USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.708 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0384) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.39 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0.435 X(o=0.44,f=-0.013) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.847) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -132:sc= 0.294 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0.812 (180deg=0.707) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 1.94 K(o=1.9,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.301 USER MOD Single : A 60 ASN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.058 K(o=-0.058,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.856 -4.822 -4.218 1.00 0.78 N ATOM 2 CA MET A 1 12.635 -5.400 -2.873 1.00 0.70 C ATOM 3 C MET A 1 11.259 -5.887 -2.575 1.00 0.62 C ATOM 4 O MET A 1 10.347 -5.670 -3.371 1.00 0.68 O ATOM 5 CB MET A 1 13.062 -4.328 -1.855 1.00 0.75 C ATOM 6 CG MET A 1 12.275 -3.026 -1.695 1.00 0.79 C ATOM 7 SD MET A 1 12.975 -1.854 -0.495 1.00 1.10 S ATOM 8 CE MET A 1 11.398 -1.149 0.065 1.00 0.84 C ATOM 0 H1 MET A 1 13.876 -4.692 -4.377 1.00 0.78 H new ATOM 0 H2 MET A 1 12.473 -5.465 -4.940 1.00 0.78 H new ATOM 0 H3 MET A 1 12.375 -3.902 -4.284 1.00 0.78 H new ATOM 0 HA MET A 1 13.231 -6.311 -2.817 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.083 -4.809 -0.877 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.088 -4.051 -2.096 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.211 -2.535 -2.666 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.256 -3.269 -1.393 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.591 -0.317 0.742 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.833 -0.792 -0.796 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.822 -1.914 0.586 1.00 0.84 H new ATOM 20 N GLN A 2 10.986 -6.624 -1.483 1.00 0.59 N ATOM 21 CA GLN A 2 9.737 -7.202 -1.095 1.00 0.56 C ATOM 22 C GLN A 2 9.122 -6.477 0.053 1.00 0.50 C ATOM 23 O GLN A 2 9.761 -6.215 1.071 1.00 0.60 O ATOM 24 CB GLN A 2 9.908 -8.689 -0.740 1.00 0.71 C ATOM 25 CG GLN A 2 8.701 -9.314 -0.037 1.00 1.15 C ATOM 26 CD GLN A 2 9.019 -10.798 0.082 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.766 -11.590 -0.823 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.625 -11.234 1.219 1.00 1.72 N ATOM 0 H GLN A 2 11.718 -6.835 -0.804 1.00 0.59 H new ATOM 0 HA GLN A 2 9.067 -7.113 -1.950 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.110 -9.247 -1.654 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.783 -8.799 -0.100 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.544 -8.867 0.945 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.788 -9.154 -0.610 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.835 -10.576 1.970 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.870 -12.219 1.321 1.00 1.72 H new ATOM 37 N ILE A 3 7.887 -6.030 -0.236 1.00 0.44 N ATOM 38 CA ILE A 3 6.985 -5.484 0.730 1.00 0.42 C ATOM 39 C ILE A 3 5.687 -6.209 0.629 1.00 0.40 C ATOM 40 O ILE A 3 5.369 -6.768 -0.420 1.00 0.50 O ATOM 41 CB ILE A 3 6.858 -3.989 0.723 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.301 -3.518 -0.632 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.166 -3.261 1.069 1.00 0.61 C ATOM 44 CD1 ILE A 3 6.163 -2.006 -0.802 1.00 0.72 C ATOM 0 H ILE A 3 7.501 -6.050 -1.180 1.00 0.44 H new ATOM 0 HA ILE A 3 7.414 -5.653 1.718 1.00 0.42 H new ATOM 0 HB ILE A 3 6.158 -3.725 1.516 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.950 -3.896 -1.422 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.321 -3.973 -0.779 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.000 -2.184 1.045 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.494 -3.556 2.066 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.933 -3.526 0.342 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.762 -1.786 -1.791 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.487 -1.615 -0.042 1.00 0.72 H new ATOM 0 HD13 ILE A 3 7.141 -1.537 -0.694 1.00 0.72 H new ATOM 56 N PHE A 4 4.921 -6.206 1.734 1.00 0.37 N ATOM 57 CA PHE A 4 3.684 -6.912 1.861 1.00 0.38 C ATOM 58 C PHE A 4 2.593 -5.976 2.253 1.00 0.39 C ATOM 59 O PHE A 4 2.823 -5.040 3.016 1.00 0.60 O ATOM 60 CB PHE A 4 3.772 -7.884 3.051 1.00 0.45 C ATOM 61 CG PHE A 4 4.783 -8.961 2.853 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.830 -9.645 1.662 1.00 1.30 C ATOM 63 CD2 PHE A 4 5.594 -9.374 3.884 1.00 1.16 C ATOM 64 CE1 PHE A 4 5.648 -10.745 1.560 1.00 1.40 C ATOM 65 CE2 PHE A 4 6.476 -10.418 3.742 1.00 1.23 C ATOM 66 CZ PHE A 4 6.393 -11.208 2.619 1.00 0.85 C ATOM 0 H PHE A 4 5.175 -5.689 2.576 1.00 0.37 H new ATOM 0 HA PHE A 4 3.493 -7.405 0.908 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.019 -7.324 3.953 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.794 -8.337 3.215 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.234 -9.324 0.820 1.00 1.30 H new ATOM 0 HD2 PHE A 4 5.536 -8.863 4.833 1.00 1.16 H new ATOM 0 HE1 PHE A 4 5.708 -11.264 0.615 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.221 -10.615 4.499 1.00 1.23 H new ATOM 0 HZ PHE A 4 6.897 -12.162 2.571 1.00 0.85 H new ATOM 76 N VAL A 5 1.383 -6.056 1.671 1.00 0.35 N ATOM 77 CA VAL A 5 0.203 -5.289 1.921 1.00 0.35 C ATOM 78 C VAL A 5 -0.822 -6.247 2.424 1.00 0.35 C ATOM 79 O VAL A 5 -1.434 -6.949 1.620 1.00 0.46 O ATOM 80 CB VAL A 5 -0.313 -4.521 0.740 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.548 -3.704 1.156 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.835 -3.697 0.134 1.00 0.56 C ATOM 0 H VAL A 5 1.217 -6.744 0.936 1.00 0.35 H new ATOM 0 HA VAL A 5 0.443 -4.513 2.648 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.657 -5.185 -0.053 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.922 -3.147 0.297 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.325 -4.378 1.517 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.274 -3.008 1.949 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.466 -3.136 -0.725 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.219 -3.004 0.882 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.634 -4.366 -0.185 1.00 0.56 H new ATOM 92 N LYS A 6 -1.036 -6.263 3.752 1.00 0.36 N ATOM 93 CA LYS A 6 -2.014 -7.123 4.343 1.00 0.39 C ATOM 94 C LYS A 6 -3.393 -6.563 4.265 1.00 0.46 C ATOM 95 O LYS A 6 -3.631 -5.363 4.390 1.00 0.53 O ATOM 96 CB LYS A 6 -1.699 -7.472 5.807 1.00 0.54 C ATOM 97 CG LYS A 6 -0.420 -8.309 5.888 1.00 1.22 C ATOM 98 CD LYS A 6 -0.077 -8.885 7.263 1.00 1.37 C ATOM 99 CE LYS A 6 -1.077 -9.814 7.956 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.486 -10.519 9.115 1.00 2.09 N ATOM 0 H LYS A 6 -0.530 -5.679 4.418 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.969 -8.037 3.750 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.581 -6.558 6.389 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.531 -8.023 6.244 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.506 -9.135 5.182 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.415 -7.692 5.557 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.862 -9.429 7.165 1.00 1.37 H new ATOM 0 HD3 LYS A 6 0.109 -8.046 7.933 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.938 -9.233 8.288 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.445 -10.547 7.238 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.203 -11.135 9.549 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.319 -11.096 8.797 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.158 -9.823 9.815 1.00 2.09 H new ATOM 114 N THR A 7 -4.386 -7.423 3.977 1.00 0.58 N ATOM 115 CA THR A 7 -5.765 -7.065 3.844 1.00 0.78 C ATOM 116 C THR A 7 -6.560 -7.386 5.062 1.00 0.94 C ATOM 117 O THR A 7 -6.048 -7.813 6.096 1.00 0.99 O ATOM 118 CB THR A 7 -6.322 -7.840 2.688 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.443 -9.238 2.900 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.464 -7.653 1.425 1.00 0.92 C ATOM 0 H THR A 7 -4.219 -8.418 3.829 1.00 0.58 H new ATOM 0 HA THR A 7 -5.829 -5.988 3.691 1.00 0.78 H new ATOM 0 HB THR A 7 -7.324 -7.428 2.570 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.815 -9.660 2.097 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.894 -8.228 0.605 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.439 -6.597 1.155 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.450 -8.001 1.619 1.00 0.92 H new ATOM 128 N LEU A 8 -7.891 -7.222 5.168 1.00 1.17 N ATOM 129 CA LEU A 8 -8.631 -7.575 6.340 1.00 1.39 C ATOM 130 C LEU A 8 -8.846 -9.048 6.418 1.00 1.44 C ATOM 131 O LEU A 8 -8.787 -9.658 7.484 1.00 1.60 O ATOM 132 CB LEU A 8 -10.070 -7.038 6.405 1.00 1.66 C ATOM 133 CG LEU A 8 -10.140 -5.505 6.514 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.601 -5.061 6.705 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.455 -5.033 7.808 1.00 2.43 C ATOM 0 H LEU A 8 -8.467 -6.834 4.421 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.016 -7.147 7.132 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.611 -7.358 5.514 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.578 -7.480 7.262 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.678 -5.101 5.613 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.644 -3.975 6.782 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.195 -5.389 5.852 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.000 -5.505 7.617 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.511 -3.946 7.874 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.958 -5.475 8.668 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.410 -5.343 7.800 1.00 2.43 H new ATOM 147 N THR A 9 -9.197 -9.622 5.253 1.00 1.41 N ATOM 148 CA THR A 9 -9.688 -10.951 5.065 1.00 1.51 C ATOM 149 C THR A 9 -8.623 -11.966 5.302 1.00 1.37 C ATOM 150 O THR A 9 -8.851 -13.151 5.540 1.00 1.62 O ATOM 151 CB THR A 9 -10.362 -11.261 3.760 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.663 -10.923 2.571 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.609 -10.364 3.807 1.00 2.08 C ATOM 0 H THR A 9 -9.131 -9.113 4.372 1.00 1.41 H new ATOM 0 HA THR A 9 -10.477 -11.006 5.815 1.00 1.51 H new ATOM 0 HB THR A 9 -10.498 -12.340 3.694 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.202 -11.174 1.792 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.191 -10.502 2.896 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.217 -10.632 4.671 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.304 -9.321 3.888 1.00 2.08 H new ATOM 161 N GLY A 10 -7.366 -11.488 5.276 1.00 1.18 N ATOM 162 CA GLY A 10 -6.186 -12.199 5.661 1.00 1.22 C ATOM 163 C GLY A 10 -5.296 -12.645 4.551 1.00 0.99 C ATOM 164 O GLY A 10 -4.611 -13.664 4.620 1.00 1.31 O ATOM 0 H GLY A 10 -7.161 -10.539 4.964 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.606 -11.564 6.331 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.486 -13.077 6.234 1.00 1.22 H new ATOM 168 N LYS A 11 -5.254 -11.818 3.491 1.00 0.73 N ATOM 169 CA LYS A 11 -4.473 -12.114 2.330 1.00 0.60 C ATOM 170 C LYS A 11 -3.354 -11.134 2.413 1.00 0.51 C ATOM 171 O LYS A 11 -3.508 -10.042 2.959 1.00 0.63 O ATOM 172 CB LYS A 11 -5.261 -12.098 1.009 1.00 0.75 C ATOM 173 CG LYS A 11 -4.585 -12.590 -0.272 1.00 0.87 C ATOM 174 CD LYS A 11 -5.499 -12.328 -1.470 1.00 1.04 C ATOM 175 CE LYS A 11 -4.622 -12.513 -2.711 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.531 -12.605 -3.875 1.00 1.40 N ATOM 0 H LYS A 11 -5.766 -10.937 3.438 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.112 -13.142 2.320 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.159 -12.697 1.156 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.587 -11.073 0.834 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.632 -12.080 -0.411 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.368 -13.655 -0.194 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.340 -13.021 -1.479 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.915 -11.321 -1.432 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.934 -11.676 -2.825 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.016 -13.414 -2.623 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.002 -12.948 -4.702 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.304 -13.266 -3.660 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.926 -11.666 -4.082 1.00 1.40 H new ATOM 190 N THR A 12 -2.209 -11.607 1.890 1.00 0.49 N ATOM 191 CA THR A 12 -0.995 -10.851 1.872 1.00 0.48 C ATOM 192 C THR A 12 -0.594 -10.611 0.458 1.00 0.52 C ATOM 193 O THR A 12 -0.314 -11.585 -0.238 1.00 0.72 O ATOM 194 CB THR A 12 0.064 -11.560 2.663 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.193 -11.738 4.049 1.00 0.77 O ATOM 196 CG2 THR A 12 1.409 -10.815 2.664 1.00 0.78 C ATOM 0 H THR A 12 -2.124 -12.533 1.471 1.00 0.49 H new ATOM 0 HA THR A 12 -1.141 -9.880 2.345 1.00 0.48 H new ATOM 0 HB THR A 12 0.078 -12.519 2.146 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.559 -12.211 4.463 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.135 -11.376 3.252 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.770 -10.715 1.641 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.276 -9.825 3.100 1.00 0.78 H new ATOM 204 N ILE A 13 -0.481 -9.343 0.022 1.00 0.48 N ATOM 205 CA ILE A 13 -0.111 -8.891 -1.283 1.00 0.55 C ATOM 206 C ILE A 13 1.326 -8.502 -1.358 1.00 0.51 C ATOM 207 O ILE A 13 1.832 -7.480 -0.897 1.00 0.56 O ATOM 208 CB ILE A 13 -0.973 -7.799 -1.843 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.467 -7.959 -1.520 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.810 -7.641 -3.364 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.055 -9.322 -1.883 1.00 1.55 C ATOM 0 H ILE A 13 -0.668 -8.559 0.648 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.280 -9.762 -1.916 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.614 -6.899 -1.343 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.615 -7.787 -0.454 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -3.024 -7.185 -2.048 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.456 -6.837 -3.718 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.228 -7.401 -3.596 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.086 -8.572 -3.858 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.113 -9.344 -1.620 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.944 -9.493 -2.954 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.529 -10.103 -1.335 1.00 1.55 H new ATOM 223 N THR A 14 2.130 -9.324 -2.053 1.00 0.55 N ATOM 224 CA THR A 14 3.545 -9.129 -2.128 1.00 0.54 C ATOM 225 C THR A 14 3.786 -8.165 -3.237 1.00 0.55 C ATOM 226 O THR A 14 3.264 -8.274 -4.345 1.00 0.72 O ATOM 227 CB THR A 14 4.263 -10.347 -2.629 1.00 0.67 C ATOM 228 OG1 THR A 14 4.153 -11.414 -1.698 1.00 1.08 O ATOM 229 CG2 THR A 14 5.768 -10.180 -2.894 1.00 1.03 C ATOM 0 H THR A 14 1.794 -10.136 -2.571 1.00 0.55 H new ATOM 0 HA THR A 14 3.883 -8.837 -1.134 1.00 0.54 H new ATOM 0 HB THR A 14 3.770 -10.544 -3.581 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.626 -12.200 -2.043 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.181 -11.123 -3.252 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.921 -9.407 -3.647 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.270 -9.891 -1.971 1.00 1.03 H new ATOM 237 N LEU A 15 4.723 -7.217 -3.055 1.00 0.50 N ATOM 238 CA LEU A 15 5.056 -6.315 -4.114 1.00 0.55 C ATOM 239 C LEU A 15 6.524 -6.363 -4.365 1.00 0.52 C ATOM 240 O LEU A 15 7.345 -6.600 -3.480 1.00 0.58 O ATOM 241 CB LEU A 15 4.576 -4.884 -3.816 1.00 0.69 C ATOM 242 CG LEU A 15 3.136 -4.717 -3.305 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.879 -3.248 -2.930 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.932 -5.207 -4.128 1.00 1.55 C ATOM 0 H LEU A 15 5.243 -7.076 -2.189 1.00 0.50 H new ATOM 0 HA LEU A 15 4.536 -6.631 -5.018 1.00 0.55 H new ATOM 0 HB2 LEU A 15 5.249 -4.449 -3.077 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.681 -4.296 -4.728 1.00 0.69 H new ATOM 0 HG LEU A 15 3.153 -5.421 -2.473 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.856 -3.138 -2.569 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.575 -2.945 -2.147 1.00 1.38 H new ATOM 0 HD13 LEU A 15 3.023 -2.618 -3.808 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.010 -4.993 -3.587 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.916 -4.695 -5.090 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.016 -6.282 -4.291 1.00 1.55 H new ATOM 256 N GLU A 16 6.901 -6.182 -5.644 1.00 0.59 N ATOM 257 CA GLU A 16 8.206 -5.865 -6.133 1.00 0.63 C ATOM 258 C GLU A 16 8.320 -4.408 -6.426 1.00 0.65 C ATOM 259 O GLU A 16 7.827 -3.914 -7.440 1.00 0.81 O ATOM 260 CB GLU A 16 8.466 -6.566 -7.478 1.00 0.76 C ATOM 261 CG GLU A 16 9.951 -6.438 -7.823 1.00 1.41 C ATOM 262 CD GLU A 16 10.880 -6.777 -6.666 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.029 -7.969 -6.287 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.603 -5.824 -6.271 1.00 1.95 O ATOM 0 H GLU A 16 6.227 -6.266 -6.405 1.00 0.59 H new ATOM 0 HA GLU A 16 8.911 -6.182 -5.364 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.182 -7.617 -7.417 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.857 -6.116 -8.262 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.177 -7.094 -8.663 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.152 -5.418 -8.152 1.00 1.41 H new ATOM 271 N VAL A 17 8.996 -3.616 -5.576 1.00 0.61 N ATOM 272 CA VAL A 17 9.224 -2.216 -5.753 1.00 0.63 C ATOM 273 C VAL A 17 10.679 -1.899 -5.692 1.00 0.65 C ATOM 274 O VAL A 17 11.496 -2.723 -5.286 1.00 0.76 O ATOM 275 CB VAL A 17 8.609 -1.366 -4.680 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.082 -1.533 -4.624 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.198 -1.658 -3.289 1.00 0.92 C ATOM 0 H VAL A 17 9.408 -3.975 -4.714 1.00 0.61 H new ATOM 0 HA VAL A 17 8.776 -1.995 -6.722 1.00 0.63 H new ATOM 0 HB VAL A 17 8.848 -0.337 -4.948 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.676 -0.901 -3.834 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.649 -1.242 -5.581 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.837 -2.575 -4.417 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.719 -1.017 -2.549 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.023 -2.703 -3.032 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.270 -1.462 -3.299 1.00 0.92 H new ATOM 287 N GLU A 18 10.961 -0.605 -5.931 1.00 0.68 N ATOM 288 CA GLU A 18 12.224 -0.052 -5.556 1.00 0.74 C ATOM 289 C GLU A 18 11.863 0.957 -4.522 1.00 0.71 C ATOM 290 O GLU A 18 10.719 1.410 -4.545 1.00 0.74 O ATOM 291 CB GLU A 18 12.841 0.684 -6.758 1.00 0.88 C ATOM 292 CG GLU A 18 14.299 1.037 -6.459 1.00 1.16 C ATOM 293 CD GLU A 18 14.946 1.780 -7.619 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.865 1.428 -8.826 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.342 2.951 -7.376 1.00 2.33 O ATOM 0 H GLU A 18 10.322 0.051 -6.379 1.00 0.68 H new ATOM 0 HA GLU A 18 12.934 -0.805 -5.214 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.785 0.057 -7.648 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.274 1.591 -6.971 1.00 0.88 H new ATOM 0 HG2 GLU A 18 14.348 1.652 -5.560 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.860 0.125 -6.253 1.00 1.16 H new ATOM 302 N PRO A 19 12.624 1.416 -3.573 1.00 0.74 N ATOM 303 CA PRO A 19 12.140 2.306 -2.559 1.00 0.74 C ATOM 304 C PRO A 19 11.947 3.690 -3.076 1.00 0.70 C ATOM 305 O PRO A 19 11.578 4.547 -2.274 1.00 0.74 O ATOM 306 CB PRO A 19 13.114 2.165 -1.392 1.00 0.86 C ATOM 307 CG PRO A 19 14.404 1.553 -1.961 1.00 0.95 C ATOM 308 CD PRO A 19 13.783 0.691 -3.072 1.00 0.82 C ATOM 0 HA PRO A 19 11.138 2.051 -2.215 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.314 3.135 -0.937 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.695 1.528 -0.613 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.094 2.304 -2.345 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.952 0.964 -1.226 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.503 0.514 -3.871 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.490 -0.285 -2.685 1.00 0.82 H new ATOM 316 N SER A 20 12.107 3.969 -4.382 1.00 0.70 N ATOM 317 CA SER A 20 11.968 5.204 -5.090 1.00 0.74 C ATOM 318 C SER A 20 10.597 5.294 -5.665 1.00 0.71 C ATOM 319 O SER A 20 10.159 6.350 -6.120 1.00 0.80 O ATOM 320 CB SER A 20 12.916 5.355 -6.292 1.00 0.89 C ATOM 321 OG SER A 20 12.710 4.220 -7.118 1.00 1.45 O ATOM 0 H SER A 20 12.370 3.222 -5.025 1.00 0.70 H new ATOM 0 HA SER A 20 12.195 5.975 -4.354 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.705 6.275 -6.838 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.953 5.411 -5.962 1.00 0.89 H new ATOM 0 HG SER A 20 13.576 3.832 -7.363 1.00 1.45 H new ATOM 327 N ASP A 21 9.786 4.222 -5.621 1.00 0.70 N ATOM 328 CA ASP A 21 8.420 4.146 -6.035 1.00 0.73 C ATOM 329 C ASP A 21 7.608 4.895 -5.037 1.00 0.64 C ATOM 330 O ASP A 21 7.762 4.840 -3.818 1.00 0.66 O ATOM 331 CB ASP A 21 7.946 2.685 -6.109 1.00 0.87 C ATOM 332 CG ASP A 21 8.454 2.012 -7.377 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.932 2.341 -8.476 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.324 1.104 -7.298 1.00 1.69 O ATOM 0 H ASP A 21 10.120 3.327 -5.262 1.00 0.70 H new ATOM 0 HA ASP A 21 8.309 4.576 -7.030 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.301 2.139 -5.235 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.857 2.650 -6.086 1.00 0.87 H new ATOM 339 N THR A 22 6.723 5.706 -5.646 1.00 0.63 N ATOM 340 CA THR A 22 5.739 6.445 -4.919 1.00 0.58 C ATOM 341 C THR A 22 4.595 5.572 -4.534 1.00 0.53 C ATOM 342 O THR A 22 4.284 4.513 -5.077 1.00 0.58 O ATOM 343 CB THR A 22 5.255 7.623 -5.713 1.00 0.63 C ATOM 344 OG1 THR A 22 4.469 7.241 -6.831 1.00 0.70 O ATOM 345 CG2 THR A 22 6.359 8.611 -6.127 1.00 0.75 C ATOM 0 H THR A 22 6.691 5.850 -6.655 1.00 0.63 H new ATOM 0 HA THR A 22 6.209 6.817 -4.008 1.00 0.58 H new ATOM 0 HB THR A 22 4.614 8.165 -5.018 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.177 8.042 -7.314 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.919 9.430 -6.696 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.845 9.008 -5.236 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.096 8.096 -6.743 1.00 0.75 H new ATOM 353 N ILE A 23 3.810 6.001 -3.529 1.00 0.51 N ATOM 354 CA ILE A 23 2.676 5.207 -3.173 1.00 0.48 C ATOM 355 C ILE A 23 1.602 5.094 -4.200 1.00 0.48 C ATOM 356 O ILE A 23 0.937 4.083 -4.422 1.00 0.51 O ATOM 357 CB ILE A 23 2.076 5.681 -1.883 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.153 6.051 -0.850 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.004 4.734 -1.316 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.127 4.919 -0.521 1.00 0.73 C ATOM 0 H ILE A 23 3.949 6.854 -2.987 1.00 0.51 H new ATOM 0 HA ILE A 23 3.089 4.203 -3.075 1.00 0.48 H new ATOM 0 HB ILE A 23 1.539 6.599 -2.122 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.719 6.904 -1.223 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.663 6.371 0.069 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.615 5.142 -0.383 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.191 4.633 -2.035 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.446 3.755 -1.128 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.852 5.266 0.215 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.575 4.071 -0.115 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.648 4.613 -1.428 1.00 0.73 H new ATOM 372 N GLU A 24 1.406 6.137 -5.027 1.00 0.50 N ATOM 373 CA GLU A 24 0.747 6.108 -6.296 1.00 0.53 C ATOM 374 C GLU A 24 1.051 4.915 -7.136 1.00 0.50 C ATOM 375 O GLU A 24 0.145 4.168 -7.503 1.00 0.55 O ATOM 376 CB GLU A 24 0.954 7.421 -7.070 1.00 0.64 C ATOM 377 CG GLU A 24 -0.003 7.669 -8.237 1.00 0.95 C ATOM 378 CD GLU A 24 0.223 9.006 -8.929 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.153 9.720 -8.470 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.522 9.319 -9.895 1.00 1.56 O ATOM 0 H GLU A 24 1.735 7.073 -4.788 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.312 6.011 -6.058 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.864 8.251 -6.369 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.974 7.437 -7.453 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.109 6.867 -8.966 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.029 7.626 -7.872 1.00 0.95 H new ATOM 387 N ASN A 25 2.358 4.677 -7.342 1.00 0.51 N ATOM 388 CA ASN A 25 2.852 3.507 -8.001 1.00 0.52 C ATOM 389 C ASN A 25 2.493 2.197 -7.388 1.00 0.47 C ATOM 390 O ASN A 25 2.162 1.190 -8.013 1.00 0.53 O ATOM 391 CB ASN A 25 4.387 3.444 -8.083 1.00 0.64 C ATOM 392 CG ASN A 25 5.031 4.534 -8.927 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.362 5.367 -9.536 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.390 4.543 -8.966 1.00 1.57 N ATOM 0 H ASN A 25 3.093 5.317 -7.042 1.00 0.51 H new ATOM 0 HA ASN A 25 2.365 3.628 -8.969 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.792 3.500 -7.073 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.675 2.474 -8.488 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.880 5.253 -9.510 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.920 3.840 -8.451 1.00 1.57 H new ATOM 401 N VAL A 26 2.510 2.144 -6.045 1.00 0.45 N ATOM 402 CA VAL A 26 2.232 1.050 -5.166 1.00 0.44 C ATOM 403 C VAL A 26 0.831 0.549 -5.251 1.00 0.40 C ATOM 404 O VAL A 26 0.639 -0.655 -5.414 1.00 0.44 O ATOM 405 CB VAL A 26 2.730 1.368 -3.788 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.432 0.219 -2.810 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.253 1.523 -3.929 1.00 0.62 C ATOM 0 H VAL A 26 2.750 2.979 -5.510 1.00 0.45 H new ATOM 0 HA VAL A 26 2.794 0.179 -5.503 1.00 0.44 H new ATOM 0 HB VAL A 26 2.246 2.263 -3.397 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.805 0.479 -1.819 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.356 0.053 -2.761 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.924 -0.690 -3.156 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.686 1.757 -2.957 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.680 0.592 -4.302 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.473 2.330 -4.628 1.00 0.62 H new ATOM 417 N LYS A 27 -0.094 1.522 -5.319 1.00 0.40 N ATOM 418 CA LYS A 27 -1.479 1.229 -5.527 1.00 0.41 C ATOM 419 C LYS A 27 -1.816 0.726 -6.888 1.00 0.38 C ATOM 420 O LYS A 27 -2.651 -0.171 -6.988 1.00 0.42 O ATOM 421 CB LYS A 27 -2.347 2.373 -4.976 1.00 0.51 C ATOM 422 CG LYS A 27 -1.979 2.600 -3.508 1.00 0.76 C ATOM 423 CD LYS A 27 -2.758 3.684 -2.761 1.00 0.82 C ATOM 424 CE LYS A 27 -2.890 5.047 -3.444 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.605 6.020 -2.588 1.00 1.11 N ATOM 0 H LYS A 27 0.117 2.516 -5.230 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.734 0.349 -4.936 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.183 3.284 -5.552 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.404 2.124 -5.067 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.111 1.658 -2.975 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.919 2.848 -3.458 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.761 3.305 -2.566 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.281 3.836 -1.793 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.899 5.432 -3.683 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.423 4.931 -4.388 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.500 6.975 -2.986 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.614 5.771 -2.547 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.204 5.999 -1.629 1.00 1.11 H new ATOM 439 N ALA A 28 -1.126 1.175 -7.952 1.00 0.39 N ATOM 440 CA ALA A 28 -1.238 0.596 -9.255 1.00 0.39 C ATOM 441 C ALA A 28 -0.793 -0.822 -9.360 1.00 0.36 C ATOM 442 O ALA A 28 -1.470 -1.614 -10.012 1.00 0.42 O ATOM 443 CB ALA A 28 -0.431 1.421 -10.271 1.00 0.51 C ATOM 0 H ALA A 28 -0.475 1.959 -7.906 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.307 0.608 -9.468 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.523 0.972 -11.260 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.815 2.441 -10.299 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.618 1.436 -9.976 1.00 0.51 H new ATOM 449 N LYS A 29 0.231 -1.267 -8.610 1.00 0.39 N ATOM 450 CA LYS A 29 0.679 -2.617 -8.471 1.00 0.43 C ATOM 451 C LYS A 29 -0.288 -3.634 -7.970 1.00 0.44 C ATOM 452 O LYS A 29 -0.397 -4.809 -8.315 1.00 0.54 O ATOM 453 CB LYS A 29 2.028 -2.557 -7.736 1.00 0.54 C ATOM 454 CG LYS A 29 3.201 -1.995 -8.542 1.00 0.65 C ATOM 455 CD LYS A 29 4.492 -1.616 -7.812 1.00 1.08 C ATOM 456 CE LYS A 29 5.164 -0.374 -8.401 1.00 1.24 C ATOM 457 NZ LYS A 29 5.715 -0.651 -9.747 1.00 1.44 N ATOM 0 H LYS A 29 0.793 -0.624 -8.053 1.00 0.39 H new ATOM 0 HA LYS A 29 0.797 -3.037 -9.470 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.905 -1.951 -6.839 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.287 -3.564 -7.408 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.458 -2.731 -9.304 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.845 -1.106 -9.064 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.270 -1.439 -6.760 1.00 1.08 H new ATOM 0 HD3 LYS A 29 5.187 -2.454 -7.854 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.441 0.440 -8.461 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.964 -0.042 -7.739 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.165 0.209 -10.122 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.422 -1.411 -9.683 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.946 -0.945 -10.383 1.00 1.44 H new ATOM 471 N ILE A 30 -1.141 -3.026 -7.126 1.00 0.41 N ATOM 472 CA ILE A 30 -2.202 -3.745 -6.491 1.00 0.44 C ATOM 473 C ILE A 30 -3.386 -3.817 -7.394 1.00 0.45 C ATOM 474 O ILE A 30 -4.075 -4.831 -7.486 1.00 0.56 O ATOM 475 CB ILE A 30 -2.471 -3.182 -5.127 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.247 -3.096 -4.200 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.555 -4.068 -4.490 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.312 -2.106 -3.040 1.00 1.32 C ATOM 0 H ILE A 30 -1.096 -2.036 -6.883 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.913 -4.781 -6.316 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.784 -2.145 -5.252 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.068 -4.088 -3.786 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.380 -2.844 -4.810 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.787 -3.698 -3.491 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.455 -4.041 -5.105 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.193 -5.094 -4.422 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.384 -2.151 -2.471 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.450 -1.097 -3.430 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.149 -2.362 -2.390 1.00 1.32 H new ATOM 490 N GLN A 31 -3.673 -2.825 -8.253 1.00 0.41 N ATOM 491 CA GLN A 31 -4.744 -2.825 -9.202 1.00 0.48 C ATOM 492 C GLN A 31 -4.642 -3.876 -10.253 1.00 0.52 C ATOM 493 O GLN A 31 -5.656 -4.490 -10.577 1.00 0.66 O ATOM 494 CB GLN A 31 -4.811 -1.469 -9.926 1.00 0.52 C ATOM 495 CG GLN A 31 -5.948 -1.347 -10.943 1.00 0.70 C ATOM 496 CD GLN A 31 -6.086 0.027 -11.585 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.220 0.496 -11.669 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.041 0.631 -12.212 1.00 1.43 N ATOM 0 H GLN A 31 -3.122 -1.967 -8.288 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.637 -3.028 -8.610 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.920 -0.680 -9.182 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.864 -1.297 -10.437 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.794 -2.086 -11.729 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.887 -1.598 -10.449 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.104 0.236 -12.137 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.195 1.479 -12.757 1.00 1.43 H new ATOM 507 N ASP A 32 -3.410 -4.213 -10.676 1.00 0.50 N ATOM 508 CA ASP A 32 -3.089 -5.346 -11.487 1.00 0.60 C ATOM 509 C ASP A 32 -3.366 -6.648 -10.818 1.00 0.65 C ATOM 510 O ASP A 32 -4.000 -7.491 -11.450 1.00 0.81 O ATOM 511 CB ASP A 32 -1.632 -5.259 -11.969 1.00 0.67 C ATOM 512 CG ASP A 32 -1.513 -4.049 -12.885 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.111 -4.100 -13.993 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.614 -3.247 -12.513 1.00 1.51 O ATOM 0 H ASP A 32 -2.588 -3.659 -10.436 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.751 -5.315 -12.352 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.955 -5.163 -11.120 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.351 -6.168 -12.500 1.00 0.67 H new ATOM 519 N LYS A 33 -2.969 -6.882 -9.554 1.00 0.62 N ATOM 520 CA LYS A 33 -3.206 -8.137 -8.909 1.00 0.73 C ATOM 521 C LYS A 33 -4.613 -8.335 -8.462 1.00 0.69 C ATOM 522 O LYS A 33 -5.240 -9.284 -8.931 1.00 0.83 O ATOM 523 CB LYS A 33 -2.332 -8.324 -7.658 1.00 0.85 C ATOM 524 CG LYS A 33 -0.871 -8.139 -8.077 1.00 1.31 C ATOM 525 CD LYS A 33 0.061 -8.271 -6.872 1.00 1.71 C ATOM 526 CE LYS A 33 1.491 -7.936 -7.302 1.00 2.26 C ATOM 527 NZ LYS A 33 2.152 -9.022 -8.060 1.00 2.62 N ATOM 0 H LYS A 33 -2.481 -6.198 -8.976 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.960 -8.864 -9.683 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.604 -7.600 -6.890 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.484 -9.315 -7.230 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.607 -8.882 -8.830 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.741 -7.159 -8.537 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.258 -7.600 -6.075 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.017 -9.284 -6.472 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.475 -7.034 -7.914 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.084 -7.710 -6.416 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.115 -8.728 -8.319 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.198 -9.878 -7.471 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.608 -9.224 -8.923 1.00 2.62 H new ATOM 541 N GLU A 34 -5.148 -7.511 -7.544 1.00 0.63 N ATOM 542 CA GLU A 34 -6.419 -7.715 -6.921 1.00 0.67 C ATOM 543 C GLU A 34 -7.559 -7.088 -7.648 1.00 0.69 C ATOM 544 O GLU A 34 -8.708 -7.496 -7.482 1.00 0.95 O ATOM 545 CB GLU A 34 -6.364 -7.208 -5.471 1.00 0.73 C ATOM 546 CG GLU A 34 -5.205 -7.815 -4.677 1.00 0.83 C ATOM 547 CD GLU A 34 -5.200 -9.336 -4.693 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.287 -9.903 -4.402 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.123 -9.837 -5.114 1.00 1.37 O ATOM 0 H GLU A 34 -4.675 -6.667 -7.222 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.611 -8.788 -6.945 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.268 -6.122 -5.473 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.304 -7.444 -4.972 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.263 -7.451 -5.086 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.260 -7.469 -3.645 1.00 0.83 H new ATOM 556 N GLY A 35 -7.302 -6.121 -8.546 1.00 0.63 N ATOM 557 CA GLY A 35 -8.284 -5.646 -9.471 1.00 0.68 C ATOM 558 C GLY A 35 -8.947 -4.410 -8.968 1.00 0.76 C ATOM 559 O GLY A 35 -9.917 -3.905 -9.530 1.00 1.12 O ATOM 0 H GLY A 35 -6.396 -5.660 -8.632 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.813 -5.443 -10.433 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.033 -6.420 -9.640 1.00 0.68 H new ATOM 563 N ILE A 36 -8.385 -3.762 -7.932 1.00 0.70 N ATOM 564 CA ILE A 36 -9.000 -2.642 -7.289 1.00 0.76 C ATOM 565 C ILE A 36 -8.484 -1.323 -7.753 1.00 0.71 C ATOM 566 O ILE A 36 -7.286 -1.084 -7.608 1.00 0.73 O ATOM 567 CB ILE A 36 -8.968 -2.775 -5.795 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.729 -4.052 -5.399 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.574 -1.602 -5.007 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.837 -4.189 -3.882 1.00 1.16 C ATOM 0 H ILE A 36 -7.483 -4.022 -7.532 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.045 -2.659 -7.597 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.910 -2.800 -5.532 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.727 -4.033 -5.836 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.218 -4.923 -5.809 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.498 -1.804 -3.939 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.032 -0.686 -5.243 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.623 -1.483 -5.280 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -10.380 -5.102 -3.637 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.838 -4.234 -3.449 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -10.370 -3.329 -3.476 1.00 1.16 H new ATOM 582 N PRO A 37 -9.270 -0.335 -8.063 1.00 0.75 N ATOM 583 CA PRO A 37 -8.676 0.948 -8.298 1.00 0.79 C ATOM 584 C PRO A 37 -7.962 1.750 -7.264 1.00 0.75 C ATOM 585 O PRO A 37 -8.342 1.690 -6.095 1.00 0.75 O ATOM 586 CB PRO A 37 -9.794 1.858 -8.800 1.00 0.95 C ATOM 587 CG PRO A 37 -10.742 0.843 -9.459 1.00 1.02 C ATOM 588 CD PRO A 37 -10.574 -0.477 -8.692 1.00 0.85 C ATOM 0 HA PRO A 37 -7.853 0.654 -8.949 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.276 2.402 -7.988 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.431 2.601 -9.510 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.774 1.190 -9.412 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.498 0.712 -10.513 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.364 -0.617 -7.954 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.607 -1.338 -9.360 1.00 0.85 H new ATOM 596 N PRO A 38 -6.913 2.479 -7.504 1.00 0.81 N ATOM 597 CA PRO A 38 -6.223 3.256 -6.517 1.00 0.85 C ATOM 598 C PRO A 38 -7.034 4.343 -5.899 1.00 0.89 C ATOM 599 O PRO A 38 -6.707 4.716 -4.774 1.00 0.99 O ATOM 600 CB PRO A 38 -5.052 3.918 -7.241 1.00 1.01 C ATOM 601 CG PRO A 38 -4.659 2.794 -8.213 1.00 1.25 C ATOM 602 CD PRO A 38 -6.046 2.305 -8.659 1.00 0.98 C ATOM 0 HA PRO A 38 -5.942 2.584 -5.706 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.346 4.831 -7.759 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.241 4.183 -6.563 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.061 3.159 -9.048 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.080 2.009 -7.726 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.409 2.880 -9.511 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.012 1.261 -8.970 1.00 0.98 H new ATOM 610 N ASP A 39 -8.115 4.787 -6.566 1.00 0.96 N ATOM 611 CA ASP A 39 -9.096 5.643 -5.975 1.00 1.11 C ATOM 612 C ASP A 39 -9.866 5.081 -4.829 1.00 1.00 C ATOM 613 O ASP A 39 -10.361 5.798 -3.961 1.00 1.14 O ATOM 614 CB ASP A 39 -9.962 6.193 -7.121 1.00 1.39 C ATOM 615 CG ASP A 39 -10.655 7.511 -6.807 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.938 8.434 -6.335 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.908 7.555 -6.936 1.00 2.25 O ATOM 0 H ASP A 39 -8.311 4.546 -7.537 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.579 6.455 -5.463 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.335 6.327 -8.002 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.718 5.451 -7.378 1.00 1.39 H new ATOM 622 N GLN A 40 -9.946 3.746 -4.686 1.00 0.87 N ATOM 623 CA GLN A 40 -10.632 3.068 -3.630 1.00 0.84 C ATOM 624 C GLN A 40 -9.567 2.800 -2.622 1.00 0.67 C ATOM 625 O GLN A 40 -9.838 2.891 -1.426 1.00 0.80 O ATOM 626 CB GLN A 40 -11.369 1.778 -4.024 1.00 0.95 C ATOM 627 CG GLN A 40 -12.453 1.965 -5.087 1.00 1.32 C ATOM 628 CD GLN A 40 -13.198 0.701 -5.490 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.852 -0.275 -4.825 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.028 0.717 -6.567 1.00 2.02 N ATOM 0 H GLN A 40 -9.507 3.104 -5.345 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.449 3.691 -3.266 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.640 1.056 -4.390 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.824 1.347 -3.132 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.177 2.691 -4.719 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.994 2.395 -5.977 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.239 1.598 -7.036 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.440 -0.152 -6.906 1.00 2.02 H new ATOM 639 N GLN A 41 -8.340 2.446 -3.041 1.00 0.56 N ATOM 640 CA GLN A 41 -7.312 2.005 -2.151 1.00 0.51 C ATOM 641 C GLN A 41 -6.600 3.107 -1.444 1.00 0.49 C ATOM 642 O GLN A 41 -6.098 4.054 -2.048 1.00 0.65 O ATOM 643 CB GLN A 41 -6.188 1.446 -3.040 1.00 0.67 C ATOM 644 CG GLN A 41 -6.444 0.155 -3.819 1.00 0.69 C ATOM 645 CD GLN A 41 -5.139 -0.259 -4.484 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.089 -0.206 -3.846 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.098 -0.557 -5.810 1.00 0.61 N ATOM 0 H GLN A 41 -8.055 2.467 -4.020 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.792 1.334 -1.439 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.920 2.219 -3.760 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.316 1.283 -2.407 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.797 -0.630 -3.150 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.221 0.309 -4.568 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.963 -0.604 -6.349 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.203 -0.734 -6.266 1.00 0.61 H new ATOM 656 N ARG A 42 -6.462 2.930 -0.118 1.00 0.47 N ATOM 657 CA ARG A 42 -5.675 3.693 0.801 1.00 0.55 C ATOM 658 C ARG A 42 -4.769 2.699 1.444 1.00 0.46 C ATOM 659 O ARG A 42 -5.041 1.501 1.488 1.00 0.52 O ATOM 660 CB ARG A 42 -6.402 4.435 1.935 1.00 0.73 C ATOM 661 CG ARG A 42 -7.254 5.512 1.261 1.00 1.04 C ATOM 662 CD ARG A 42 -7.518 6.575 2.328 1.00 1.28 C ATOM 663 NE ARG A 42 -8.122 7.772 1.678 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.722 8.776 2.384 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.144 8.681 3.678 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.838 9.970 1.733 1.00 2.78 N ATOM 0 H ARG A 42 -6.954 2.173 0.357 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.214 4.490 0.217 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.024 3.751 2.512 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.689 4.880 2.629 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.734 5.941 0.404 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.189 5.093 0.889 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.188 6.183 3.093 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.588 6.846 2.828 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.086 7.845 0.661 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.020 7.809 4.192 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.584 9.482 4.131 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.487 10.068 0.780 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.276 10.765 2.199 1.00 2.78 H new ATOM 680 N LEU A 43 -3.575 3.132 1.886 1.00 0.46 N ATOM 681 CA LEU A 43 -2.626 2.322 2.586 1.00 0.42 C ATOM 682 C LEU A 43 -2.265 3.055 3.831 1.00 0.43 C ATOM 683 O LEU A 43 -1.941 4.241 3.871 1.00 0.55 O ATOM 684 CB LEU A 43 -1.319 2.019 1.835 1.00 0.55 C ATOM 685 CG LEU A 43 -1.489 1.173 0.562 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.124 1.131 -0.146 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.106 -0.214 0.804 1.00 1.12 C ATOM 0 H LEU A 43 -3.256 4.091 1.749 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.107 1.357 2.745 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.843 2.962 1.567 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.640 1.500 2.511 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.227 1.643 -0.088 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.205 0.538 -1.057 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.186 2.145 -0.400 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.616 0.681 0.516 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.191 -0.745 -0.144 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.469 -0.782 1.482 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.096 -0.100 1.246 1.00 1.12 H new ATOM 699 N ILE A 44 -2.399 2.321 4.951 1.00 0.42 N ATOM 700 CA ILE A 44 -1.959 2.701 6.256 1.00 0.46 C ATOM 701 C ILE A 44 -0.743 1.855 6.417 1.00 0.42 C ATOM 702 O ILE A 44 -0.681 0.681 6.057 1.00 0.53 O ATOM 703 CB ILE A 44 -3.049 2.581 7.280 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.178 3.542 6.869 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.473 2.818 8.686 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.302 3.642 7.898 1.00 1.27 C ATOM 0 H ILE A 44 -2.844 1.403 4.942 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.708 3.752 6.397 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.477 1.580 7.321 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.757 4.534 6.705 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.596 3.212 5.918 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.269 2.730 9.425 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.702 2.076 8.893 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.039 3.817 8.738 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.062 4.337 7.540 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.750 2.659 8.045 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.898 4.002 8.844 1.00 1.27 H new ATOM 718 N PHE A 45 0.358 2.403 6.963 1.00 0.42 N ATOM 719 CA PHE A 45 1.514 1.655 7.351 1.00 0.46 C ATOM 720 C PHE A 45 1.781 2.116 8.742 1.00 0.68 C ATOM 721 O PHE A 45 2.313 3.192 9.007 1.00 1.50 O ATOM 722 CB PHE A 45 2.603 1.694 6.265 1.00 0.56 C ATOM 723 CG PHE A 45 3.975 1.577 6.835 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.361 0.375 7.379 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.839 2.645 6.805 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.640 0.251 7.869 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.119 2.524 7.292 1.00 1.33 C ATOM 728 CZ PHE A 45 6.511 1.314 7.812 1.00 1.02 C ATOM 0 H PHE A 45 0.446 3.404 7.141 1.00 0.42 H new ATOM 0 HA PHE A 45 1.414 0.571 7.406 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.436 0.882 5.557 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.522 2.626 5.706 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.673 -0.456 7.421 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.510 3.588 6.395 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.962 -0.685 8.300 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.801 3.361 7.266 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.519 1.196 8.182 1.00 1.02 H new ATOM 738 N ALA A 46 1.409 1.235 9.688 1.00 0.81 N ATOM 739 CA ALA A 46 1.516 1.437 11.100 1.00 0.96 C ATOM 740 C ALA A 46 0.386 2.268 11.604 1.00 0.97 C ATOM 741 O ALA A 46 -0.729 1.820 11.867 1.00 1.21 O ATOM 742 CB ALA A 46 2.959 1.731 11.547 1.00 1.20 C ATOM 0 H ALA A 46 1.009 0.327 9.452 1.00 0.81 H new ATOM 0 HA ALA A 46 1.356 0.509 11.648 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.983 1.876 12.627 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.601 0.892 11.279 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.317 2.634 11.052 1.00 1.20 H new ATOM 748 N GLY A 47 0.622 3.579 11.786 1.00 0.99 N ATOM 749 CA GLY A 47 -0.357 4.471 12.323 1.00 1.10 C ATOM 750 C GLY A 47 -0.455 5.671 11.445 1.00 1.03 C ATOM 751 O GLY A 47 -1.385 6.417 11.745 1.00 1.30 O ATOM 0 H GLY A 47 1.509 4.028 11.556 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.324 3.973 12.389 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.082 4.767 13.335 1.00 1.10 H new ATOM 755 N LYS A 48 0.375 5.865 10.405 1.00 0.98 N ATOM 756 CA LYS A 48 0.374 6.924 9.444 1.00 1.05 C ATOM 757 C LYS A 48 -0.232 6.481 8.157 1.00 0.84 C ATOM 758 O LYS A 48 0.229 5.484 7.603 1.00 0.81 O ATOM 759 CB LYS A 48 1.837 7.347 9.225 1.00 1.42 C ATOM 760 CG LYS A 48 2.019 8.394 8.124 1.00 1.61 C ATOM 761 CD LYS A 48 1.355 9.750 8.370 1.00 1.87 C ATOM 762 CE LYS A 48 1.857 10.903 7.498 1.00 2.22 C ATOM 763 NZ LYS A 48 0.966 12.068 7.690 1.00 2.55 N ATOM 0 H LYS A 48 1.130 5.204 10.220 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.223 7.760 9.810 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.235 7.743 10.159 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.427 6.465 8.976 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.087 8.556 7.978 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.628 7.984 7.193 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.282 9.642 8.214 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.500 10.020 9.416 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.881 11.162 7.768 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.869 10.606 6.449 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 1.297 12.859 7.102 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 -0.003 11.813 7.413 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 0.977 12.352 8.690 1.00 2.55 H new ATOM 777 N GLN A 49 -1.210 7.216 7.599 1.00 0.84 N ATOM 778 CA GLN A 49 -1.920 7.042 6.370 1.00 0.80 C ATOM 779 C GLN A 49 -1.214 7.706 5.239 1.00 0.72 C ATOM 780 O GLN A 49 -1.031 8.921 5.166 1.00 0.83 O ATOM 781 CB GLN A 49 -3.349 7.609 6.405 1.00 1.03 C ATOM 782 CG GLN A 49 -4.205 7.342 5.166 1.00 1.67 C ATOM 783 CD GLN A 49 -5.491 8.152 5.260 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.438 7.608 5.828 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.504 9.427 4.789 1.00 2.48 N ATOM 0 H GLN A 49 -1.546 8.049 8.083 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.968 5.962 6.228 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.862 7.195 7.273 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.288 8.687 6.555 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.656 7.613 4.265 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.435 6.279 5.091 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.678 9.809 4.328 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.340 10.002 4.896 1.00 2.48 H new ATOM 794 N LEU A 50 -0.807 6.872 4.267 1.00 0.69 N ATOM 795 CA LEU A 50 0.115 7.304 3.262 1.00 0.66 C ATOM 796 C LEU A 50 -0.501 8.177 2.224 1.00 0.72 C ATOM 797 O LEU A 50 -1.658 8.065 1.822 1.00 0.90 O ATOM 798 CB LEU A 50 0.886 6.177 2.553 1.00 0.65 C ATOM 799 CG LEU A 50 1.221 4.974 3.449 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.186 4.099 2.632 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.069 5.449 4.641 1.00 0.74 C ATOM 0 H LEU A 50 -1.114 5.903 4.176 1.00 0.69 H new ATOM 0 HA LEU A 50 0.831 7.881 3.847 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.297 5.829 1.704 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.814 6.585 2.152 1.00 0.65 H new ATOM 0 HG LEU A 50 0.306 4.477 3.772 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.465 3.222 3.216 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.698 3.782 1.711 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.081 4.673 2.390 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.309 4.598 5.279 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.992 5.899 4.275 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.508 6.187 5.215 1.00 0.74 H new ATOM 813 N GLU A 51 0.378 9.078 1.750 1.00 0.70 N ATOM 814 CA GLU A 51 0.096 9.987 0.683 1.00 0.76 C ATOM 815 C GLU A 51 0.645 9.494 -0.612 1.00 0.77 C ATOM 816 O GLU A 51 1.633 8.762 -0.584 1.00 1.23 O ATOM 817 CB GLU A 51 0.579 11.425 0.932 1.00 0.88 C ATOM 818 CG GLU A 51 -0.093 11.972 2.193 1.00 1.35 C ATOM 819 CD GLU A 51 0.052 13.487 2.143 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.830 14.147 1.533 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.953 14.051 2.820 1.00 1.89 O ATOM 0 H GLU A 51 1.322 9.177 2.125 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.992 10.025 0.634 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.663 11.442 1.047 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.339 12.055 0.076 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.144 11.685 2.227 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.378 11.567 3.089 1.00 1.35 H new ATOM 828 N ASP A 52 0.051 9.876 -1.756 1.00 0.66 N ATOM 829 CA ASP A 52 0.301 9.316 -3.048 1.00 0.65 C ATOM 830 C ASP A 52 1.609 9.697 -3.653 1.00 0.60 C ATOM 831 O ASP A 52 2.395 8.832 -4.037 1.00 0.62 O ATOM 832 CB ASP A 52 -0.805 9.664 -4.058 1.00 0.81 C ATOM 833 CG ASP A 52 -2.135 9.110 -3.567 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.669 9.587 -2.530 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.604 8.132 -4.206 1.00 1.44 O ATOM 0 H ASP A 52 -0.646 10.621 -1.780 1.00 0.66 H new ATOM 0 HA ASP A 52 0.321 8.244 -2.852 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.873 10.745 -4.181 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.564 9.246 -5.036 1.00 0.81 H new ATOM 840 N GLY A 53 1.899 11.005 -3.764 1.00 0.68 N ATOM 841 CA GLY A 53 3.143 11.519 -4.248 1.00 0.73 C ATOM 842 C GLY A 53 4.250 11.576 -3.251 1.00 0.72 C ATOM 843 O GLY A 53 4.919 12.607 -3.282 1.00 0.97 O ATOM 0 H GLY A 53 1.238 11.737 -3.505 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.467 10.905 -5.088 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.974 12.524 -4.634 1.00 0.73 H new ATOM 847 N ARG A 54 4.523 10.519 -2.465 1.00 0.64 N ATOM 848 CA ARG A 54 5.749 10.452 -1.733 1.00 0.63 C ATOM 849 C ARG A 54 6.407 9.133 -1.950 1.00 0.59 C ATOM 850 O ARG A 54 5.767 8.101 -2.145 1.00 0.62 O ATOM 851 CB ARG A 54 5.618 10.673 -0.217 1.00 0.69 C ATOM 852 CG ARG A 54 4.798 11.907 0.170 1.00 0.82 C ATOM 853 CD ARG A 54 4.727 12.150 1.679 1.00 1.18 C ATOM 854 NE ARG A 54 6.046 12.764 2.002 1.00 1.50 N ATOM 855 CZ ARG A 54 6.532 14.015 1.757 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.848 15.124 1.351 1.00 2.48 N ATOM 857 NH2 ARG A 54 7.885 14.136 1.892 1.00 2.49 N ATOM 0 H ARG A 54 3.903 9.719 -2.337 1.00 0.64 H new ATOM 0 HA ARG A 54 6.345 11.277 -2.123 1.00 0.63 H new ATOM 0 HB2 ARG A 54 5.158 9.791 0.229 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.615 10.764 0.213 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.230 12.785 -0.310 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.786 11.796 -0.219 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.902 12.814 1.939 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.573 11.221 2.227 1.00 1.18 H new ATOM 0 HE ARG A 54 6.695 12.145 2.488 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.841 15.073 1.194 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.343 16.004 1.205 1.00 2.48 H new ATOM 0 HH21 ARG A 54 8.446 13.326 2.157 1.00 2.49 H new ATOM 0 HH22 ARG A 54 8.335 15.036 1.728 1.00 2.49 H new ATOM 871 N THR A 55 7.723 8.925 -1.761 1.00 0.63 N ATOM 872 CA THR A 55 8.310 7.639 -1.976 1.00 0.61 C ATOM 873 C THR A 55 8.219 6.714 -0.811 1.00 0.59 C ATOM 874 O THR A 55 7.777 7.125 0.261 1.00 0.64 O ATOM 875 CB THR A 55 9.653 7.682 -2.643 1.00 0.68 C ATOM 876 OG1 THR A 55 10.632 8.189 -1.748 1.00 0.75 O ATOM 877 CG2 THR A 55 9.687 8.669 -3.821 1.00 0.76 C ATOM 0 H THR A 55 8.379 9.646 -1.460 1.00 0.63 H new ATOM 0 HA THR A 55 7.664 7.171 -2.719 1.00 0.61 H new ATOM 0 HB THR A 55 9.847 6.660 -2.968 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.504 8.210 -2.195 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.680 8.664 -4.271 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.949 8.372 -4.566 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.456 9.672 -3.462 1.00 0.76 H new ATOM 885 N LEU A 56 8.543 5.423 -1.004 1.00 0.58 N ATOM 886 CA LEU A 56 8.640 4.510 0.091 1.00 0.59 C ATOM 887 C LEU A 56 9.752 4.830 1.029 1.00 0.64 C ATOM 888 O LEU A 56 9.595 4.597 2.227 1.00 0.70 O ATOM 889 CB LEU A 56 8.812 3.064 -0.405 1.00 0.60 C ATOM 890 CG LEU A 56 7.641 2.450 -1.190 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.163 1.237 -1.976 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.486 2.021 -0.269 1.00 1.03 C ATOM 0 H LEU A 56 8.737 5.012 -1.917 1.00 0.58 H new ATOM 0 HA LEU A 56 7.702 4.612 0.636 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.700 3.026 -1.036 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.009 2.431 0.460 1.00 0.60 H new ATOM 0 HG LEU A 56 7.244 3.207 -1.867 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.344 0.789 -2.539 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.944 1.559 -2.665 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.571 0.502 -1.282 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.682 1.593 -0.868 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.845 1.276 0.442 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.112 2.889 0.273 1.00 1.03 H new ATOM 904 N SER A 57 10.882 5.358 0.525 1.00 0.68 N ATOM 905 CA SER A 57 12.056 5.743 1.243 1.00 0.75 C ATOM 906 C SER A 57 11.812 6.964 2.061 1.00 0.76 C ATOM 907 O SER A 57 12.329 7.059 3.173 1.00 0.84 O ATOM 908 CB SER A 57 13.320 6.036 0.417 1.00 0.84 C ATOM 909 OG SER A 57 14.542 6.067 1.141 1.00 1.19 O ATOM 0 H SER A 57 10.980 5.530 -0.476 1.00 0.68 H new ATOM 0 HA SER A 57 12.253 4.849 1.835 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.403 5.281 -0.365 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.191 6.997 -0.080 1.00 0.84 H new ATOM 0 HG SER A 57 15.281 6.258 0.527 1.00 1.19 H new ATOM 915 N ASP A 58 10.839 7.804 1.665 1.00 0.75 N ATOM 916 CA ASP A 58 10.354 8.886 2.463 1.00 0.78 C ATOM 917 C ASP A 58 9.612 8.438 3.675 1.00 0.77 C ATOM 918 O ASP A 58 9.686 9.139 4.683 1.00 0.86 O ATOM 919 CB ASP A 58 9.508 9.752 1.516 1.00 0.83 C ATOM 920 CG ASP A 58 9.268 11.193 1.944 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.091 12.076 1.585 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.267 11.335 2.695 1.00 1.86 O ATOM 0 H ASP A 58 10.375 7.727 0.760 1.00 0.75 H new ATOM 0 HA ASP A 58 11.179 9.461 2.883 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.992 9.763 0.540 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.539 9.269 1.386 1.00 0.83 H new ATOM 927 N TYR A 59 8.937 7.275 3.700 1.00 0.72 N ATOM 928 CA TYR A 59 8.250 6.689 4.809 1.00 0.73 C ATOM 929 C TYR A 59 9.209 5.720 5.410 1.00 0.76 C ATOM 930 O TYR A 59 8.891 4.852 6.223 1.00 0.89 O ATOM 931 CB TYR A 59 6.958 6.011 4.323 1.00 0.73 C ATOM 932 CG TYR A 59 5.865 6.992 4.076 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.253 7.724 5.066 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.307 7.018 2.820 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.342 8.720 4.802 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.447 8.052 2.536 1.00 0.70 C ATOM 937 CZ TYR A 59 3.916 8.874 3.503 1.00 0.74 C ATOM 938 OH TYR A 59 2.974 9.891 3.241 1.00 0.86 O ATOM 0 H TYR A 59 8.867 6.693 2.866 1.00 0.72 H new ATOM 0 HA TYR A 59 7.943 7.425 5.552 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.163 5.459 3.405 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.630 5.284 5.066 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.498 7.508 6.095 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.535 6.258 2.087 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.973 9.361 5.589 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.175 8.227 1.506 1.00 0.70 H new ATOM 0 HH TYR A 59 3.099 10.625 3.878 1.00 0.86 H new ATOM 948 N ASN A 60 10.505 5.875 5.088 1.00 0.74 N ATOM 949 CA ASN A 60 11.636 5.104 5.503 1.00 0.79 C ATOM 950 C ASN A 60 11.535 3.618 5.485 1.00 0.75 C ATOM 951 O ASN A 60 11.838 2.944 6.468 1.00 0.86 O ATOM 952 CB ASN A 60 12.164 5.643 6.843 1.00 0.95 C ATOM 953 CG ASN A 60 12.504 7.118 6.681 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.879 8.085 7.115 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.593 7.235 5.876 1.00 1.83 N ATOM 0 H ASN A 60 10.790 6.630 4.464 1.00 0.74 H new ATOM 0 HA ASN A 60 12.360 5.256 4.703 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.414 5.512 7.624 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.047 5.084 7.152 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.929 8.159 5.604 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.074 6.399 5.544 1.00 1.83 H new ATOM 962 N ILE A 61 10.921 3.018 4.449 1.00 0.67 N ATOM 963 CA ILE A 61 10.673 1.619 4.286 1.00 0.65 C ATOM 964 C ILE A 61 11.842 1.104 3.518 1.00 0.66 C ATOM 965 O ILE A 61 12.299 1.676 2.529 1.00 0.75 O ATOM 966 CB ILE A 61 9.367 1.457 3.566 1.00 0.63 C ATOM 967 CG1 ILE A 61 8.121 1.938 4.327 1.00 0.70 C ATOM 968 CG2 ILE A 61 9.222 -0.018 3.153 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.846 2.053 3.492 1.00 0.82 C ATOM 0 H ILE A 61 10.569 3.559 3.660 1.00 0.67 H new ATOM 0 HA ILE A 61 10.581 1.063 5.219 1.00 0.65 H new ATOM 0 HB ILE A 61 9.409 2.117 2.699 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.933 1.252 5.153 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.337 2.912 4.765 1.00 0.70 H new ATOM 0 HG21 ILE A 61 8.277 -0.157 2.627 1.00 0.72 H new ATOM 0 HG22 ILE A 61 10.047 -0.295 2.497 1.00 0.72 H new ATOM 0 HG23 ILE A 61 9.239 -0.648 4.042 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.028 2.400 4.123 1.00 0.82 H new ATOM 0 HD12 ILE A 61 7.005 2.764 2.681 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.595 1.078 3.075 1.00 0.82 H new ATOM 981 N GLN A 62 12.451 0.003 3.991 1.00 0.67 N ATOM 982 CA GLN A 62 13.641 -0.540 3.412 1.00 0.70 C ATOM 983 C GLN A 62 13.654 -2.022 3.568 1.00 0.62 C ATOM 984 O GLN A 62 14.136 -2.816 2.763 1.00 0.64 O ATOM 985 CB GLN A 62 14.975 -0.076 4.022 1.00 0.85 C ATOM 986 CG GLN A 62 16.053 -0.106 2.937 1.00 1.27 C ATOM 987 CD GLN A 62 17.429 0.283 3.457 1.00 1.57 C ATOM 988 OE1 GLN A 62 17.963 -0.585 4.146 1.00 2.08 O ATOM 989 NE2 GLN A 62 17.922 1.463 2.995 1.00 2.16 N ATOM 0 H GLN A 62 12.109 -0.523 4.795 1.00 0.67 H new ATOM 0 HA GLN A 62 13.591 -0.184 2.383 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.875 0.931 4.426 1.00 0.85 H new ATOM 0 HB3 GLN A 62 15.256 -0.725 4.851 1.00 0.85 H new ATOM 0 HG2 GLN A 62 16.102 -1.107 2.508 1.00 1.27 H new ATOM 0 HG3 GLN A 62 15.770 0.572 2.132 1.00 1.27 H new ATOM 0 HE21 GLN A 62 17.335 2.074 2.428 1.00 2.16 H new ATOM 0 HE22 GLN A 62 18.879 1.737 3.216 1.00 2.16 H new ATOM 998 N LYS A 63 13.109 -2.496 4.703 1.00 0.64 N ATOM 999 CA LYS A 63 12.922 -3.885 4.994 1.00 0.62 C ATOM 1000 C LYS A 63 11.533 -4.286 4.636 1.00 0.59 C ATOM 1001 O LYS A 63 10.821 -3.460 4.065 1.00 0.66 O ATOM 1002 CB LYS A 63 13.234 -4.121 6.482 1.00 0.74 C ATOM 1003 CG LYS A 63 14.536 -3.606 7.099 1.00 0.89 C ATOM 1004 CD LYS A 63 15.799 -4.427 6.829 1.00 1.11 C ATOM 1005 CE LYS A 63 16.350 -4.389 5.403 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.610 -5.163 5.459 1.00 2.12 N ATOM 0 H LYS A 63 12.784 -1.884 5.452 1.00 0.64 H new ATOM 0 HA LYS A 63 13.598 -4.503 4.403 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.414 -3.687 7.054 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.204 -5.198 6.649 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.706 -2.592 6.737 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.398 -3.540 8.178 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.581 -4.081 7.505 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.591 -5.466 7.086 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.647 -4.830 4.696 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.530 -3.365 5.077 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.048 -5.182 4.516 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.262 -4.716 6.135 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.407 -6.136 5.766 1.00 2.12 H new ATOM 1020 N GLU A 64 11.149 -5.558 4.841 1.00 0.57 N ATOM 1021 CA GLU A 64 9.806 -5.993 4.605 1.00 0.58 C ATOM 1022 C GLU A 64 8.769 -5.457 5.530 1.00 0.56 C ATOM 1023 O GLU A 64 8.627 -5.816 6.698 1.00 0.70 O ATOM 1024 CB GLU A 64 9.748 -7.530 4.649 1.00 0.72 C ATOM 1025 CG GLU A 64 10.897 -8.190 3.885 1.00 0.96 C ATOM 1026 CD GLU A 64 10.933 -9.693 4.120 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.582 -10.165 5.235 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.395 -10.360 3.155 1.00 1.69 O ATOM 0 H GLU A 64 11.774 -6.292 5.173 1.00 0.57 H new ATOM 0 HA GLU A 64 9.560 -5.589 3.623 1.00 0.58 H new ATOM 0 HB2 GLU A 64 9.772 -7.860 5.688 1.00 0.72 H new ATOM 0 HB3 GLU A 64 8.799 -7.865 4.230 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.789 -7.990 2.819 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.844 -7.749 4.197 1.00 0.96 H new ATOM 1035 N SER A 65 8.094 -4.396 5.052 1.00 0.51 N ATOM 1036 CA SER A 65 7.252 -3.575 5.865 1.00 0.51 C ATOM 1037 C SER A 65 5.854 -4.088 5.820 1.00 0.43 C ATOM 1038 O SER A 65 5.355 -4.474 4.764 1.00 0.50 O ATOM 1039 CB SER A 65 7.307 -2.068 5.563 1.00 0.65 C ATOM 1040 OG SER A 65 6.833 -1.702 4.275 1.00 1.04 O ATOM 0 H SER A 65 8.135 -4.102 4.076 1.00 0.51 H new ATOM 0 HA SER A 65 7.651 -3.653 6.876 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.721 -1.539 6.314 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.338 -1.728 5.666 1.00 0.65 H new ATOM 0 HG SER A 65 6.598 -0.751 4.271 1.00 1.04 H new ATOM 1046 N THR A 66 5.132 -4.114 6.954 1.00 0.45 N ATOM 1047 CA THR A 66 3.769 -4.524 6.815 1.00 0.45 C ATOM 1048 C THR A 66 2.847 -3.387 6.542 1.00 0.43 C ATOM 1049 O THR A 66 2.451 -2.655 7.448 1.00 0.58 O ATOM 1050 CB THR A 66 3.247 -5.199 8.048 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.075 -6.238 8.548 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.941 -5.967 7.779 1.00 0.78 C ATOM 0 H THR A 66 5.454 -3.874 7.892 1.00 0.45 H new ATOM 0 HA THR A 66 3.785 -5.213 5.970 1.00 0.45 H new ATOM 0 HB THR A 66 3.158 -4.361 8.740 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.666 -6.624 9.351 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.600 -6.440 8.700 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.178 -5.274 7.423 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.118 -6.732 7.023 1.00 0.78 H new ATOM 1060 N LEU A 67 2.389 -3.228 5.286 1.00 0.38 N ATOM 1061 CA LEU A 67 1.439 -2.219 4.935 1.00 0.38 C ATOM 1062 C LEU A 67 0.079 -2.796 5.132 1.00 0.37 C ATOM 1063 O LEU A 67 -0.095 -4.008 5.251 1.00 0.50 O ATOM 1064 CB LEU A 67 1.676 -1.561 3.564 1.00 0.46 C ATOM 1065 CG LEU A 67 3.120 -1.100 3.304 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.862 -2.001 2.303 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.246 0.360 2.838 1.00 1.31 C ATOM 0 H LEU A 67 2.684 -3.810 4.502 1.00 0.38 H new ATOM 0 HA LEU A 67 1.560 -1.361 5.596 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.391 -2.268 2.785 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.014 -0.700 3.472 1.00 0.46 H new ATOM 0 HG LEU A 67 3.588 -1.180 4.285 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.876 -1.627 2.159 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.902 -3.019 2.690 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.335 -1.997 1.349 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.297 0.602 2.678 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.697 0.493 1.906 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.833 1.022 3.599 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.976 -1.981 5.308 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.327 -2.437 5.429 1.00 0.37 C ATOM 1081 C HIS A 68 -3.272 -1.864 4.430 1.00 0.35 C ATOM 1082 O HIS A 68 -3.321 -0.643 4.289 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.937 -2.196 6.820 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.895 -2.021 7.886 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.950 -2.993 8.144 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.438 -0.942 8.575 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.026 -2.427 8.903 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.285 -1.204 9.287 1.00 1.51 N ATOM 0 H HIS A 68 -0.886 -0.967 5.368 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.219 -3.506 5.243 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -3.569 -1.309 6.786 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.580 -3.036 7.081 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.978 -3.961 7.823 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -1.927 0.021 8.566 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.950 -2.922 9.162 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.943 -2.713 3.630 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.823 -2.134 2.663 1.00 0.38 C ATOM 1098 C LEU A 69 -6.172 -1.760 3.173 1.00 0.41 C ATOM 1099 O LEU A 69 -6.816 -2.613 3.783 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.074 -3.059 1.459 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.679 -2.323 0.251 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.957 -2.775 -1.030 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.208 -2.416 0.111 1.00 1.14 C ATOM 0 H LEU A 69 -3.886 -3.731 3.645 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.281 -1.231 2.381 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.133 -3.522 1.161 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.744 -3.864 1.760 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.511 -1.261 0.428 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.382 -2.256 -1.889 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.896 -2.539 -0.952 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.081 -3.850 -1.157 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.527 -1.863 -0.772 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.501 -3.461 0.010 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.681 -1.990 0.996 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.518 -0.461 3.124 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.812 0.023 3.488 1.00 0.56 C ATOM 1117 C VAL A 70 -8.546 0.611 2.332 1.00 0.55 C ATOM 1118 O VAL A 70 -8.052 1.241 1.399 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.519 1.117 4.472 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.743 1.962 4.868 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.861 0.525 5.730 1.00 0.97 C ATOM 0 H VAL A 70 -5.878 0.274 2.822 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.437 -0.783 3.873 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.838 1.801 3.965 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.441 2.728 5.582 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.160 2.437 3.980 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.497 1.320 5.323 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.651 1.324 6.441 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.536 -0.199 6.187 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.930 0.030 5.455 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.829 0.229 2.193 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.669 0.785 1.179 1.00 0.84 C ATOM 1133 C LEU A 71 -11.387 1.949 1.772 1.00 0.85 C ATOM 1134 O LEU A 71 -11.935 2.010 2.871 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.665 -0.294 0.723 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.991 -1.427 -0.069 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.058 -2.306 -0.743 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.117 -0.933 -1.234 1.00 2.78 C ATOM 0 H LEU A 71 -10.284 -0.466 2.784 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.092 1.115 0.315 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.165 -0.714 1.596 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.436 0.167 0.105 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.382 -1.953 0.667 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.571 -3.105 -1.301 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.707 -2.738 0.018 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.653 -1.698 -1.424 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.675 -1.788 -1.745 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.731 -0.368 -1.936 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.325 -0.292 -0.848 1.00 2.78 H new