USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0567 (180deg=-0.343) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 97:sc= 0.805 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0637) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 15 SER OG : rot -22:sc= -0.882 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 1.06 (180deg=-0.897) USER MOD Single : A 28 SER OG : rot 60:sc= 0.349 USER MOD Single : A 31 MET CE :methyl -159:sc= -0.541 (180deg=-1.46) USER MOD Single : A 35 SER OG : rot 141:sc= -0.232 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-0.12) USER MOD Single : A 50 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.48) USER MOD Single : A 53 THR OG1 : rot -32:sc= -2.39! USER MOD Single : A 57 SER OG : rot 30:sc= 0.909 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.611 12.673 -4.556 1.00 3.33 N ATOM 2 CA MET A 1 -0.351 11.887 -4.525 1.00 2.78 C ATOM 3 C MET A 1 0.073 11.592 -3.090 1.00 2.08 C ATOM 4 O MET A 1 0.323 10.441 -2.731 1.00 2.36 O ATOM 5 CB MET A 1 0.765 12.648 -5.247 1.00 2.93 C ATOM 6 CG MET A 1 0.445 12.967 -6.699 1.00 3.53 C ATOM 7 SD MET A 1 1.761 13.899 -7.510 1.00 4.37 S ATOM 8 CE MET A 1 1.059 14.128 -9.142 1.00 5.17 C ATOM 0 H1 MET A 1 -2.014 12.645 -5.514 1.00 3.33 H new ATOM 0 H2 MET A 1 -2.291 12.266 -3.883 1.00 3.33 H new ATOM 0 H3 MET A 1 -1.412 13.659 -4.293 1.00 3.33 H new ATOM 0 HA MET A 1 -0.531 10.941 -5.035 1.00 2.78 H new ATOM 0 HB2 MET A 1 0.962 13.578 -4.714 1.00 2.93 H new ATOM 0 HB3 MET A 1 1.680 12.058 -5.207 1.00 2.93 H new ATOM 0 HG2 MET A 1 0.275 12.038 -7.242 1.00 3.53 H new ATOM 0 HG3 MET A 1 -0.482 13.538 -6.746 1.00 3.53 H new ATOM 0 HE1 MET A 1 1.757 14.689 -9.763 1.00 5.17 H new ATOM 0 HE2 MET A 1 0.870 13.155 -9.597 1.00 5.17 H new ATOM 0 HE3 MET A 1 0.122 14.679 -9.061 1.00 5.17 H new ATOM 18 N GLN A 2 0.152 12.638 -2.272 1.00 1.56 N ATOM 19 CA GLN A 2 0.549 12.489 -0.875 1.00 0.99 C ATOM 20 C GLN A 2 -0.299 11.431 -0.175 1.00 0.83 C ATOM 21 O GLN A 2 -1.470 11.660 0.130 1.00 1.25 O ATOM 22 CB GLN A 2 0.421 13.827 -0.144 1.00 1.05 C ATOM 23 CG GLN A 2 1.269 14.932 -0.745 1.00 1.64 C ATOM 24 CD GLN A 2 0.888 16.308 -0.234 1.00 2.33 C ATOM 25 OE1 GLN A 2 0.031 16.981 -0.809 1.00 2.91 O ATOM 26 NE2 GLN A 2 1.524 16.736 0.851 1.00 2.94 N ATOM 0 H GLN A 2 -0.053 13.597 -2.552 1.00 1.56 H new ATOM 0 HA GLN A 2 1.590 12.166 -0.852 1.00 0.99 H new ATOM 0 HB2 GLN A 2 -0.624 14.137 -0.152 1.00 1.05 H new ATOM 0 HB3 GLN A 2 0.705 13.690 0.899 1.00 1.05 H new ATOM 0 HG2 GLN A 2 2.318 14.743 -0.518 1.00 1.64 H new ATOM 0 HG3 GLN A 2 1.169 14.912 -1.830 1.00 1.64 H new ATOM 0 HE21 GLN A 2 2.227 16.146 1.296 1.00 2.94 H new ATOM 0 HE22 GLN A 2 1.309 17.655 1.239 1.00 2.94 H new ATOM 33 N PHE A 3 0.300 10.269 0.073 1.00 0.64 N ATOM 34 CA PHE A 3 -0.398 9.176 0.739 1.00 0.59 C ATOM 35 C PHE A 3 -0.834 9.587 2.141 1.00 0.50 C ATOM 36 O PHE A 3 -0.038 9.572 3.079 1.00 0.55 O ATOM 37 CB PHE A 3 0.503 7.941 0.816 1.00 0.80 C ATOM 38 CG PHE A 3 1.076 7.529 -0.511 1.00 0.75 C ATOM 39 CD1 PHE A 3 0.364 6.693 -1.357 1.00 1.47 C ATOM 40 CD2 PHE A 3 2.323 7.979 -0.914 1.00 0.80 C ATOM 41 CE1 PHE A 3 0.886 6.312 -2.578 1.00 2.25 C ATOM 42 CE2 PHE A 3 2.852 7.601 -2.135 1.00 1.39 C ATOM 43 CZ PHE A 3 2.137 6.769 -2.965 1.00 2.18 C ATOM 0 H PHE A 3 1.267 10.061 -0.178 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.287 8.934 0.156 1.00 0.59 H new ATOM 0 HB2 PHE A 3 1.320 8.141 1.509 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.069 7.110 1.229 1.00 0.80 H new ATOM 0 HD1 PHE A 3 -0.610 6.335 -1.058 1.00 1.47 H new ATOM 0 HD2 PHE A 3 2.889 8.633 -0.267 1.00 0.80 H new ATOM 0 HE1 PHE A 3 0.322 5.661 -3.229 1.00 2.25 H new ATOM 0 HE2 PHE A 3 3.825 7.959 -2.436 1.00 1.39 H new ATOM 0 HZ PHE A 3 2.550 6.472 -3.918 1.00 2.18 H new ATOM 52 N THR A 4 -2.102 9.959 2.277 1.00 0.53 N ATOM 53 CA THR A 4 -2.642 10.374 3.566 1.00 0.49 C ATOM 54 C THR A 4 -3.431 9.246 4.222 1.00 0.45 C ATOM 55 O THR A 4 -4.090 8.460 3.540 1.00 0.45 O ATOM 56 CB THR A 4 -3.551 11.610 3.430 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.483 11.421 2.359 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.725 12.860 3.181 1.00 0.66 C ATOM 0 H THR A 4 -2.775 9.982 1.511 1.00 0.53 H new ATOM 0 HA THR A 4 -1.789 10.631 4.194 1.00 0.49 H new ATOM 0 HB THR A 4 -4.099 11.736 4.364 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.339 11.110 2.721 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.387 13.721 3.088 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.041 13.016 4.015 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.153 12.741 2.261 1.00 0.66 H new ATOM 66 N PRO A 5 -3.375 9.154 5.561 1.00 0.47 N ATOM 67 CA PRO A 5 -4.085 8.116 6.311 1.00 0.51 C ATOM 68 C PRO A 5 -5.595 8.327 6.299 1.00 0.51 C ATOM 69 O PRO A 5 -6.150 8.955 7.200 1.00 0.65 O ATOM 70 CB PRO A 5 -3.532 8.261 7.729 1.00 0.62 C ATOM 71 CG PRO A 5 -3.102 9.683 7.822 1.00 0.58 C ATOM 72 CD PRO A 5 -2.614 10.057 6.449 1.00 0.53 C ATOM 0 HA PRO A 5 -3.934 7.125 5.883 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.291 8.027 8.476 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.696 7.582 7.900 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -3.930 10.322 8.130 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.313 9.805 8.564 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -2.812 11.105 6.223 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.539 9.907 6.349 1.00 0.53 H new ATOM 77 N ASP A 6 -6.250 7.804 5.268 1.00 0.74 N ATOM 78 CA ASP A 6 -7.696 7.934 5.135 1.00 0.84 C ATOM 79 C ASP A 6 -8.182 7.291 3.840 1.00 0.71 C ATOM 80 O ASP A 6 -9.248 6.678 3.800 1.00 0.67 O ATOM 81 CB ASP A 6 -8.105 9.408 5.169 1.00 1.07 C ATOM 82 CG ASP A 6 -7.431 10.218 4.079 1.00 2.06 C ATOM 83 OD1 ASP A 6 -6.301 10.697 4.308 1.00 2.69 O ATOM 84 OD2 ASP A 6 -8.034 10.375 2.996 1.00 2.51 O ATOM 0 H ASP A 6 -5.802 7.286 4.512 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.160 7.417 5.975 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -9.187 9.485 5.059 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.852 9.830 6.141 1.00 1.07 H new ATOM 88 N SER A 7 -7.391 7.433 2.781 1.00 0.77 N ATOM 89 CA SER A 7 -7.741 6.866 1.485 1.00 0.72 C ATOM 90 C SER A 7 -7.037 5.532 1.267 1.00 0.54 C ATOM 91 O SER A 7 -5.915 5.328 1.729 1.00 0.67 O ATOM 92 CB SER A 7 -7.376 7.838 0.362 1.00 0.96 C ATOM 93 OG SER A 7 -7.718 7.305 -0.905 1.00 1.89 O ATOM 0 H SER A 7 -6.504 7.936 2.796 1.00 0.77 H new ATOM 0 HA SER A 7 -8.817 6.695 1.471 1.00 0.72 H new ATOM 0 HB2 SER A 7 -7.894 8.785 0.514 1.00 0.96 H new ATOM 0 HB3 SER A 7 -6.307 8.051 0.394 1.00 0.96 H new ATOM 0 HG SER A 7 -7.476 7.946 -1.606 1.00 1.89 H new ATOM 98 N ALA A 8 -7.703 4.627 0.559 1.00 0.47 N ATOM 99 CA ALA A 8 -7.141 3.313 0.277 1.00 0.35 C ATOM 100 C ALA A 8 -6.149 3.381 -0.877 1.00 0.31 C ATOM 101 O ALA A 8 -6.029 4.407 -1.546 1.00 0.38 O ATOM 102 CB ALA A 8 -8.252 2.321 -0.035 1.00 0.44 C ATOM 0 H ALA A 8 -8.633 4.780 0.170 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.605 2.973 1.163 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.818 1.343 -0.244 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.923 2.245 0.821 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.812 2.663 -0.906 1.00 0.44 H new ATOM 108 N TRP A 9 -5.438 2.282 -1.105 1.00 0.30 N ATOM 109 CA TRP A 9 -4.457 2.219 -2.182 1.00 0.30 C ATOM 110 C TRP A 9 -4.210 0.775 -2.605 1.00 0.32 C ATOM 111 O TRP A 9 -4.514 -0.159 -1.864 1.00 0.39 O ATOM 112 CB TRP A 9 -3.141 2.862 -1.739 1.00 0.34 C ATOM 113 CG TRP A 9 -3.307 4.258 -1.219 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.640 4.624 0.054 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.143 5.476 -1.955 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.697 5.993 0.154 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.396 6.539 -1.066 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.808 5.773 -3.280 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.324 7.874 -1.459 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.737 7.098 -3.669 1.00 0.69 C ATOM 121 CH2 TRP A 9 -2.993 8.134 -2.761 1.00 0.66 C ATOM 0 H TRP A 9 -5.522 1.424 -0.560 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.854 2.769 -3.035 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.686 2.245 -0.964 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.450 2.876 -2.582 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.831 3.937 0.865 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.926 6.517 0.998 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.608 4.981 -3.987 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.522 8.674 -0.761 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.480 7.338 -4.690 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -2.928 9.159 -3.096 1.00 0.66 H new ATOM 131 N LYS A 10 -3.660 0.601 -3.801 1.00 0.34 N ATOM 132 CA LYS A 10 -3.366 -0.729 -4.323 1.00 0.37 C ATOM 133 C LYS A 10 -1.859 -0.952 -4.421 1.00 0.34 C ATOM 134 O LYS A 10 -1.125 -0.090 -4.900 1.00 0.34 O ATOM 135 CB LYS A 10 -4.011 -0.918 -5.698 1.00 0.43 C ATOM 136 CG LYS A 10 -5.517 -1.121 -5.647 1.00 1.01 C ATOM 137 CD LYS A 10 -6.096 -1.325 -7.038 1.00 1.03 C ATOM 138 CE LYS A 10 -7.562 -1.728 -6.981 1.00 1.28 C ATOM 139 NZ LYS A 10 -8.398 -0.697 -6.308 1.00 2.04 N ATOM 0 H LYS A 10 -3.408 1.365 -4.428 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.782 -1.462 -3.632 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.792 -0.046 -6.315 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.554 -1.778 -6.188 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.748 -1.985 -5.024 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.987 -0.256 -5.179 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.993 -0.405 -7.614 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.527 -2.094 -7.560 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.933 -1.891 -7.993 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.657 -2.675 -6.450 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -9.402 -0.953 -6.395 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -8.140 -0.643 -5.302 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -8.237 0.227 -6.756 1.00 2.04 H new ATOM 149 N ILE A 11 -1.408 -2.115 -3.963 1.00 0.36 N ATOM 150 CA ILE A 11 0.011 -2.448 -3.997 1.00 0.36 C ATOM 151 C ILE A 11 0.485 -2.703 -5.421 1.00 0.32 C ATOM 152 O ILE A 11 -0.209 -3.343 -6.211 1.00 0.38 O ATOM 153 CB ILE A 11 0.318 -3.691 -3.140 1.00 0.41 C ATOM 154 CG1 ILE A 11 -0.177 -3.485 -1.707 1.00 0.48 C ATOM 155 CG2 ILE A 11 1.810 -3.991 -3.155 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.081 -4.670 -0.802 1.00 0.56 C ATOM 0 H ILE A 11 -2.003 -2.841 -3.565 1.00 0.36 H new ATOM 0 HA ILE A 11 0.543 -1.590 -3.587 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.208 -4.546 -3.566 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.309 -2.604 -1.287 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -1.247 -3.280 -1.727 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.010 -4.872 -2.545 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.133 -4.178 -4.179 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.357 -3.139 -2.752 1.00 0.43 H new ATOM 0 HD11 ILE A 11 -0.296 -4.453 0.198 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.428 -5.549 -1.199 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.153 -4.863 -0.752 1.00 0.56 H new ATOM 167 N THR A 12 1.671 -2.198 -5.741 1.00 0.28 N ATOM 168 CA THR A 12 2.248 -2.372 -7.069 1.00 0.27 C ATOM 169 C THR A 12 3.768 -2.480 -6.981 1.00 0.27 C ATOM 170 O THR A 12 4.496 -1.876 -7.767 1.00 0.30 O ATOM 171 CB THR A 12 1.870 -1.204 -8.002 1.00 0.30 C ATOM 172 OG1 THR A 12 0.470 -0.925 -7.891 1.00 0.91 O ATOM 173 CG2 THR A 12 2.208 -1.531 -9.451 1.00 0.97 C ATOM 0 H THR A 12 2.253 -1.663 -5.097 1.00 0.28 H new ATOM 0 HA THR A 12 1.842 -3.294 -7.485 1.00 0.27 H new ATOM 0 HB THR A 12 2.445 -0.329 -7.700 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.237 -0.181 -8.485 1.00 0.91 H new ATOM 0 HG21 THR A 12 1.931 -0.691 -10.088 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.278 -1.718 -9.542 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.657 -2.419 -9.762 1.00 0.97 H new ATOM 181 N GLY A 13 4.239 -3.258 -6.012 1.00 0.29 N ATOM 182 CA GLY A 13 5.666 -3.436 -5.827 1.00 0.33 C ATOM 183 C GLY A 13 6.376 -3.859 -7.099 1.00 0.37 C ATOM 184 O GLY A 13 6.506 -5.050 -7.381 1.00 0.45 O ATOM 0 H GLY A 13 3.655 -3.769 -5.350 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.100 -2.503 -5.467 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.837 -4.186 -5.055 1.00 0.33 H new ATOM 188 N PHE A 14 6.838 -2.877 -7.865 1.00 0.34 N ATOM 189 CA PHE A 14 7.545 -3.146 -9.110 1.00 0.41 C ATOM 190 C PHE A 14 8.609 -2.086 -9.366 1.00 0.39 C ATOM 191 O PHE A 14 8.320 -1.021 -9.913 1.00 0.43 O ATOM 192 CB PHE A 14 6.563 -3.197 -10.281 1.00 0.50 C ATOM 193 CG PHE A 14 7.228 -3.388 -11.616 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.694 -4.634 -12.001 1.00 0.70 C ATOM 195 CD2 PHE A 14 7.388 -2.318 -12.483 1.00 0.69 C ATOM 196 CE1 PHE A 14 8.306 -4.812 -13.227 1.00 0.81 C ATOM 197 CE2 PHE A 14 7.998 -2.490 -13.711 1.00 0.79 C ATOM 198 CZ PHE A 14 8.460 -3.741 -14.082 1.00 0.81 C ATOM 0 H PHE A 14 6.735 -1.886 -7.645 1.00 0.34 H new ATOM 0 HA PHE A 14 8.036 -4.115 -9.019 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.856 -4.011 -10.117 1.00 0.50 H new ATOM 0 HB3 PHE A 14 5.986 -2.273 -10.301 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.578 -5.476 -11.335 1.00 0.70 H new ATOM 0 HD2 PHE A 14 7.032 -1.340 -12.196 1.00 0.69 H new ATOM 0 HE1 PHE A 14 8.664 -5.789 -13.516 1.00 0.81 H new ATOM 0 HE2 PHE A 14 8.114 -1.650 -14.380 1.00 0.79 H new ATOM 0 HZ PHE A 14 8.940 -3.878 -15.040 1.00 0.81 H new ATOM 207 N SER A 15 9.838 -2.381 -8.961 1.00 0.40 N ATOM 208 CA SER A 15 10.946 -1.451 -9.141 1.00 0.41 C ATOM 209 C SER A 15 11.779 -1.826 -10.362 1.00 0.43 C ATOM 210 O SER A 15 11.384 -2.678 -11.158 1.00 0.48 O ATOM 211 CB SER A 15 11.831 -1.433 -7.893 1.00 0.39 C ATOM 212 OG SER A 15 11.069 -1.157 -6.732 1.00 0.76 O ATOM 0 H SER A 15 10.093 -3.257 -8.505 1.00 0.40 H new ATOM 0 HA SER A 15 10.530 -0.456 -9.299 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.330 -2.396 -7.784 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.611 -0.680 -8.007 1.00 0.39 H new ATOM 0 HG SER A 15 10.240 -0.700 -6.986 1.00 0.76 H new ATOM 217 N ARG A 16 12.934 -1.182 -10.503 1.00 0.57 N ATOM 218 CA ARG A 16 13.825 -1.445 -11.624 1.00 0.61 C ATOM 219 C ARG A 16 14.704 -2.662 -11.348 1.00 0.59 C ATOM 220 O ARG A 16 15.199 -3.305 -12.273 1.00 0.63 O ATOM 221 CB ARG A 16 14.701 -0.221 -11.906 1.00 0.69 C ATOM 222 CG ARG A 16 13.924 1.002 -12.372 1.00 1.14 C ATOM 223 CD ARG A 16 12.928 1.471 -11.321 1.00 1.37 C ATOM 224 NE ARG A 16 12.402 2.800 -11.616 1.00 2.19 N ATOM 225 CZ ARG A 16 11.310 3.302 -11.045 1.00 2.67 C ATOM 226 NH1 ARG A 16 10.635 2.584 -10.160 1.00 2.41 N ATOM 227 NH2 ARG A 16 10.895 4.521 -11.361 1.00 3.58 N ATOM 0 H ARG A 16 13.274 -0.473 -9.853 1.00 0.57 H new ATOM 0 HA ARG A 16 13.212 -1.654 -12.501 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.252 0.035 -11.001 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.438 -0.482 -12.666 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.619 1.810 -12.600 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.395 0.767 -13.295 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.104 0.761 -11.261 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.411 1.482 -10.344 1.00 1.37 H new ATOM 0 HE ARG A 16 12.898 3.375 -12.297 1.00 2.19 H new ATOM 0 HH11 ARG A 16 10.952 1.646 -9.916 1.00 2.41 H new ATOM 0 HH12 ARG A 16 9.798 2.969 -9.723 1.00 2.41 H new ATOM 0 HH21 ARG A 16 11.413 5.075 -12.043 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.058 4.904 -10.922 1.00 3.58 H new ATOM 238 N ASP A 17 14.896 -2.971 -10.070 1.00 0.58 N ATOM 239 CA ASP A 17 15.715 -4.110 -9.674 1.00 0.63 C ATOM 240 C ASP A 17 15.461 -4.478 -8.216 1.00 0.57 C ATOM 241 O ASP A 17 16.380 -4.860 -7.493 1.00 0.62 O ATOM 242 CB ASP A 17 17.197 -3.794 -9.882 1.00 0.77 C ATOM 243 CG ASP A 17 18.092 -4.976 -9.559 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.274 -5.843 -10.440 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.610 -5.036 -8.423 1.00 1.86 O ATOM 0 H ASP A 17 14.495 -2.448 -9.291 1.00 0.58 H new ATOM 0 HA ASP A 17 15.441 -4.960 -10.299 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.359 -3.491 -10.916 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.477 -2.948 -9.254 1.00 0.77 H new ATOM 249 N ILE A 18 14.203 -4.372 -7.793 1.00 0.51 N ATOM 250 CA ILE A 18 13.826 -4.690 -6.419 1.00 0.50 C ATOM 251 C ILE A 18 14.448 -6.009 -5.964 1.00 0.50 C ATOM 252 O ILE A 18 14.166 -7.068 -6.523 1.00 0.57 O ATOM 253 CB ILE A 18 12.291 -4.766 -6.259 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.920 -5.111 -4.814 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.699 -5.787 -7.222 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.430 -5.244 -4.591 1.00 0.56 C ATOM 0 H ILE A 18 13.428 -4.068 -8.383 1.00 0.51 H new ATOM 0 HA ILE A 18 14.207 -3.883 -5.792 1.00 0.50 H new ATOM 0 HB ILE A 18 11.872 -3.789 -6.499 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.406 -6.046 -4.535 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.311 -4.338 -4.152 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.617 -5.825 -7.093 1.00 0.47 H new ATOM 0 HG22 ILE A 18 11.932 -5.498 -8.247 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.123 -6.770 -7.016 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.239 -5.489 -3.546 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.940 -4.302 -4.838 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.036 -6.036 -5.227 1.00 0.56 H new ATOM 267 N SER A 19 15.306 -5.933 -4.950 1.00 0.57 N ATOM 268 CA SER A 19 15.967 -7.121 -4.418 1.00 0.59 C ATOM 269 C SER A 19 14.944 -8.076 -3.807 1.00 0.52 C ATOM 270 O SER A 19 13.858 -7.658 -3.406 1.00 0.50 O ATOM 271 CB SER A 19 17.007 -6.724 -3.368 1.00 0.70 C ATOM 272 OG SER A 19 17.979 -5.850 -3.919 1.00 1.50 O ATOM 0 H SER A 19 15.559 -5.063 -4.481 1.00 0.57 H new ATOM 0 HA SER A 19 16.471 -7.630 -5.239 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.512 -6.239 -2.526 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.495 -7.617 -2.979 1.00 0.70 H new ATOM 0 HG SER A 19 18.631 -5.609 -3.228 1.00 1.50 H new ATOM 277 N PRO A 20 15.279 -9.375 -3.730 1.00 0.54 N ATOM 278 CA PRO A 20 14.382 -10.390 -3.165 1.00 0.51 C ATOM 279 C PRO A 20 14.095 -10.145 -1.690 1.00 0.53 C ATOM 280 O PRO A 20 13.053 -10.545 -1.175 1.00 0.51 O ATOM 281 CB PRO A 20 15.151 -11.700 -3.349 1.00 0.55 C ATOM 282 CG PRO A 20 16.576 -11.288 -3.478 1.00 0.61 C ATOM 283 CD PRO A 20 16.553 -9.959 -4.178 1.00 0.61 C ATOM 0 HA PRO A 20 13.407 -10.386 -3.653 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.007 -12.366 -2.498 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.812 -12.237 -4.235 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.050 -11.207 -2.500 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.146 -12.021 -4.049 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.404 -9.339 -3.896 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.587 -10.072 -5.262 1.00 0.61 H new ATOM 288 N ALA A 21 15.029 -9.488 -1.012 1.00 0.58 N ATOM 289 CA ALA A 21 14.868 -9.185 0.406 1.00 0.64 C ATOM 290 C ALA A 21 13.514 -8.534 0.667 1.00 0.62 C ATOM 291 O ALA A 21 12.803 -8.903 1.602 1.00 0.65 O ATOM 292 CB ALA A 21 15.993 -8.281 0.882 1.00 0.71 C ATOM 0 H ALA A 21 15.903 -9.156 -1.419 1.00 0.58 H new ATOM 0 HA ALA A 21 14.911 -10.119 0.966 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.861 -8.063 1.942 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.950 -8.781 0.731 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.976 -7.350 0.315 1.00 0.71 H new ATOM 298 N TYR A 22 13.166 -7.560 -0.167 1.00 0.60 N ATOM 299 CA TYR A 22 11.896 -6.855 -0.038 1.00 0.61 C ATOM 300 C TYR A 22 10.780 -7.604 -0.765 1.00 0.54 C ATOM 301 O TYR A 22 9.654 -7.688 -0.276 1.00 0.57 O ATOM 302 CB TYR A 22 12.022 -5.435 -0.595 1.00 0.66 C ATOM 303 CG TYR A 22 13.054 -4.591 0.120 1.00 0.90 C ATOM 304 CD1 TYR A 22 12.776 -4.018 1.355 1.00 0.99 C ATOM 305 CD2 TYR A 22 14.305 -4.366 -0.441 1.00 1.28 C ATOM 306 CE1 TYR A 22 13.717 -3.246 2.011 1.00 1.34 C ATOM 307 CE2 TYR A 22 15.250 -3.595 0.208 1.00 1.72 C ATOM 308 CZ TYR A 22 14.950 -3.036 1.434 1.00 1.72 C ATOM 309 OH TYR A 22 15.888 -2.267 2.082 1.00 2.17 O ATOM 0 H TYR A 22 13.747 -7.240 -0.942 1.00 0.60 H new ATOM 0 HA TYR A 22 11.642 -6.803 1.021 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.280 -5.491 -1.652 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.053 -4.941 -0.529 1.00 0.66 H new ATOM 0 HD1 TYR A 22 11.810 -4.178 1.810 1.00 0.99 H new ATOM 0 HD2 TYR A 22 14.543 -4.801 -1.400 1.00 1.28 H new ATOM 0 HE1 TYR A 22 13.486 -2.810 2.972 1.00 1.34 H new ATOM 0 HE2 TYR A 22 16.218 -3.431 -0.241 1.00 1.72 H new ATOM 0 HH TYR A 22 16.703 -2.220 1.540 1.00 2.17 H new ATOM 318 N ARG A 23 11.103 -8.146 -1.936 1.00 0.48 N ATOM 319 CA ARG A 23 10.132 -8.884 -2.739 1.00 0.44 C ATOM 320 C ARG A 23 9.684 -10.157 -2.029 1.00 0.45 C ATOM 321 O ARG A 23 8.497 -10.345 -1.761 1.00 0.45 O ATOM 322 CB ARG A 23 10.732 -9.231 -4.103 1.00 0.45 C ATOM 323 CG ARG A 23 9.776 -9.973 -5.024 1.00 0.54 C ATOM 324 CD ARG A 23 8.568 -9.120 -5.376 1.00 0.53 C ATOM 325 NE ARG A 23 7.675 -9.793 -6.315 1.00 0.70 N ATOM 326 CZ ARG A 23 6.711 -9.172 -6.988 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.522 -7.869 -6.824 1.00 1.57 N ATOM 328 NH2 ARG A 23 5.939 -9.851 -7.824 1.00 1.47 N ATOM 0 H ARG A 23 12.033 -8.088 -2.351 1.00 0.48 H new ATOM 0 HA ARG A 23 9.259 -8.248 -2.881 1.00 0.44 H new ATOM 0 HB2 ARG A 23 11.053 -8.312 -4.593 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.623 -9.840 -3.953 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.298 -10.261 -5.937 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.445 -10.893 -4.542 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.020 -8.876 -4.466 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.904 -8.177 -5.808 1.00 0.53 H new ATOM 0 HE ARG A 23 7.797 -10.795 -6.463 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.116 -7.344 -6.182 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.783 -7.392 -7.340 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.084 -10.853 -7.952 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.200 -9.372 -8.339 1.00 1.47 H new ATOM 339 N GLN A 24 10.642 -11.030 -1.727 1.00 0.49 N ATOM 340 CA GLN A 24 10.355 -12.293 -1.049 1.00 0.55 C ATOM 341 C GLN A 24 9.372 -12.104 0.108 1.00 0.58 C ATOM 342 O GLN A 24 8.622 -13.019 0.449 1.00 0.66 O ATOM 343 CB GLN A 24 11.652 -12.915 -0.532 1.00 0.69 C ATOM 344 CG GLN A 24 11.439 -14.174 0.295 1.00 1.52 C ATOM 345 CD GLN A 24 12.745 -14.796 0.749 1.00 2.03 C ATOM 346 OE1 GLN A 24 13.315 -15.644 0.062 1.00 2.61 O ATOM 347 NE2 GLN A 24 13.225 -14.375 1.915 1.00 2.69 N ATOM 0 H GLN A 24 11.629 -10.885 -1.942 1.00 0.49 H new ATOM 0 HA GLN A 24 9.892 -12.961 -1.775 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.294 -13.152 -1.380 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.182 -12.179 0.073 1.00 0.69 H new ATOM 0 HG2 GLN A 24 10.832 -13.934 1.168 1.00 1.52 H new ATOM 0 HG3 GLN A 24 10.879 -14.901 -0.293 1.00 1.52 H new ATOM 0 HE21 GLN A 24 12.718 -13.670 2.451 1.00 2.69 H new ATOM 0 HE22 GLN A 24 14.100 -14.757 2.274 1.00 2.69 H new ATOM 354 N LYS A 25 9.378 -10.916 0.702 1.00 0.59 N ATOM 355 CA LYS A 25 8.487 -10.620 1.821 1.00 0.68 C ATOM 356 C LYS A 25 7.023 -10.646 1.385 1.00 0.61 C ATOM 357 O LYS A 25 6.152 -11.078 2.139 1.00 0.71 O ATOM 358 CB LYS A 25 8.825 -9.259 2.430 1.00 0.79 C ATOM 359 CG LYS A 25 10.113 -9.262 3.237 1.00 0.99 C ATOM 360 CD LYS A 25 10.365 -7.910 3.886 1.00 1.43 C ATOM 361 CE LYS A 25 11.569 -7.954 4.811 1.00 2.05 C ATOM 362 NZ LYS A 25 12.825 -8.269 4.076 1.00 2.59 N ATOM 0 H LYS A 25 9.987 -10.144 0.430 1.00 0.59 H new ATOM 0 HA LYS A 25 8.634 -11.394 2.575 1.00 0.68 H new ATOM 0 HB2 LYS A 25 8.907 -8.522 1.631 1.00 0.79 H new ATOM 0 HB3 LYS A 25 8.003 -8.942 3.072 1.00 0.79 H new ATOM 0 HG2 LYS A 25 10.060 -10.032 4.006 1.00 0.99 H new ATOM 0 HG3 LYS A 25 10.950 -9.517 2.588 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.526 -7.158 3.113 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.483 -7.605 4.449 1.00 1.43 H new ATOM 0 HE2 LYS A 25 11.675 -6.993 5.315 1.00 2.05 H new ATOM 0 HE3 LYS A 25 11.404 -8.703 5.585 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 13.185 -9.195 4.384 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 12.632 -8.295 3.054 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 13.537 -7.537 4.275 1.00 2.59 H new ATOM 372 N LEU A 26 6.759 -10.179 0.169 1.00 0.55 N ATOM 373 CA LEU A 26 5.397 -10.152 -0.357 1.00 0.57 C ATOM 374 C LEU A 26 4.978 -11.528 -0.862 1.00 0.60 C ATOM 375 O LEU A 26 3.872 -11.994 -0.582 1.00 0.68 O ATOM 376 CB LEU A 26 5.278 -9.124 -1.482 1.00 0.55 C ATOM 377 CG LEU A 26 5.367 -7.663 -1.040 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.735 -7.367 -0.443 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.079 -6.733 -2.209 1.00 1.29 C ATOM 0 H LEU A 26 7.467 -9.815 -0.469 1.00 0.55 H new ATOM 0 HA LEU A 26 4.730 -9.866 0.456 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.065 -9.315 -2.212 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.327 -9.275 -1.992 1.00 0.55 H new ATOM 0 HG LEU A 26 4.614 -7.490 -0.271 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.779 -6.323 -0.134 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.901 -8.008 0.423 1.00 1.30 H new ATOM 0 HD13 LEU A 26 7.507 -7.558 -1.189 1.00 1.30 H new ATOM 0 HD21 LEU A 26 5.147 -5.698 -1.875 1.00 1.29 H new ATOM 0 HD22 LEU A 26 5.807 -6.908 -3.001 1.00 1.29 H new ATOM 0 HD23 LEU A 26 4.076 -6.927 -2.589 1.00 1.29 H new ATOM 390 N LEU A 27 5.865 -12.174 -1.610 1.00 0.59 N ATOM 391 CA LEU A 27 5.590 -13.496 -2.156 1.00 0.71 C ATOM 392 C LEU A 27 5.093 -14.447 -1.070 1.00 0.82 C ATOM 393 O LEU A 27 4.391 -15.416 -1.355 1.00 0.95 O ATOM 394 CB LEU A 27 6.848 -14.068 -2.812 1.00 0.75 C ATOM 395 CG LEU A 27 7.357 -13.288 -4.024 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.649 -13.895 -4.544 1.00 0.82 C ATOM 397 CD2 LEU A 27 6.301 -13.259 -5.118 1.00 0.77 C ATOM 0 H LEU A 27 6.783 -11.802 -1.852 1.00 0.59 H new ATOM 0 HA LEU A 27 4.807 -13.394 -2.907 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.642 -14.109 -2.066 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.645 -15.094 -3.118 1.00 0.75 H new ATOM 0 HG LEU A 27 7.561 -12.263 -3.715 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.997 -13.327 -5.407 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.406 -13.865 -3.761 1.00 0.82 H new ATOM 0 HD13 LEU A 27 8.472 -14.930 -4.838 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.679 -12.700 -5.974 1.00 0.77 H new ATOM 0 HD22 LEU A 27 6.067 -14.278 -5.425 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.399 -12.778 -4.740 1.00 0.77 H new ATOM 408 N SER A 28 5.462 -14.162 0.174 1.00 0.84 N ATOM 409 CA SER A 28 5.056 -14.995 1.300 1.00 0.98 C ATOM 410 C SER A 28 3.537 -15.101 1.383 1.00 0.89 C ATOM 411 O SER A 28 2.989 -16.194 1.532 1.00 0.99 O ATOM 412 CB SER A 28 5.611 -14.432 2.609 1.00 1.15 C ATOM 413 OG SER A 28 7.027 -14.384 2.584 1.00 1.64 O ATOM 0 H SER A 28 6.041 -13.361 0.428 1.00 0.84 H new ATOM 0 HA SER A 28 5.463 -15.994 1.141 1.00 0.98 H new ATOM 0 HB2 SER A 28 5.213 -13.431 2.776 1.00 1.15 H new ATOM 0 HB3 SER A 28 5.280 -15.050 3.444 1.00 1.15 H new ATOM 0 HG SER A 28 7.322 -13.808 1.848 1.00 1.64 H new ATOM 418 N LEU A 29 2.860 -13.962 1.290 1.00 0.78 N ATOM 419 CA LEU A 29 1.404 -13.931 1.356 1.00 0.78 C ATOM 420 C LEU A 29 0.792 -14.169 -0.020 1.00 0.74 C ATOM 421 O LEU A 29 -0.344 -14.631 -0.134 1.00 0.82 O ATOM 422 CB LEU A 29 0.922 -12.591 1.919 1.00 0.86 C ATOM 423 CG LEU A 29 1.298 -12.327 3.379 1.00 1.06 C ATOM 424 CD1 LEU A 29 2.810 -12.296 3.547 1.00 1.64 C ATOM 425 CD2 LEU A 29 0.678 -11.022 3.859 1.00 1.42 C ATOM 0 H LEU A 29 3.296 -13.048 1.169 1.00 0.78 H new ATOM 0 HA LEU A 29 1.080 -14.731 2.021 1.00 0.78 H new ATOM 0 HB2 LEU A 29 1.330 -11.789 1.304 1.00 0.86 H new ATOM 0 HB3 LEU A 29 -0.163 -12.544 1.825 1.00 0.86 H new ATOM 0 HG LEU A 29 0.905 -13.141 3.989 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.056 -12.107 4.592 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.230 -13.255 3.243 1.00 1.64 H new ATOM 0 HD13 LEU A 29 3.229 -11.504 2.927 1.00 1.64 H new ATOM 0 HD21 LEU A 29 0.955 -10.849 4.899 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.042 -10.199 3.244 1.00 1.42 H new ATOM 0 HD23 LEU A 29 -0.407 -11.083 3.778 1.00 1.42 H new ATOM 436 N GLY A 30 1.551 -13.853 -1.063 1.00 0.68 N ATOM 437 CA GLY A 30 1.065 -14.042 -2.417 1.00 0.73 C ATOM 438 C GLY A 30 0.445 -12.787 -2.998 1.00 0.71 C ATOM 439 O GLY A 30 -0.435 -12.861 -3.855 1.00 0.82 O ATOM 0 H GLY A 30 2.494 -13.469 -0.995 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.890 -14.362 -3.053 1.00 0.73 H new ATOM 0 HA3 GLY A 30 0.327 -14.844 -2.425 1.00 0.73 H new ATOM 443 N MET A 31 0.901 -11.632 -2.529 1.00 0.63 N ATOM 444 CA MET A 31 0.385 -10.358 -3.013 1.00 0.66 C ATOM 445 C MET A 31 1.272 -9.804 -4.125 1.00 0.56 C ATOM 446 O MET A 31 2.323 -9.218 -3.865 1.00 0.54 O ATOM 447 CB MET A 31 0.289 -9.352 -1.863 1.00 0.74 C ATOM 448 CG MET A 31 -0.589 -9.825 -0.716 1.00 0.94 C ATOM 449 SD MET A 31 -2.286 -10.155 -1.230 1.00 1.95 S ATOM 450 CE MET A 31 -3.017 -10.682 0.316 1.00 2.55 C ATOM 0 H MET A 31 1.626 -11.551 -1.816 1.00 0.63 H new ATOM 0 HA MET A 31 -0.613 -10.525 -3.419 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.291 -9.149 -1.484 1.00 0.74 H new ATOM 0 HB3 MET A 31 -0.104 -8.410 -2.246 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.161 -10.731 -0.286 1.00 0.94 H new ATOM 0 HG3 MET A 31 -0.592 -9.069 0.070 1.00 0.94 H new ATOM 0 HE1 MET A 31 -3.918 -11.261 0.114 1.00 2.55 H new ATOM 0 HE2 MET A 31 -2.304 -11.298 0.864 1.00 2.55 H new ATOM 0 HE3 MET A 31 -3.275 -9.807 0.913 1.00 2.55 H new ATOM 458 N LEU A 32 0.843 -10.004 -5.367 1.00 0.56 N ATOM 459 CA LEU A 32 1.592 -9.532 -6.527 1.00 0.49 C ATOM 460 C LEU A 32 1.135 -8.134 -6.936 1.00 0.44 C ATOM 461 O LEU A 32 0.037 -7.705 -6.584 1.00 0.45 O ATOM 462 CB LEU A 32 1.414 -10.496 -7.703 1.00 0.52 C ATOM 463 CG LEU A 32 2.009 -11.891 -7.503 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.263 -12.642 -6.411 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.976 -12.673 -8.808 1.00 0.66 C ATOM 0 H LEU A 32 -0.023 -10.492 -5.597 1.00 0.56 H new ATOM 0 HA LEU A 32 2.646 -9.490 -6.253 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.348 -10.600 -7.908 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.867 -10.050 -8.588 1.00 0.52 H new ATOM 0 HG LEU A 32 3.048 -11.781 -7.191 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.702 -13.632 -6.285 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.337 -12.090 -5.474 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.214 -12.743 -6.690 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.403 -13.663 -8.650 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.945 -12.772 -9.147 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.557 -12.144 -9.564 1.00 0.66 H new ATOM 476 N PRO A 33 1.975 -7.404 -7.692 1.00 0.41 N ATOM 477 CA PRO A 33 1.646 -6.055 -8.154 1.00 0.40 C ATOM 478 C PRO A 33 0.204 -5.948 -8.634 1.00 0.38 C ATOM 479 O PRO A 33 -0.182 -6.565 -9.626 1.00 0.51 O ATOM 480 CB PRO A 33 2.621 -5.846 -9.309 1.00 0.43 C ATOM 481 CG PRO A 33 3.820 -6.641 -8.927 1.00 0.45 C ATOM 482 CD PRO A 33 3.310 -7.832 -8.155 1.00 0.43 C ATOM 0 HA PRO A 33 1.732 -5.309 -7.364 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.199 -6.191 -10.253 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.867 -4.792 -9.436 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.374 -6.959 -9.811 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.503 -6.047 -8.319 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.250 -8.721 -8.783 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.964 -8.077 -7.318 1.00 0.43 H new ATOM 487 N GLY A 34 -0.588 -5.159 -7.917 1.00 0.34 N ATOM 488 CA GLY A 34 -1.984 -4.985 -8.272 1.00 0.33 C ATOM 489 C GLY A 34 -2.924 -5.421 -7.162 1.00 0.31 C ATOM 490 O GLY A 34 -4.073 -5.780 -7.421 1.00 0.40 O ATOM 0 H GLY A 34 -0.287 -4.636 -7.095 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.168 -3.937 -8.509 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.201 -5.558 -9.173 1.00 0.33 H new ATOM 494 N SER A 35 -2.436 -5.390 -5.924 1.00 0.28 N ATOM 495 CA SER A 35 -3.244 -5.784 -4.774 1.00 0.28 C ATOM 496 C SER A 35 -3.900 -4.564 -4.137 1.00 0.28 C ATOM 497 O SER A 35 -3.634 -3.431 -4.533 1.00 0.37 O ATOM 498 CB SER A 35 -2.388 -6.516 -3.738 1.00 0.31 C ATOM 499 OG SER A 35 -3.168 -6.918 -2.624 1.00 0.62 O ATOM 0 H SER A 35 -1.487 -5.097 -5.692 1.00 0.28 H new ATOM 0 HA SER A 35 -4.024 -6.460 -5.125 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.925 -7.390 -4.196 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.580 -5.865 -3.404 1.00 0.31 H new ATOM 0 HG SER A 35 -2.877 -7.804 -2.324 1.00 0.62 H new ATOM 504 N SER A 36 -4.760 -4.804 -3.153 1.00 0.25 N ATOM 505 CA SER A 36 -5.451 -3.719 -2.468 1.00 0.25 C ATOM 506 C SER A 36 -5.106 -3.700 -0.981 1.00 0.23 C ATOM 507 O SER A 36 -4.878 -4.746 -0.373 1.00 0.28 O ATOM 508 CB SER A 36 -6.964 -3.854 -2.648 1.00 0.30 C ATOM 509 OG SER A 36 -7.321 -3.795 -4.018 1.00 1.30 O ATOM 0 H SER A 36 -4.994 -5.737 -2.813 1.00 0.25 H new ATOM 0 HA SER A 36 -5.120 -2.779 -2.911 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.301 -4.798 -2.221 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.471 -3.058 -2.102 1.00 0.30 H new ATOM 0 HG SER A 36 -8.293 -3.885 -4.107 1.00 1.30 H new ATOM 514 N PHE A 37 -5.068 -2.504 -0.406 1.00 0.22 N ATOM 515 CA PHE A 37 -4.755 -2.345 1.009 1.00 0.23 C ATOM 516 C PHE A 37 -5.160 -0.959 1.499 1.00 0.23 C ATOM 517 O PHE A 37 -5.785 -0.191 0.768 1.00 0.33 O ATOM 518 CB PHE A 37 -3.263 -2.573 1.255 1.00 0.25 C ATOM 519 CG PHE A 37 -2.387 -1.467 0.736 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.176 -1.313 -0.626 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.775 -0.582 1.610 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.372 -0.298 -1.105 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.967 0.435 1.135 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.765 0.577 -0.224 1.00 0.33 C ATOM 0 H PHE A 37 -5.250 -1.629 -0.898 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.322 -3.090 1.568 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -3.094 -2.686 2.326 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.966 -3.510 0.785 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.646 -1.995 -1.320 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.931 -0.688 2.673 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.217 -0.188 -2.168 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.494 1.117 1.826 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.134 1.370 -0.597 1.00 0.33 H new ATOM 533 N HIS A 38 -4.802 -0.645 2.739 1.00 0.21 N ATOM 534 CA HIS A 38 -5.129 0.651 3.319 1.00 0.24 C ATOM 535 C HIS A 38 -3.943 1.218 4.091 1.00 0.24 C ATOM 536 O HIS A 38 -3.035 0.485 4.481 1.00 0.40 O ATOM 537 CB HIS A 38 -6.340 0.529 4.245 1.00 0.28 C ATOM 538 CG HIS A 38 -7.562 -0.007 3.568 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.899 -1.343 3.570 1.00 2.13 N ATOM 540 CD2 HIS A 38 -8.535 0.623 2.868 1.00 1.98 C ATOM 541 CE1 HIS A 38 -9.026 -1.513 2.901 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.432 -0.335 2.464 1.00 2.82 N ATOM 0 H HIS A 38 -4.287 -1.269 3.360 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.369 1.333 2.504 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.083 -0.122 5.081 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.567 1.510 4.663 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.594 1.682 2.665 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.529 -2.455 2.739 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -10.275 -0.164 1.916 1.00 2.82 H new ATOM 550 N VAL A 39 -3.960 2.528 4.308 1.00 0.27 N ATOM 551 CA VAL A 39 -2.889 3.199 5.035 1.00 0.27 C ATOM 552 C VAL A 39 -3.299 3.470 6.480 1.00 0.28 C ATOM 553 O VAL A 39 -4.386 3.986 6.739 1.00 0.40 O ATOM 554 CB VAL A 39 -2.504 4.530 4.361 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.819 4.277 3.026 1.00 1.28 C ATOM 556 CG2 VAL A 39 -3.731 5.409 4.178 1.00 0.88 C ATOM 0 H VAL A 39 -4.705 3.148 3.990 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.026 2.533 5.023 1.00 0.27 H new ATOM 0 HB VAL A 39 -1.802 5.053 5.010 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.555 5.229 2.566 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -0.915 3.689 3.186 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -2.495 3.731 2.368 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -3.440 6.345 3.701 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -4.458 4.893 3.551 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -4.175 5.621 5.151 1.00 0.88 H new ATOM 566 N VAL A 40 -2.422 3.116 7.417 1.00 0.24 N ATOM 567 CA VAL A 40 -2.700 3.317 8.836 1.00 0.34 C ATOM 568 C VAL A 40 -2.224 4.689 9.313 1.00 0.37 C ATOM 569 O VAL A 40 -2.965 5.410 9.982 1.00 0.54 O ATOM 570 CB VAL A 40 -2.037 2.222 9.697 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.325 2.447 11.174 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.515 0.844 9.263 1.00 0.43 C ATOM 0 H VAL A 40 -1.516 2.690 7.220 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.782 3.259 8.954 1.00 0.34 H new ATOM 0 HB VAL A 40 -0.958 2.277 9.550 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.847 1.663 11.761 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.933 3.418 11.477 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.402 2.422 11.343 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.038 0.082 9.880 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.597 0.781 9.380 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.253 0.680 8.218 1.00 0.43 H new ATOM 582 N ARG A 41 -0.988 5.047 8.971 1.00 0.27 N ATOM 583 CA ARG A 41 -0.430 6.335 9.376 1.00 0.31 C ATOM 584 C ARG A 41 0.910 6.602 8.691 1.00 0.31 C ATOM 585 O ARG A 41 1.859 5.834 8.845 1.00 0.40 O ATOM 586 CB ARG A 41 -0.253 6.377 10.894 1.00 0.40 C ATOM 587 CG ARG A 41 0.703 5.319 11.421 1.00 0.47 C ATOM 588 CD ARG A 41 0.797 5.357 12.938 1.00 0.57 C ATOM 589 NE ARG A 41 1.757 4.382 13.449 1.00 1.37 N ATOM 590 CZ ARG A 41 1.839 4.026 14.727 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.022 4.563 15.622 1.00 0.94 N ATOM 592 NH2 ARG A 41 2.740 3.132 15.111 1.00 2.80 N ATOM 0 H ARG A 41 -0.357 4.467 8.418 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.129 7.113 9.070 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.113 7.362 11.182 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.225 6.246 11.369 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.367 4.333 11.101 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.692 5.474 10.990 1.00 0.47 H new ATOM 0 HD2 ARG A 41 1.090 6.357 13.259 1.00 0.57 H new ATOM 0 HD3 ARG A 41 -0.185 5.159 13.368 1.00 0.57 H new ATOM 0 HE ARG A 41 2.401 3.949 12.787 1.00 1.37 H new ATOM 0 HH11 ARG A 41 0.328 5.251 15.331 1.00 0.94 H new ATOM 0 HH12 ARG A 41 1.087 4.288 16.602 1.00 0.94 H new ATOM 0 HH21 ARG A 41 3.371 2.717 14.425 1.00 2.80 H new ATOM 0 HH22 ARG A 41 2.802 2.859 16.092 1.00 2.80 H new ATOM 603 N VAL A 42 0.978 7.698 7.939 1.00 0.33 N ATOM 604 CA VAL A 42 2.200 8.073 7.235 1.00 0.39 C ATOM 605 C VAL A 42 2.332 9.590 7.134 1.00 0.43 C ATOM 606 O VAL A 42 1.351 10.319 7.278 1.00 0.49 O ATOM 607 CB VAL A 42 2.235 7.474 5.814 1.00 0.52 C ATOM 608 CG1 VAL A 42 1.130 8.066 4.957 1.00 0.97 C ATOM 609 CG2 VAL A 42 3.596 7.698 5.172 1.00 1.20 C ATOM 0 H VAL A 42 0.199 8.342 7.802 1.00 0.33 H new ATOM 0 HA VAL A 42 3.033 7.674 7.813 1.00 0.39 H new ATOM 0 HB VAL A 42 2.068 6.400 5.890 1.00 0.52 H new ATOM 0 HG11 VAL A 42 1.171 7.631 3.958 1.00 0.97 H new ATOM 0 HG12 VAL A 42 0.162 7.847 5.409 1.00 0.97 H new ATOM 0 HG13 VAL A 42 1.262 9.146 4.888 1.00 0.97 H new ATOM 0 HG21 VAL A 42 3.601 7.268 4.170 1.00 1.20 H new ATOM 0 HG22 VAL A 42 3.797 8.767 5.109 1.00 1.20 H new ATOM 0 HG23 VAL A 42 4.367 7.219 5.776 1.00 1.20 H new ATOM 619 N ALA A 43 3.551 10.061 6.886 1.00 0.47 N ATOM 620 CA ALA A 43 3.808 11.491 6.763 1.00 0.55 C ATOM 621 C ALA A 43 4.570 11.802 5.477 1.00 0.69 C ATOM 622 O ALA A 43 5.441 11.037 5.065 1.00 0.81 O ATOM 623 CB ALA A 43 4.583 11.993 7.971 1.00 0.55 C ATOM 0 H ALA A 43 4.376 9.473 6.766 1.00 0.47 H new ATOM 0 HA ALA A 43 2.848 12.006 6.721 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.768 13.062 7.866 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.003 11.812 8.876 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.534 11.465 8.038 1.00 0.55 H new ATOM 629 N PRO A 44 4.253 12.935 4.826 1.00 0.83 N ATOM 630 CA PRO A 44 4.917 13.341 3.581 1.00 1.00 C ATOM 631 C PRO A 44 6.423 13.515 3.752 1.00 0.98 C ATOM 632 O PRO A 44 7.176 13.449 2.781 1.00 1.15 O ATOM 633 CB PRO A 44 4.265 14.685 3.240 1.00 1.14 C ATOM 634 CG PRO A 44 2.981 14.702 3.993 1.00 1.34 C ATOM 635 CD PRO A 44 3.225 13.905 5.242 1.00 1.00 C ATOM 0 HA PRO A 44 4.802 12.587 2.803 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.904 15.518 3.534 1.00 1.14 H new ATOM 0 HB3 PRO A 44 4.093 14.778 2.168 1.00 1.14 H new ATOM 0 HG2 PRO A 44 2.683 15.723 4.233 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.176 14.265 3.402 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.573 14.535 6.060 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.318 13.408 5.586 1.00 1.00 H new ATOM 640 N LEU A 45 6.856 13.739 4.990 1.00 0.85 N ATOM 641 CA LEU A 45 8.273 13.928 5.278 1.00 0.90 C ATOM 642 C LEU A 45 9.034 12.607 5.201 1.00 0.91 C ATOM 643 O LEU A 45 9.780 12.366 4.253 1.00 1.23 O ATOM 644 CB LEU A 45 8.459 14.557 6.660 1.00 0.90 C ATOM 645 CG LEU A 45 7.778 15.912 6.856 1.00 1.76 C ATOM 646 CD1 LEU A 45 8.169 16.515 8.196 1.00 2.51 C ATOM 647 CD2 LEU A 45 8.136 16.856 5.718 1.00 2.25 C ATOM 0 H LEU A 45 6.247 13.794 5.807 1.00 0.85 H new ATOM 0 HA LEU A 45 8.678 14.601 4.522 1.00 0.90 H new ATOM 0 HB2 LEU A 45 8.078 13.865 7.411 1.00 0.90 H new ATOM 0 HB3 LEU A 45 9.526 14.674 6.847 1.00 0.90 H new ATOM 0 HG LEU A 45 6.698 15.761 6.850 1.00 1.76 H new ATOM 0 HD11 LEU A 45 7.675 17.479 8.319 1.00 2.51 H new ATOM 0 HD12 LEU A 45 7.863 15.845 9.000 1.00 2.51 H new ATOM 0 HD13 LEU A 45 9.250 16.654 8.231 1.00 2.51 H new ATOM 0 HD21 LEU A 45 7.643 17.816 5.873 1.00 2.25 H new ATOM 0 HD22 LEU A 45 9.216 17.002 5.693 1.00 2.25 H new ATOM 0 HD23 LEU A 45 7.806 16.427 4.772 1.00 2.25 H new ATOM 658 N GLY A 46 8.843 11.756 6.204 1.00 0.72 N ATOM 659 CA GLY A 46 9.522 10.472 6.229 1.00 0.72 C ATOM 660 C GLY A 46 9.374 9.767 7.564 1.00 0.66 C ATOM 661 O GLY A 46 10.177 9.971 8.474 1.00 0.77 O ATOM 0 H GLY A 46 8.230 11.932 7.000 1.00 0.72 H new ATOM 0 HA2 GLY A 46 9.122 9.837 5.439 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.580 10.619 6.014 1.00 0.72 H new ATOM 665 N ASP A 47 8.345 8.935 7.678 1.00 0.53 N ATOM 666 CA ASP A 47 8.085 8.197 8.910 1.00 0.49 C ATOM 667 C ASP A 47 7.675 6.759 8.602 1.00 0.46 C ATOM 668 O ASP A 47 7.453 6.407 7.444 1.00 0.46 O ATOM 669 CB ASP A 47 6.991 8.904 9.716 1.00 0.45 C ATOM 670 CG ASP A 47 7.397 10.304 10.137 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.273 11.232 9.311 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.839 10.471 11.292 1.00 1.07 O ATOM 0 H ASP A 47 7.675 8.754 6.930 1.00 0.53 H new ATOM 0 HA ASP A 47 9.000 8.168 9.501 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.080 8.957 9.119 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.758 8.314 10.602 1.00 0.45 H new ATOM 676 N PRO A 48 7.571 5.905 9.636 1.00 0.47 N ATOM 677 CA PRO A 48 7.186 4.509 9.474 1.00 0.47 C ATOM 678 C PRO A 48 5.673 4.336 9.439 1.00 0.37 C ATOM 679 O PRO A 48 4.980 4.624 10.414 1.00 0.38 O ATOM 680 CB PRO A 48 7.773 3.820 10.719 1.00 0.56 C ATOM 681 CG PRO A 48 8.385 4.907 11.555 1.00 0.61 C ATOM 682 CD PRO A 48 7.849 6.214 11.037 1.00 0.53 C ATOM 0 HA PRO A 48 7.550 4.093 8.534 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.997 3.294 11.274 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.521 3.079 10.437 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.130 4.775 12.606 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.472 4.881 11.485 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.951 6.525 11.571 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.575 7.020 11.139 1.00 0.53 H new ATOM 687 N VAL A 49 5.172 3.865 8.303 1.00 0.32 N ATOM 688 CA VAL A 49 3.741 3.662 8.120 1.00 0.26 C ATOM 689 C VAL A 49 3.399 2.177 8.023 1.00 0.28 C ATOM 690 O VAL A 49 4.117 1.401 7.393 1.00 0.39 O ATOM 691 CB VAL A 49 3.248 4.396 6.854 1.00 0.27 C ATOM 692 CG1 VAL A 49 4.137 4.058 5.667 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.791 4.061 6.550 1.00 0.31 C ATOM 0 H VAL A 49 5.739 3.616 7.492 1.00 0.32 H new ATOM 0 HA VAL A 49 3.235 4.074 8.993 1.00 0.26 H new ATOM 0 HB VAL A 49 3.308 5.468 7.041 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.777 4.583 4.782 1.00 0.35 H new ATOM 0 HG12 VAL A 49 5.161 4.366 5.880 1.00 0.35 H new ATOM 0 HG13 VAL A 49 4.111 2.983 5.487 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.475 4.594 5.653 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.690 2.988 6.389 1.00 0.31 H new ATOM 0 HG23 VAL A 49 1.165 4.362 7.390 1.00 0.31 H new ATOM 703 N HIS A 50 2.290 1.795 8.649 1.00 0.29 N ATOM 704 CA HIS A 50 1.841 0.409 8.631 1.00 0.31 C ATOM 705 C HIS A 50 0.706 0.228 7.628 1.00 0.29 C ATOM 706 O HIS A 50 -0.259 0.992 7.624 1.00 0.31 O ATOM 707 CB HIS A 50 1.378 -0.020 10.025 1.00 0.34 C ATOM 708 CG HIS A 50 2.452 0.054 11.067 1.00 0.37 C ATOM 709 ND1 HIS A 50 3.001 -1.062 11.663 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.076 1.120 11.623 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.913 -0.688 12.540 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.980 0.631 12.536 1.00 0.68 N ATOM 0 H HIS A 50 1.686 2.427 9.175 1.00 0.29 H new ATOM 0 HA HIS A 50 2.680 -0.218 8.329 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.544 0.611 10.331 1.00 0.34 H new ATOM 0 HB3 HIS A 50 1.003 -1.042 9.975 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.897 2.160 11.392 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.504 -1.349 13.157 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.601 1.195 13.116 1.00 0.68 H new ATOM 720 N ILE A 51 0.830 -0.784 6.776 1.00 0.32 N ATOM 721 CA ILE A 51 -0.186 -1.063 5.769 1.00 0.32 C ATOM 722 C ILE A 51 -1.139 -2.155 6.242 1.00 0.32 C ATOM 723 O ILE A 51 -0.740 -3.065 6.967 1.00 0.31 O ATOM 724 CB ILE A 51 0.447 -1.493 4.433 1.00 0.34 C ATOM 725 CG1 ILE A 51 1.266 -2.771 4.619 1.00 0.34 C ATOM 726 CG2 ILE A 51 1.315 -0.377 3.874 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.860 -3.300 3.331 1.00 0.36 C ATOM 0 H ILE A 51 1.624 -1.424 6.763 1.00 0.32 H new ATOM 0 HA ILE A 51 -0.742 -0.138 5.615 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.351 -1.697 3.719 1.00 0.34 H new ATOM 0 HG12 ILE A 51 2.071 -2.577 5.328 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.631 -3.539 5.059 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.755 -0.697 2.930 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.704 0.510 3.708 1.00 0.36 H new ATOM 0 HG23 ILE A 51 2.109 -0.143 4.584 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.428 -4.207 3.538 1.00 0.36 H new ATOM 0 HD12 ILE A 51 1.059 -3.525 2.627 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.522 -2.549 2.900 1.00 0.36 H new ATOM 738 N GLU A 52 -2.398 -2.058 5.829 1.00 0.36 N ATOM 739 CA GLU A 52 -3.405 -3.041 6.211 1.00 0.39 C ATOM 740 C GLU A 52 -3.828 -3.878 5.009 1.00 0.42 C ATOM 741 O GLU A 52 -4.334 -3.350 4.020 1.00 0.43 O ATOM 742 CB GLU A 52 -4.626 -2.346 6.818 1.00 0.45 C ATOM 743 CG GLU A 52 -5.719 -3.308 7.252 1.00 1.01 C ATOM 744 CD GLU A 52 -5.262 -4.252 8.346 1.00 1.46 C ATOM 745 OE1 GLU A 52 -4.630 -5.278 8.018 1.00 2.13 O ATOM 746 OE2 GLU A 52 -5.538 -3.965 9.532 1.00 1.91 O ATOM 0 H GLU A 52 -2.745 -1.309 5.230 1.00 0.36 H new ATOM 0 HA GLU A 52 -2.966 -3.703 6.958 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.308 -1.758 7.679 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.036 -1.648 6.089 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.580 -2.740 7.604 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -6.050 -3.888 6.391 1.00 1.01 H new ATOM 751 N THR A 53 -3.619 -5.187 5.103 1.00 0.52 N ATOM 752 CA THR A 53 -3.975 -6.095 4.020 1.00 0.58 C ATOM 753 C THR A 53 -4.855 -7.236 4.523 1.00 0.61 C ATOM 754 O THR A 53 -5.428 -7.158 5.610 1.00 0.60 O ATOM 755 CB THR A 53 -2.720 -6.678 3.345 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.126 -7.670 4.190 1.00 0.55 O ATOM 757 CG2 THR A 53 -1.706 -5.580 3.058 1.00 0.64 C ATOM 0 H THR A 53 -3.205 -5.642 5.917 1.00 0.52 H new ATOM 0 HA THR A 53 -4.533 -5.513 3.287 1.00 0.58 H new ATOM 0 HB THR A 53 -3.019 -7.136 2.402 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.269 -7.428 5.129 1.00 0.55 H new ATOM 0 HG21 THR A 53 -0.827 -6.013 2.581 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.151 -4.838 2.395 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.413 -5.102 3.993 1.00 0.64 H new ATOM 765 N ARG A 54 -4.957 -8.295 3.728 1.00 0.68 N ATOM 766 CA ARG A 54 -5.772 -9.451 4.085 1.00 0.73 C ATOM 767 C ARG A 54 -5.498 -9.921 5.510 1.00 0.67 C ATOM 768 O ARG A 54 -4.545 -10.658 5.764 1.00 0.69 O ATOM 769 CB ARG A 54 -5.529 -10.596 3.104 1.00 0.84 C ATOM 770 CG ARG A 54 -6.014 -10.303 1.695 1.00 1.47 C ATOM 771 CD ARG A 54 -7.483 -9.911 1.687 1.00 1.53 C ATOM 772 NE ARG A 54 -7.987 -9.708 0.331 1.00 2.10 N ATOM 773 CZ ARG A 54 -9.087 -9.016 0.051 1.00 2.32 C ATOM 774 NH1 ARG A 54 -9.781 -8.443 1.025 1.00 1.97 N ATOM 775 NH2 ARG A 54 -9.490 -8.892 -1.206 1.00 3.04 N ATOM 0 H ARG A 54 -4.483 -8.377 2.828 1.00 0.68 H new ATOM 0 HA ARG A 54 -6.816 -9.142 4.030 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -4.462 -10.817 3.073 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.029 -11.491 3.473 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -5.418 -9.499 1.263 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -5.866 -11.182 1.067 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.068 -10.688 2.179 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -7.618 -8.996 2.265 1.00 1.53 H new ATOM 0 HE ARG A 54 -7.466 -10.120 -0.443 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -9.471 -8.532 1.993 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -10.625 -7.913 0.806 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -8.956 -9.328 -1.958 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -10.334 -8.361 -1.421 1.00 3.04 H new ATOM 786 N ARG A 55 -6.343 -9.483 6.438 1.00 0.66 N ATOM 787 CA ARG A 55 -6.228 -9.863 7.839 1.00 0.66 C ATOM 788 C ARG A 55 -4.784 -9.814 8.336 1.00 0.62 C ATOM 789 O ARG A 55 -4.383 -10.624 9.171 1.00 0.70 O ATOM 790 CB ARG A 55 -6.791 -11.269 8.044 1.00 0.73 C ATOM 791 CG ARG A 55 -8.237 -11.412 7.600 1.00 1.06 C ATOM 792 CD ARG A 55 -8.740 -12.832 7.807 1.00 1.67 C ATOM 793 NE ARG A 55 -8.677 -13.233 9.208 1.00 2.43 N ATOM 794 CZ ARG A 55 -8.750 -14.494 9.616 1.00 3.17 C ATOM 795 NH1 ARG A 55 -8.890 -15.473 8.733 1.00 3.34 N ATOM 796 NH2 ARG A 55 -8.683 -14.780 10.910 1.00 4.11 N ATOM 0 H ARG A 55 -7.124 -8.857 6.240 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.802 -9.140 8.419 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.178 -11.982 7.493 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.715 -11.532 9.099 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.862 -10.717 8.160 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.325 -11.142 6.548 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -9.768 -12.908 7.454 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -8.145 -13.519 7.206 1.00 1.67 H new ATOM 0 HE ARG A 55 -8.571 -12.504 9.913 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -8.942 -15.258 7.737 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -8.946 -16.441 9.049 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -8.575 -14.030 11.593 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -8.739 -15.750 11.222 1.00 4.11 H new ATOM 807 N VAL A 56 -4.008 -8.862 7.831 1.00 0.58 N ATOM 808 CA VAL A 56 -2.617 -8.728 8.244 1.00 0.57 C ATOM 809 C VAL A 56 -2.084 -7.335 7.939 1.00 0.49 C ATOM 810 O VAL A 56 -2.141 -6.870 6.800 1.00 0.50 O ATOM 811 CB VAL A 56 -1.722 -9.777 7.560 1.00 0.66 C ATOM 812 CG1 VAL A 56 -1.657 -9.535 6.062 1.00 1.02 C ATOM 813 CG2 VAL A 56 -0.329 -9.767 8.170 1.00 1.23 C ATOM 0 H VAL A 56 -4.315 -8.177 7.141 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.590 -8.892 9.321 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.160 -10.761 7.724 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -1.019 -10.288 5.599 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -2.660 -9.599 5.639 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -1.246 -8.544 5.871 1.00 1.02 H new ATOM 0 HG21 VAL A 56 0.290 -10.515 7.675 1.00 1.23 H new ATOM 0 HG22 VAL A 56 0.118 -8.781 8.040 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -0.396 -9.998 9.233 1.00 1.23 H new ATOM 823 N SER A 57 -1.562 -6.672 8.966 1.00 0.48 N ATOM 824 CA SER A 57 -1.024 -5.328 8.812 1.00 0.43 C ATOM 825 C SER A 57 0.502 -5.335 8.847 1.00 0.42 C ATOM 826 O SER A 57 1.109 -5.622 9.879 1.00 0.46 O ATOM 827 CB SER A 57 -1.564 -4.412 9.912 1.00 0.51 C ATOM 828 OG SER A 57 -1.057 -3.095 9.776 1.00 0.64 O ATOM 0 H SER A 57 -1.501 -7.045 9.913 1.00 0.48 H new ATOM 0 HA SER A 57 -1.342 -4.951 7.840 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.653 -4.392 9.870 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.290 -4.811 10.889 1.00 0.51 H new ATOM 0 HG SER A 57 -0.882 -2.908 8.830 1.00 0.64 H new ATOM 833 N LEU A 58 1.115 -5.020 7.711 1.00 0.38 N ATOM 834 CA LEU A 58 2.570 -4.980 7.613 1.00 0.40 C ATOM 835 C LEU A 58 3.089 -3.575 7.911 1.00 0.37 C ATOM 836 O LEU A 58 2.310 -2.630 8.025 1.00 0.38 O ATOM 837 CB LEU A 58 3.025 -5.421 6.220 1.00 0.43 C ATOM 838 CG LEU A 58 2.704 -6.873 5.867 1.00 0.96 C ATOM 839 CD1 LEU A 58 3.189 -7.203 4.465 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.329 -7.817 6.885 1.00 1.54 C ATOM 0 H LEU A 58 0.627 -4.789 6.845 1.00 0.38 H new ATOM 0 HA LEU A 58 2.980 -5.669 8.351 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.559 -4.771 5.479 1.00 0.43 H new ATOM 0 HB3 LEU A 58 4.102 -5.273 6.142 1.00 0.43 H new ATOM 0 HG LEU A 58 1.622 -7.003 5.893 1.00 0.96 H new ATOM 0 HD11 LEU A 58 2.951 -8.241 4.233 1.00 1.50 H new ATOM 0 HD12 LEU A 58 2.697 -6.548 3.746 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.268 -7.057 4.409 1.00 1.50 H new ATOM 0 HD21 LEU A 58 3.091 -8.847 6.620 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.411 -7.684 6.889 1.00 1.54 H new ATOM 0 HD23 LEU A 58 2.933 -7.597 7.876 1.00 1.54 H new ATOM 851 N VAL A 59 4.406 -3.445 8.034 1.00 0.41 N ATOM 852 CA VAL A 59 5.019 -2.155 8.322 1.00 0.40 C ATOM 853 C VAL A 59 6.046 -1.781 7.255 1.00 0.40 C ATOM 854 O VAL A 59 6.894 -2.592 6.884 1.00 0.47 O ATOM 855 CB VAL A 59 5.702 -2.151 9.701 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.796 -3.207 9.760 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.262 -0.773 10.017 1.00 0.45 C ATOM 0 H VAL A 59 5.067 -4.216 7.939 1.00 0.41 H new ATOM 0 HA VAL A 59 4.216 -1.418 8.322 1.00 0.40 H new ATOM 0 HB VAL A 59 4.954 -2.395 10.456 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.267 -3.188 10.743 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.362 -4.191 9.584 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.544 -2.999 8.995 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.741 -0.791 10.996 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.995 -0.496 9.259 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.452 -0.044 10.022 1.00 0.45 H new ATOM 867 N LEU A 60 5.960 -0.548 6.769 1.00 0.39 N ATOM 868 CA LEU A 60 6.879 -0.062 5.743 1.00 0.40 C ATOM 869 C LEU A 60 7.367 1.345 6.072 1.00 0.38 C ATOM 870 O LEU A 60 6.811 2.020 6.939 1.00 0.48 O ATOM 871 CB LEU A 60 6.201 -0.076 4.371 1.00 0.45 C ATOM 872 CG LEU A 60 5.768 -1.457 3.877 1.00 0.61 C ATOM 873 CD1 LEU A 60 5.072 -1.349 2.528 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.966 -2.390 3.784 1.00 0.97 C ATOM 0 H LEU A 60 5.264 0.135 7.068 1.00 0.39 H new ATOM 0 HA LEU A 60 7.742 -0.728 5.718 1.00 0.40 H new ATOM 0 HB2 LEU A 60 5.324 0.571 4.409 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.885 0.357 3.640 1.00 0.45 H new ATOM 0 HG LEU A 60 5.062 -1.872 4.596 1.00 0.61 H new ATOM 0 HD11 LEU A 60 4.771 -2.342 2.193 1.00 0.77 H new ATOM 0 HD12 LEU A 60 4.190 -0.716 2.623 1.00 0.77 H new ATOM 0 HD13 LEU A 60 5.755 -0.912 1.800 1.00 0.77 H new ATOM 0 HD21 LEU A 60 6.639 -3.368 3.431 1.00 0.97 H new ATOM 0 HD22 LEU A 60 7.695 -1.978 3.087 1.00 0.97 H new ATOM 0 HD23 LEU A 60 7.424 -2.494 4.768 1.00 0.97 H new ATOM 885 N ARG A 61 8.409 1.783 5.375 1.00 0.51 N ATOM 886 CA ARG A 61 8.978 3.106 5.590 1.00 0.58 C ATOM 887 C ARG A 61 8.988 3.903 4.291 1.00 0.54 C ATOM 888 O ARG A 61 9.160 3.342 3.210 1.00 0.59 O ATOM 889 CB ARG A 61 10.401 2.990 6.141 1.00 0.69 C ATOM 890 CG ARG A 61 10.483 2.293 7.489 1.00 1.34 C ATOM 891 CD ARG A 61 11.916 2.220 7.988 1.00 1.51 C ATOM 892 NE ARG A 61 12.016 1.572 9.293 1.00 2.06 N ATOM 893 CZ ARG A 61 13.158 1.441 9.963 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.287 1.908 9.449 1.00 2.45 N ATOM 895 NH2 ARG A 61 13.170 0.844 11.147 1.00 3.32 N ATOM 0 H ARG A 61 8.878 1.237 4.653 1.00 0.51 H new ATOM 0 HA ARG A 61 8.358 3.630 6.317 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.015 2.446 5.423 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.827 3.989 6.233 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.870 2.828 8.215 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.073 1.286 7.406 1.00 1.34 H new ATOM 0 HD2 ARG A 61 12.522 1.673 7.266 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.328 3.227 8.052 1.00 1.51 H new ATOM 0 HE ARG A 61 11.164 1.200 9.713 1.00 2.06 H new ATOM 0 HH11 ARG A 61 14.281 2.368 8.539 1.00 2.45 H new ATOM 0 HH12 ARG A 61 15.162 1.807 9.964 1.00 2.45 H new ATOM 0 HH21 ARG A 61 12.303 0.484 11.546 1.00 3.32 H new ATOM 0 HH22 ARG A 61 14.046 0.744 11.659 1.00 3.32 H new ATOM 906 N LYS A 62 8.812 5.216 4.402 1.00 0.69 N ATOM 907 CA LYS A 62 8.794 6.083 3.230 1.00 0.74 C ATOM 908 C LYS A 62 10.002 5.819 2.335 1.00 0.68 C ATOM 909 O LYS A 62 9.961 6.075 1.132 1.00 0.76 O ATOM 910 CB LYS A 62 8.766 7.554 3.652 1.00 0.92 C ATOM 911 CG LYS A 62 8.686 8.523 2.482 1.00 1.88 C ATOM 912 CD LYS A 62 7.248 8.839 2.106 1.00 2.95 C ATOM 913 CE LYS A 62 6.457 7.580 1.784 1.00 3.60 C ATOM 914 NZ LYS A 62 5.112 7.894 1.227 1.00 4.70 N ATOM 0 H LYS A 62 8.680 5.701 5.289 1.00 0.69 H new ATOM 0 HA LYS A 62 7.890 5.860 2.663 1.00 0.74 H new ATOM 0 HB2 LYS A 62 7.911 7.719 4.308 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.661 7.773 4.234 1.00 0.92 H new ATOM 0 HG2 LYS A 62 9.205 9.446 2.739 1.00 1.88 H new ATOM 0 HG3 LYS A 62 9.201 8.096 1.621 1.00 1.88 H new ATOM 0 HD2 LYS A 62 6.766 9.371 2.927 1.00 2.95 H new ATOM 0 HD3 LYS A 62 7.236 9.506 1.244 1.00 2.95 H new ATOM 0 HE2 LYS A 62 7.014 6.975 1.068 1.00 3.60 H new ATOM 0 HE3 LYS A 62 6.344 6.981 2.688 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 4.606 7.009 1.021 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 4.570 8.449 1.920 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 5.219 8.443 0.350 1.00 4.70 H new ATOM 924 N LYS A 63 11.074 5.307 2.929 1.00 0.64 N ATOM 925 CA LYS A 63 12.289 5.008 2.183 1.00 0.71 C ATOM 926 C LYS A 63 12.150 3.683 1.441 1.00 0.63 C ATOM 927 O LYS A 63 12.745 3.489 0.381 1.00 0.73 O ATOM 928 CB LYS A 63 13.491 4.955 3.127 1.00 0.88 C ATOM 929 CG LYS A 63 13.363 3.901 4.215 1.00 0.88 C ATOM 930 CD LYS A 63 14.604 3.845 5.089 1.00 1.10 C ATOM 931 CE LYS A 63 15.837 3.466 4.285 1.00 1.67 C ATOM 932 NZ LYS A 63 17.053 3.376 5.140 1.00 2.28 N ATOM 0 H LYS A 63 11.126 5.091 3.924 1.00 0.64 H new ATOM 0 HA LYS A 63 12.447 5.801 1.453 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.391 4.757 2.545 1.00 0.88 H new ATOM 0 HB3 LYS A 63 13.620 5.932 3.592 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.492 4.119 4.833 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.194 2.925 3.759 1.00 0.88 H new ATOM 0 HD2 LYS A 63 14.761 4.814 5.562 1.00 1.10 H new ATOM 0 HD3 LYS A 63 14.454 3.121 5.889 1.00 1.10 H new ATOM 0 HE2 LYS A 63 15.668 2.509 3.792 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.999 4.205 3.500 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.871 3.115 4.553 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 17.229 4.296 5.591 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 16.909 2.653 5.874 1.00 2.28 H new ATOM 942 N ASP A 64 11.360 2.775 2.007 1.00 0.54 N ATOM 943 CA ASP A 64 11.140 1.470 1.396 1.00 0.54 C ATOM 944 C ASP A 64 10.085 1.559 0.299 1.00 0.46 C ATOM 945 O ASP A 64 10.187 0.886 -0.729 1.00 0.56 O ATOM 946 CB ASP A 64 10.714 0.450 2.451 1.00 0.56 C ATOM 947 CG ASP A 64 10.519 -0.936 1.870 1.00 1.38 C ATOM 948 OD1 ASP A 64 11.512 -1.690 1.785 1.00 1.49 O ATOM 949 OD2 ASP A 64 9.374 -1.267 1.495 1.00 2.30 O ATOM 0 H ASP A 64 10.863 2.919 2.886 1.00 0.54 H new ATOM 0 HA ASP A 64 12.079 1.142 0.949 1.00 0.54 H new ATOM 0 HB2 ASP A 64 11.468 0.408 3.237 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.785 0.780 2.917 1.00 0.56 H new ATOM 953 N LEU A 65 9.073 2.392 0.521 1.00 0.39 N ATOM 954 CA LEU A 65 8.006 2.566 -0.459 1.00 0.41 C ATOM 955 C LEU A 65 8.557 3.115 -1.774 1.00 0.45 C ATOM 956 O LEU A 65 7.942 2.957 -2.828 1.00 0.52 O ATOM 957 CB LEU A 65 6.921 3.501 0.085 1.00 0.51 C ATOM 958 CG LEU A 65 5.977 2.876 1.114 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.699 2.638 2.430 1.00 0.67 C ATOM 960 CD2 LEU A 65 4.757 3.762 1.326 1.00 0.70 C ATOM 0 H LEU A 65 8.969 2.954 1.366 1.00 0.39 H new ATOM 0 HA LEU A 65 7.565 1.588 -0.650 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.404 4.367 0.538 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.328 3.869 -0.752 1.00 0.51 H new ATOM 0 HG LEU A 65 5.641 1.913 0.730 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.010 2.193 3.148 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.539 1.963 2.267 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.067 3.587 2.820 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.097 3.302 2.061 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.076 4.740 1.687 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.224 3.879 0.382 1.00 0.70 H new ATOM 971 N ALA A 66 9.721 3.757 -1.705 1.00 0.46 N ATOM 972 CA ALA A 66 10.353 4.325 -2.889 1.00 0.52 C ATOM 973 C ALA A 66 10.529 3.273 -3.978 1.00 0.50 C ATOM 974 O ALA A 66 10.437 3.576 -5.169 1.00 0.66 O ATOM 975 CB ALA A 66 11.695 4.940 -2.525 1.00 0.60 C ATOM 0 H ALA A 66 10.244 3.896 -0.841 1.00 0.46 H new ATOM 0 HA ALA A 66 9.700 5.106 -3.279 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.157 5.361 -3.418 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.546 5.729 -1.788 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.346 4.172 -2.108 1.00 0.60 H new ATOM 981 N LEU A 67 10.784 2.036 -3.565 1.00 0.37 N ATOM 982 CA LEU A 67 10.974 0.939 -4.506 1.00 0.35 C ATOM 983 C LEU A 67 9.636 0.451 -5.053 1.00 0.31 C ATOM 984 O LEU A 67 9.376 0.540 -6.252 1.00 0.30 O ATOM 985 CB LEU A 67 11.718 -0.214 -3.835 1.00 0.38 C ATOM 986 CG LEU A 67 13.123 0.127 -3.333 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.761 -1.085 -2.674 1.00 0.48 C ATOM 988 CD2 LEU A 67 13.988 0.634 -4.474 1.00 0.47 C ATOM 0 H LEU A 67 10.864 1.768 -2.584 1.00 0.37 H new ATOM 0 HA LEU A 67 11.571 1.309 -5.340 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.124 -0.569 -2.993 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.792 -1.040 -4.543 1.00 0.38 H new ATOM 0 HG LEU A 67 13.041 0.919 -2.588 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.760 -0.825 -2.323 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.151 -1.403 -1.829 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.831 -1.898 -3.397 1.00 0.48 H new ATOM 0 HD21 LEU A 67 14.983 0.871 -4.098 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.064 -0.135 -5.242 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.538 1.530 -4.901 1.00 0.47 H new ATOM 999 N ILE A 68 8.789 -0.064 -4.165 1.00 0.31 N ATOM 1000 CA ILE A 68 7.478 -0.564 -4.563 1.00 0.30 C ATOM 1001 C ILE A 68 6.597 0.572 -5.070 1.00 0.30 C ATOM 1002 O ILE A 68 6.697 1.704 -4.597 1.00 0.37 O ATOM 1003 CB ILE A 68 6.765 -1.270 -3.394 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.482 -0.276 -2.266 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.603 -2.433 -2.885 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.787 -0.896 -1.073 1.00 0.43 C ATOM 0 H ILE A 68 8.987 -0.145 -3.168 1.00 0.31 H new ATOM 0 HA ILE A 68 7.641 -1.285 -5.364 1.00 0.30 H new ATOM 0 HB ILE A 68 5.814 -1.664 -3.753 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.423 0.167 -1.938 1.00 0.38 H new ATOM 0 HG13 ILE A 68 5.866 0.535 -2.654 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.085 -2.921 -2.059 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.757 -3.150 -3.691 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.568 -2.062 -2.539 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.618 -0.133 -0.313 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.830 -1.314 -1.386 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.411 -1.688 -0.660 1.00 0.43 H new ATOM 1017 N GLU A 69 5.735 0.266 -6.033 1.00 0.29 N ATOM 1018 CA GLU A 69 4.845 1.269 -6.604 1.00 0.32 C ATOM 1019 C GLU A 69 3.452 1.182 -5.988 1.00 0.31 C ATOM 1020 O GLU A 69 2.981 0.098 -5.640 1.00 0.37 O ATOM 1021 CB GLU A 69 4.759 1.095 -8.123 1.00 0.34 C ATOM 1022 CG GLU A 69 4.101 2.266 -8.835 1.00 0.44 C ATOM 1023 CD GLU A 69 4.056 2.081 -10.340 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.053 2.423 -11.010 1.00 1.26 O ATOM 1025 OE2 GLU A 69 3.025 1.596 -10.847 1.00 2.29 O ATOM 0 H GLU A 69 5.634 -0.667 -6.434 1.00 0.29 H new ATOM 0 HA GLU A 69 5.256 2.253 -6.379 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.764 0.957 -8.522 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.200 0.186 -8.345 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.086 2.393 -8.457 1.00 0.44 H new ATOM 0 HG3 GLU A 69 4.645 3.181 -8.601 1.00 0.44 H new ATOM 1030 N LEU A 70 2.801 2.333 -5.850 1.00 0.32 N ATOM 1031 CA LEU A 70 1.458 2.395 -5.281 1.00 0.33 C ATOM 1032 C LEU A 70 0.459 2.907 -6.313 1.00 0.33 C ATOM 1033 O LEU A 70 0.809 3.692 -7.195 1.00 0.45 O ATOM 1034 CB LEU A 70 1.440 3.297 -4.042 1.00 0.38 C ATOM 1035 CG LEU A 70 2.241 2.780 -2.845 1.00 0.95 C ATOM 1036 CD1 LEU A 70 1.886 1.332 -2.552 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.734 2.925 -3.094 1.00 1.85 C ATOM 0 H LEU A 70 3.183 3.238 -6.125 1.00 0.32 H new ATOM 0 HA LEU A 70 1.169 1.386 -4.986 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.827 4.277 -4.321 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.405 3.439 -3.731 1.00 0.38 H new ATOM 0 HG LEU A 70 1.981 3.381 -1.974 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.465 0.981 -1.698 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.823 1.257 -2.325 1.00 1.25 H new ATOM 0 HD13 LEU A 70 2.115 0.718 -3.423 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.285 2.552 -2.231 1.00 1.85 H new ATOM 0 HD22 LEU A 70 4.013 2.352 -3.978 1.00 1.85 H new ATOM 0 HD23 LEU A 70 3.976 3.976 -3.252 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.789 2.460 -6.199 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.837 2.874 -7.126 1.00 0.38 C ATOM 1050 C GLU A 71 -3.074 3.353 -6.373 1.00 0.37 C ATOM 1051 O GLU A 71 -3.357 2.893 -5.266 1.00 0.52 O ATOM 1052 CB GLU A 71 -2.206 1.717 -8.058 1.00 0.47 C ATOM 1053 CG GLU A 71 -3.260 2.079 -9.091 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.781 3.135 -10.067 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.923 4.337 -9.759 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -2.263 2.761 -11.140 1.00 1.26 O ATOM 0 H GLU A 71 -1.098 1.812 -5.475 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.455 3.704 -7.721 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -1.308 1.375 -8.572 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.568 0.881 -7.460 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.546 1.183 -9.642 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -4.154 2.439 -8.582 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.810 4.279 -6.980 1.00 0.45 N ATOM 1062 CA ALA A 72 -5.016 4.823 -6.366 1.00 0.52 C ATOM 1063 C ALA A 72 -6.226 3.940 -6.649 1.00 0.44 C ATOM 1064 O ALA A 72 -6.149 3.000 -7.441 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.267 6.239 -6.865 1.00 0.76 C ATOM 0 H ALA A 72 -3.592 4.668 -7.897 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.864 4.848 -5.287 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.170 6.634 -6.399 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.418 6.872 -6.606 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.393 6.226 -7.948 1.00 0.76 H new ATOM 1071 N VAL A 73 -7.341 4.246 -5.995 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.569 3.480 -6.175 1.00 0.64 C ATOM 1073 C VAL A 73 -9.263 3.857 -7.481 1.00 0.83 C ATOM 1074 O VAL A 73 -8.820 4.755 -8.194 1.00 0.99 O ATOM 1075 CB VAL A 73 -9.549 3.702 -5.008 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -8.915 3.284 -3.691 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.996 5.156 -4.958 1.00 1.16 C ATOM 0 H VAL A 73 -7.420 5.020 -5.335 1.00 0.58 H new ATOM 0 HA VAL A 73 -8.283 2.429 -6.204 1.00 0.64 H new ATOM 0 HB VAL A 73 -10.429 3.081 -5.172 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -9.623 3.448 -2.878 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -8.650 2.227 -3.734 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -8.017 3.876 -3.515 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -10.688 5.296 -4.128 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -9.127 5.799 -4.818 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.493 5.416 -5.892 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.351 3.159 -7.785 1.00 0.99 N ATOM 1088 CA ALA A 74 -11.108 3.421 -9.002 1.00 1.25 C ATOM 1089 C ALA A 74 -12.601 3.214 -8.773 1.00 1.66 C ATOM 1090 O ALA A 74 -13.413 4.091 -9.068 1.00 2.28 O ATOM 1091 CB ALA A 74 -10.617 2.526 -10.131 1.00 1.57 C ATOM 0 H ALA A 74 -10.728 2.408 -7.206 1.00 0.99 H new ATOM 0 HA ALA A 74 -10.950 4.462 -9.283 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -11.191 2.732 -11.034 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -9.562 2.723 -10.319 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -10.746 1.481 -9.849 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.957 2.049 -8.242 1.00 1.95 N ATOM 1098 CA GLN A 75 -14.352 1.729 -7.969 1.00 2.53 C ATOM 1099 C GLN A 75 -14.648 1.815 -6.476 1.00 2.88 C ATOM 1100 O GLN A 75 -13.747 2.030 -5.666 1.00 3.14 O ATOM 1101 CB GLN A 75 -14.686 0.330 -8.489 1.00 3.27 C ATOM 1102 CG GLN A 75 -14.587 0.206 -9.997 1.00 3.83 C ATOM 1103 CD GLN A 75 -14.679 -1.230 -10.475 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -15.321 -2.068 -9.841 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -14.036 -1.522 -11.599 1.00 5.13 N ATOM 0 H GLN A 75 -12.298 1.311 -7.992 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.975 2.459 -8.486 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -14.011 -0.391 -8.028 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -15.696 0.066 -8.176 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -15.384 0.790 -10.458 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -13.643 0.636 -10.331 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -13.516 -0.796 -12.092 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -14.062 -2.472 -11.969 1.00 5.13 H new TER 1112 GLN A 75