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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.32 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.7) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.623 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0878 USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.05 (180deg=-0.423!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -65:sc= 0.573 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.934 K(o=0.93,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 1.13 (180deg=-0.111!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.63! C(o=-1.6!,f=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.752 K(o=0.75,f=-3.2!) USER MOD Single : A 55 THR OG1 : rot -49:sc= 1.29 USER MOD Single : A 57 SER OG : rot -32:sc= 0.187 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.474 USER MOD Single : A 60 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0.955 (180deg=0.334) USER MOD Single : A 65 SER OG : rot 88:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.15! C(o=-1.2!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.403 4.336 -3.965 1.00 9.67 N ATOM 2 CA MET A 1 -12.480 4.404 -2.489 1.00 10.38 C ATOM 3 C MET A 1 -11.233 4.927 -1.865 1.00 9.62 C ATOM 4 O MET A 1 -10.133 4.784 -2.398 1.00 9.62 O ATOM 5 CB MET A 1 -12.827 2.959 -2.093 1.00 13.77 C ATOM 6 CG MET A 1 -12.966 2.604 -0.611 1.00 16.29 C ATOM 7 SD MET A 1 -13.099 0.809 -0.359 1.00 17.17 S ATOM 8 CE MET A 1 -11.350 0.374 -0.134 1.00 16.11 C ATOM 0 H1 MET A 1 -13.342 4.112 -4.352 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.084 5.253 -4.339 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.729 3.595 -4.244 1.00 9.67 H new ATOM 0 HA MET A 1 -13.224 5.115 -2.129 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.767 2.702 -2.582 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.060 2.310 -2.515 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.104 2.985 -0.063 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.848 3.095 -0.200 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.261 -0.700 0.032 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.788 0.651 -1.026 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.950 0.909 0.727 1.00 16.11 H new ATOM 20 N GLN A 2 -11.319 5.712 -0.776 1.00 9.27 N ATOM 21 CA GLN A 2 -10.198 6.344 -0.152 1.00 9.07 C ATOM 22 C GLN A 2 -9.542 5.407 0.803 1.00 8.72 C ATOM 23 O GLN A 2 -10.233 4.982 1.728 1.00 8.22 O ATOM 24 CB GLN A 2 -10.696 7.548 0.665 1.00 14.46 C ATOM 25 CG GLN A 2 -9.609 8.571 1.002 1.00 17.01 C ATOM 26 CD GLN A 2 -10.153 9.878 1.559 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.538 10.939 1.644 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.441 9.997 1.982 1.00 19.49 N ATOM 0 H GLN A 2 -12.204 5.914 -0.312 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.495 6.647 -0.927 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.489 8.047 0.108 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.138 7.185 1.593 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.923 8.134 1.728 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.030 8.782 0.103 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.061 9.187 1.963 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.786 10.896 2.318 1.00 19.49 H new ATOM 37 N ILE A 3 -8.252 5.038 0.704 1.00 5.87 N ATOM 38 CA ILE A 3 -7.488 4.491 1.782 1.00 5.07 C ATOM 39 C ILE A 3 -6.213 5.240 1.966 1.00 4.01 C ATOM 40 O ILE A 3 -5.837 6.009 1.083 1.00 4.61 O ATOM 41 CB ILE A 3 -7.121 3.060 1.524 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.522 2.763 0.138 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.356 2.177 1.767 1.00 5.58 C ATOM 44 CD1 ILE A 3 -6.107 1.314 -0.110 1.00 10.83 C ATOM 0 H ILE A 3 -7.720 5.124 -0.162 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.115 4.567 2.670 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.315 2.831 2.222 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.251 3.047 -0.621 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.649 3.400 -0.004 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.100 1.134 1.582 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.688 2.292 2.799 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.157 2.479 1.093 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.699 1.220 -1.116 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.349 1.023 0.618 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.976 0.664 -0.009 1.00 10.83 H new ATOM 56 N PHE A 4 -5.530 4.962 3.091 1.00 4.55 N ATOM 57 CA PHE A 4 -4.334 5.695 3.371 1.00 4.68 C ATOM 58 C PHE A 4 -3.163 4.781 3.480 1.00 5.30 C ATOM 59 O PHE A 4 -3.248 3.664 3.989 1.00 5.58 O ATOM 60 CB PHE A 4 -4.381 6.686 4.546 1.00 4.83 C ATOM 61 CG PHE A 4 -5.580 7.567 4.459 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.631 8.717 3.706 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.703 7.185 5.154 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.774 9.480 3.679 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.882 7.892 5.129 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.869 9.054 4.393 1.00 8.90 C ATOM 0 H PHE A 4 -5.791 4.259 3.782 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.225 6.346 2.504 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.397 6.137 5.488 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.478 7.296 4.548 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.768 9.022 3.133 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.657 6.285 5.749 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.811 10.396 3.108 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.764 7.556 5.655 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.762 9.661 4.375 1.00 8.90 H new ATOM 76 N VAL A 5 -1.952 5.218 3.093 1.00 4.44 N ATOM 77 CA VAL A 5 -0.635 4.722 3.345 1.00 3.87 C ATOM 78 C VAL A 5 0.199 5.691 4.111 1.00 4.93 C ATOM 79 O VAL A 5 0.511 6.802 3.684 1.00 6.84 O ATOM 80 CB VAL A 5 0.016 4.161 2.116 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.321 3.451 2.514 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.996 3.188 1.488 1.00 9.13 C ATOM 0 H VAL A 5 -1.896 6.053 2.510 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.735 3.863 4.009 1.00 3.87 H new ATOM 0 HB VAL A 5 0.278 4.936 1.395 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.798 3.041 1.624 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.993 4.165 2.990 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.098 2.643 3.211 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.568 2.751 0.586 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.229 2.396 2.200 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.908 3.727 1.233 1.00 9.13 H new ATOM 92 N LYS A 6 0.660 5.305 5.314 1.00 6.04 N ATOM 93 CA LYS A 6 1.525 6.071 6.156 1.00 6.12 C ATOM 94 C LYS A 6 2.926 5.566 6.106 1.00 6.57 C ATOM 95 O LYS A 6 3.207 4.426 6.472 1.00 5.76 O ATOM 96 CB LYS A 6 0.978 6.149 7.592 1.00 7.45 C ATOM 97 CG LYS A 6 1.857 6.915 8.583 1.00 11.12 C ATOM 98 CD LYS A 6 1.482 6.593 10.031 1.00 14.54 C ATOM 99 CE LYS A 6 2.372 7.177 11.130 1.00 18.84 C ATOM 100 NZ LYS A 6 1.992 6.526 12.404 1.00 20.55 N ATOM 0 H LYS A 6 0.413 4.404 5.723 1.00 6.04 H new ATOM 0 HA LYS A 6 1.550 7.091 5.771 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.005 6.619 7.564 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.836 5.135 7.965 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.904 6.663 8.413 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.755 7.986 8.409 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.463 6.940 10.201 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.472 5.509 10.144 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.424 6.998 10.907 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.240 8.257 11.197 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.580 6.902 13.175 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.990 6.719 12.607 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.138 5.499 12.326 1.00 20.55 H new ATOM 114 N THR A 7 3.888 6.448 5.780 1.00 7.41 N ATOM 115 CA THR A 7 5.249 6.051 5.591 1.00 7.48 C ATOM 116 C THR A 7 5.984 5.827 6.868 1.00 8.75 C ATOM 117 O THR A 7 5.474 5.994 7.975 1.00 8.58 O ATOM 118 CB THR A 7 6.090 6.835 4.628 1.00 9.61 C ATOM 119 OG1 THR A 7 6.333 8.137 5.141 1.00 11.78 O ATOM 120 CG2 THR A 7 5.507 6.902 3.206 1.00 9.17 C ATOM 0 H THR A 7 3.721 7.445 5.646 1.00 7.41 H new ATOM 0 HA THR A 7 5.099 5.099 5.083 1.00 7.48 H new ATOM 0 HB THR A 7 7.034 6.298 4.531 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.884 8.641 4.506 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.171 7.485 2.568 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.411 5.893 2.804 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.525 7.375 3.237 1.00 9.17 H new ATOM 128 N LEU A 8 7.244 5.363 6.797 1.00 9.84 N ATOM 129 CA LEU A 8 8.136 5.049 7.870 1.00 14.15 C ATOM 130 C LEU A 8 8.557 6.205 8.709 1.00 17.37 C ATOM 131 O LEU A 8 8.432 6.138 9.931 1.00 17.01 O ATOM 132 CB LEU A 8 9.408 4.462 7.234 1.00 16.63 C ATOM 133 CG LEU A 8 10.553 4.083 8.188 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.120 2.881 9.045 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.771 3.687 7.337 1.00 19.31 C ATOM 0 H LEU A 8 7.681 5.191 5.892 1.00 9.84 H new ATOM 0 HA LEU A 8 7.599 4.370 8.533 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.126 3.572 6.672 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.792 5.185 6.514 1.00 16.63 H new ATOM 0 HG LEU A 8 10.800 4.921 8.840 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.928 2.608 9.723 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.235 3.146 9.623 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.890 2.036 8.396 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.599 3.413 7.991 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.512 2.838 6.704 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.067 4.529 6.711 1.00 19.31 H new ATOM 147 N THR A 9 9.126 7.279 8.133 1.00 18.33 N ATOM 148 CA THR A 9 9.274 8.531 8.806 1.00 19.24 C ATOM 149 C THR A 9 7.943 9.081 9.191 1.00 19.48 C ATOM 150 O THR A 9 7.688 9.206 10.388 1.00 23.14 O ATOM 151 CB THR A 9 10.046 9.555 8.029 1.00 18.97 C ATOM 152 OG1 THR A 9 9.346 9.781 6.814 1.00 20.24 O ATOM 153 CG2 THR A 9 11.430 8.968 7.702 1.00 19.70 C ATOM 0 H THR A 9 9.491 7.277 7.180 1.00 18.33 H new ATOM 0 HA THR A 9 9.862 8.316 9.698 1.00 19.24 H new ATOM 0 HB THR A 9 10.157 10.482 8.592 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.824 10.449 6.280 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.010 9.697 7.136 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.952 8.729 8.629 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.310 8.061 7.109 1.00 19.70 H new ATOM 161 N GLY A 10 7.010 9.415 8.281 1.00 19.43 N ATOM 162 CA GLY A 10 5.696 9.886 8.591 1.00 18.74 C ATOM 163 C GLY A 10 5.056 10.715 7.532 1.00 17.62 C ATOM 164 O GLY A 10 4.769 11.890 7.758 1.00 19.74 O ATOM 0 H GLY A 10 7.182 9.353 7.277 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.057 9.026 8.794 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.744 10.471 9.509 1.00 18.74 H new ATOM 168 N LYS A 11 4.792 10.121 6.354 1.00 13.56 N ATOM 169 CA LYS A 11 4.143 10.857 5.313 1.00 11.91 C ATOM 170 C LYS A 11 2.857 10.161 5.028 1.00 10.18 C ATOM 171 O LYS A 11 2.984 8.971 4.744 1.00 9.10 O ATOM 172 CB LYS A 11 5.011 10.916 4.045 1.00 13.43 C ATOM 173 CG LYS A 11 4.234 11.669 2.963 1.00 16.69 C ATOM 174 CD LYS A 11 5.027 11.987 1.694 1.00 17.92 C ATOM 175 CE LYS A 11 4.286 12.971 0.786 1.00 20.81 C ATOM 176 NZ LYS A 11 5.011 13.069 -0.500 1.00 21.93 N ATOM 0 H LYS A 11 5.021 9.154 6.125 1.00 13.56 H new ATOM 0 HA LYS A 11 3.974 11.887 5.628 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.955 11.420 4.254 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.255 9.909 3.705 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.360 11.078 2.688 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.866 12.604 3.386 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.996 12.405 1.967 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.221 11.064 1.147 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.263 12.633 0.618 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.225 13.950 1.261 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.327 13.146 -1.279 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.621 13.911 -0.491 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.595 12.219 -0.635 1.00 21.93 H new ATOM 190 N THR A 12 1.645 10.744 4.992 1.00 9.63 N ATOM 191 CA THR A 12 0.392 10.072 4.842 1.00 9.85 C ATOM 192 C THR A 12 -0.005 10.478 3.465 1.00 11.66 C ATOM 193 O THR A 12 -0.390 11.587 3.098 1.00 12.33 O ATOM 194 CB THR A 12 -0.765 10.516 5.688 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.536 10.500 7.089 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.010 9.659 5.402 1.00 9.63 C ATOM 0 H THR A 12 1.535 11.755 5.073 1.00 9.63 H new ATOM 0 HA THR A 12 0.554 9.025 5.100 1.00 9.85 H new ATOM 0 HB THR A 12 -0.913 11.557 5.402 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.342 10.805 7.556 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.837 9.998 6.026 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.285 9.756 4.352 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.792 8.615 5.625 1.00 9.63 H new ATOM 204 N ILE A 13 -0.064 9.448 2.601 1.00 10.42 N ATOM 205 CA ILE A 13 -0.456 9.558 1.231 1.00 11.84 C ATOM 206 C ILE A 13 -1.858 9.081 1.065 1.00 10.55 C ATOM 207 O ILE A 13 -2.279 8.032 1.550 1.00 11.92 O ATOM 208 CB ILE A 13 0.453 8.695 0.407 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.911 9.186 0.419 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.005 8.561 -1.055 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.894 8.176 1.009 1.00 16.46 C ATOM 0 H ILE A 13 0.173 8.494 2.872 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.391 10.598 0.912 1.00 11.84 H new ATOM 0 HB ILE A 13 0.400 7.716 0.884 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.214 9.422 -0.601 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.969 10.112 0.991 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.694 7.925 -1.598 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.000 8.116 -1.085 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.034 9.547 -1.519 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.901 8.592 0.984 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.617 7.958 2.040 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.866 7.257 0.424 1.00 16.46 H new ATOM 223 N THR A 14 -2.750 9.814 0.375 1.00 9.39 N ATOM 224 CA THR A 14 -4.120 9.500 0.112 1.00 9.63 C ATOM 225 C THR A 14 -4.287 8.914 -1.248 1.00 11.20 C ATOM 226 O THR A 14 -3.885 9.537 -2.230 1.00 11.63 O ATOM 227 CB THR A 14 -5.026 10.691 0.222 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.913 11.209 1.539 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.496 10.276 0.050 1.00 11.66 C ATOM 0 H THR A 14 -2.485 10.709 -0.036 1.00 9.39 H new ATOM 0 HA THR A 14 -4.403 8.776 0.877 1.00 9.63 H new ATOM 0 HB THR A 14 -4.744 11.413 -0.545 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.255 10.551 2.180 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.135 11.155 0.134 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.633 9.820 -0.930 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.764 9.558 0.825 1.00 11.66 H new ATOM 237 N LEU A 15 -4.793 7.673 -1.356 1.00 8.29 N ATOM 238 CA LEU A 15 -4.955 6.889 -2.541 1.00 9.03 C ATOM 239 C LEU A 15 -6.395 6.833 -2.920 1.00 8.59 C ATOM 240 O LEU A 15 -7.314 6.986 -2.117 1.00 7.79 O ATOM 241 CB LEU A 15 -4.364 5.470 -2.479 1.00 11.08 C ATOM 242 CG LEU A 15 -2.865 5.301 -2.180 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.557 3.817 -1.923 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.023 5.838 -3.350 1.00 15.88 C ATOM 0 H LEU A 15 -5.120 7.171 -0.531 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.371 7.401 -3.306 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.916 4.916 -1.719 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.566 4.987 -3.435 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.608 5.874 -1.289 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.495 3.697 -1.711 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.139 3.467 -1.070 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.819 3.233 -2.805 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.964 5.712 -3.124 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.269 5.287 -4.258 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.239 6.896 -3.498 1.00 15.88 H new ATOM 256 N GLU A 16 -6.709 6.457 -4.173 1.00 11.04 N ATOM 257 CA GLU A 16 -8.081 6.365 -4.566 1.00 11.50 C ATOM 258 C GLU A 16 -8.099 5.067 -5.298 1.00 10.13 C ATOM 259 O GLU A 16 -7.826 4.946 -6.491 1.00 9.83 O ATOM 260 CB GLU A 16 -8.407 7.597 -5.426 1.00 17.22 C ATOM 261 CG GLU A 16 -9.812 7.648 -6.031 1.00 23.33 C ATOM 262 CD GLU A 16 -10.766 7.314 -4.893 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.779 7.948 -3.804 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.688 6.534 -5.252 1.00 28.90 O ATOM 0 H GLU A 16 -6.032 6.222 -4.898 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.831 6.370 -3.775 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.265 8.488 -4.815 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.682 7.649 -6.239 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.025 8.635 -6.443 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.912 6.933 -6.848 1.00 23.33 H new ATOM 271 N VAL A 17 -8.522 4.016 -4.573 1.00 8.99 N ATOM 272 CA VAL A 17 -8.505 2.673 -5.063 1.00 8.85 C ATOM 273 C VAL A 17 -9.810 2.068 -5.452 1.00 8.04 C ATOM 274 O VAL A 17 -10.859 2.564 -5.046 1.00 8.99 O ATOM 275 CB VAL A 17 -7.775 1.713 -4.171 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.370 2.253 -3.855 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.464 1.449 -2.822 1.00 10.54 C ATOM 0 H VAL A 17 -8.884 4.102 -3.623 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.954 2.819 -5.992 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.751 0.777 -4.729 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.847 1.550 -3.207 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.811 2.377 -4.782 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.455 3.216 -3.352 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.869 0.744 -2.241 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.557 2.385 -2.272 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.455 1.030 -2.996 1.00 10.54 H new ATOM 287 N GLU A 18 -9.776 0.966 -6.223 1.00 7.29 N ATOM 288 CA GLU A 18 -10.879 0.069 -6.382 1.00 7.08 C ATOM 289 C GLU A 18 -11.022 -0.723 -5.128 1.00 6.45 C ATOM 290 O GLU A 18 -9.962 -1.122 -4.647 1.00 5.28 O ATOM 291 CB GLU A 18 -10.916 -0.934 -7.548 1.00 10.28 C ATOM 292 CG GLU A 18 -11.062 -0.324 -8.944 1.00 12.65 C ATOM 293 CD GLU A 18 -9.786 0.418 -9.315 1.00 14.15 C ATOM 294 OE1 GLU A 18 -8.798 -0.243 -9.732 1.00 18.17 O ATOM 295 OE2 GLU A 18 -9.781 1.677 -9.286 1.00 14.33 O ATOM 0 H GLU A 18 -8.951 0.690 -6.755 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.687 0.760 -6.624 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.000 -1.525 -7.524 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.745 -1.623 -7.384 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.264 -1.107 -9.674 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.911 0.359 -8.966 1.00 12.65 H new ATOM 302 N PRO A 19 -12.125 -1.042 -4.520 1.00 7.24 N ATOM 303 CA PRO A 19 -12.282 -1.800 -3.313 1.00 7.07 C ATOM 304 C PRO A 19 -11.756 -3.192 -3.249 1.00 6.65 C ATOM 305 O PRO A 19 -11.404 -3.720 -2.196 1.00 6.37 O ATOM 306 CB PRO A 19 -13.790 -1.889 -3.087 1.00 7.61 C ATOM 307 CG PRO A 19 -14.382 -0.643 -3.763 1.00 8.16 C ATOM 308 CD PRO A 19 -13.359 -0.356 -4.874 1.00 7.49 C ATOM 0 HA PRO A 19 -11.684 -1.271 -2.571 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.198 -2.802 -3.521 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -14.027 -1.908 -2.023 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.377 -0.833 -4.166 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.473 0.192 -3.068 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.730 -0.707 -5.837 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.188 0.716 -4.970 1.00 7.49 H new ATOM 316 N SER A 20 -11.593 -3.916 -4.371 1.00 6.80 N ATOM 317 CA SER A 20 -10.982 -5.204 -4.478 1.00 6.28 C ATOM 318 C SER A 20 -9.746 -5.439 -5.277 1.00 8.45 C ATOM 319 O SER A 20 -9.493 -6.465 -5.906 1.00 7.26 O ATOM 320 CB SER A 20 -11.996 -6.131 -5.170 1.00 8.57 C ATOM 321 OG SER A 20 -13.214 -6.249 -4.450 1.00 11.13 O ATOM 0 H SER A 20 -11.915 -3.571 -5.275 1.00 6.80 H new ATOM 0 HA SER A 20 -10.689 -5.364 -3.440 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.206 -5.751 -6.170 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.554 -7.120 -5.291 1.00 8.57 H new ATOM 0 HG SER A 20 -13.823 -6.846 -4.933 1.00 11.13 H new ATOM 327 N ASP A 21 -8.924 -4.380 -5.383 1.00 7.50 N ATOM 328 CA ASP A 21 -7.692 -4.363 -6.109 1.00 7.70 C ATOM 329 C ASP A 21 -6.568 -5.039 -5.402 1.00 7.08 C ATOM 330 O ASP A 21 -6.721 -5.290 -4.207 1.00 8.11 O ATOM 331 CB ASP A 21 -7.345 -2.910 -6.473 1.00 11.00 C ATOM 332 CG ASP A 21 -6.531 -2.787 -7.752 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.481 -3.752 -8.561 1.00 18.03 O ATOM 334 OD2 ASP A 21 -5.910 -1.698 -7.882 1.00 14.36 O ATOM 0 H ASP A 21 -9.131 -3.486 -4.937 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.837 -4.947 -7.018 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.268 -2.340 -6.582 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.788 -2.460 -5.651 1.00 11.00 H new ATOM 339 N THR A 22 -5.394 -5.278 -6.012 1.00 5.37 N ATOM 340 CA THR A 22 -4.292 -6.005 -5.462 1.00 6.01 C ATOM 341 C THR A 22 -3.282 -5.209 -4.710 1.00 8.01 C ATOM 342 O THR A 22 -3.056 -4.069 -5.113 1.00 8.11 O ATOM 343 CB THR A 22 -3.563 -6.985 -6.334 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.030 -6.318 -7.468 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.540 -8.103 -6.734 1.00 9.65 C ATOM 0 H THR A 22 -5.202 -4.940 -6.955 1.00 5.37 H new ATOM 0 HA THR A 22 -4.887 -6.595 -4.765 1.00 6.01 H new ATOM 0 HB THR A 22 -2.725 -7.430 -5.797 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.554 -6.962 -8.033 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.026 -8.825 -7.369 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.907 -8.604 -5.838 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.381 -7.674 -7.279 1.00 9.65 H new ATOM 353 N ILE A 23 -2.542 -5.808 -3.760 1.00 8.32 N ATOM 354 CA ILE A 23 -1.531 -5.098 -3.040 1.00 9.92 C ATOM 355 C ILE A 23 -0.343 -4.795 -3.887 1.00 10.01 C ATOM 356 O ILE A 23 0.437 -3.905 -3.550 1.00 8.71 O ATOM 357 CB ILE A 23 -1.313 -5.893 -1.787 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.646 -5.987 -1.026 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.150 -5.285 -0.986 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.547 -7.084 0.032 1.00 12.30 C ATOM 0 H ILE A 23 -2.644 -6.786 -3.490 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.820 -4.088 -2.750 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.010 -6.918 -2.001 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.877 -5.032 -0.555 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -3.459 -6.206 -1.719 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.007 -5.864 -0.076 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.757 -5.305 -1.590 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.389 -4.254 -0.724 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.490 -7.153 0.574 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.335 -8.038 -0.451 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -1.745 -6.845 0.730 1.00 12.30 H new ATOM 372 N GLU A 24 -0.044 -5.445 -5.026 1.00 9.54 N ATOM 373 CA GLU A 24 0.895 -5.081 -6.041 1.00 11.81 C ATOM 374 C GLU A 24 0.419 -3.789 -6.609 1.00 11.14 C ATOM 375 O GLU A 24 1.266 -2.932 -6.859 1.00 10.62 O ATOM 376 CB GLU A 24 1.098 -6.113 -7.162 1.00 19.24 C ATOM 377 CG GLU A 24 1.506 -5.581 -8.538 1.00 27.76 C ATOM 378 CD GLU A 24 1.735 -6.720 -9.521 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.786 -7.475 -9.863 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.870 -6.740 -10.068 1.00 36.51 O ATOM 0 H GLU A 24 -0.513 -6.321 -5.258 1.00 9.54 H new ATOM 0 HA GLU A 24 1.878 -5.013 -5.574 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.859 -6.822 -6.835 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.170 -6.673 -7.278 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.730 -4.918 -8.920 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.416 -4.987 -8.447 1.00 27.76 H new ATOM 387 N ASN A 25 -0.885 -3.536 -6.821 1.00 9.43 N ATOM 388 CA ASN A 25 -1.431 -2.380 -7.461 1.00 10.96 C ATOM 389 C ASN A 25 -1.545 -1.218 -6.536 1.00 9.68 C ATOM 390 O ASN A 25 -1.225 -0.090 -6.907 1.00 9.33 O ATOM 391 CB ASN A 25 -2.818 -2.741 -8.019 1.00 16.78 C ATOM 392 CG ASN A 25 -2.801 -3.555 -9.305 1.00 22.31 C ATOM 393 OD1 ASN A 25 -1.756 -3.882 -9.865 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.010 -3.858 -9.848 1.00 24.70 N ATOM 0 H ASN A 25 -1.610 -4.189 -6.522 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.754 -2.081 -8.262 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.364 -3.300 -7.260 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.373 -1.820 -8.197 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.060 -4.364 -10.732 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.868 -3.580 -9.371 1.00 24.70 H new ATOM 401 N VAL A 26 -1.739 -1.419 -5.220 1.00 6.52 N ATOM 402 CA VAL A 26 -1.369 -0.525 -4.168 1.00 5.53 C ATOM 403 C VAL A 26 0.010 0.028 -4.282 1.00 4.42 C ATOM 404 O VAL A 26 0.183 1.237 -4.430 1.00 3.40 O ATOM 405 CB VAL A 26 -1.774 -0.987 -2.799 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.454 0.069 -1.728 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.267 -1.359 -2.817 1.00 8.12 C ATOM 0 H VAL A 26 -2.186 -2.266 -4.868 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.991 0.356 -4.324 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.196 -1.871 -2.532 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.761 -0.300 -0.750 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.382 0.267 -1.721 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.992 0.990 -1.953 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.570 -1.696 -1.826 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.856 -0.486 -3.099 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.434 -2.159 -3.539 1.00 8.12 H new ATOM 417 N LYS A 27 1.048 -0.826 -4.229 1.00 2.64 N ATOM 418 CA LYS A 27 2.422 -0.517 -4.476 1.00 4.14 C ATOM 419 C LYS A 27 2.746 0.139 -5.774 1.00 5.58 C ATOM 420 O LYS A 27 3.609 1.012 -5.851 1.00 4.11 O ATOM 421 CB LYS A 27 3.370 -1.710 -4.274 1.00 3.97 C ATOM 422 CG LYS A 27 3.404 -2.253 -2.844 1.00 7.45 C ATOM 423 CD LYS A 27 4.383 -3.422 -2.714 1.00 9.02 C ATOM 424 CE LYS A 27 3.734 -4.736 -3.151 1.00 12.90 C ATOM 425 NZ LYS A 27 4.770 -5.790 -3.074 1.00 15.47 N ATOM 0 H LYS A 27 0.914 -1.810 -3.995 1.00 2.64 H new ATOM 0 HA LYS A 27 2.594 0.234 -3.705 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.073 -2.513 -4.948 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.378 -1.410 -4.560 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.692 -1.457 -2.158 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.405 -2.579 -2.553 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.267 -3.229 -3.322 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.719 -3.505 -1.681 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.890 -4.980 -2.506 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.346 -4.653 -4.166 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.358 -6.653 -2.665 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.127 -5.996 -4.029 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.554 -5.463 -2.474 1.00 15.47 H new ATOM 439 N ALA A 28 2.156 -0.200 -6.934 1.00 6.61 N ATOM 440 CA ALA A 28 2.302 0.439 -8.205 1.00 7.74 C ATOM 441 C ALA A 28 1.855 1.860 -8.166 1.00 9.17 C ATOM 442 O ALA A 28 2.426 2.696 -8.865 1.00 11.45 O ATOM 443 CB ALA A 28 1.505 -0.431 -9.193 1.00 7.68 C ATOM 0 H ALA A 28 1.519 -0.995 -6.985 1.00 6.61 H new ATOM 0 HA ALA A 28 3.345 0.505 -8.514 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.572 -0.001 -10.192 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.917 -1.440 -9.204 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.461 -0.469 -8.883 1.00 7.68 H new ATOM 449 N LYS A 29 0.751 2.189 -7.474 1.00 8.96 N ATOM 450 CA LYS A 29 0.450 3.534 -7.091 1.00 7.90 C ATOM 451 C LYS A 29 1.417 4.224 -6.191 1.00 6.92 C ATOM 452 O LYS A 29 1.717 5.382 -6.478 1.00 6.87 O ATOM 453 CB LYS A 29 -0.922 3.583 -6.398 1.00 10.28 C ATOM 454 CG LYS A 29 -2.117 3.239 -7.289 1.00 14.94 C ATOM 455 CD LYS A 29 -3.434 3.464 -6.543 1.00 19.69 C ATOM 456 CE LYS A 29 -4.707 3.654 -7.370 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.042 2.533 -8.276 1.00 24.98 N ATOM 0 H LYS A 29 0.053 1.508 -7.174 1.00 8.96 H new ATOM 0 HA LYS A 29 0.490 4.071 -8.039 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.909 2.894 -5.554 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.069 4.583 -5.991 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.094 3.854 -8.189 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.049 2.200 -7.611 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.591 2.613 -5.880 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.313 4.343 -5.910 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.543 3.812 -6.689 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.603 4.562 -7.964 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.918 2.753 -8.792 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.267 2.391 -8.954 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.178 1.665 -7.719 1.00 24.98 H new ATOM 471 N ILE A 30 2.033 3.587 -5.180 1.00 4.57 N ATOM 472 CA ILE A 30 3.072 4.218 -4.428 1.00 5.58 C ATOM 473 C ILE A 30 4.306 4.574 -5.184 1.00 7.26 C ATOM 474 O ILE A 30 4.772 5.709 -5.103 1.00 9.46 O ATOM 475 CB ILE A 30 3.284 3.466 -3.147 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.009 3.372 -2.292 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.365 4.211 -2.347 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.122 2.382 -1.134 1.00 2.00 C ATOM 0 H ILE A 30 1.812 2.636 -4.883 1.00 4.57 H new ATOM 0 HA ILE A 30 2.727 5.220 -4.172 1.00 5.58 H new ATOM 0 HB ILE A 30 3.579 2.446 -3.393 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.775 4.359 -1.894 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.175 3.079 -2.929 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.545 3.690 -1.406 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.288 4.244 -2.926 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.029 5.227 -2.141 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.187 2.368 -0.575 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.325 1.385 -1.526 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.935 2.685 -0.474 1.00 2.00 H new ATOM 490 N GLN A 31 4.774 3.685 -6.077 1.00 7.06 N ATOM 491 CA GLN A 31 5.861 3.894 -6.983 1.00 8.67 C ATOM 492 C GLN A 31 5.676 5.009 -7.954 1.00 10.90 C ATOM 493 O GLN A 31 6.625 5.764 -8.158 1.00 9.63 O ATOM 494 CB GLN A 31 6.090 2.609 -7.796 1.00 9.12 C ATOM 495 CG GLN A 31 7.243 2.558 -8.801 1.00 10.76 C ATOM 496 CD GLN A 31 7.195 1.249 -9.576 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.489 0.289 -9.269 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.968 1.217 -10.694 1.00 14.76 N ATOM 0 H GLN A 31 4.364 2.756 -6.172 1.00 7.06 H new ATOM 0 HA GLN A 31 6.708 4.163 -6.352 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.236 1.794 -7.087 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.170 2.397 -8.341 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.175 3.401 -9.489 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.196 2.648 -8.280 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.548 2.020 -10.936 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.968 0.390 -11.291 1.00 14.76 H new ATOM 507 N ASP A 32 4.451 5.138 -8.493 1.00 10.93 N ATOM 508 CA ASP A 32 4.095 6.246 -9.325 1.00 14.01 C ATOM 509 C ASP A 32 4.202 7.589 -8.690 1.00 14.04 C ATOM 510 O ASP A 32 4.727 8.583 -9.191 1.00 13.39 O ATOM 511 CB ASP A 32 2.671 5.899 -9.789 1.00 18.01 C ATOM 512 CG ASP A 32 2.047 6.806 -10.841 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.740 6.923 -11.886 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.894 7.266 -10.624 1.00 25.17 O ATOM 0 H ASP A 32 3.698 4.465 -8.350 1.00 10.93 H new ATOM 0 HA ASP A 32 4.801 6.361 -10.148 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.681 4.882 -10.181 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.021 5.897 -8.914 1.00 18.01 H new ATOM 519 N LYS A 33 3.563 7.576 -7.507 1.00 14.22 N ATOM 520 CA LYS A 33 3.424 8.772 -6.735 1.00 14.00 C ATOM 521 C LYS A 33 4.655 9.221 -6.026 1.00 12.37 C ATOM 522 O LYS A 33 5.184 10.276 -6.373 1.00 12.17 O ATOM 523 CB LYS A 33 2.256 8.543 -5.761 1.00 18.62 C ATOM 524 CG LYS A 33 1.753 9.739 -4.950 1.00 24.00 C ATOM 525 CD LYS A 33 1.481 11.011 -5.755 1.00 27.61 C ATOM 526 CE LYS A 33 0.753 12.088 -4.947 1.00 27.64 C ATOM 527 NZ LYS A 33 0.638 13.315 -5.765 1.00 30.06 N ATOM 0 H LYS A 33 3.146 6.745 -7.087 1.00 14.22 H new ATOM 0 HA LYS A 33 3.226 9.596 -7.421 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.416 8.150 -6.334 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.554 7.765 -5.059 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.835 9.449 -4.439 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.488 9.968 -4.178 1.00 24.00 H new ATOM 0 HD2 LYS A 33 2.427 11.414 -6.117 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.885 10.758 -6.632 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.237 11.735 -4.658 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.298 12.300 -4.027 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.144 14.050 -5.220 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.588 13.653 -6.020 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.101 13.106 -6.631 1.00 30.06 H new ATOM 541 N GLU A 34 5.179 8.528 -4.999 1.00 10.11 N ATOM 542 CA GLU A 34 6.226 8.863 -4.085 1.00 10.07 C ATOM 543 C GLU A 34 7.561 8.470 -4.618 1.00 9.32 C ATOM 544 O GLU A 34 8.640 8.811 -4.136 1.00 11.61 O ATOM 545 CB GLU A 34 5.847 8.143 -2.780 1.00 14.77 C ATOM 546 CG GLU A 34 4.575 8.676 -2.116 1.00 18.75 C ATOM 547 CD GLU A 34 4.704 10.143 -1.731 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.715 10.512 -1.076 1.00 21.95 O ATOM 549 OE2 GLU A 34 3.761 10.954 -1.932 1.00 25.19 O ATOM 0 H GLU A 34 4.811 7.601 -4.785 1.00 10.11 H new ATOM 0 HA GLU A 34 6.318 9.937 -3.920 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.717 7.081 -2.989 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.675 8.230 -2.076 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.732 8.553 -2.796 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.356 8.086 -1.226 1.00 18.75 H new ATOM 556 N GLY A 35 7.557 7.598 -5.642 1.00 7.22 N ATOM 557 CA GLY A 35 8.752 7.104 -6.252 1.00 6.29 C ATOM 558 C GLY A 35 9.547 6.027 -5.597 1.00 6.93 C ATOM 559 O GLY A 35 10.672 5.717 -5.988 1.00 7.41 O ATOM 0 H GLY A 35 6.702 7.227 -6.056 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.481 6.745 -7.245 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.418 7.956 -6.391 1.00 6.29 H new ATOM 563 N ILE A 36 8.964 5.367 -4.581 1.00 5.86 N ATOM 564 CA ILE A 36 9.576 4.268 -3.900 1.00 6.07 C ATOM 565 C ILE A 36 9.508 3.033 -4.730 1.00 6.36 C ATOM 566 O ILE A 36 8.389 2.682 -5.102 1.00 6.18 O ATOM 567 CB ILE A 36 9.003 3.989 -2.542 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.785 5.321 -1.804 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.842 2.980 -1.739 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.675 5.245 -0.757 1.00 9.49 C ATOM 0 H ILE A 36 8.039 5.605 -4.222 1.00 5.86 H new ATOM 0 HA ILE A 36 10.613 4.567 -3.745 1.00 6.07 H new ATOM 0 HB ILE A 36 8.035 3.501 -2.661 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.715 5.619 -1.320 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.541 6.097 -2.530 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.380 2.816 -0.765 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.891 2.035 -2.281 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.850 3.372 -1.601 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.568 6.214 -0.270 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.736 4.976 -1.241 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.928 4.490 -0.012 1.00 9.49 H new ATOM 582 N PRO A 37 10.564 2.434 -5.194 1.00 8.65 N ATOM 583 CA PRO A 37 10.515 1.335 -6.114 1.00 9.18 C ATOM 584 C PRO A 37 9.767 0.200 -5.505 1.00 9.85 C ATOM 585 O PRO A 37 9.767 0.180 -4.275 1.00 8.51 O ATOM 586 CB PRO A 37 11.973 1.066 -6.480 1.00 11.42 C ATOM 587 CG PRO A 37 12.731 2.376 -6.214 1.00 9.27 C ATOM 588 CD PRO A 37 11.946 2.830 -4.973 1.00 8.33 C ATOM 0 HA PRO A 37 9.963 1.530 -7.033 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.381 0.252 -5.881 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.064 0.769 -7.525 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.791 2.221 -6.013 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.663 3.082 -7.042 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.344 2.366 -4.071 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.024 3.909 -4.837 1.00 8.33 H new ATOM 596 N PRO A 38 9.161 -0.724 -6.190 1.00 8.71 N ATOM 597 CA PRO A 38 8.251 -1.630 -5.551 1.00 9.08 C ATOM 598 C PRO A 38 8.952 -2.628 -4.694 1.00 9.28 C ATOM 599 O PRO A 38 8.380 -3.173 -3.751 1.00 6.50 O ATOM 600 CB PRO A 38 7.579 -2.279 -6.758 1.00 10.31 C ATOM 601 CG PRO A 38 8.550 -2.205 -7.946 1.00 10.81 C ATOM 602 CD PRO A 38 9.331 -0.922 -7.621 1.00 12.00 C ATOM 0 HA PRO A 38 7.558 -1.147 -4.862 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.324 -3.316 -6.539 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.647 -1.766 -6.996 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.200 -3.079 -8.000 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.027 -2.137 -8.900 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.384 -1.025 -7.882 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.945 -0.073 -8.185 1.00 12.00 H new ATOM 610 N ASP A 39 10.227 -2.985 -4.932 1.00 11.20 N ATOM 611 CA ASP A 39 10.997 -3.989 -4.266 1.00 14.96 C ATOM 612 C ASP A 39 11.230 -3.562 -2.857 1.00 13.99 C ATOM 613 O ASP A 39 11.122 -4.323 -1.897 1.00 13.75 O ATOM 614 CB ASP A 39 12.253 -4.344 -5.080 1.00 24.16 C ATOM 615 CG ASP A 39 13.167 -3.140 -5.257 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.783 -2.160 -5.950 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.357 -3.278 -4.866 1.00 35.55 O ATOM 0 H ASP A 39 10.769 -2.524 -5.663 1.00 11.20 H new ATOM 0 HA ASP A 39 10.456 -4.933 -4.204 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.798 -5.144 -4.579 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.958 -4.724 -6.058 1.00 24.16 H new ATOM 622 N GLN A 40 11.506 -2.252 -2.732 1.00 11.60 N ATOM 623 CA GLN A 40 11.811 -1.582 -1.505 1.00 10.76 C ATOM 624 C GLN A 40 10.704 -1.586 -0.509 1.00 8.01 C ATOM 625 O GLN A 40 10.951 -1.417 0.684 1.00 8.96 O ATOM 626 CB GLN A 40 12.183 -0.125 -1.828 1.00 11.14 C ATOM 627 CG GLN A 40 13.138 0.540 -0.835 1.00 14.85 C ATOM 628 CD GLN A 40 13.695 1.862 -1.343 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.454 2.870 -0.680 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.490 1.859 -2.446 1.00 18.16 N ATOM 0 H GLN A 40 11.517 -1.623 -3.535 1.00 11.60 H new ATOM 0 HA GLN A 40 12.634 -2.130 -1.046 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.636 -0.094 -2.819 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.267 0.464 -1.877 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.615 0.710 0.106 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.964 -0.139 -0.623 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.653 0.990 -2.955 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.924 2.726 -2.764 1.00 18.16 H new ATOM 639 N GLN A 41 9.458 -1.740 -0.991 1.00 6.52 N ATOM 640 CA GLN A 41 8.285 -1.633 -0.179 1.00 3.87 C ATOM 641 C GLN A 41 7.793 -2.856 0.516 1.00 4.79 C ATOM 642 O GLN A 41 7.640 -3.969 0.015 1.00 6.34 O ATOM 643 CB GLN A 41 7.106 -1.203 -1.068 1.00 4.20 C ATOM 644 CG GLN A 41 7.406 0.195 -1.614 1.00 3.20 C ATOM 645 CD GLN A 41 6.166 0.797 -2.258 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.171 1.098 -1.600 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.248 0.894 -3.613 1.00 7.13 N ATOM 0 H GLN A 41 9.260 -1.944 -1.971 1.00 6.52 H new ATOM 0 HA GLN A 41 8.600 -0.932 0.594 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.969 -1.910 -1.886 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.179 -1.197 -0.494 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.752 0.840 -0.806 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.212 0.140 -2.346 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.107 0.626 -4.092 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.450 1.235 -4.149 1.00 7.13 H new ATOM 656 N ARG A 42 7.509 -2.704 1.822 1.00 5.73 N ATOM 657 CA ARG A 42 6.780 -3.635 2.626 1.00 6.97 C ATOM 658 C ARG A 42 5.557 -2.990 3.180 1.00 7.15 C ATOM 659 O ARG A 42 5.619 -2.121 4.048 1.00 7.33 O ATOM 660 CB ARG A 42 7.714 -4.070 3.768 1.00 13.23 C ATOM 661 CG ARG A 42 7.140 -5.234 4.579 1.00 21.27 C ATOM 662 CD ARG A 42 7.929 -5.425 5.876 1.00 26.14 C ATOM 663 NE ARG A 42 7.248 -6.633 6.419 1.00 32.26 N ATOM 664 CZ ARG A 42 7.596 -7.170 7.625 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.565 -6.559 8.367 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.015 -8.344 8.009 1.00 36.39 N ATOM 0 H ARG A 42 7.806 -1.882 2.347 1.00 5.73 H new ATOM 0 HA ARG A 42 6.463 -4.494 2.034 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.679 -4.361 3.354 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.893 -3.223 4.430 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.092 -5.043 4.809 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.175 -6.149 3.987 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.991 -5.591 5.697 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.849 -4.566 6.543 1.00 26.14 H new ATOM 0 HE ARG A 42 6.503 -7.070 5.876 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.017 -5.714 8.018 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.837 -6.947 9.270 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.337 -8.801 7.399 1.00 36.39 H new ATOM 0 HH22 ARG A 42 7.259 -8.765 8.906 1.00 36.39 H new ATOM 680 N LEU A 43 4.323 -3.262 2.718 1.00 4.65 N ATOM 681 CA LEU A 43 3.140 -2.714 3.305 1.00 3.51 C ATOM 682 C LEU A 43 2.553 -3.580 4.366 1.00 5.56 C ATOM 683 O LEU A 43 2.363 -4.782 4.186 1.00 4.19 O ATOM 684 CB LEU A 43 2.049 -2.590 2.228 1.00 3.74 C ATOM 685 CG LEU A 43 2.241 -1.541 1.120 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.318 -1.802 -0.082 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.014 -0.119 1.660 1.00 9.55 C ATOM 0 H LEU A 43 4.144 -3.874 1.922 1.00 4.65 H new ATOM 0 HA LEU A 43 3.438 -1.758 3.736 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.940 -3.564 1.750 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.106 -2.375 2.731 1.00 3.74 H new ATOM 0 HG LEU A 43 3.272 -1.627 0.777 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.485 -1.039 -0.842 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.535 -2.785 -0.501 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.278 -1.768 0.244 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.156 0.603 0.856 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.999 -0.035 2.048 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.726 0.084 2.460 1.00 9.55 H new ATOM 699 N ILE A 44 2.230 -2.921 5.494 1.00 4.58 N ATOM 700 CA ILE A 44 1.596 -3.451 6.661 1.00 5.55 C ATOM 701 C ILE A 44 0.193 -2.949 6.689 1.00 5.46 C ATOM 702 O ILE A 44 -0.042 -1.799 6.323 1.00 6.04 O ATOM 703 CB ILE A 44 2.398 -3.024 7.854 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.795 -3.665 7.897 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.722 -3.194 9.225 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.885 -3.057 8.779 1.00 13.90 C ATOM 0 H ILE A 44 2.432 -1.926 5.596 1.00 4.58 H new ATOM 0 HA ILE A 44 1.556 -4.540 6.663 1.00 5.55 H new ATOM 0 HB ILE A 44 2.485 -1.950 7.690 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.667 -4.702 8.207 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.176 -3.683 6.876 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.398 -2.852 10.009 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.805 -2.605 9.254 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.483 -4.245 9.385 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.800 -3.641 8.681 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.075 -2.030 8.467 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.558 -3.065 9.819 1.00 13.90 H new ATOM 718 N PHE A 45 -0.704 -3.851 7.126 1.00 6.75 N ATOM 719 CA PHE A 45 -2.028 -3.553 7.575 1.00 4.70 C ATOM 720 C PHE A 45 -1.971 -3.335 9.048 1.00 6.34 C ATOM 721 O PHE A 45 -1.790 -2.251 9.600 1.00 5.45 O ATOM 722 CB PHE A 45 -3.048 -4.591 7.077 1.00 5.51 C ATOM 723 CG PHE A 45 -4.431 -4.386 7.593 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.962 -3.123 7.477 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.186 -5.410 8.115 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.269 -2.878 7.829 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.512 -5.168 8.387 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.985 -3.878 8.443 1.00 6.84 C ATOM 0 H PHE A 45 -0.491 -4.848 7.168 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.406 -2.630 7.136 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.072 -4.567 5.988 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.708 -5.585 7.366 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.347 -2.316 7.106 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.749 -6.379 8.306 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.723 -1.919 7.627 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.185 -5.995 8.557 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.905 -3.654 8.962 1.00 6.84 H new ATOM 738 N ALA A 46 -2.008 -4.465 9.777 1.00 6.53 N ATOM 739 CA ALA A 46 -1.898 -4.563 11.200 1.00 7.15 C ATOM 740 C ALA A 46 -0.718 -5.316 11.711 1.00 9.00 C ATOM 741 O ALA A 46 0.236 -4.735 12.227 1.00 11.15 O ATOM 742 CB ALA A 46 -3.147 -5.337 11.654 1.00 8.99 C ATOM 0 H ALA A 46 -2.124 -5.378 9.337 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.793 -3.549 11.585 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.131 -5.451 12.738 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.042 -4.788 11.360 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.155 -6.321 11.186 1.00 8.99 H new ATOM 748 N GLY A 47 -0.705 -6.651 11.553 1.00 9.35 N ATOM 749 CA GLY A 47 0.208 -7.530 12.215 1.00 11.68 C ATOM 750 C GLY A 47 0.725 -8.633 11.357 1.00 11.14 C ATOM 751 O GLY A 47 1.899 -8.996 11.335 1.00 13.93 O ATOM 0 H GLY A 47 -1.357 -7.138 10.939 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.051 -6.947 12.586 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.287 -7.963 13.084 1.00 11.68 H new ATOM 755 N LYS A 48 -0.202 -9.204 10.567 1.00 10.47 N ATOM 756 CA LYS A 48 0.026 -10.409 9.831 1.00 8.82 C ATOM 757 C LYS A 48 0.265 -10.167 8.380 1.00 7.68 C ATOM 758 O LYS A 48 -0.178 -9.137 7.875 1.00 6.47 O ATOM 759 CB LYS A 48 -1.127 -11.425 9.892 1.00 9.74 C ATOM 760 CG LYS A 48 -1.796 -11.682 11.244 1.00 14.14 C ATOM 761 CD LYS A 48 -2.806 -12.830 11.298 1.00 16.32 C ATOM 762 CE LYS A 48 -4.140 -12.398 10.687 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.000 -13.600 10.764 1.00 23.92 N ATOM 0 H LYS A 48 -1.137 -8.817 10.436 1.00 10.47 H new ATOM 0 HA LYS A 48 0.909 -10.815 10.325 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.899 -11.095 9.197 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.750 -12.378 9.521 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.016 -11.879 11.979 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.302 -10.768 11.554 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.414 -13.693 10.759 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.956 -13.142 12.332 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.576 -11.564 11.238 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.014 -12.068 9.656 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.935 -13.384 10.363 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.563 -14.375 10.225 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.107 -13.887 11.758 1.00 23.92 H new ATOM 777 N GLN A 49 0.964 -11.075 7.674 1.00 8.89 N ATOM 778 CA GLN A 49 1.638 -10.686 6.475 1.00 7.18 C ATOM 779 C GLN A 49 0.867 -10.708 5.200 1.00 8.23 C ATOM 780 O GLN A 49 0.242 -11.732 4.930 1.00 9.70 O ATOM 781 CB GLN A 49 2.880 -11.567 6.253 1.00 11.67 C ATOM 782 CG GLN A 49 3.756 -11.687 7.502 1.00 15.82 C ATOM 783 CD GLN A 49 4.274 -10.324 7.938 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.571 -9.424 7.154 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.163 -10.033 9.262 1.00 20.67 N ATOM 0 H GLN A 49 1.061 -12.058 7.927 1.00 8.89 H new ATOM 0 HA GLN A 49 1.860 -9.637 6.672 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.562 -12.562 5.941 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.473 -11.152 5.438 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.182 -12.138 8.311 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.596 -12.351 7.299 1.00 15.82 H new ATOM 0 HE21 GLN A 49 3.917 -10.767 9.927 1.00 20.67 H new ATOM 0 HE22 GLN A 49 4.325 -9.081 9.590 1.00 20.67 H new ATOM 794 N LEU A 50 0.969 -9.609 4.431 1.00 6.51 N ATOM 795 CA LEU A 50 0.143 -9.556 3.265 1.00 7.41 C ATOM 796 C LEU A 50 0.888 -10.090 2.090 1.00 8.27 C ATOM 797 O LEU A 50 2.092 -9.911 1.919 1.00 8.34 O ATOM 798 CB LEU A 50 -0.158 -8.080 2.954 1.00 7.13 C ATOM 799 CG LEU A 50 -0.819 -7.192 4.021 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.896 -5.744 3.511 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.212 -7.724 4.400 1.00 8.14 C ATOM 0 H LEU A 50 1.578 -8.808 4.597 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.763 -10.135 3.445 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.784 -7.608 2.677 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.797 -8.058 2.071 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.210 -7.214 4.925 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.365 -5.116 4.268 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.110 -5.376 3.306 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.487 -5.711 2.596 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.655 -7.076 5.156 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.849 -7.738 3.516 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.120 -8.735 4.797 1.00 8.14 H new ATOM 813 N GLU A 51 0.225 -10.761 1.131 1.00 9.43 N ATOM 814 CA GLU A 51 0.793 -11.290 -0.070 1.00 11.90 C ATOM 815 C GLU A 51 0.534 -10.286 -1.141 1.00 11.49 C ATOM 816 O GLU A 51 -0.433 -9.526 -1.175 1.00 9.88 O ATOM 817 CB GLU A 51 0.302 -12.716 -0.371 1.00 16.56 C ATOM 818 CG GLU A 51 0.708 -13.617 0.797 1.00 26.06 C ATOM 819 CD GLU A 51 0.425 -15.103 0.624 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.713 -15.628 0.749 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.467 -15.807 0.548 1.00 32.13 O ATOM 0 H GLU A 51 -0.776 -10.946 1.201 1.00 9.43 H new ATOM 0 HA GLU A 51 1.870 -11.431 0.020 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.780 -12.726 -0.501 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.738 -13.080 -1.301 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.776 -13.489 0.974 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.192 -13.271 1.693 1.00 26.06 H new ATOM 828 N ASP A 52 1.355 -10.211 -2.203 1.00 12.71 N ATOM 829 CA ASP A 52 1.218 -9.276 -3.276 1.00 16.56 C ATOM 830 C ASP A 52 -0.043 -9.418 -4.056 1.00 15.83 C ATOM 831 O ASP A 52 -0.730 -8.410 -4.209 1.00 17.21 O ATOM 832 CB ASP A 52 2.428 -9.359 -4.222 1.00 21.05 C ATOM 833 CG ASP A 52 3.751 -8.889 -3.634 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.696 -8.128 -2.631 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.826 -9.401 -4.046 1.00 28.37 O ATOM 0 H ASP A 52 2.154 -10.834 -2.319 1.00 12.71 H new ATOM 0 HA ASP A 52 1.174 -8.295 -2.802 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.542 -10.393 -4.549 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.214 -8.766 -5.111 1.00 21.05 H new ATOM 840 N GLY A 53 -0.262 -10.560 -4.733 1.00 15.00 N ATOM 841 CA GLY A 53 -1.384 -10.644 -5.617 1.00 11.77 C ATOM 842 C GLY A 53 -2.601 -11.077 -4.874 1.00 11.10 C ATOM 843 O GLY A 53 -3.481 -11.761 -5.395 1.00 11.25 O ATOM 0 H GLY A 53 0.315 -11.399 -4.673 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.561 -9.675 -6.083 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.170 -11.350 -6.420 1.00 11.77 H new ATOM 847 N ARG A 54 -2.862 -10.708 -3.607 1.00 8.53 N ATOM 848 CA ARG A 54 -4.129 -10.830 -2.957 1.00 9.05 C ATOM 849 C ARG A 54 -4.793 -9.505 -2.803 1.00 8.96 C ATOM 850 O ARG A 54 -4.227 -8.415 -2.865 1.00 11.60 O ATOM 851 CB ARG A 54 -4.030 -11.501 -1.577 1.00 7.97 C ATOM 852 CG ARG A 54 -3.572 -12.943 -1.804 1.00 9.62 C ATOM 853 CD ARG A 54 -3.869 -13.817 -0.583 1.00 12.20 C ATOM 854 NE ARG A 54 -3.055 -15.064 -0.522 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.229 -16.222 -1.223 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.145 -16.316 -2.231 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.256 -17.174 -1.119 1.00 25.50 N ATOM 0 H ARG A 54 -2.148 -10.302 -3.003 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.729 -11.469 -3.605 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.323 -10.969 -0.941 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.994 -11.479 -1.069 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.075 -13.354 -2.679 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.503 -12.959 -2.014 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.692 -13.234 0.321 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.926 -14.084 -0.588 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.268 -15.050 0.126 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.719 -15.509 -2.476 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.255 -17.193 -2.740 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.438 -17.005 -0.534 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.347 -18.054 -1.627 1.00 25.50 H new ATOM 871 N THR A 55 -6.116 -9.429 -2.573 1.00 9.05 N ATOM 872 CA THR A 55 -6.801 -8.180 -2.703 1.00 9.03 C ATOM 873 C THR A 55 -6.985 -7.508 -1.386 1.00 8.15 C ATOM 874 O THR A 55 -6.657 -7.991 -0.303 1.00 5.91 O ATOM 875 CB THR A 55 -8.091 -8.241 -3.466 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.204 -8.898 -2.879 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.754 -8.831 -4.846 1.00 11.71 C ATOM 0 H THR A 55 -6.703 -10.217 -2.302 1.00 9.05 H new ATOM 0 HA THR A 55 -6.137 -7.571 -3.316 1.00 9.03 H new ATOM 0 HB THR A 55 -8.466 -7.218 -3.498 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.929 -9.780 -2.553 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.662 -8.898 -5.445 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.033 -8.188 -5.351 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.327 -9.826 -4.722 1.00 11.71 H new ATOM 885 N LEU A 56 -7.470 -6.259 -1.500 1.00 6.91 N ATOM 886 CA LEU A 56 -7.937 -5.498 -0.383 1.00 8.29 C ATOM 887 C LEU A 56 -9.061 -6.229 0.267 1.00 8.05 C ATOM 888 O LEU A 56 -9.232 -6.186 1.484 1.00 10.17 O ATOM 889 CB LEU A 56 -8.226 -4.018 -0.686 1.00 6.60 C ATOM 890 CG LEU A 56 -7.026 -3.223 -1.229 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.526 -1.952 -1.935 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.060 -2.810 -0.106 1.00 9.85 C ATOM 0 H LEU A 56 -7.539 -5.766 -2.390 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.121 -5.418 0.335 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.038 -3.962 -1.411 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.579 -3.537 0.226 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.493 -3.869 -1.926 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.675 -1.390 -2.319 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.181 -2.228 -2.761 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.078 -1.335 -1.226 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.226 -2.251 -0.531 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.586 -2.185 0.615 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.682 -3.701 0.395 1.00 9.85 H new ATOM 904 N SER A 57 -9.897 -6.879 -0.562 1.00 8.92 N ATOM 905 CA SER A 57 -11.147 -7.441 -0.154 1.00 9.00 C ATOM 906 C SER A 57 -10.995 -8.777 0.487 1.00 9.44 C ATOM 907 O SER A 57 -11.951 -9.314 1.045 1.00 10.91 O ATOM 908 CB SER A 57 -12.004 -7.574 -1.424 1.00 10.32 C ATOM 909 OG SER A 57 -13.325 -8.003 -1.129 1.00 13.59 O ATOM 0 H SER A 57 -9.695 -7.018 -1.552 1.00 8.92 H new ATOM 0 HA SER A 57 -11.606 -6.793 0.593 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.041 -6.614 -1.939 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.535 -8.284 -2.105 1.00 10.32 H new ATOM 0 HG SER A 57 -13.310 -8.595 -0.348 1.00 13.59 H new ATOM 915 N ASP A 58 -9.779 -9.343 0.386 1.00 9.11 N ATOM 916 CA ASP A 58 -9.391 -10.555 1.038 1.00 7.91 C ATOM 917 C ASP A 58 -9.064 -10.410 2.484 1.00 9.12 C ATOM 918 O ASP A 58 -9.516 -11.063 3.423 1.00 8.61 O ATOM 919 CB ASP A 58 -8.183 -11.050 0.226 1.00 8.41 C ATOM 920 CG ASP A 58 -8.682 -11.871 -0.954 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.158 -13.013 -0.715 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.451 -11.395 -2.098 1.00 10.05 O ATOM 0 H ASP A 58 -9.032 -8.936 -0.177 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.222 -11.260 1.053 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.594 -10.203 -0.127 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.529 -11.654 0.855 1.00 8.41 H new ATOM 927 N TYR A 59 -8.201 -9.438 2.832 1.00 7.97 N ATOM 928 CA TYR A 59 -7.716 -9.074 4.127 1.00 8.45 C ATOM 929 C TYR A 59 -8.664 -8.182 4.852 1.00 10.98 C ATOM 930 O TYR A 59 -8.617 -8.148 6.081 1.00 12.95 O ATOM 931 CB TYR A 59 -6.347 -8.374 4.090 1.00 7.94 C ATOM 932 CG TYR A 59 -5.339 -9.317 3.529 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.949 -10.403 4.276 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.839 -9.195 2.253 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.978 -11.258 3.810 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.851 -10.013 1.759 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.393 -11.007 2.592 1.00 6.76 C ATOM 938 OH TYR A 59 -2.319 -11.807 2.146 1.00 7.63 O ATOM 0 H TYR A 59 -7.797 -8.837 2.114 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.615 -10.023 4.653 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.401 -7.472 3.480 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.055 -8.063 5.093 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.409 -10.586 5.236 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.240 -8.424 1.612 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.679 -12.116 4.394 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.453 -9.881 0.764 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.558 -12.753 2.232 1.00 7.63 H new ATOM 948 N ASN A 60 -9.571 -7.502 4.128 1.00 12.38 N ATOM 949 CA ASN A 60 -10.562 -6.604 4.634 1.00 13.94 C ATOM 950 C ASN A 60 -10.142 -5.267 5.140 1.00 14.16 C ATOM 951 O ASN A 60 -9.975 -5.025 6.335 1.00 14.26 O ATOM 952 CB ASN A 60 -11.599 -7.300 5.530 1.00 19.23 C ATOM 953 CG ASN A 60 -12.099 -8.566 4.849 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.829 -8.612 3.860 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.736 -9.690 5.523 1.00 24.09 N ATOM 0 H ASN A 60 -9.613 -7.587 3.112 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.051 -6.305 3.707 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.154 -7.546 6.494 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.434 -6.627 5.726 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.070 -10.602 5.211 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.129 -9.621 6.340 1.00 24.09 H new ATOM 962 N ILE A 61 -9.663 -4.538 4.116 1.00 11.08 N ATOM 963 CA ILE A 61 -9.148 -3.209 4.241 1.00 11.78 C ATOM 964 C ILE A 61 -10.198 -2.329 3.655 1.00 13.74 C ATOM 965 O ILE A 61 -10.291 -2.053 2.460 1.00 14.60 O ATOM 966 CB ILE A 61 -7.878 -3.186 3.444 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.866 -4.218 3.970 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.195 -1.812 3.546 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.626 -4.503 3.123 1.00 11.42 C ATOM 0 H ILE A 61 -9.633 -4.890 3.159 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.929 -2.884 5.258 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.157 -3.413 2.415 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.530 -3.886 4.952 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.395 -5.160 4.116 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.276 -1.818 2.960 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.865 -1.043 3.161 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.959 -1.599 4.589 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.008 -5.250 3.622 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.931 -4.878 2.146 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.053 -3.584 2.996 1.00 11.42 H new ATOM 981 N GLN A 62 -11.117 -1.795 4.479 1.00 13.97 N ATOM 982 CA GLN A 62 -12.138 -0.930 3.975 1.00 15.52 C ATOM 983 C GLN A 62 -11.732 0.499 3.860 1.00 13.94 C ATOM 984 O GLN A 62 -10.585 0.925 3.985 1.00 12.15 O ATOM 985 CB GLN A 62 -13.395 -1.158 4.831 1.00 19.53 C ATOM 986 CG GLN A 62 -13.908 -2.589 4.655 1.00 26.38 C ATOM 987 CD GLN A 62 -15.160 -2.846 5.482 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.183 -2.979 6.705 1.00 33.23 O ATOM 989 NE2 GLN A 62 -16.344 -2.743 4.822 1.00 32.71 N ATOM 0 H GLN A 62 -11.154 -1.960 5.485 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.349 -1.187 2.937 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.166 -0.973 5.881 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.171 -0.449 4.544 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.124 -2.771 3.602 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.129 -3.293 4.947 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.355 -2.632 3.808 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -17.222 -2.777 5.341 1.00 32.71 H new ATOM 998 N LYS A 63 -12.710 1.403 3.670 1.00 11.73 N ATOM 999 CA LYS A 63 -12.460 2.798 3.482 1.00 11.97 C ATOM 1000 C LYS A 63 -11.806 3.465 4.643 1.00 10.41 C ATOM 1001 O LYS A 63 -12.194 3.226 5.786 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.620 3.569 2.829 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.762 3.928 3.782 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.980 4.565 3.109 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.123 4.963 4.045 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.633 5.691 5.237 1.00 25.97 N ATOM 0 H LYS A 63 -13.700 1.157 3.647 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.687 2.841 2.715 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.228 4.487 2.391 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.021 2.971 2.011 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.082 3.024 4.301 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.383 4.613 4.540 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.651 5.453 2.569 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.369 3.867 2.367 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.834 5.588 3.505 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.661 4.069 4.361 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.382 6.320 5.592 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.373 5.009 5.978 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.799 6.257 4.980 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.782 4.288 4.356 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.207 5.164 5.329 1.00 10.94 C ATOM 1022 C GLU A 64 -9.421 4.522 6.421 1.00 9.74 C ATOM 1023 O GLU A 64 -9.087 5.153 7.423 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.277 6.203 5.703 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.842 7.031 4.547 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.175 7.677 4.894 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.167 8.714 5.609 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.284 7.201 4.530 1.00 31.72 O ATOM 0 H GLU A 64 -10.347 4.346 3.435 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.367 5.705 4.894 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.103 5.685 6.190 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.851 6.886 6.438 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.126 7.806 4.275 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.968 6.392 3.673 1.00 24.16 H new ATOM 1035 N SER A 65 -9.071 3.247 6.175 1.00 6.85 N ATOM 1036 CA SER A 65 -8.033 2.450 6.751 1.00 6.90 C ATOM 1037 C SER A 65 -6.677 3.015 6.502 1.00 4.72 C ATOM 1038 O SER A 65 -6.441 3.446 5.374 1.00 3.91 O ATOM 1039 CB SER A 65 -8.054 0.989 6.273 1.00 7.28 C ATOM 1040 OG SER A 65 -9.315 0.338 6.321 1.00 10.56 O ATOM 0 H SER A 65 -9.587 2.709 5.479 1.00 6.85 H new ATOM 0 HA SER A 65 -8.240 2.467 7.821 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.690 0.958 5.246 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.349 0.419 6.878 1.00 7.28 H new ATOM 0 HG SER A 65 -9.798 0.498 5.483 1.00 10.56 H new ATOM 1046 N THR A 66 -5.748 2.980 7.474 1.00 4.48 N ATOM 1047 CA THR A 66 -4.413 3.424 7.223 1.00 3.80 C ATOM 1048 C THR A 66 -3.411 2.321 7.216 1.00 4.60 C ATOM 1049 O THR A 66 -3.047 1.787 8.262 1.00 5.33 O ATOM 1050 CB THR A 66 -4.024 4.343 8.343 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.904 5.455 8.427 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.613 4.955 8.338 1.00 3.40 C ATOM 0 H THR A 66 -5.918 2.648 8.423 1.00 4.48 H new ATOM 0 HA THR A 66 -4.410 3.894 6.239 1.00 3.80 H new ATOM 0 HB THR A 66 -4.071 3.651 9.184 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.628 6.036 9.166 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.490 5.594 9.213 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.870 4.158 8.364 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.477 5.548 7.434 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.818 1.974 6.059 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.752 1.032 5.918 1.00 3.85 C ATOM 1062 C LEU A 67 -0.476 1.696 6.308 1.00 3.80 C ATOM 1063 O LEU A 67 -0.387 2.921 6.238 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.585 0.495 4.487 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.752 -0.116 3.694 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.334 -0.475 2.258 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.429 -1.259 4.470 1.00 8.12 C ATOM 0 H LEU A 67 -3.102 2.378 5.166 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.998 0.185 6.558 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.198 1.319 3.888 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.804 -0.264 4.528 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.526 0.643 3.581 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.184 -0.904 1.728 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.000 0.424 1.741 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.521 -1.200 2.286 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.249 -1.665 3.878 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.701 -2.045 4.669 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.818 -0.877 5.414 1.00 8.12 H new ATOM 1079 N HIS A 68 0.523 0.924 6.771 1.00 2.94 N ATOM 1080 CA HIS A 68 1.785 1.528 7.068 1.00 4.17 C ATOM 1081 C HIS A 68 2.818 0.846 6.238 1.00 5.32 C ATOM 1082 O HIS A 68 2.828 -0.360 5.996 1.00 7.70 O ATOM 1083 CB HIS A 68 2.174 1.381 8.548 1.00 5.57 C ATOM 1084 CG HIS A 68 3.550 1.797 8.977 1.00 9.95 C ATOM 1085 ND1 HIS A 68 4.101 2.969 8.500 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.494 1.177 9.736 1.00 12.79 C ATOM 1087 CE1 HIS A 68 5.376 2.977 8.973 1.00 14.75 C ATOM 1088 NE2 HIS A 68 5.661 1.912 9.699 1.00 16.30 N ATOM 0 H HIS A 68 0.464 -0.081 6.935 1.00 2.94 H new ATOM 0 HA HIS A 68 1.715 2.594 6.851 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.457 1.954 9.136 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.045 0.334 8.821 1.00 5.57 H new ATOM 0 HD1 HIS A 68 3.650 3.676 7.919 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.352 0.255 10.281 1.00 12.79 H new ATOM 0 HE1 HIS A 68 6.081 3.771 8.775 1.00 14.75 H new ATOM 1096 N LEU A 69 3.737 1.643 5.665 1.00 5.29 N ATOM 1097 CA LEU A 69 4.735 1.184 4.750 1.00 3.97 C ATOM 1098 C LEU A 69 6.081 1.394 5.354 1.00 5.07 C ATOM 1099 O LEU A 69 6.410 2.511 5.751 1.00 4.34 O ATOM 1100 CB LEU A 69 4.660 2.080 3.502 1.00 6.08 C ATOM 1101 CG LEU A 69 5.793 1.951 2.470 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.917 0.511 1.944 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.521 2.900 1.290 1.00 6.87 C ATOM 0 H LEU A 69 3.787 2.646 5.846 1.00 5.29 H new ATOM 0 HA LEU A 69 4.577 0.132 4.514 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.717 1.874 2.995 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.623 3.118 3.834 1.00 6.08 H new ATOM 0 HG LEU A 69 6.729 2.216 2.962 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.727 0.458 1.217 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.129 -0.163 2.774 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.982 0.216 1.467 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.323 2.809 0.558 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.572 2.637 0.823 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.475 3.927 1.652 1.00 6.87 H new ATOM 1115 N VAL A 70 6.853 0.295 5.427 1.00 4.29 N ATOM 1116 CA VAL A 70 8.174 0.254 5.975 1.00 6.26 C ATOM 1117 C VAL A 70 9.167 -0.006 4.896 1.00 9.22 C ATOM 1118 O VAL A 70 8.949 -0.815 3.996 1.00 9.36 O ATOM 1119 CB VAL A 70 8.237 -0.795 7.045 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.620 -1.094 7.647 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.236 -0.434 8.155 1.00 8.54 C ATOM 0 H VAL A 70 6.539 -0.613 5.085 1.00 4.29 H new ATOM 0 HA VAL A 70 8.418 1.217 6.424 1.00 6.26 H new ATOM 0 HB VAL A 70 7.977 -1.726 6.542 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.526 -1.869 8.407 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.293 -1.436 6.861 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.023 -0.188 8.100 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.273 -1.191 8.939 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.494 0.538 8.576 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.230 -0.393 7.738 1.00 8.54 H new ATOM 1131 N LEU A 71 10.322 0.681 4.951 1.00 12.71 N ATOM 1132 CA LEU A 71 11.227 0.468 3.864 1.00 16.06 C ATOM 1133 C LEU A 71 12.263 -0.568 4.134 1.00 18.09 C ATOM 1134 O LEU A 71 12.864 -0.601 5.207 1.00 19.26 O ATOM 1135 CB LEU A 71 11.953 1.763 3.463 1.00 17.10 C ATOM 1136 CG LEU A 71 11.172 2.760 2.592 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.139 3.521 3.441 1.00 19.57 C ATOM 1138 CD2 LEU A 71 12.152 3.762 1.958 1.00 17.51 C ATOM 0 H LEU A 71 10.615 1.331 5.681 1.00 12.71 H new ATOM 0 HA LEU A 71 10.590 0.116 3.053 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.258 2.276 4.375 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.864 1.490 2.931 1.00 17.10 H new ATOM 0 HG LEU A 71 10.648 2.210 1.811 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.595 4.223 2.809 1.00 19.57 H new ATOM 0 HD12 LEU A 71 9.439 2.812 3.883 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.651 4.068 4.233 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.600 4.470 1.340 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.680 4.302 2.744 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.872 3.225 1.340 1.00 17.51 H new