USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -52:sc= 0.423 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 68 HIS : no HE2:sc= 1.06 K(o=2.3,f=-8.7!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0315 (180deg=-0.115) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.24 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.0049) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.635 (180deg=-0.803!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.765 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 X(o=0,f=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.63) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0.146 (180deg=0.0711) USER MOD Single : A 31 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= 1.31 K(o=1.3,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.32 USER MOD Single : A 60 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -134:sc= 0.0212 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.001 -6.797 -4.830 1.00 9.67 N ATOM 2 CA MET A 1 11.713 -7.309 -3.482 1.00 10.38 C ATOM 3 C MET A 1 10.282 -7.703 -3.271 1.00 9.62 C ATOM 4 O MET A 1 9.344 -7.397 -4.033 1.00 9.62 O ATOM 5 CB MET A 1 12.099 -6.271 -2.411 1.00 13.77 C ATOM 6 CG MET A 1 11.214 -5.005 -2.252 1.00 16.29 C ATOM 7 SD MET A 1 11.978 -3.657 -1.303 1.00 17.17 S ATOM 8 CE MET A 1 10.508 -2.665 -1.119 1.00 16.11 C ATOM 0 H1 MET A 1 12.976 -6.436 -4.863 1.00 9.67 H new ATOM 0 H2 MET A 1 11.892 -7.564 -5.523 1.00 9.67 H new ATOM 0 H3 MET A 1 11.339 -6.028 -5.058 1.00 9.67 H new ATOM 0 HA MET A 1 12.317 -8.211 -3.386 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.123 -6.782 -1.448 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.116 -5.940 -2.622 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.956 -4.632 -3.243 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.281 -5.290 -1.766 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.682 -1.892 -0.370 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.263 -2.198 -2.073 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.679 -3.298 -0.801 1.00 16.11 H new ATOM 20 N GLN A 2 9.905 -8.466 -2.206 1.00 9.27 N ATOM 21 CA GLN A 2 8.586 -9.013 -1.901 1.00 9.07 C ATOM 22 C GLN A 2 8.130 -8.322 -0.620 1.00 8.72 C ATOM 23 O GLN A 2 8.859 -8.187 0.355 1.00 8.22 O ATOM 24 CB GLN A 2 8.654 -10.496 -1.861 1.00 14.46 C ATOM 25 CG GLN A 2 7.314 -11.246 -1.970 1.00 17.01 C ATOM 26 CD GLN A 2 7.486 -12.706 -2.063 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.192 -13.478 -1.134 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.909 -13.292 -3.213 1.00 19.49 N ATOM 0 H GLN A 2 10.585 -8.725 -1.491 1.00 9.27 H new ATOM 0 HA GLN A 2 7.833 -8.815 -2.663 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.300 -10.830 -2.673 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.136 -10.791 -0.929 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.699 -11.011 -1.101 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.774 -10.891 -2.848 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.166 -12.716 -4.014 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.970 -14.308 -3.275 1.00 19.49 H new ATOM 37 N ILE A 3 6.937 -7.738 -0.589 1.00 5.87 N ATOM 38 CA ILE A 3 6.362 -7.081 0.617 1.00 5.07 C ATOM 39 C ILE A 3 4.878 -7.466 0.895 1.00 4.01 C ATOM 40 O ILE A 3 4.146 -7.929 0.069 1.00 4.61 O ATOM 41 CB ILE A 3 6.414 -5.547 0.602 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.740 -5.027 -0.652 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.961 -5.118 0.623 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.872 -3.498 -0.755 1.00 10.83 C ATOM 0 H ILE A 3 6.322 -7.698 -1.402 1.00 5.87 H new ATOM 0 HA ILE A 3 7.014 -7.462 1.403 1.00 5.07 H new ATOM 0 HB ILE A 3 5.894 -5.130 1.464 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.187 -5.494 -1.530 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.686 -5.305 -0.645 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.037 -4.031 0.613 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.434 -5.507 1.525 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.463 -5.525 -0.255 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.380 -3.151 -1.664 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.403 -3.033 0.112 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.927 -3.225 -0.787 1.00 10.83 H new ATOM 56 N PHE A 4 4.448 -7.144 2.158 1.00 4.55 N ATOM 57 CA PHE A 4 3.157 -7.645 2.701 1.00 4.68 C ATOM 58 C PHE A 4 2.236 -6.461 2.995 1.00 5.30 C ATOM 59 O PHE A 4 2.696 -5.404 3.408 1.00 5.58 O ATOM 60 CB PHE A 4 3.418 -8.491 3.948 1.00 4.83 C ATOM 61 CG PHE A 4 4.374 -9.649 3.737 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.864 -10.884 3.337 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.806 -9.490 3.824 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.739 -11.933 3.066 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.694 -10.542 3.557 1.00 10.61 C ATOM 66 CZ PHE A 4 6.147 -11.794 3.201 1.00 8.90 C ATOM 0 H PHE A 4 4.972 -6.551 2.802 1.00 4.55 H new ATOM 0 HA PHE A 4 2.660 -8.281 1.969 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.816 -7.846 4.731 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.468 -8.883 4.310 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.798 -11.026 3.238 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.207 -8.527 4.104 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.335 -12.881 2.743 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.763 -10.399 3.622 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.795 -12.641 3.032 1.00 8.90 H new ATOM 76 N VAL A 5 0.928 -6.638 2.709 1.00 4.44 N ATOM 77 CA VAL A 5 -0.118 -5.602 2.937 1.00 3.87 C ATOM 78 C VAL A 5 -1.242 -6.221 3.763 1.00 4.93 C ATOM 79 O VAL A 5 -1.780 -7.305 3.488 1.00 6.84 O ATOM 80 CB VAL A 5 -0.685 -4.998 1.663 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.831 -3.992 2.010 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.424 -4.152 0.971 1.00 9.13 C ATOM 0 H VAL A 5 0.561 -7.503 2.312 1.00 4.44 H new ATOM 0 HA VAL A 5 0.360 -4.777 3.465 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.047 -5.809 1.031 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.231 -3.565 1.090 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.625 -4.515 2.542 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.437 -3.194 2.639 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.029 -3.713 0.055 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.748 -3.358 1.643 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.273 -4.792 0.730 1.00 9.13 H new ATOM 92 N LYS A 6 -1.596 -5.579 4.881 1.00 6.04 N ATOM 93 CA LYS A 6 -2.241 -6.242 5.927 1.00 6.12 C ATOM 94 C LYS A 6 -3.516 -5.515 6.260 1.00 6.57 C ATOM 95 O LYS A 6 -3.495 -4.324 6.450 1.00 5.76 O ATOM 96 CB LYS A 6 -1.278 -6.216 7.076 1.00 7.45 C ATOM 97 CG LYS A 6 -1.756 -6.970 8.345 1.00 11.12 C ATOM 98 CD LYS A 6 -0.773 -6.902 9.544 1.00 14.54 C ATOM 99 CE LYS A 6 -1.480 -7.147 10.889 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.686 -6.446 11.935 1.00 20.55 N ATOM 0 H LYS A 6 -1.427 -4.587 5.049 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.511 -7.268 5.676 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.332 -6.648 6.749 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.079 -5.178 7.341 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.717 -6.559 8.656 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.924 -8.016 8.089 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.014 -7.644 9.409 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.291 -5.925 9.562 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.501 -6.768 10.862 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.542 -8.214 11.103 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.177 -6.516 12.849 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.253 -6.887 12.012 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.578 -5.445 11.676 1.00 20.55 H new ATOM 114 N THR A 7 -4.677 -6.218 6.165 1.00 7.41 N ATOM 115 CA THR A 7 -5.994 -5.642 6.380 1.00 7.48 C ATOM 116 C THR A 7 -6.343 -5.729 7.856 1.00 8.75 C ATOM 117 O THR A 7 -5.663 -6.369 8.648 1.00 8.58 O ATOM 118 CB THR A 7 -7.156 -6.233 5.609 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.334 -7.597 5.872 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.864 -6.023 4.126 1.00 9.17 C ATOM 0 H THR A 7 -4.704 -7.211 5.933 1.00 7.41 H new ATOM 0 HA THR A 7 -5.885 -4.626 6.001 1.00 7.48 H new ATOM 0 HB THR A 7 -8.078 -5.738 5.914 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.485 -8.069 5.741 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.680 -6.436 3.533 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.770 -4.957 3.921 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.933 -6.526 3.864 1.00 9.17 H new ATOM 128 N LEU A 8 -7.360 -4.963 8.361 1.00 9.84 N ATOM 129 CA LEU A 8 -7.949 -5.041 9.706 1.00 14.15 C ATOM 130 C LEU A 8 -8.413 -6.432 10.060 1.00 17.37 C ATOM 131 O LEU A 8 -8.413 -6.761 11.245 1.00 17.01 O ATOM 132 CB LEU A 8 -9.139 -4.020 9.842 1.00 16.63 C ATOM 133 CG LEU A 8 -8.879 -2.477 9.802 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.166 -1.729 9.509 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.192 -1.822 11.030 1.00 18.59 C ATOM 0 H LEU A 8 -7.804 -4.239 7.796 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.161 -4.779 10.412 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.848 -4.246 9.045 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.640 -4.236 10.785 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.145 -2.386 9.001 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.967 -0.658 9.485 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.560 -2.047 8.544 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.897 -1.945 10.288 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.079 -0.752 10.856 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.804 -1.983 11.918 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.210 -2.271 11.180 1.00 18.59 H new ATOM 147 N THR A 9 -8.963 -7.133 9.030 1.00 18.33 N ATOM 148 CA THR A 9 -9.820 -8.286 9.226 1.00 19.24 C ATOM 149 C THR A 9 -9.240 -9.637 8.988 1.00 19.48 C ATOM 150 O THR A 9 -9.960 -10.574 8.799 1.00 23.14 O ATOM 151 CB THR A 9 -11.127 -8.155 8.401 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.804 -7.736 7.078 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.025 -6.973 8.900 1.00 19.70 C ATOM 0 H THR A 9 -8.811 -6.897 8.049 1.00 18.33 H new ATOM 0 HA THR A 9 -9.999 -8.250 10.301 1.00 19.24 H new ATOM 0 HB THR A 9 -11.624 -9.122 8.479 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.626 -7.653 6.551 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.928 -6.921 8.292 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.298 -7.138 9.942 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.475 -6.036 8.813 1.00 19.70 H new ATOM 161 N GLY A 10 -7.887 -9.718 9.037 1.00 19.43 N ATOM 162 CA GLY A 10 -7.219 -10.939 9.173 1.00 18.74 C ATOM 163 C GLY A 10 -6.875 -11.565 7.866 1.00 17.62 C ATOM 164 O GLY A 10 -6.646 -12.790 7.717 1.00 19.74 O ATOM 0 H GLY A 10 -7.269 -8.908 8.979 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.305 -10.785 9.747 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.843 -11.626 9.745 1.00 18.74 H new ATOM 168 N LYS A 11 -6.749 -10.720 6.832 1.00 13.56 N ATOM 169 CA LYS A 11 -6.141 -11.057 5.511 1.00 11.91 C ATOM 170 C LYS A 11 -4.862 -10.279 5.311 1.00 10.18 C ATOM 171 O LYS A 11 -4.747 -9.149 5.648 1.00 9.10 O ATOM 172 CB LYS A 11 -7.131 -10.826 4.407 1.00 13.43 C ATOM 173 CG LYS A 11 -6.769 -11.499 3.151 1.00 16.69 C ATOM 174 CD LYS A 11 -7.879 -11.387 2.085 1.00 17.92 C ATOM 175 CE LYS A 11 -7.379 -12.230 0.923 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.478 -12.310 -0.094 1.00 21.93 N ATOM 0 H LYS A 11 -7.072 -9.754 6.880 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.881 -12.115 5.491 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.112 -11.176 4.729 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.218 -9.755 4.225 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.849 -11.064 2.761 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.565 -12.551 3.351 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.831 -11.758 2.463 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.037 -10.351 1.784 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.486 -11.785 0.485 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.103 -13.227 1.266 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.066 -12.371 -1.047 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.058 -13.154 0.087 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.074 -11.460 -0.029 1.00 21.93 H new ATOM 190 N THR A 12 -3.838 -11.003 4.833 1.00 9.63 N ATOM 191 CA THR A 12 -2.552 -10.524 4.524 1.00 9.85 C ATOM 192 C THR A 12 -2.205 -11.013 3.169 1.00 11.66 C ATOM 193 O THR A 12 -2.431 -12.174 2.813 1.00 12.33 O ATOM 194 CB THR A 12 -1.517 -10.852 5.556 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.909 -10.327 6.810 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.212 -10.096 5.191 1.00 9.63 C ATOM 0 H THR A 12 -3.930 -12.003 4.653 1.00 9.63 H new ATOM 0 HA THR A 12 -2.565 -9.434 4.531 1.00 9.85 H new ATOM 0 HB THR A 12 -1.389 -11.934 5.594 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.230 -10.545 7.483 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.557 -10.320 5.930 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.129 -10.413 4.205 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.404 -9.023 5.181 1.00 9.63 H new ATOM 204 N ILE A 13 -1.692 -10.111 2.358 1.00 10.42 N ATOM 205 CA ILE A 13 -1.477 -10.364 0.949 1.00 11.84 C ATOM 206 C ILE A 13 -0.078 -9.996 0.523 1.00 10.55 C ATOM 207 O ILE A 13 0.505 -8.973 0.866 1.00 11.92 O ATOM 208 CB ILE A 13 -2.502 -9.751 0.002 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.775 -8.245 0.197 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.778 -10.546 0.199 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.764 -7.635 -0.835 1.00 16.46 C ATOM 0 H ILE A 13 -1.411 -9.178 2.659 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.617 -11.441 0.858 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.103 -9.808 -1.011 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.171 -8.087 1.200 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.829 -7.706 0.139 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.556 -10.153 -0.456 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.595 -11.593 -0.042 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.101 -10.464 1.237 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.900 -6.574 -0.626 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.362 -7.758 -1.841 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.725 -8.145 -0.763 1.00 16.46 H new ATOM 223 N THR A 14 0.571 -10.838 -0.279 1.00 9.39 N ATOM 224 CA THR A 14 2.025 -10.729 -0.514 1.00 9.63 C ATOM 225 C THR A 14 2.333 -10.374 -1.966 1.00 11.20 C ATOM 226 O THR A 14 2.095 -11.206 -2.835 1.00 11.63 O ATOM 227 CB THR A 14 2.755 -12.041 -0.314 1.00 10.38 C ATOM 228 OG1 THR A 14 2.433 -12.716 0.866 1.00 16.30 O ATOM 229 CG2 THR A 14 4.243 -11.896 -0.421 1.00 11.66 C ATOM 0 H THR A 14 0.122 -11.605 -0.780 1.00 9.39 H new ATOM 0 HA THR A 14 2.349 -9.968 0.196 1.00 9.63 H new ATOM 0 HB THR A 14 2.395 -12.657 -1.138 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.934 -12.326 1.613 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.715 -12.867 -0.269 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.501 -11.517 -1.410 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.596 -11.198 0.338 1.00 11.66 H new ATOM 237 N LEU A 15 2.894 -9.201 -2.217 1.00 8.29 N ATOM 238 CA LEU A 15 3.071 -8.663 -3.538 1.00 9.03 C ATOM 239 C LEU A 15 4.552 -8.260 -3.780 1.00 8.59 C ATOM 240 O LEU A 15 5.285 -8.040 -2.824 1.00 7.79 O ATOM 241 CB LEU A 15 1.997 -7.553 -3.751 1.00 11.08 C ATOM 242 CG LEU A 15 2.175 -6.259 -2.912 1.00 15.79 C ATOM 243 CD1 LEU A 15 3.142 -5.226 -3.451 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.808 -5.723 -2.618 1.00 15.27 C ATOM 0 H LEU A 15 3.245 -8.588 -1.481 1.00 8.29 H new ATOM 0 HA LEU A 15 2.896 -9.405 -4.317 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.991 -7.279 -4.806 1.00 11.08 H new ATOM 0 HB3 LEU A 15 1.018 -7.976 -3.526 1.00 11.08 H new ATOM 0 HG LEU A 15 2.688 -6.531 -1.989 1.00 15.79 H new ATOM 0 HD11 LEU A 15 3.176 -4.372 -2.775 1.00 15.88 H new ATOM 0 HD12 LEU A 15 4.136 -5.665 -3.531 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.811 -4.896 -4.436 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.894 -4.811 -2.028 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.295 -5.503 -3.554 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.239 -6.465 -2.058 1.00 15.27 H new ATOM 256 N GLU A 16 4.967 -8.055 -5.054 1.00 11.04 N ATOM 257 CA GLU A 16 6.365 -7.826 -5.424 1.00 11.50 C ATOM 258 C GLU A 16 6.547 -6.551 -6.160 1.00 10.13 C ATOM 259 O GLU A 16 5.687 -6.169 -6.940 1.00 9.83 O ATOM 260 CB GLU A 16 6.999 -8.994 -6.239 1.00 17.22 C ATOM 261 CG GLU A 16 7.368 -10.246 -5.365 1.00 23.33 C ATOM 262 CD GLU A 16 8.001 -11.405 -6.162 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.172 -12.056 -6.839 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.258 -11.597 -6.145 1.00 28.90 O ATOM 0 H GLU A 16 4.329 -8.046 -5.850 1.00 11.04 H new ATOM 0 HA GLU A 16 6.893 -7.769 -4.472 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.303 -9.300 -7.020 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.898 -8.632 -6.737 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.060 -9.938 -4.581 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.467 -10.609 -4.870 1.00 23.33 H new ATOM 271 N VAL A 17 7.661 -5.865 -5.823 1.00 8.99 N ATOM 272 CA VAL A 17 7.935 -4.497 -6.122 1.00 8.85 C ATOM 273 C VAL A 17 9.419 -4.278 -6.283 1.00 8.04 C ATOM 274 O VAL A 17 10.249 -5.146 -5.978 1.00 8.99 O ATOM 275 CB VAL A 17 7.358 -3.511 -5.173 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.934 -3.756 -4.719 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.223 -3.450 -3.894 1.00 10.54 C ATOM 0 H VAL A 17 8.421 -6.305 -5.304 1.00 8.99 H new ATOM 0 HA VAL A 17 7.423 -4.307 -7.065 1.00 8.85 H new ATOM 0 HB VAL A 17 7.348 -2.585 -5.748 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.631 -2.968 -4.030 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.271 -3.756 -5.584 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.874 -4.721 -4.216 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.796 -2.725 -3.200 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.246 -4.433 -3.423 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.237 -3.149 -4.155 1.00 10.54 H new ATOM 287 N GLU A 18 9.766 -3.085 -6.764 1.00 7.29 N ATOM 288 CA GLU A 18 11.150 -2.630 -6.817 1.00 7.08 C ATOM 289 C GLU A 18 11.055 -1.281 -6.101 1.00 6.45 C ATOM 290 O GLU A 18 10.040 -0.581 -6.243 1.00 5.28 O ATOM 291 CB GLU A 18 11.674 -2.477 -8.305 1.00 10.28 C ATOM 292 CG GLU A 18 11.733 -3.842 -9.060 1.00 12.65 C ATOM 293 CD GLU A 18 12.756 -4.758 -8.389 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.850 -4.318 -7.975 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.517 -5.976 -8.423 1.00 18.17 O ATOM 0 H GLU A 18 9.094 -2.409 -7.127 1.00 7.29 H new ATOM 0 HA GLU A 18 11.859 -3.323 -6.365 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.022 -1.793 -8.848 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.667 -2.029 -8.293 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.750 -4.314 -9.056 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.004 -3.680 -10.103 1.00 12.65 H new ATOM 302 N PRO A 19 12.126 -0.897 -5.419 1.00 7.24 N ATOM 303 CA PRO A 19 12.012 0.199 -4.410 1.00 7.07 C ATOM 304 C PRO A 19 11.900 1.630 -4.862 1.00 6.65 C ATOM 305 O PRO A 19 11.675 2.521 -4.015 1.00 6.37 O ATOM 306 CB PRO A 19 13.221 0.087 -3.472 1.00 7.61 C ATOM 307 CG PRO A 19 14.301 -0.613 -4.371 1.00 8.16 C ATOM 308 CD PRO A 19 13.378 -1.614 -5.202 1.00 7.49 C ATOM 0 HA PRO A 19 11.036 0.021 -3.960 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.556 1.065 -3.126 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.990 -0.503 -2.585 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.829 0.093 -5.012 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.055 -1.135 -3.783 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.845 -1.884 -6.149 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.210 -2.541 -4.653 1.00 7.49 H new ATOM 316 N SER A 20 12.113 1.879 -6.161 1.00 6.80 N ATOM 317 CA SER A 20 11.966 3.218 -6.651 1.00 6.28 C ATOM 318 C SER A 20 10.620 3.418 -7.289 1.00 8.45 C ATOM 319 O SER A 20 10.236 4.540 -7.536 1.00 7.26 O ATOM 320 CB SER A 20 13.112 3.510 -7.657 1.00 8.57 C ATOM 321 OG SER A 20 13.080 2.523 -8.708 1.00 11.13 O ATOM 0 H SER A 20 12.379 1.182 -6.857 1.00 6.80 H new ATOM 0 HA SER A 20 12.029 3.917 -5.817 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.999 4.510 -8.076 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.075 3.486 -7.147 1.00 8.57 H new ATOM 0 HG SER A 20 13.800 2.703 -9.348 1.00 11.13 H new ATOM 327 N ASP A 21 9.775 2.335 -7.486 1.00 7.50 N ATOM 328 CA ASP A 21 8.396 2.462 -7.892 1.00 7.70 C ATOM 329 C ASP A 21 7.575 3.134 -6.862 1.00 7.08 C ATOM 330 O ASP A 21 7.840 3.216 -5.647 1.00 8.11 O ATOM 331 CB ASP A 21 7.844 1.057 -8.196 1.00 11.00 C ATOM 332 CG ASP A 21 8.309 0.653 -9.560 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.402 1.567 -10.448 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.534 -0.568 -9.813 1.00 14.36 O ATOM 0 H ASP A 21 10.073 1.368 -7.356 1.00 7.50 H new ATOM 0 HA ASP A 21 8.348 3.086 -8.784 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.192 0.343 -7.450 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.755 1.059 -8.152 1.00 11.00 H new ATOM 339 N THR A 22 6.541 3.924 -7.371 1.00 5.37 N ATOM 340 CA THR A 22 5.632 4.821 -6.708 1.00 6.01 C ATOM 341 C THR A 22 4.703 4.105 -5.815 1.00 8.01 C ATOM 342 O THR A 22 4.404 2.914 -5.999 1.00 8.11 O ATOM 343 CB THR A 22 4.846 5.694 -7.631 1.00 8.92 C ATOM 344 OG1 THR A 22 4.206 4.928 -8.654 1.00 10.22 O ATOM 345 CG2 THR A 22 5.765 6.676 -8.364 1.00 9.65 C ATOM 0 H THR A 22 6.347 3.907 -8.372 1.00 5.37 H new ATOM 0 HA THR A 22 6.282 5.471 -6.122 1.00 6.01 H new ATOM 0 HB THR A 22 4.115 6.211 -7.009 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.698 5.526 -9.241 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.171 7.302 -9.031 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.278 7.305 -7.637 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.500 6.121 -8.947 1.00 9.65 H new ATOM 353 N ILE A 23 4.125 4.765 -4.842 1.00 8.32 N ATOM 354 CA ILE A 23 3.010 4.222 -4.072 1.00 9.92 C ATOM 355 C ILE A 23 1.769 3.855 -4.994 1.00 10.01 C ATOM 356 O ILE A 23 1.109 2.894 -4.706 1.00 8.71 O ATOM 357 CB ILE A 23 2.517 5.258 -2.962 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.641 5.775 -2.063 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.309 4.728 -2.095 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.425 4.778 -1.231 1.00 12.30 C ATOM 0 H ILE A 23 4.409 5.701 -4.553 1.00 8.32 H new ATOM 0 HA ILE A 23 3.384 3.315 -3.598 1.00 9.92 H new ATOM 0 HB ILE A 23 2.152 6.106 -3.541 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.351 6.309 -2.695 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.209 6.507 -1.381 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.028 5.484 -1.362 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.459 4.519 -2.745 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.605 3.815 -1.579 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.183 5.304 -0.651 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.748 4.257 -0.554 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.908 4.055 -1.889 1.00 12.30 H new ATOM 372 N GLU A 24 1.541 4.596 -6.118 1.00 9.54 N ATOM 373 CA GLU A 24 0.459 4.441 -7.082 1.00 11.81 C ATOM 374 C GLU A 24 0.517 3.062 -7.737 1.00 11.14 C ATOM 375 O GLU A 24 -0.464 2.369 -7.786 1.00 10.62 O ATOM 376 CB GLU A 24 0.597 5.537 -8.194 1.00 19.24 C ATOM 377 CG GLU A 24 -0.543 5.516 -9.242 1.00 27.76 C ATOM 378 CD GLU A 24 -0.309 6.624 -10.259 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.593 6.400 -11.124 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.925 7.698 -10.219 1.00 36.51 O ATOM 0 H GLU A 24 2.162 5.364 -6.373 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.492 4.547 -6.560 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.624 6.519 -7.721 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.550 5.403 -8.706 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.576 4.548 -9.742 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.507 5.654 -8.751 1.00 27.76 H new ATOM 387 N ASN A 25 1.745 2.631 -8.142 1.00 9.43 N ATOM 388 CA ASN A 25 2.102 1.359 -8.643 1.00 10.96 C ATOM 389 C ASN A 25 1.783 0.195 -7.725 1.00 9.68 C ATOM 390 O ASN A 25 1.140 -0.756 -8.132 1.00 9.33 O ATOM 391 CB ASN A 25 3.584 1.454 -9.056 1.00 16.78 C ATOM 392 CG ASN A 25 4.044 0.109 -9.621 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.765 -0.580 -8.897 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.794 -0.239 -10.902 1.00 24.70 N ATOM 0 H ASN A 25 2.552 3.254 -8.105 1.00 9.43 H new ATOM 0 HA ASN A 25 1.481 1.117 -9.505 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.715 2.238 -9.802 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.195 1.727 -8.196 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.205 -1.088 -11.289 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.194 0.347 -11.482 1.00 24.70 H new ATOM 401 N VAL A 26 2.142 0.186 -6.401 1.00 6.52 N ATOM 402 CA VAL A 26 1.760 -0.845 -5.428 1.00 5.53 C ATOM 403 C VAL A 26 0.291 -1.032 -5.194 1.00 4.42 C ATOM 404 O VAL A 26 -0.238 -2.161 -5.226 1.00 3.40 O ATOM 405 CB VAL A 26 2.572 -0.536 -4.086 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.372 -1.676 -3.086 1.00 7.25 C ATOM 407 CG2 VAL A 26 4.048 -0.335 -4.500 1.00 8.12 C ATOM 0 H VAL A 26 2.718 0.921 -5.991 1.00 6.52 H new ATOM 0 HA VAL A 26 2.027 -1.815 -5.847 1.00 5.53 H new ATOM 0 HB VAL A 26 2.220 0.364 -3.581 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.927 -1.461 -2.173 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.312 -1.773 -2.852 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.734 -2.608 -3.520 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.648 -0.120 -3.616 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.418 -1.242 -4.978 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.120 0.499 -5.198 1.00 8.12 H new ATOM 417 N LYS A 27 -0.535 0.061 -5.061 1.00 2.64 N ATOM 418 CA LYS A 27 -1.911 -0.018 -4.816 1.00 4.14 C ATOM 419 C LYS A 27 -2.660 -0.608 -6.016 1.00 5.58 C ATOM 420 O LYS A 27 -3.686 -1.285 -5.833 1.00 4.11 O ATOM 421 CB LYS A 27 -2.573 1.374 -4.454 1.00 3.97 C ATOM 422 CG LYS A 27 -2.080 1.876 -3.066 1.00 7.45 C ATOM 423 CD LYS A 27 -2.873 3.093 -2.537 1.00 9.02 C ATOM 424 CE LYS A 27 -3.042 4.294 -3.499 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.806 5.339 -2.844 1.00 15.47 N ATOM 0 H LYS A 27 -0.194 1.020 -5.133 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.002 -0.673 -3.949 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.327 2.109 -5.220 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.658 1.274 -4.445 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.155 1.062 -2.346 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.025 2.142 -3.138 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.866 2.750 -2.246 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.381 3.450 -1.632 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.065 4.676 -3.796 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.549 3.975 -4.409 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.587 6.256 -3.283 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.822 5.141 -2.945 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.558 5.370 -1.835 1.00 15.47 H new ATOM 439 N ALA A 28 -2.050 -0.556 -7.212 1.00 6.61 N ATOM 440 CA ALA A 28 -2.532 -1.275 -8.386 1.00 7.74 C ATOM 441 C ALA A 28 -2.387 -2.860 -8.236 1.00 9.17 C ATOM 442 O ALA A 28 -3.232 -3.529 -8.791 1.00 11.45 O ATOM 443 CB ALA A 28 -1.800 -0.824 -9.664 1.00 7.68 C ATOM 0 H ALA A 28 -1.206 -0.010 -7.384 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.591 -1.032 -8.468 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.184 -1.380 -10.519 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.965 0.242 -9.821 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.732 -1.014 -9.558 1.00 7.68 H new ATOM 449 N LYS A 29 -1.305 -3.349 -7.586 1.00 8.96 N ATOM 450 CA LYS A 29 -1.145 -4.787 -7.230 1.00 7.90 C ATOM 451 C LYS A 29 -2.162 -5.213 -6.225 1.00 6.92 C ATOM 452 O LYS A 29 -2.768 -6.289 -6.365 1.00 6.87 O ATOM 453 CB LYS A 29 0.273 -4.891 -6.754 1.00 10.28 C ATOM 454 CG LYS A 29 1.289 -4.510 -7.927 1.00 14.94 C ATOM 455 CD LYS A 29 2.820 -4.563 -7.399 1.00 19.69 C ATOM 456 CE LYS A 29 3.920 -4.051 -8.290 1.00 22.63 C ATOM 457 NZ LYS A 29 4.312 -4.974 -9.342 1.00 24.98 N ATOM 0 H LYS A 29 -0.521 -2.766 -7.293 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.319 -5.465 -8.066 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.426 -4.227 -5.903 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.473 -5.905 -6.408 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.163 -5.199 -8.762 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.062 -3.512 -8.301 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.865 -4.002 -6.466 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.049 -5.601 -7.158 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.598 -3.115 -8.745 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.793 -3.824 -7.677 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.833 -4.458 -10.080 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.921 -5.717 -8.943 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.463 -5.408 -9.757 1.00 24.98 H new ATOM 471 N ILE A 30 -2.438 -4.410 -5.139 1.00 4.57 N ATOM 472 CA ILE A 30 -3.467 -4.637 -4.146 1.00 5.58 C ATOM 473 C ILE A 30 -4.874 -4.690 -4.796 1.00 7.26 C ATOM 474 O ILE A 30 -5.704 -5.506 -4.436 1.00 9.46 O ATOM 475 CB ILE A 30 -3.479 -3.519 -3.015 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.038 -3.470 -2.308 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.600 -3.707 -2.029 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.737 -2.229 -1.423 1.00 2.00 C ATOM 0 H ILE A 30 -1.907 -3.559 -4.956 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.230 -5.597 -3.688 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.673 -2.553 -3.481 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.931 -4.362 -1.691 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.276 -3.527 -3.085 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.561 -2.917 -1.279 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.555 -3.665 -2.552 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.496 -4.676 -1.541 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.735 -2.316 -1.004 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.800 -1.326 -2.030 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.465 -2.174 -0.614 1.00 2.00 H new ATOM 490 N GLN A 31 -5.153 -3.836 -5.807 1.00 7.06 N ATOM 491 CA GLN A 31 -6.339 -3.888 -6.668 1.00 8.67 C ATOM 492 C GLN A 31 -6.383 -5.195 -7.504 1.00 10.90 C ATOM 493 O GLN A 31 -7.396 -5.895 -7.594 1.00 9.63 O ATOM 494 CB GLN A 31 -6.277 -2.639 -7.653 1.00 9.12 C ATOM 495 CG GLN A 31 -7.693 -2.430 -8.387 1.00 10.76 C ATOM 496 CD GLN A 31 -7.537 -1.215 -9.337 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.500 -0.748 -9.861 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.729 -0.711 -9.761 1.00 14.76 N ATOM 0 H GLN A 31 -4.530 -3.065 -6.048 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.233 -3.864 -6.045 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.014 -1.741 -7.095 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.495 -2.793 -8.396 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.973 -3.323 -8.946 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.483 -2.250 -7.657 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.601 -1.060 -9.363 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.750 0.016 -10.476 1.00 14.76 H new ATOM 507 N ASP A 32 -5.252 -5.538 -8.096 1.00 10.93 N ATOM 508 CA ASP A 32 -5.216 -6.730 -8.884 1.00 14.01 C ATOM 509 C ASP A 32 -5.442 -8.060 -8.117 1.00 14.04 C ATOM 510 O ASP A 32 -6.102 -9.013 -8.587 1.00 13.39 O ATOM 511 CB ASP A 32 -3.847 -6.691 -9.671 1.00 18.01 C ATOM 512 CG ASP A 32 -3.726 -7.798 -10.745 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.568 -7.835 -11.656 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.775 -8.599 -10.711 1.00 26.29 O ATOM 0 H ASP A 32 -4.377 -5.017 -8.042 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.073 -6.732 -9.558 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.738 -5.717 -10.149 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.025 -6.791 -8.962 1.00 18.01 H new ATOM 519 N LYS A 33 -4.923 -8.099 -6.878 1.00 14.22 N ATOM 520 CA LYS A 33 -5.275 -9.033 -5.870 1.00 14.00 C ATOM 521 C LYS A 33 -6.744 -9.048 -5.494 1.00 12.37 C ATOM 522 O LYS A 33 -7.422 -10.047 -5.691 1.00 12.17 O ATOM 523 CB LYS A 33 -4.354 -8.935 -4.608 1.00 18.62 C ATOM 524 CG LYS A 33 -2.914 -9.359 -4.932 1.00 24.00 C ATOM 525 CD LYS A 33 -2.092 -9.832 -3.691 1.00 27.61 C ATOM 526 CE LYS A 33 -0.678 -10.453 -3.861 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.696 -11.870 -4.391 1.00 30.06 N ATOM 0 H LYS A 33 -4.214 -7.435 -6.567 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.095 -10.001 -6.338 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.358 -7.912 -4.231 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.752 -9.568 -3.815 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.941 -10.165 -5.665 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.397 -8.521 -5.399 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.986 -8.971 -3.031 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.702 -10.565 -3.164 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.096 -9.828 -4.538 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.167 -10.441 -2.898 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.279 -12.220 -4.479 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.225 -12.479 -3.735 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.155 -11.886 -5.324 1.00 30.06 H new ATOM 541 N GLU A 34 -7.329 -7.946 -4.888 1.00 10.11 N ATOM 542 CA GLU A 34 -8.524 -7.985 -4.097 1.00 10.07 C ATOM 543 C GLU A 34 -9.668 -7.098 -4.612 1.00 9.32 C ATOM 544 O GLU A 34 -10.712 -6.986 -3.943 1.00 11.61 O ATOM 545 CB GLU A 34 -8.179 -7.495 -2.717 1.00 14.77 C ATOM 546 CG GLU A 34 -7.263 -8.367 -1.853 1.00 18.75 C ATOM 547 CD GLU A 34 -7.893 -9.653 -1.525 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.842 -9.696 -0.676 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.527 -10.691 -2.053 1.00 25.19 O ATOM 0 H GLU A 34 -6.936 -7.008 -4.967 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.877 -9.016 -4.131 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.711 -6.516 -2.818 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.111 -7.348 -2.172 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.325 -8.544 -2.380 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.016 -7.837 -0.933 1.00 18.75 H new ATOM 556 N GLY A 35 -9.465 -6.388 -5.727 1.00 7.22 N ATOM 557 CA GLY A 35 -10.531 -5.654 -6.389 1.00 6.29 C ATOM 558 C GLY A 35 -10.720 -4.269 -5.897 1.00 6.93 C ATOM 559 O GLY A 35 -11.462 -3.426 -6.371 1.00 7.41 O ATOM 0 H GLY A 35 -8.559 -6.311 -6.189 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.323 -5.621 -7.458 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.465 -6.202 -6.263 1.00 6.29 H new ATOM 563 N ILE A 36 -9.992 -3.969 -4.790 1.00 5.86 N ATOM 564 CA ILE A 36 -10.094 -2.710 -4.027 1.00 6.07 C ATOM 565 C ILE A 36 -9.715 -1.421 -4.737 1.00 6.36 C ATOM 566 O ILE A 36 -8.588 -1.375 -5.225 1.00 6.18 O ATOM 567 CB ILE A 36 -9.440 -2.825 -2.634 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.813 -4.108 -1.839 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.034 -1.677 -1.805 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.164 -4.277 -0.468 1.00 9.49 C ATOM 0 H ILE A 36 -9.305 -4.614 -4.400 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.171 -2.595 -3.909 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.361 -2.822 -2.787 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.895 -4.125 -1.708 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.552 -4.974 -2.448 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.612 -1.698 -0.800 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.796 -0.725 -2.279 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.116 -1.792 -1.747 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.504 -5.209 -0.017 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.080 -4.302 -0.579 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.443 -3.440 0.172 1.00 9.49 H new ATOM 582 N PRO A 37 -10.536 -0.421 -4.845 1.00 8.65 N ATOM 583 CA PRO A 37 -10.154 0.885 -5.472 1.00 9.18 C ATOM 584 C PRO A 37 -8.880 1.570 -5.011 1.00 9.85 C ATOM 585 O PRO A 37 -8.883 1.777 -3.793 1.00 8.51 O ATOM 586 CB PRO A 37 -11.426 1.725 -5.369 1.00 11.42 C ATOM 587 CG PRO A 37 -12.522 0.656 -5.449 1.00 9.27 C ATOM 588 CD PRO A 37 -11.942 -0.501 -4.623 1.00 8.33 C ATOM 0 HA PRO A 37 -9.831 0.717 -6.499 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.470 2.285 -4.435 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.503 2.450 -6.180 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.465 1.014 -5.035 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.719 0.357 -6.479 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.185 -0.396 -3.566 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.342 -1.461 -4.948 1.00 8.33 H new ATOM 596 N PRO A 38 -7.842 1.996 -5.738 1.00 8.71 N ATOM 597 CA PRO A 38 -6.633 2.650 -5.198 1.00 9.08 C ATOM 598 C PRO A 38 -7.001 3.986 -4.549 1.00 9.28 C ATOM 599 O PRO A 38 -6.385 4.269 -3.573 1.00 6.50 O ATOM 600 CB PRO A 38 -5.663 2.783 -6.359 1.00 10.31 C ATOM 601 CG PRO A 38 -6.040 1.649 -7.257 1.00 10.81 C ATOM 602 CD PRO A 38 -7.537 1.373 -7.024 1.00 12.00 C ATOM 0 HA PRO A 38 -6.161 2.069 -4.406 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.767 3.745 -6.861 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.627 2.706 -6.028 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.852 1.903 -8.300 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.445 0.764 -7.032 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.145 1.798 -7.822 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.742 0.303 -7.002 1.00 12.00 H new ATOM 610 N ASP A 39 -8.046 4.670 -5.076 1.00 11.20 N ATOM 611 CA ASP A 39 -8.717 5.798 -4.430 1.00 14.96 C ATOM 612 C ASP A 39 -9.229 5.484 -3.053 1.00 13.99 C ATOM 613 O ASP A 39 -9.078 6.293 -2.093 1.00 13.75 O ATOM 614 CB ASP A 39 -9.870 6.340 -5.266 1.00 24.16 C ATOM 615 CG ASP A 39 -9.253 7.055 -6.457 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.641 6.400 -7.316 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.447 8.309 -6.564 1.00 34.22 O ATOM 0 H ASP A 39 -8.447 4.438 -5.985 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.940 6.557 -4.340 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.521 5.531 -5.596 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.484 7.024 -4.680 1.00 24.16 H new ATOM 622 N GLN A 40 -9.853 4.284 -2.822 1.00 11.60 N ATOM 623 CA GLN A 40 -10.378 3.918 -1.478 1.00 10.76 C ATOM 624 C GLN A 40 -9.362 3.267 -0.500 1.00 8.01 C ATOM 625 O GLN A 40 -9.565 3.341 0.706 1.00 8.96 O ATOM 626 CB GLN A 40 -11.583 2.964 -1.795 1.00 11.14 C ATOM 627 CG GLN A 40 -12.608 2.896 -0.565 1.00 14.85 C ATOM 628 CD GLN A 40 -13.529 1.673 -0.770 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.738 0.839 0.119 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.206 1.650 -1.960 1.00 18.16 N ATOM 0 H GLN A 40 -9.999 3.572 -3.538 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.654 4.819 -0.930 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.103 3.315 -2.686 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.210 1.964 -2.017 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.066 2.810 0.377 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.198 3.811 -0.511 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.009 2.353 -2.672 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.907 0.930 -2.134 1.00 18.16 H new ATOM 639 N GLN A 41 -8.292 2.667 -1.030 1.00 6.52 N ATOM 640 CA GLN A 41 -7.213 2.056 -0.256 1.00 3.87 C ATOM 641 C GLN A 41 -6.425 3.185 0.408 1.00 4.79 C ATOM 642 O GLN A 41 -5.985 4.068 -0.282 1.00 6.34 O ATOM 643 CB GLN A 41 -6.290 1.343 -1.212 1.00 4.20 C ATOM 644 CG GLN A 41 -6.683 -0.027 -1.837 1.00 3.20 C ATOM 645 CD GLN A 41 -5.673 -0.510 -2.855 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.451 -0.478 -2.566 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.104 -0.909 -4.086 1.00 7.13 N ATOM 0 H GLN A 41 -8.151 2.592 -2.037 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.609 1.361 0.485 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.097 2.027 -2.039 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.343 1.196 -0.692 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.780 -0.770 -1.045 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.660 0.061 -2.312 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.102 -0.926 -4.296 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.428 -1.190 -4.796 1.00 7.13 H new ATOM 656 N ARG A 42 -6.157 3.077 1.692 1.00 5.73 N ATOM 657 CA ARG A 42 -5.372 3.964 2.514 1.00 6.97 C ATOM 658 C ARG A 42 -4.309 3.146 3.261 1.00 7.15 C ATOM 659 O ARG A 42 -4.565 2.264 4.093 1.00 7.33 O ATOM 660 CB ARG A 42 -6.083 4.864 3.524 1.00 13.23 C ATOM 661 CG ARG A 42 -6.911 6.004 2.998 1.00 21.27 C ATOM 662 CD ARG A 42 -7.577 6.819 4.092 1.00 26.14 C ATOM 663 NE ARG A 42 -8.041 8.124 3.532 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.737 9.075 4.193 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.236 8.831 5.419 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.854 10.268 3.640 1.00 36.39 N ATOM 0 H ARG A 42 -6.518 2.292 2.234 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.972 4.669 1.786 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.732 4.234 4.133 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.327 5.281 4.189 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.276 6.660 2.402 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.678 5.609 2.331 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.422 6.269 4.507 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.876 6.991 4.909 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.810 8.315 2.557 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.090 7.922 5.857 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.760 9.556 5.910 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.424 10.455 2.734 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.374 11.003 4.119 1.00 36.39 H new ATOM 680 N LEU A 43 -3.034 3.277 2.811 1.00 4.65 N ATOM 681 CA LEU A 43 -1.904 2.550 3.433 1.00 3.51 C ATOM 682 C LEU A 43 -1.307 3.349 4.574 1.00 5.56 C ATOM 683 O LEU A 43 -1.028 4.542 4.466 1.00 4.19 O ATOM 684 CB LEU A 43 -0.794 2.256 2.401 1.00 3.74 C ATOM 685 CG LEU A 43 -0.988 1.184 1.343 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.253 1.212 0.388 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.228 -0.185 1.937 1.00 6.41 C ATOM 0 H LEU A 43 -2.768 3.874 2.028 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.301 1.609 3.814 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.586 3.190 1.878 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.105 1.996 2.961 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.892 1.400 0.773 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.137 0.449 -0.382 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.329 2.193 -0.081 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.158 1.013 0.962 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.360 -0.912 1.135 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.373 -0.471 2.549 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.125 -0.161 2.556 1.00 6.41 H new ATOM 699 N ILE A 44 -1.221 2.682 5.697 1.00 4.58 N ATOM 700 CA ILE A 44 -0.690 3.247 6.887 1.00 5.55 C ATOM 701 C ILE A 44 0.657 2.608 7.153 1.00 5.46 C ATOM 702 O ILE A 44 0.701 1.378 7.178 1.00 6.04 O ATOM 703 CB ILE A 44 -1.754 2.922 8.061 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.174 3.332 7.699 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.305 3.593 9.355 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.442 4.807 7.422 1.00 13.90 C ATOM 0 H ILE A 44 -1.527 1.714 5.800 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.540 4.325 6.820 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.777 1.841 8.198 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.470 2.767 6.815 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.830 3.020 8.512 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -2.022 3.374 10.146 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.323 3.214 9.640 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -1.248 4.671 9.205 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.495 4.946 7.178 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.194 5.394 8.306 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.829 5.137 6.583 1.00 13.90 H new ATOM 718 N PHE A 45 1.772 3.362 7.332 1.00 6.75 N ATOM 719 CA PHE A 45 3.092 2.765 7.571 1.00 4.70 C ATOM 720 C PHE A 45 3.922 3.825 8.359 1.00 6.34 C ATOM 721 O PHE A 45 3.957 5.041 8.034 1.00 5.45 O ATOM 722 CB PHE A 45 3.646 2.049 6.280 1.00 5.51 C ATOM 723 CG PHE A 45 5.101 1.672 6.445 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.044 2.672 6.261 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.436 0.360 6.801 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.460 2.316 6.384 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.769 0.019 6.943 1.00 6.68 C ATOM 728 CZ PHE A 45 7.809 0.981 6.687 1.00 6.84 C ATOM 0 H PHE A 45 1.773 4.382 7.314 1.00 6.75 H new ATOM 0 HA PHE A 45 3.113 1.895 8.227 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.057 1.155 6.076 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.534 2.708 5.419 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.743 3.684 6.034 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.663 -0.377 6.963 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.227 3.064 6.245 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.033 -0.982 7.250 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.847 0.685 6.726 1.00 6.84 H new ATOM 738 N ALA A 46 4.617 3.386 9.449 1.00 6.53 N ATOM 739 CA ALA A 46 5.475 4.184 10.239 1.00 7.15 C ATOM 740 C ALA A 46 4.910 5.567 10.729 1.00 9.00 C ATOM 741 O ALA A 46 5.544 6.606 10.762 1.00 11.15 O ATOM 742 CB ALA A 46 6.957 4.309 9.669 1.00 8.99 C ATOM 0 H ALA A 46 4.562 2.422 9.777 1.00 6.53 H new ATOM 0 HA ALA A 46 5.529 3.591 11.152 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.550 4.937 10.333 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.408 3.319 9.607 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.928 4.757 8.676 1.00 8.99 H new ATOM 748 N GLY A 47 3.635 5.525 11.155 1.00 9.35 N ATOM 749 CA GLY A 47 2.767 6.609 11.607 1.00 11.68 C ATOM 750 C GLY A 47 2.136 7.495 10.558 1.00 11.14 C ATOM 751 O GLY A 47 1.547 8.546 10.843 1.00 13.93 O ATOM 0 H GLY A 47 3.142 4.633 11.192 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.965 6.170 12.200 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.347 7.244 12.276 1.00 11.68 H new ATOM 755 N LYS A 48 2.272 7.134 9.263 1.00 10.47 N ATOM 756 CA LYS A 48 1.904 8.084 8.222 1.00 8.82 C ATOM 757 C LYS A 48 1.046 7.396 7.164 1.00 7.68 C ATOM 758 O LYS A 48 1.224 6.192 6.944 1.00 6.47 O ATOM 759 CB LYS A 48 3.183 8.463 7.399 1.00 9.74 C ATOM 760 CG LYS A 48 4.018 9.519 8.179 1.00 14.14 C ATOM 761 CD LYS A 48 5.414 9.630 7.557 1.00 16.32 C ATOM 762 CE LYS A 48 6.393 10.239 8.529 1.00 20.04 C ATOM 763 NZ LYS A 48 7.623 10.634 7.931 1.00 23.92 N ATOM 0 H LYS A 48 2.618 6.232 8.936 1.00 10.47 H new ATOM 0 HA LYS A 48 1.411 8.923 8.713 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.785 7.573 7.215 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.896 8.860 6.425 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.518 10.487 8.150 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.098 9.233 9.228 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.762 8.642 7.257 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.366 10.239 6.654 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.932 11.108 8.999 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.599 9.520 9.322 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.246 11.043 8.656 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.085 9.805 7.506 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.438 11.343 7.193 1.00 23.92 H new ATOM 777 N GLN A 49 0.083 8.040 6.460 1.00 8.89 N ATOM 778 CA GLN A 49 -0.727 7.545 5.384 1.00 7.18 C ATOM 779 C GLN A 49 0.081 7.838 4.089 1.00 8.23 C ATOM 780 O GLN A 49 0.598 8.961 3.838 1.00 9.70 O ATOM 781 CB GLN A 49 -2.067 8.342 5.378 1.00 11.67 C ATOM 782 CG GLN A 49 -3.052 7.804 4.271 1.00 15.82 C ATOM 783 CD GLN A 49 -4.354 8.618 4.397 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.935 8.766 5.456 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.848 9.113 3.243 1.00 20.67 N ATOM 0 H GLN A 49 -0.147 9.011 6.673 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.956 6.483 5.473 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.541 8.267 6.357 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.863 9.398 5.203 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.618 7.921 3.278 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.246 6.741 4.411 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.340 8.974 2.370 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.730 9.626 3.244 1.00 20.67 H new ATOM 794 N LEU A 50 0.353 6.793 3.322 1.00 6.51 N ATOM 795 CA LEU A 50 1.201 6.839 2.185 1.00 7.41 C ATOM 796 C LEU A 50 0.587 7.485 0.842 1.00 8.27 C ATOM 797 O LEU A 50 -0.463 7.099 0.437 1.00 8.34 O ATOM 798 CB LEU A 50 1.704 5.445 1.756 1.00 7.13 C ATOM 799 CG LEU A 50 2.280 4.753 2.987 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.879 3.422 2.499 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.444 5.533 3.685 1.00 9.11 C ATOM 0 H LEU A 50 -0.034 5.866 3.497 1.00 6.51 H new ATOM 0 HA LEU A 50 1.992 7.488 2.561 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.887 4.858 1.336 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.464 5.536 0.980 1.00 7.13 H new ATOM 0 HG LEU A 50 1.472 4.660 3.713 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.307 2.884 3.345 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.096 2.816 2.042 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.659 3.622 1.764 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.793 4.969 4.550 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.266 5.665 2.982 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.084 6.509 4.010 1.00 9.11 H new ATOM 813 N GLU A 51 1.241 8.555 0.247 1.00 9.43 N ATOM 814 CA GLU A 51 0.728 9.311 -0.853 1.00 11.90 C ATOM 815 C GLU A 51 1.254 8.889 -2.251 1.00 11.49 C ATOM 816 O GLU A 51 2.438 8.615 -2.460 1.00 9.88 O ATOM 817 CB GLU A 51 1.125 10.864 -0.729 1.00 16.56 C ATOM 818 CG GLU A 51 0.473 11.578 0.443 1.00 26.06 C ATOM 819 CD GLU A 51 0.275 13.050 0.293 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.569 13.654 -0.742 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.423 13.643 1.174 1.00 32.13 O ATOM 0 H GLU A 51 2.154 8.881 0.563 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.344 9.123 -0.791 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.208 10.945 -0.633 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.848 11.374 -1.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.499 11.119 0.626 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.080 11.403 1.331 1.00 26.06 H new ATOM 828 N ASP A 52 0.397 8.895 -3.214 1.00 12.71 N ATOM 829 CA ASP A 52 0.459 8.170 -4.514 1.00 16.56 C ATOM 830 C ASP A 52 1.657 8.539 -5.398 1.00 15.83 C ATOM 831 O ASP A 52 2.349 7.636 -5.888 1.00 17.21 O ATOM 832 CB ASP A 52 -0.789 8.519 -5.387 1.00 21.05 C ATOM 833 CG ASP A 52 -2.090 8.354 -4.596 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.378 9.171 -3.648 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.857 7.419 -4.864 1.00 25.82 O ATOM 0 H ASP A 52 -0.457 9.447 -3.141 1.00 12.71 H new ATOM 0 HA ASP A 52 0.524 7.121 -4.224 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.708 9.545 -5.746 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.812 7.874 -6.266 1.00 21.05 H new ATOM 840 N GLY A 53 1.912 9.850 -5.551 1.00 15.00 N ATOM 841 CA GLY A 53 3.072 10.250 -6.364 1.00 11.77 C ATOM 842 C GLY A 53 4.471 10.217 -5.671 1.00 11.10 C ATOM 843 O GLY A 53 5.390 10.592 -6.365 1.00 11.25 O ATOM 0 H GLY A 53 1.366 10.612 -5.148 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.112 9.601 -7.239 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.898 11.263 -6.727 1.00 11.77 H new ATOM 847 N ARG A 54 4.517 9.760 -4.399 1.00 8.53 N ATOM 848 CA ARG A 54 5.789 9.444 -3.805 1.00 9.05 C ATOM 849 C ARG A 54 6.201 7.977 -4.102 1.00 8.96 C ATOM 850 O ARG A 54 5.454 7.208 -4.718 1.00 11.60 O ATOM 851 CB ARG A 54 5.837 9.647 -2.316 1.00 7.97 C ATOM 852 CG ARG A 54 5.232 10.986 -1.810 1.00 9.62 C ATOM 853 CD ARG A 54 5.635 11.465 -0.405 1.00 12.20 C ATOM 854 NE ARG A 54 4.735 12.647 -0.039 1.00 18.23 N ATOM 855 CZ ARG A 54 4.478 13.005 1.247 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.192 12.508 2.229 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.495 13.847 1.402 1.00 23.38 N ATOM 0 H ARG A 54 3.705 9.613 -3.800 1.00 8.53 H new ATOM 0 HA ARG A 54 6.486 10.145 -4.264 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.308 8.824 -1.836 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.876 9.591 -1.991 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.502 11.767 -2.521 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.146 10.894 -1.835 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.522 10.659 0.321 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.683 11.763 -0.389 1.00 12.20 H new ATOM 0 HE ARG A 54 4.310 13.189 -0.791 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.945 11.849 2.030 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.994 12.780 3.192 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.982 14.187 0.589 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.239 14.165 2.337 1.00 23.38 H new ATOM 871 N THR A 55 7.406 7.571 -3.692 1.00 9.05 N ATOM 872 CA THR A 55 7.936 6.236 -3.919 1.00 9.03 C ATOM 873 C THR A 55 8.120 5.488 -2.565 1.00 8.15 C ATOM 874 O THR A 55 7.920 6.093 -1.500 1.00 5.91 O ATOM 875 CB THR A 55 9.275 6.138 -4.702 1.00 11.15 C ATOM 876 OG1 THR A 55 10.404 6.706 -4.070 1.00 11.95 O ATOM 877 CG2 THR A 55 9.083 6.944 -5.964 1.00 11.71 C ATOM 0 H THR A 55 8.048 8.178 -3.183 1.00 9.05 H new ATOM 0 HA THR A 55 7.182 5.777 -4.558 1.00 9.03 H new ATOM 0 HB THR A 55 9.477 5.074 -4.825 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.304 7.680 -4.035 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.996 6.912 -6.559 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.259 6.525 -6.542 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.855 7.978 -5.704 1.00 11.71 H new ATOM 885 N LEU A 56 8.359 4.108 -2.646 1.00 6.91 N ATOM 886 CA LEU A 56 8.679 3.228 -1.543 1.00 8.29 C ATOM 887 C LEU A 56 9.931 3.615 -0.818 1.00 8.05 C ATOM 888 O LEU A 56 10.058 3.694 0.424 1.00 10.17 O ATOM 889 CB LEU A 56 8.954 1.839 -2.174 1.00 6.60 C ATOM 890 CG LEU A 56 7.657 1.147 -2.806 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.232 0.203 -3.795 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.882 0.507 -1.721 1.00 8.64 C ATOM 0 H LEU A 56 8.320 3.611 -3.536 1.00 6.91 H new ATOM 0 HA LEU A 56 7.855 3.259 -0.830 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.711 1.947 -2.951 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.371 1.180 -1.412 1.00 6.60 H new ATOM 0 HG LEU A 56 6.948 1.817 -3.292 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.427 -0.334 -4.296 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.812 0.757 -4.532 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.880 -0.509 -3.284 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.995 0.032 -2.139 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.498 -0.245 -1.228 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.581 1.262 -0.995 1.00 8.64 H new ATOM 904 N SER A 57 10.962 3.928 -1.618 1.00 8.92 N ATOM 905 CA SER A 57 12.269 4.408 -1.125 1.00 9.00 C ATOM 906 C SER A 57 12.226 5.737 -0.419 1.00 9.44 C ATOM 907 O SER A 57 12.949 5.994 0.563 1.00 10.91 O ATOM 908 CB SER A 57 13.366 4.597 -2.236 1.00 10.32 C ATOM 909 OG SER A 57 14.601 4.937 -1.643 1.00 13.59 O ATOM 0 H SER A 57 10.915 3.856 -2.634 1.00 8.92 H new ATOM 0 HA SER A 57 12.527 3.598 -0.443 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.471 3.679 -2.814 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.060 5.378 -2.932 1.00 10.32 H new ATOM 0 HG SER A 57 15.279 5.051 -2.342 1.00 13.59 H new ATOM 915 N ASP A 58 11.293 6.641 -0.830 1.00 9.11 N ATOM 916 CA ASP A 58 10.935 7.873 -0.105 1.00 7.91 C ATOM 917 C ASP A 58 10.585 7.675 1.358 1.00 9.12 C ATOM 918 O ASP A 58 11.124 8.389 2.209 1.00 8.61 O ATOM 919 CB ASP A 58 9.886 8.741 -0.832 1.00 8.41 C ATOM 920 CG ASP A 58 10.472 9.255 -2.104 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.581 9.796 -2.020 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.841 9.117 -3.141 1.00 11.70 O ATOM 0 H ASP A 58 10.763 6.522 -1.694 1.00 9.11 H new ATOM 0 HA ASP A 58 11.867 8.438 -0.107 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.992 8.154 -1.041 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.580 9.572 -0.196 1.00 8.41 H new ATOM 927 N TYR A 59 9.706 6.670 1.677 1.00 7.97 N ATOM 928 CA TYR A 59 9.217 6.458 3.040 1.00 8.45 C ATOM 929 C TYR A 59 10.148 5.416 3.652 1.00 10.98 C ATOM 930 O TYR A 59 9.845 4.907 4.728 1.00 12.95 O ATOM 931 CB TYR A 59 7.738 5.891 3.010 1.00 7.94 C ATOM 932 CG TYR A 59 6.673 6.951 2.615 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.221 7.724 3.629 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.109 7.028 1.333 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.102 8.573 3.392 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.038 7.822 1.052 1.00 6.52 C ATOM 937 CZ TYR A 59 4.560 8.644 2.071 1.00 6.76 C ATOM 938 OH TYR A 59 3.611 9.646 1.838 1.00 7.63 O ATOM 0 H TYR A 59 9.336 6.008 0.995 1.00 7.97 H new ATOM 0 HA TYR A 59 9.206 7.387 3.609 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.690 5.061 2.306 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.492 5.490 3.993 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.698 7.698 4.597 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.540 6.436 0.539 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.671 9.152 4.195 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.576 7.815 0.076 1.00 6.52 H new ATOM 0 HH TYR A 59 3.639 10.299 2.568 1.00 7.63 H new ATOM 948 N ASN A 60 11.281 4.977 3.045 1.00 12.38 N ATOM 949 CA ASN A 60 12.168 3.973 3.605 1.00 13.94 C ATOM 950 C ASN A 60 11.581 2.570 3.741 1.00 14.16 C ATOM 951 O ASN A 60 12.017 1.829 4.561 1.00 14.26 O ATOM 952 CB ASN A 60 12.936 4.425 4.872 1.00 19.23 C ATOM 953 CG ASN A 60 13.761 5.644 4.476 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.310 6.759 4.812 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.753 5.479 3.562 1.00 24.09 N ATOM 0 H ASN A 60 11.592 5.328 2.139 1.00 12.38 H new ATOM 0 HA ASN A 60 12.919 3.876 2.821 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.243 4.672 5.676 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.579 3.626 5.240 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.170 6.293 3.110 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.080 4.542 3.328 1.00 24.09 H new ATOM 962 N ILE A 61 10.683 2.212 2.855 1.00 11.08 N ATOM 963 CA ILE A 61 10.106 0.889 2.783 1.00 11.78 C ATOM 964 C ILE A 61 11.051 -0.118 2.212 1.00 13.74 C ATOM 965 O ILE A 61 11.473 0.067 1.065 1.00 14.60 O ATOM 966 CB ILE A 61 8.798 0.862 2.118 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.759 1.667 2.933 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.247 -0.570 1.901 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.386 1.799 2.327 1.00 11.42 C ATOM 0 H ILE A 61 10.323 2.849 2.145 1.00 11.08 H new ATOM 0 HA ILE A 61 9.921 0.595 3.816 1.00 11.78 H new ATOM 0 HB ILE A 61 8.957 1.311 1.138 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.656 1.199 3.912 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.157 2.668 3.099 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.278 -0.516 1.405 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.941 -1.137 1.280 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.134 -1.066 2.865 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.750 2.384 2.991 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.461 2.301 1.362 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.953 0.808 2.188 1.00 11.42 H new ATOM 981 N GLN A 62 11.401 -1.205 2.917 1.00 13.97 N ATOM 982 CA GLN A 62 12.442 -2.152 2.494 1.00 15.52 C ATOM 983 C GLN A 62 11.907 -3.547 2.419 1.00 13.94 C ATOM 984 O GLN A 62 10.754 -3.896 2.656 1.00 12.15 O ATOM 985 CB GLN A 62 13.602 -2.061 3.534 1.00 19.53 C ATOM 986 CG GLN A 62 14.424 -0.742 3.324 1.00 26.38 C ATOM 987 CD GLN A 62 15.542 -0.828 4.403 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.143 -0.751 5.569 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.821 -0.988 4.128 1.00 32.71 N ATOM 0 H GLN A 62 10.965 -1.453 3.805 1.00 13.97 H new ATOM 0 HA GLN A 62 12.798 -1.898 1.496 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.195 -2.086 4.545 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.258 -2.926 3.433 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.841 -0.686 2.319 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.803 0.143 3.461 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.130 -1.049 3.158 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.502 -1.050 4.885 1.00 32.71 H new ATOM 998 N LYS A 63 12.805 -4.458 1.976 1.00 11.73 N ATOM 999 CA LYS A 63 12.419 -5.835 1.648 1.00 11.97 C ATOM 1000 C LYS A 63 11.686 -6.604 2.800 1.00 10.41 C ATOM 1001 O LYS A 63 12.101 -6.601 3.973 1.00 9.59 O ATOM 1002 CB LYS A 63 13.666 -6.639 1.165 1.00 13.73 C ATOM 1003 CG LYS A 63 14.609 -7.102 2.279 1.00 16.98 C ATOM 1004 CD LYS A 63 15.883 -7.680 1.670 1.00 20.19 C ATOM 1005 CE LYS A 63 16.733 -8.348 2.808 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.098 -8.837 2.440 1.00 25.97 N ATOM 0 H LYS A 63 13.796 -4.258 1.841 1.00 11.73 H new ATOM 0 HA LYS A 63 11.685 -5.752 0.847 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.324 -7.514 0.612 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.230 -6.021 0.466 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.855 -6.264 2.932 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.116 -7.853 2.896 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.635 -8.415 0.904 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.458 -6.893 1.182 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.839 -7.627 3.619 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.166 -9.191 3.203 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.554 -9.255 3.276 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.019 -9.556 1.692 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.671 -8.040 2.095 1.00 25.97 H new ATOM 1020 N GLU A 64 10.559 -7.242 2.411 1.00 10.04 N ATOM 1021 CA GLU A 64 9.863 -8.195 3.332 1.00 10.94 C ATOM 1022 C GLU A 64 9.092 -7.490 4.417 1.00 9.74 C ATOM 1023 O GLU A 64 8.695 -8.084 5.349 1.00 9.42 O ATOM 1024 CB GLU A 64 10.668 -9.417 3.741 1.00 18.31 C ATOM 1025 CG GLU A 64 11.323 -10.339 2.648 1.00 24.16 C ATOM 1026 CD GLU A 64 12.100 -11.551 3.100 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.997 -11.418 4.029 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.893 -12.685 2.600 1.00 31.72 O ATOM 0 H GLU A 64 10.117 -7.127 1.499 1.00 10.04 H new ATOM 0 HA GLU A 64 9.090 -8.676 2.733 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.469 -9.071 4.394 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.014 -10.047 4.345 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.529 -10.683 1.985 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.992 -9.720 2.050 1.00 24.16 H new ATOM 1035 N SER A 65 8.856 -6.184 4.250 1.00 6.85 N ATOM 1036 CA SER A 65 8.148 -5.292 5.182 1.00 6.90 C ATOM 1037 C SER A 65 6.647 -5.403 5.087 1.00 4.72 C ATOM 1038 O SER A 65 6.219 -5.924 4.021 1.00 3.91 O ATOM 1039 CB SER A 65 8.500 -3.806 4.955 1.00 7.28 C ATOM 1040 OG SER A 65 8.197 -2.988 6.061 1.00 10.56 O ATOM 0 H SER A 65 9.171 -5.691 3.414 1.00 6.85 H new ATOM 0 HA SER A 65 8.482 -5.622 6.166 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.563 -3.722 4.730 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.959 -3.441 4.082 1.00 7.28 H new ATOM 0 HG SER A 65 7.741 -2.177 5.753 1.00 10.56 H new ATOM 1046 N THR A 66 5.915 -5.126 6.190 1.00 4.48 N ATOM 1047 CA THR A 66 4.479 -5.268 6.251 1.00 3.80 C ATOM 1048 C THR A 66 3.923 -3.830 6.380 1.00 4.60 C ATOM 1049 O THR A 66 4.413 -3.051 7.245 1.00 5.33 O ATOM 1050 CB THR A 66 3.907 -6.065 7.438 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.431 -7.365 7.557 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.351 -6.192 7.255 1.00 3.40 C ATOM 0 H THR A 66 6.328 -4.795 7.062 1.00 4.48 H new ATOM 0 HA THR A 66 4.190 -5.827 5.361 1.00 3.80 H new ATOM 0 HB THR A 66 4.183 -5.518 8.339 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.026 -7.811 8.330 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.931 -6.755 8.089 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.906 -5.198 7.227 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.136 -6.712 6.322 1.00 3.40 H new ATOM 1060 N LEU A 67 2.921 -3.439 5.529 1.00 4.17 N ATOM 1061 CA LEU A 67 2.185 -2.158 5.396 1.00 3.85 C ATOM 1062 C LEU A 67 0.793 -2.409 5.877 1.00 3.80 C ATOM 1063 O LEU A 67 0.242 -3.435 5.587 1.00 5.54 O ATOM 1064 CB LEU A 67 2.165 -1.503 4.011 1.00 7.18 C ATOM 1065 CG LEU A 67 3.499 -1.609 3.226 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.459 -0.858 1.879 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.553 -0.915 4.048 1.00 11.66 C ATOM 0 H LEU A 67 2.575 -4.106 4.839 1.00 4.17 H new ATOM 0 HA LEU A 67 2.729 -1.426 5.993 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.373 -1.961 3.419 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.909 -0.450 4.126 1.00 7.18 H new ATOM 0 HG LEU A 67 3.692 -2.666 3.040 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.419 -0.966 1.373 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.670 -1.275 1.253 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.260 0.199 2.057 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.511 -0.967 3.530 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.274 0.129 4.191 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.638 -1.404 5.018 1.00 11.66 H new ATOM 1079 N HIS A 68 0.128 -1.489 6.603 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.254 -1.622 7.120 1.00 4.17 C ATOM 1081 C HIS A 68 -2.190 -1.024 6.122 1.00 5.32 C ATOM 1082 O HIS A 68 -1.835 -0.065 5.441 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.435 -1.096 8.597 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.878 -1.996 9.625 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.464 -2.045 9.957 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.436 -3.048 10.251 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.660 -3.056 10.801 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.459 -3.700 10.998 1.00 16.30 N ATOM 0 H HIS A 68 0.553 -0.597 6.857 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.500 -2.679 7.225 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.958 -0.120 8.686 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.497 -0.950 8.793 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.185 -1.411 9.612 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.474 -3.339 10.185 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.607 -3.307 11.256 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.359 -1.552 5.946 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.280 -1.074 4.905 1.00 3.97 C ATOM 1098 C LEU A 69 -5.587 -0.920 5.591 1.00 5.07 C ATOM 1099 O LEU A 69 -6.157 -1.825 6.215 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.448 -2.117 3.730 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.627 -2.015 2.754 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.731 -0.715 2.000 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.714 -3.188 1.762 1.00 9.96 C ATOM 0 H LEU A 69 -3.723 -2.324 6.505 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.904 -0.153 4.459 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.535 -2.080 3.135 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.492 -3.107 4.184 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.481 -2.060 3.430 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.597 -0.746 1.338 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.844 0.107 2.706 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.828 -0.564 1.409 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.572 -3.046 1.105 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.803 -3.228 1.165 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.829 -4.122 2.312 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.158 0.239 5.421 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.508 0.559 5.799 1.00 6.26 C ATOM 1117 C VAL A 70 -8.171 1.174 4.572 1.00 9.22 C ATOM 1118 O VAL A 70 -7.558 1.751 3.708 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.540 1.502 7.000 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.987 0.762 8.244 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.869 2.846 6.682 1.00 8.54 C ATOM 0 H VAL A 70 -5.671 1.027 4.994 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.048 -0.334 6.114 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.567 1.779 7.240 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.008 1.431 9.104 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.603 -0.113 8.450 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.961 0.447 8.054 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.911 3.490 7.560 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.828 2.677 6.406 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.391 3.326 5.854 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.505 1.131 4.564 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.349 1.587 3.503 1.00 16.06 C ATOM 1133 C LEU A 71 -11.073 2.904 3.896 1.00 18.09 C ATOM 1134 O LEU A 71 -11.600 3.005 5.006 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.376 0.495 3.033 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.724 -0.876 2.652 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.762 -1.911 2.076 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.515 -0.716 1.688 1.00 19.57 C ATOM 0 H LEU A 71 -10.036 0.753 5.349 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.700 1.790 2.651 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.104 0.330 3.828 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.925 0.875 2.172 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.347 -1.283 3.591 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.250 -2.841 1.830 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.533 -2.107 2.822 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.223 -1.502 1.177 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.101 -1.698 1.457 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.845 -0.235 0.767 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.750 -0.102 2.163 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.064 3.922 3.021 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.661 5.195 3.168 1.00 25.83 C ATOM 1152 C ARG A 72 -13.199 5.097 3.218 1.00 27.74 C ATOM 1153 O ARG A 72 -13.851 4.529 2.348 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.300 6.096 1.991 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.644 7.599 2.255 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.166 8.529 1.167 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.534 9.907 1.631 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.116 11.015 1.031 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.269 11.073 0.011 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.405 12.206 1.588 1.00 35.02 N ATOM 0 H ARG A 72 -10.588 3.834 2.123 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.285 5.609 4.104 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.235 6.003 1.780 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.832 5.756 1.102 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.724 7.703 2.361 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.200 7.904 3.203 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.090 8.439 1.018 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.641 8.296 0.214 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.136 9.997 2.449 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.880 10.214 -0.378 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.007 11.976 -0.384 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.937 12.247 2.457 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.092 13.068 1.141 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.798 5.640 4.261 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.304 5.666 4.507 1.00 30.76 C ATOM 1176 C LEU A 73 -15.964 6.492 3.412 1.00 32.18 C ATOM 1177 O LEU A 73 -15.329 7.271 2.711 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.650 6.168 5.987 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.929 5.469 7.107 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.159 6.059 8.476 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.463 4.063 7.105 1.00 29.11 C ATOM 0 H LEU A 73 -13.273 6.099 5.005 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.710 4.656 4.454 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.429 7.234 6.049 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.722 6.055 6.146 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.857 5.555 6.931 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.599 5.488 9.217 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.823 7.096 8.486 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.222 6.020 8.715 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.982 3.490 7.898 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.540 4.083 7.273 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.255 3.596 6.142 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.296 6.344 3.231 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.118 7.064 2.305 1.00 35.33 C ATOM 1195 C ARG A 74 -18.192 8.551 2.565 1.00 36.22 C ATOM 1196 O ARG A 74 -18.364 9.400 1.690 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.589 6.514 2.227 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.593 5.127 1.590 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.558 5.067 0.062 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.109 3.715 -0.377 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.224 3.289 -1.614 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.539 4.068 -2.646 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.993 1.987 -1.855 1.00 41.93 N ATOM 0 H ARG A 74 -17.834 5.669 3.775 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.610 6.902 1.354 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.022 6.466 3.226 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.210 7.193 1.643 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.733 4.576 1.971 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.485 4.600 1.930 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.547 5.282 -0.343 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.882 5.829 -0.326 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.693 3.092 0.315 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.708 5.063 -2.501 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -19.611 3.670 -3.582 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.737 1.364 -1.089 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -19.073 1.622 -2.804 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.882 8.944 3.825 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.686 10.310 4.179 1.00 36.07 C ATOM 1219 C GLY A 75 -16.358 10.573 4.713 1.00 36.16 C ATOM 1220 O GLY A 75 -15.713 9.692 5.272 1.00 36.26 O ATOM 0 H GLY A 75 -17.768 8.295 4.603 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.849 10.934 3.301 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.433 10.599 4.918 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.820 11.846 4.569 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.613 12.294 5.199 1.00 36.19 C ATOM 1226 C GLY A 76 -13.431 12.096 4.252 1.00 36.20 C ATOM 1227 O GLY A 76 -12.782 13.136 3.931 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.117 10.966 3.764 1.00 0.00 O ATOM 0 H GLY A 76 -16.259 12.563 3.992 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.702 13.346 5.469 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.447 11.740 6.123 1.00 36.19 H new TER 1232 GLY A 76