USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 33 LYS NZ :NH3+ -138:sc= -0.0715 (180deg=-0.342) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0341) USER MOD Set 2.1: A 36 MET CE :methyl -166:sc= -1.9 (180deg=-2.87) USER MOD Set 2.2: A 51 MET CE :methyl 163:sc= -0.0152 (180deg=-0.534) USER MOD Set 2.3: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 72 MET CE :methyl 180:sc= -0.015 (180deg=-0.015) USER MOD Set 2.5: A 75 LYS NZ :NH3+ -170:sc= 0.0696 (180deg=0.0519) USER MOD Set 3.1: A 5 THR OG1 : rot -112:sc= 1.98 USER MOD Set 3.2: A 8 GLN : amide:sc= 2 K(o=4,f=-1.2) USER MOD Single : A 1 ARG N :NH3+ 165:sc= 0.756 (180deg=0.699) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc=-0.00302 (180deg=-0.0596) USER MOD Single : A 10 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 21 THR OG1 : rot -17:sc= 1.02 USER MOD Single : A 24 SER OG : rot 114:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot -66:sc= 0.834 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0511) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 0.122 (180deg=-0.0241) USER MOD Single : A 53 SER OG : rot -54:sc= 1.29 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 60 SER OG : rot -2:sc= 0.516 USER MOD Single : A 62 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 70 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 73 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 76 MET CE :methyl -138:sc= -0.0184 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.784 18.895 -6.539 1.00 0.00 N ATOM 2 CA ARG A 1 15.432 19.223 -5.143 1.00 0.00 C ATOM 3 C ARG A 1 14.078 18.620 -4.769 1.00 0.00 C ATOM 4 O ARG A 1 14.027 17.581 -4.115 1.00 0.00 O ATOM 5 CB ARG A 1 15.481 20.736 -4.879 1.00 0.00 C ATOM 6 CG ARG A 1 16.928 21.237 -4.816 1.00 0.00 C ATOM 7 CD ARG A 1 16.977 22.746 -4.544 1.00 0.00 C ATOM 8 NE ARG A 1 18.354 23.202 -4.299 1.00 0.00 N ATOM 9 CZ ARG A 1 19.309 23.315 -5.233 1.00 0.00 C ATOM 10 NH1 ARG A 1 19.033 23.073 -6.517 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.548 23.665 -4.873 1.00 0.00 N ATOM 0 H1 ARG A 1 16.562 19.509 -6.854 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.082 17.900 -6.597 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.956 19.045 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 1 16.185 18.773 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.944 21.264 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.973 20.962 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 1 17.467 20.705 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 1 17.434 21.017 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 1 16.560 23.284 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 1 16.355 22.982 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 1 18.602 23.452 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 1 18.090 22.800 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 1 19.765 23.161 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.763 23.844 -3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.279 23.753 -5.579 1.00 0.00 H new ATOM 25 N VAL A 2 12.980 19.244 -5.203 1.00 0.00 N ATOM 26 CA VAL A 2 11.624 18.781 -4.927 1.00 0.00 C ATOM 27 C VAL A 2 11.287 17.599 -5.844 1.00 0.00 C ATOM 28 O VAL A 2 10.372 17.665 -6.663 1.00 0.00 O ATOM 29 CB VAL A 2 10.628 19.954 -5.045 1.00 0.00 C ATOM 30 CG1 VAL A 2 10.817 20.925 -3.872 1.00 0.00 C ATOM 31 CG2 VAL A 2 10.739 20.743 -6.360 1.00 0.00 C ATOM 0 H VAL A 2 13.012 20.096 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 2 11.548 18.417 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 2 9.637 19.499 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.110 21.749 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.642 20.400 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.834 21.317 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.005 21.549 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.741 21.163 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.550 20.076 -7.201 1.00 0.00 H new ATOM 41 N GLY A 3 12.070 16.520 -5.747 1.00 0.00 N ATOM 42 CA GLY A 3 12.029 15.408 -6.682 1.00 0.00 C ATOM 43 C GLY A 3 12.677 15.833 -8.001 1.00 0.00 C ATOM 44 O GLY A 3 13.691 15.278 -8.416 1.00 0.00 O ATOM 0 H GLY A 3 12.758 16.400 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.554 14.548 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.998 15.099 -6.853 1.00 0.00 H new ATOM 48 N LEU A 4 12.095 16.841 -8.650 1.00 0.00 N ATOM 49 CA LEU A 4 12.630 17.443 -9.856 1.00 0.00 C ATOM 50 C LEU A 4 13.991 18.086 -9.572 1.00 0.00 C ATOM 51 O LEU A 4 14.080 19.064 -8.827 1.00 0.00 O ATOM 52 CB LEU A 4 11.645 18.478 -10.401 1.00 0.00 C ATOM 53 CG LEU A 4 10.259 17.894 -10.717 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.380 19.039 -11.209 1.00 0.00 C ATOM 55 CD2 LEU A 4 10.310 16.821 -11.810 1.00 0.00 C ATOM 0 H LEU A 4 11.221 17.266 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 4 12.772 16.667 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.535 19.282 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.059 18.922 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 4 9.869 17.425 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.385 18.659 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.304 19.799 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.821 19.478 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.305 16.442 -11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.708 17.255 -12.727 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.953 16.002 -11.487 1.00 0.00 H new ATOM 67 N THR A 5 15.051 17.541 -10.172 1.00 0.00 N ATOM 68 CA THR A 5 16.367 18.158 -10.182 1.00 0.00 C ATOM 69 C THR A 5 16.324 19.400 -11.073 1.00 0.00 C ATOM 70 O THR A 5 15.378 19.594 -11.837 1.00 0.00 O ATOM 71 CB THR A 5 17.393 17.163 -10.744 1.00 0.00 C ATOM 72 OG1 THR A 5 17.091 16.912 -12.104 1.00 0.00 O ATOM 73 CG2 THR A 5 17.409 15.849 -9.957 1.00 0.00 C ATOM 0 H THR A 5 15.013 16.650 -10.668 1.00 0.00 H new ATOM 0 HA THR A 5 16.653 18.438 -9.168 1.00 0.00 H new ATOM 0 HB THR A 5 18.385 17.604 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.784 15.987 -12.205 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.149 15.175 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.666 16.051 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.424 15.385 -10.004 1.00 0.00 H new ATOM 81 N GLU A 6 17.383 20.211 -11.047 1.00 0.00 N ATOM 82 CA GLU A 6 17.540 21.290 -12.006 1.00 0.00 C ATOM 83 C GLU A 6 17.479 20.750 -13.435 1.00 0.00 C ATOM 84 O GLU A 6 16.976 21.423 -14.331 1.00 0.00 O ATOM 85 CB GLU A 6 18.864 22.035 -11.782 1.00 0.00 C ATOM 86 CG GLU A 6 19.001 22.637 -10.374 1.00 0.00 C ATOM 87 CD GLU A 6 19.793 21.756 -9.407 1.00 0.00 C ATOM 88 OE1 GLU A 6 19.540 20.531 -9.400 1.00 0.00 O ATOM 89 OE2 GLU A 6 20.620 22.334 -8.668 1.00 0.00 O ATOM 0 H GLU A 6 18.142 20.136 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 6 16.719 21.992 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.692 21.348 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.951 22.833 -12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.488 23.609 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.006 22.810 -9.963 1.00 0.00 H new ATOM 96 N GLU A 7 18.029 19.560 -13.678 1.00 0.00 N ATOM 97 CA GLU A 7 18.052 18.967 -15.007 1.00 0.00 C ATOM 98 C GLU A 7 16.635 18.577 -15.417 1.00 0.00 C ATOM 99 O GLU A 7 16.200 18.906 -16.518 1.00 0.00 O ATOM 100 CB GLU A 7 19.018 17.773 -15.042 1.00 0.00 C ATOM 101 CG GLU A 7 20.485 18.227 -15.120 1.00 0.00 C ATOM 102 CD GLU A 7 20.873 19.204 -14.012 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.721 18.813 -12.833 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.264 20.339 -14.364 1.00 0.00 O ATOM 0 H GLU A 7 18.469 18.985 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 7 18.419 19.695 -15.730 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.873 17.162 -14.151 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.786 17.143 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.133 17.352 -15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.662 18.696 -16.088 1.00 0.00 H new ATOM 111 N GLN A 8 15.888 17.924 -14.526 1.00 0.00 N ATOM 112 CA GLN A 8 14.485 17.653 -14.801 1.00 0.00 C ATOM 113 C GLN A 8 13.725 18.961 -15.047 1.00 0.00 C ATOM 114 O GLN A 8 12.939 19.037 -15.988 1.00 0.00 O ATOM 115 CB GLN A 8 13.864 16.804 -13.688 1.00 0.00 C ATOM 116 CG GLN A 8 14.052 15.297 -13.918 1.00 0.00 C ATOM 117 CD GLN A 8 15.513 14.868 -14.037 1.00 0.00 C ATOM 118 OE1 GLN A 8 16.161 14.580 -13.035 1.00 0.00 O ATOM 119 NE2 GLN A 8 16.052 14.816 -15.251 1.00 0.00 N ATOM 0 H GLN A 8 16.226 17.581 -13.627 1.00 0.00 H new ATOM 0 HA GLN A 8 14.409 17.065 -15.716 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.311 17.080 -12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.799 17.027 -13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.589 14.753 -13.094 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.524 15.009 -14.827 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.493 15.060 -16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.025 14.532 -15.365 1.00 0.00 H new ATOM 128 N LYS A 9 13.963 20.007 -14.249 1.00 0.00 N ATOM 129 CA LYS A 9 13.307 21.292 -14.467 1.00 0.00 C ATOM 130 C LYS A 9 13.653 21.864 -15.851 1.00 0.00 C ATOM 131 O LYS A 9 12.755 22.299 -16.573 1.00 0.00 O ATOM 132 CB LYS A 9 13.637 22.259 -13.322 1.00 0.00 C ATOM 133 CG LYS A 9 12.971 21.779 -12.023 1.00 0.00 C ATOM 134 CD LYS A 9 13.476 22.509 -10.772 1.00 0.00 C ATOM 135 CE LYS A 9 13.269 24.026 -10.828 1.00 0.00 C ATOM 136 NZ LYS A 9 11.855 24.386 -11.038 1.00 0.00 N ATOM 0 H LYS A 9 14.601 19.986 -13.453 1.00 0.00 H new ATOM 0 HA LYS A 9 12.227 21.144 -14.461 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.717 22.320 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.289 23.262 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.893 21.917 -12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.148 20.710 -11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.963 22.112 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.538 22.299 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.622 24.474 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.872 24.444 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.748 25.419 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.548 24.054 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.270 23.939 -10.303 1.00 0.00 H new ATOM 150 N GLN A 10 14.932 21.838 -16.243 1.00 0.00 N ATOM 151 CA GLN A 10 15.348 22.232 -17.588 1.00 0.00 C ATOM 152 C GLN A 10 14.568 21.436 -18.638 1.00 0.00 C ATOM 153 O GLN A 10 13.924 22.023 -19.505 1.00 0.00 O ATOM 154 CB GLN A 10 16.863 22.048 -17.763 1.00 0.00 C ATOM 155 CG GLN A 10 17.651 23.122 -17.004 1.00 0.00 C ATOM 156 CD GLN A 10 19.118 22.740 -16.836 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.959 23.053 -17.670 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.417 22.058 -15.737 1.00 0.00 N ATOM 0 H GLN A 10 15.700 21.545 -15.640 1.00 0.00 H new ATOM 0 HA GLN A 10 15.124 23.290 -17.728 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.154 21.061 -17.405 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.116 22.090 -18.822 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.582 24.069 -17.539 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.202 23.276 -16.023 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.684 21.819 -15.070 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.380 21.773 -15.560 1.00 0.00 H new ATOM 167 N GLU A 11 14.595 20.106 -18.546 1.00 0.00 N ATOM 168 CA GLU A 11 13.898 19.226 -19.476 1.00 0.00 C ATOM 169 C GLU A 11 12.409 19.588 -19.567 1.00 0.00 C ATOM 170 O GLU A 11 11.859 19.708 -20.660 1.00 0.00 O ATOM 171 CB GLU A 11 14.107 17.772 -19.033 1.00 0.00 C ATOM 172 CG GLU A 11 15.577 17.345 -19.199 1.00 0.00 C ATOM 173 CD GLU A 11 15.979 16.212 -18.257 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.066 15.504 -17.773 1.00 0.00 O ATOM 175 OE2 GLU A 11 17.197 16.079 -18.012 1.00 0.00 O ATOM 0 H GLU A 11 15.106 19.608 -17.817 1.00 0.00 H new ATOM 0 HA GLU A 11 14.309 19.351 -20.478 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.809 17.660 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.466 17.114 -19.620 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.744 17.030 -20.229 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.222 18.205 -19.020 1.00 0.00 H new ATOM 182 N ILE A 12 11.754 19.785 -18.421 1.00 0.00 N ATOM 183 CA ILE A 12 10.357 20.198 -18.358 1.00 0.00 C ATOM 184 C ILE A 12 10.168 21.545 -19.066 1.00 0.00 C ATOM 185 O ILE A 12 9.236 21.696 -19.853 1.00 0.00 O ATOM 186 CB ILE A 12 9.875 20.190 -16.892 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.763 18.725 -16.426 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.517 20.886 -16.716 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.576 18.588 -14.915 1.00 0.00 C ATOM 0 H ILE A 12 12.185 19.660 -17.505 1.00 0.00 H new ATOM 0 HA ILE A 12 9.728 19.487 -18.894 1.00 0.00 H new ATOM 0 HB ILE A 12 10.599 20.743 -16.293 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.923 18.252 -16.934 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.662 18.185 -16.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.224 20.852 -15.667 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.596 21.925 -17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.766 20.376 -17.319 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.504 17.533 -14.651 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.428 19.033 -14.401 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.662 19.100 -14.614 1.00 0.00 H new ATOM 201 N ARG A 13 11.037 22.527 -18.812 1.00 0.00 N ATOM 202 CA ARG A 13 10.955 23.817 -19.489 1.00 0.00 C ATOM 203 C ARG A 13 11.098 23.648 -21.006 1.00 0.00 C ATOM 204 O ARG A 13 10.316 24.218 -21.764 1.00 0.00 O ATOM 205 CB ARG A 13 11.986 24.793 -18.903 1.00 0.00 C ATOM 206 CG ARG A 13 11.936 26.191 -19.540 1.00 0.00 C ATOM 207 CD ARG A 13 10.609 26.912 -19.279 1.00 0.00 C ATOM 208 NE ARG A 13 10.622 28.262 -19.856 1.00 0.00 N ATOM 209 CZ ARG A 13 9.654 29.170 -19.673 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.614 28.896 -18.879 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.734 30.354 -20.290 1.00 0.00 N ATOM 0 H ARG A 13 11.803 22.450 -18.143 1.00 0.00 H new ATOM 0 HA ARG A 13 9.969 24.248 -19.316 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.819 24.885 -17.830 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.985 24.377 -19.036 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.756 26.794 -19.149 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.091 26.102 -20.615 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.788 26.337 -19.708 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.429 26.973 -18.206 1.00 0.00 H new ATOM 0 HE ARG A 13 11.420 28.526 -20.434 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.555 27.992 -18.409 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.879 29.591 -18.743 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.528 30.561 -20.895 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.001 31.050 -20.155 1.00 0.00 H new ATOM 225 N GLU A 14 12.075 22.858 -21.457 1.00 0.00 N ATOM 226 CA GLU A 14 12.272 22.565 -22.871 1.00 0.00 C ATOM 227 C GLU A 14 11.002 21.948 -23.469 1.00 0.00 C ATOM 228 O GLU A 14 10.497 22.423 -24.485 1.00 0.00 O ATOM 229 CB GLU A 14 13.487 21.645 -23.048 1.00 0.00 C ATOM 230 CG GLU A 14 14.798 22.363 -22.697 1.00 0.00 C ATOM 231 CD GLU A 14 15.961 21.379 -22.611 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.384 20.910 -23.690 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.398 21.104 -21.472 1.00 0.00 O ATOM 0 H GLU A 14 12.753 22.403 -20.845 1.00 0.00 H new ATOM 0 HA GLU A 14 12.470 23.492 -23.409 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.373 20.765 -22.415 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.530 21.292 -24.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.014 23.120 -23.451 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.687 22.883 -21.745 1.00 0.00 H new ATOM 240 N ALA A 15 10.475 20.898 -22.831 1.00 0.00 N ATOM 241 CA ALA A 15 9.241 20.252 -23.258 1.00 0.00 C ATOM 242 C ALA A 15 8.102 21.269 -23.349 1.00 0.00 C ATOM 243 O ALA A 15 7.412 21.341 -24.362 1.00 0.00 O ATOM 244 CB ALA A 15 8.891 19.108 -22.301 1.00 0.00 C ATOM 0 H ALA A 15 10.896 20.476 -22.004 1.00 0.00 H new ATOM 0 HA ALA A 15 9.387 19.833 -24.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.967 18.630 -22.627 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.698 18.375 -22.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.759 19.504 -21.294 1.00 0.00 H new ATOM 250 N PHE A 16 7.923 22.071 -22.294 1.00 0.00 N ATOM 251 CA PHE A 16 6.917 23.119 -22.245 1.00 0.00 C ATOM 252 C PHE A 16 7.044 24.032 -23.464 1.00 0.00 C ATOM 253 O PHE A 16 6.096 24.187 -24.231 1.00 0.00 O ATOM 254 CB PHE A 16 7.047 23.921 -20.942 1.00 0.00 C ATOM 255 CG PHE A 16 6.011 25.019 -20.801 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.696 24.682 -20.441 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.326 26.351 -21.133 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.698 25.668 -20.405 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.324 27.337 -21.107 1.00 0.00 C ATOM 260 CZ PHE A 16 4.010 26.996 -20.742 1.00 0.00 C ATOM 0 H PHE A 16 8.483 22.004 -21.444 1.00 0.00 H new ATOM 0 HA PHE A 16 5.928 22.661 -22.265 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.960 23.240 -20.095 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.042 24.363 -20.895 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.452 23.660 -20.191 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.337 26.615 -21.407 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.690 25.406 -20.118 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.564 28.357 -21.368 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.241 27.754 -20.721 1.00 0.00 H new ATOM 270 N ASP A 17 8.230 24.618 -23.642 1.00 0.00 N ATOM 271 CA ASP A 17 8.544 25.511 -24.746 1.00 0.00 C ATOM 272 C ASP A 17 8.198 24.861 -26.087 1.00 0.00 C ATOM 273 O ASP A 17 7.505 25.465 -26.900 1.00 0.00 O ATOM 274 CB ASP A 17 10.023 25.908 -24.680 1.00 0.00 C ATOM 275 CG ASP A 17 10.394 26.857 -25.814 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.779 26.340 -26.885 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.293 28.082 -25.584 1.00 0.00 O ATOM 0 H ASP A 17 9.013 24.478 -23.004 1.00 0.00 H new ATOM 0 HA ASP A 17 7.939 26.414 -24.660 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.231 26.384 -23.722 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.644 25.014 -24.733 1.00 0.00 H new ATOM 282 N LEU A 18 8.665 23.628 -26.310 1.00 0.00 N ATOM 283 CA LEU A 18 8.381 22.901 -27.539 1.00 0.00 C ATOM 284 C LEU A 18 6.875 22.770 -27.744 1.00 0.00 C ATOM 285 O LEU A 18 6.363 23.135 -28.800 1.00 0.00 O ATOM 286 CB LEU A 18 9.081 21.535 -27.525 1.00 0.00 C ATOM 287 CG LEU A 18 8.862 20.750 -28.834 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.091 19.891 -29.132 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.644 19.817 -28.778 1.00 0.00 C ATOM 0 H LEU A 18 9.245 23.115 -25.646 1.00 0.00 H new ATOM 0 HA LEU A 18 8.777 23.462 -28.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.150 21.679 -27.365 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.709 20.948 -26.685 1.00 0.00 H new ATOM 0 HG LEU A 18 8.690 21.494 -29.612 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.932 19.338 -30.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.966 20.532 -29.238 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.252 19.190 -28.313 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.543 19.293 -29.728 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.778 19.091 -27.976 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.745 20.404 -28.590 1.00 0.00 H new ATOM 301 N PHE A 19 6.163 22.227 -26.753 1.00 0.00 N ATOM 302 CA PHE A 19 4.726 22.024 -26.860 1.00 0.00 C ATOM 303 C PHE A 19 3.999 23.351 -27.084 1.00 0.00 C ATOM 304 O PHE A 19 3.005 23.392 -27.806 1.00 0.00 O ATOM 305 CB PHE A 19 4.187 21.312 -25.614 1.00 0.00 C ATOM 306 CG PHE A 19 4.697 19.904 -25.340 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.974 19.006 -26.391 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.739 19.442 -24.011 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.352 17.681 -26.113 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.078 18.105 -23.734 1.00 0.00 C ATOM 311 CZ PHE A 19 5.415 17.233 -24.782 1.00 0.00 C ATOM 0 H PHE A 19 6.565 21.921 -25.867 1.00 0.00 H new ATOM 0 HA PHE A 19 4.538 21.389 -27.726 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.418 21.929 -24.746 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.101 21.268 -25.694 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.895 19.338 -27.416 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.510 20.117 -23.200 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.594 17.007 -26.922 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.079 17.749 -22.714 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.722 16.220 -24.566 1.00 0.00 H new ATOM 321 N ASP A 20 4.504 24.443 -26.508 1.00 0.00 N ATOM 322 CA ASP A 20 4.023 25.798 -26.746 1.00 0.00 C ATOM 323 C ASP A 20 4.437 26.287 -28.146 1.00 0.00 C ATOM 324 O ASP A 20 4.977 27.379 -28.294 1.00 0.00 O ATOM 325 CB ASP A 20 4.569 26.700 -25.628 1.00 0.00 C ATOM 326 CG ASP A 20 3.933 28.082 -25.621 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.744 28.154 -25.248 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.644 29.058 -25.943 1.00 0.00 O ATOM 0 H ASP A 20 5.279 24.405 -25.846 1.00 0.00 H new ATOM 0 HA ASP A 20 2.934 25.827 -26.725 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.396 26.221 -24.664 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.648 26.802 -25.744 1.00 0.00 H new ATOM 333 N THR A 21 4.150 25.496 -29.186 1.00 0.00 N ATOM 334 CA THR A 21 4.522 25.768 -30.570 1.00 0.00 C ATOM 335 C THR A 21 4.067 27.161 -31.013 1.00 0.00 C ATOM 336 O THR A 21 4.767 27.840 -31.760 1.00 0.00 O ATOM 337 CB THR A 21 3.940 24.683 -31.493 1.00 0.00 C ATOM 338 OG1 THR A 21 2.533 24.601 -31.364 1.00 0.00 O ATOM 339 CG2 THR A 21 4.534 23.298 -31.222 1.00 0.00 C ATOM 0 H THR A 21 3.636 24.622 -29.079 1.00 0.00 H new ATOM 0 HA THR A 21 5.610 25.747 -30.640 1.00 0.00 H new ATOM 0 HB THR A 21 4.206 24.983 -32.506 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.254 25.042 -30.534 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.088 22.572 -31.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.612 23.327 -31.379 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.325 23.008 -30.192 1.00 0.00 H new ATOM 347 N ASP A 22 2.888 27.585 -30.547 1.00 0.00 N ATOM 348 CA ASP A 22 2.317 28.884 -30.867 1.00 0.00 C ATOM 349 C ASP A 22 3.159 30.049 -30.327 1.00 0.00 C ATOM 350 O ASP A 22 3.037 31.169 -30.816 1.00 0.00 O ATOM 351 CB ASP A 22 0.886 28.941 -30.321 1.00 0.00 C ATOM 352 CG ASP A 22 0.185 30.237 -30.713 1.00 0.00 C ATOM 353 OD1 ASP A 22 -0.217 30.326 -31.894 1.00 0.00 O ATOM 354 OD2 ASP A 22 0.051 31.110 -29.829 1.00 0.00 O ATOM 0 H ASP A 22 2.301 27.024 -29.930 1.00 0.00 H new ATOM 0 HA ASP A 22 2.309 28.997 -31.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.318 28.091 -30.699 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.907 28.853 -29.235 1.00 0.00 H new ATOM 359 N GLY A 23 3.991 29.814 -29.307 1.00 0.00 N ATOM 360 CA GLY A 23 4.765 30.866 -28.661 1.00 0.00 C ATOM 361 C GLY A 23 3.897 31.723 -27.737 1.00 0.00 C ATOM 362 O GLY A 23 4.252 32.855 -27.420 1.00 0.00 O ATOM 0 H GLY A 23 4.143 28.887 -28.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.577 30.420 -28.087 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.223 31.499 -29.421 1.00 0.00 H new ATOM 366 N SER A 24 2.768 31.179 -27.274 1.00 0.00 N ATOM 367 CA SER A 24 1.822 31.822 -26.381 1.00 0.00 C ATOM 368 C SER A 24 2.326 31.886 -24.936 1.00 0.00 C ATOM 369 O SER A 24 1.696 32.508 -24.083 1.00 0.00 O ATOM 370 CB SER A 24 0.534 31.001 -26.480 1.00 0.00 C ATOM 371 OG SER A 24 0.825 29.636 -26.743 1.00 0.00 O ATOM 0 H SER A 24 2.483 30.233 -27.528 1.00 0.00 H new ATOM 0 HA SER A 24 1.668 32.861 -26.673 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.028 31.085 -25.550 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.098 31.402 -27.272 1.00 0.00 H new ATOM 0 HG SER A 24 0.562 29.091 -25.972 1.00 0.00 H new ATOM 377 N GLY A 25 3.414 31.175 -24.637 1.00 0.00 N ATOM 378 CA GLY A 25 3.942 31.011 -23.287 1.00 0.00 C ATOM 379 C GLY A 25 2.949 30.290 -22.370 1.00 0.00 C ATOM 380 O GLY A 25 3.105 30.296 -21.151 1.00 0.00 O ATOM 0 H GLY A 25 3.963 30.687 -25.345 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.874 30.447 -23.328 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.179 31.989 -22.868 1.00 0.00 H new ATOM 384 N THR A 26 1.930 29.665 -22.961 1.00 0.00 N ATOM 385 CA THR A 26 0.802 29.044 -22.302 1.00 0.00 C ATOM 386 C THR A 26 0.308 27.991 -23.296 1.00 0.00 C ATOM 387 O THR A 26 -0.008 28.325 -24.438 1.00 0.00 O ATOM 388 CB THR A 26 -0.274 30.107 -22.001 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.424 31.016 -23.074 1.00 0.00 O ATOM 390 CG2 THR A 26 0.004 30.917 -20.733 1.00 0.00 C ATOM 0 H THR A 26 1.876 29.579 -23.976 1.00 0.00 H new ATOM 0 HA THR A 26 1.056 28.591 -21.344 1.00 0.00 H new ATOM 0 HB THR A 26 -1.190 29.535 -21.853 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.398 31.539 -23.177 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.793 31.645 -20.584 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.048 30.246 -19.875 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.956 31.438 -20.835 1.00 0.00 H new ATOM 398 N ILE A 27 0.295 26.717 -22.902 1.00 0.00 N ATOM 399 CA ILE A 27 -0.005 25.630 -23.823 1.00 0.00 C ATOM 400 C ILE A 27 -1.520 25.570 -24.013 1.00 0.00 C ATOM 401 O ILE A 27 -2.256 25.406 -23.040 1.00 0.00 O ATOM 402 CB ILE A 27 0.585 24.310 -23.299 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.118 24.401 -23.349 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.126 23.100 -24.125 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.783 23.184 -22.710 1.00 0.00 C ATOM 0 H ILE A 27 0.490 26.416 -21.947 1.00 0.00 H new ATOM 0 HA ILE A 27 0.455 25.803 -24.796 1.00 0.00 H new ATOM 0 HB ILE A 27 0.232 24.165 -22.278 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.443 24.489 -24.386 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.445 25.305 -22.835 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.569 22.192 -23.717 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.961 23.024 -24.086 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.444 23.225 -25.160 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.866 23.290 -22.767 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.480 23.110 -21.666 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.478 22.282 -23.241 1.00 0.00 H new ATOM 417 N ASP A 28 -1.989 25.693 -25.257 1.00 0.00 N ATOM 418 CA ASP A 28 -3.399 25.527 -25.576 1.00 0.00 C ATOM 419 C ASP A 28 -3.788 24.051 -25.463 1.00 0.00 C ATOM 420 O ASP A 28 -2.993 23.178 -25.804 1.00 0.00 O ATOM 421 CB ASP A 28 -3.673 26.072 -26.984 1.00 0.00 C ATOM 422 CG ASP A 28 -5.149 25.971 -27.357 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.549 24.873 -27.802 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.856 26.985 -27.178 1.00 0.00 O ATOM 0 H ASP A 28 -1.402 25.909 -26.063 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.008 26.089 -24.867 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.356 27.113 -27.038 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.077 25.519 -27.710 1.00 0.00 H new ATOM 429 N ALA A 29 -5.018 23.772 -25.021 1.00 0.00 N ATOM 430 CA ALA A 29 -5.606 22.435 -24.992 1.00 0.00 C ATOM 431 C ALA A 29 -5.208 21.577 -26.201 1.00 0.00 C ATOM 432 O ALA A 29 -4.787 20.436 -26.035 1.00 0.00 O ATOM 433 CB ALA A 29 -7.129 22.561 -24.899 1.00 0.00 C ATOM 0 H ALA A 29 -5.647 24.491 -24.664 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.215 21.920 -24.115 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.576 21.567 -24.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.395 23.099 -23.989 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.502 23.107 -25.765 1.00 0.00 H new ATOM 439 N LYS A 30 -5.316 22.122 -27.418 1.00 0.00 N ATOM 440 CA LYS A 30 -4.934 21.422 -28.639 1.00 0.00 C ATOM 441 C LYS A 30 -3.457 21.011 -28.601 1.00 0.00 C ATOM 442 O LYS A 30 -3.121 19.859 -28.872 1.00 0.00 O ATOM 443 CB LYS A 30 -5.224 22.311 -29.856 1.00 0.00 C ATOM 444 CG LYS A 30 -6.728 22.586 -30.003 1.00 0.00 C ATOM 445 CD LYS A 30 -7.049 23.433 -31.243 1.00 0.00 C ATOM 446 CE LYS A 30 -6.567 24.882 -31.100 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.996 25.703 -32.247 1.00 0.00 N ATOM 0 H LYS A 30 -5.672 23.064 -27.579 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.525 20.509 -28.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.688 23.255 -29.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.851 21.828 -30.759 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.264 21.639 -30.065 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.090 23.099 -29.112 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.582 22.982 -32.119 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.125 23.426 -31.416 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.959 25.309 -30.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.480 24.900 -31.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.656 26.678 -32.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.601 25.308 -33.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.034 25.704 -32.304 1.00 0.00 H new ATOM 461 N GLU A 31 -2.569 21.943 -28.249 1.00 0.00 N ATOM 462 CA GLU A 31 -1.147 21.658 -28.119 1.00 0.00 C ATOM 463 C GLU A 31 -0.927 20.576 -27.055 1.00 0.00 C ATOM 464 O GLU A 31 -0.133 19.658 -27.251 1.00 0.00 O ATOM 465 CB GLU A 31 -0.381 22.940 -27.770 1.00 0.00 C ATOM 466 CG GLU A 31 -0.406 23.992 -28.889 1.00 0.00 C ATOM 467 CD GLU A 31 0.300 25.276 -28.456 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.142 25.841 -27.431 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.260 25.671 -29.157 1.00 0.00 O ATOM 0 H GLU A 31 -2.818 22.911 -28.048 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.766 21.286 -29.070 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.807 23.373 -26.865 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.655 22.685 -27.545 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.077 23.591 -29.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.438 24.215 -29.159 1.00 0.00 H new ATOM 476 N LEU A 32 -1.639 20.666 -25.929 1.00 0.00 N ATOM 477 CA LEU A 32 -1.538 19.657 -24.880 1.00 0.00 C ATOM 478 C LEU A 32 -2.006 18.289 -25.401 1.00 0.00 C ATOM 479 O LEU A 32 -1.391 17.269 -25.103 1.00 0.00 O ATOM 480 CB LEU A 32 -2.315 20.090 -23.628 1.00 0.00 C ATOM 481 CG LEU A 32 -1.782 19.405 -22.354 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.507 20.080 -21.826 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.870 19.422 -21.273 1.00 0.00 C ATOM 0 H LEU A 32 -2.288 21.425 -25.724 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.492 19.558 -24.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.246 21.172 -23.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.371 19.849 -23.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.523 18.377 -22.609 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.167 19.564 -20.928 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.271 20.033 -22.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.719 21.122 -21.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.495 18.938 -20.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.141 20.453 -21.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.749 18.887 -21.633 1.00 0.00 H new ATOM 495 N LYS A 33 -3.084 18.250 -26.187 1.00 0.00 N ATOM 496 CA LYS A 33 -3.561 17.033 -26.827 1.00 0.00 C ATOM 497 C LYS A 33 -2.483 16.468 -27.755 1.00 0.00 C ATOM 498 O LYS A 33 -2.179 15.280 -27.683 1.00 0.00 O ATOM 499 CB LYS A 33 -4.893 17.308 -27.535 1.00 0.00 C ATOM 500 CG LYS A 33 -5.567 16.032 -28.057 1.00 0.00 C ATOM 501 CD LYS A 33 -6.819 16.410 -28.863 1.00 0.00 C ATOM 502 CE LYS A 33 -7.600 15.179 -29.341 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.269 14.482 -28.227 1.00 0.00 N ATOM 0 H LYS A 33 -3.652 19.071 -26.396 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.755 16.264 -26.079 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.568 17.813 -26.844 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.722 17.989 -28.368 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.873 15.471 -28.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.839 15.384 -27.224 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.469 17.033 -28.249 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.526 17.008 -29.726 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.344 15.485 -30.076 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.920 14.491 -29.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.160 13.454 -28.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.839 14.775 -27.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.280 14.724 -28.223 1.00 0.00 H new ATOM 517 N VAL A 34 -1.877 17.305 -28.603 1.00 0.00 N ATOM 518 CA VAL A 34 -0.748 16.888 -29.433 1.00 0.00 C ATOM 519 C VAL A 34 0.362 16.292 -28.557 1.00 0.00 C ATOM 520 O VAL A 34 0.857 15.201 -28.841 1.00 0.00 O ATOM 521 CB VAL A 34 -0.253 18.059 -30.305 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.081 17.735 -30.996 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.292 18.391 -31.384 1.00 0.00 C ATOM 0 H VAL A 34 -2.153 18.279 -28.731 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.073 16.104 -30.117 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.106 18.911 -29.641 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.394 18.586 -31.600 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.840 17.527 -30.242 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.956 16.862 -31.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.931 19.220 -31.994 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.452 17.518 -32.016 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.232 18.672 -30.910 1.00 0.00 H new ATOM 533 N ALA A 35 0.742 16.987 -27.481 1.00 0.00 N ATOM 534 CA ALA A 35 1.732 16.488 -26.536 1.00 0.00 C ATOM 535 C ALA A 35 1.339 15.100 -26.028 1.00 0.00 C ATOM 536 O ALA A 35 2.136 14.170 -26.082 1.00 0.00 O ATOM 537 CB ALA A 35 1.908 17.475 -25.379 1.00 0.00 C ATOM 0 H ALA A 35 0.371 17.907 -27.245 1.00 0.00 H new ATOM 0 HA ALA A 35 2.690 16.395 -27.048 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.651 17.089 -24.681 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.242 18.437 -25.769 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.957 17.603 -24.862 1.00 0.00 H new ATOM 543 N MET A 36 0.106 14.942 -25.551 1.00 0.00 N ATOM 544 CA MET A 36 -0.403 13.674 -25.054 1.00 0.00 C ATOM 545 C MET A 36 -0.362 12.581 -26.126 1.00 0.00 C ATOM 546 O MET A 36 0.047 11.458 -25.834 1.00 0.00 O ATOM 547 CB MET A 36 -1.782 13.891 -24.422 1.00 0.00 C ATOM 548 CG MET A 36 -1.577 14.473 -23.017 1.00 0.00 C ATOM 549 SD MET A 36 -3.070 14.772 -22.047 1.00 0.00 S ATOM 550 CE MET A 36 -3.773 16.134 -22.995 1.00 0.00 C ATOM 0 H MET A 36 -0.572 15.702 -25.500 1.00 0.00 H new ATOM 0 HA MET A 36 0.251 13.299 -24.267 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.377 14.570 -25.032 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.328 12.949 -24.368 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.935 13.794 -22.456 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.037 15.415 -23.113 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.561 16.613 -22.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.993 16.862 -23.218 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.190 15.752 -23.927 1.00 0.00 H new ATOM 560 N ARG A 37 -0.731 12.894 -27.369 1.00 0.00 N ATOM 561 CA ARG A 37 -0.566 11.955 -28.472 1.00 0.00 C ATOM 562 C ARG A 37 0.906 11.551 -28.601 1.00 0.00 C ATOM 563 O ARG A 37 1.216 10.363 -28.646 1.00 0.00 O ATOM 564 CB ARG A 37 -1.102 12.546 -29.786 1.00 0.00 C ATOM 565 CG ARG A 37 -2.615 12.825 -29.777 1.00 0.00 C ATOM 566 CD ARG A 37 -3.450 11.654 -30.313 1.00 0.00 C ATOM 567 NE ARG A 37 -3.377 10.477 -29.439 1.00 0.00 N ATOM 568 CZ ARG A 37 -3.762 9.240 -29.786 1.00 0.00 C ATOM 569 NH1 ARG A 37 -4.323 9.009 -30.979 1.00 0.00 N ATOM 570 NH2 ARG A 37 -3.582 8.235 -28.926 1.00 0.00 N ATOM 0 H ARG A 37 -1.144 13.788 -27.633 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.150 11.060 -28.258 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.573 13.476 -29.996 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.875 11.858 -30.601 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.930 13.051 -28.758 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.818 13.712 -30.377 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.489 11.967 -30.413 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.100 11.387 -31.310 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.006 10.610 -28.498 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.462 9.778 -31.635 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.612 8.064 -31.232 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.156 8.412 -28.016 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.871 7.290 -29.178 1.00 0.00 H new ATOM 584 N ALA A 38 1.824 12.523 -28.621 1.00 0.00 N ATOM 585 CA ALA A 38 3.258 12.247 -28.686 1.00 0.00 C ATOM 586 C ALA A 38 3.720 11.374 -27.511 1.00 0.00 C ATOM 587 O ALA A 38 4.533 10.471 -27.690 1.00 0.00 O ATOM 588 CB ALA A 38 4.047 13.557 -28.762 1.00 0.00 C ATOM 0 H ALA A 38 1.593 13.516 -28.593 1.00 0.00 H new ATOM 0 HA ALA A 38 3.455 11.678 -29.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.114 13.337 -28.810 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.750 14.109 -29.653 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.840 14.158 -27.877 1.00 0.00 H new ATOM 594 N LEU A 39 3.181 11.619 -26.312 1.00 0.00 N ATOM 595 CA LEU A 39 3.434 10.825 -25.113 1.00 0.00 C ATOM 596 C LEU A 39 2.747 9.449 -25.167 1.00 0.00 C ATOM 597 O LEU A 39 2.889 8.664 -24.234 1.00 0.00 O ATOM 598 CB LEU A 39 2.966 11.600 -23.868 1.00 0.00 C ATOM 599 CG LEU A 39 3.743 12.901 -23.590 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.924 13.815 -22.663 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.098 12.599 -22.938 1.00 0.00 C ATOM 0 H LEU A 39 2.541 12.396 -26.148 1.00 0.00 H new ATOM 0 HA LEU A 39 4.508 10.647 -25.058 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.909 11.841 -23.983 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.051 10.949 -22.998 1.00 0.00 H new ATOM 0 HG LEU A 39 3.915 13.403 -24.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.481 14.732 -22.472 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.975 14.059 -23.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.735 13.302 -21.720 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.628 13.533 -22.751 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.939 12.077 -21.994 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.691 11.972 -23.604 1.00 0.00 H new ATOM 613 N GLY A 40 1.993 9.141 -26.227 1.00 0.00 N ATOM 614 CA GLY A 40 1.325 7.860 -26.392 1.00 0.00 C ATOM 615 C GLY A 40 0.146 7.691 -25.434 1.00 0.00 C ATOM 616 O GLY A 40 -0.217 6.567 -25.095 1.00 0.00 O ATOM 0 H GLY A 40 1.832 9.787 -27.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.972 7.767 -27.419 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.042 7.055 -26.227 1.00 0.00 H new ATOM 620 N PHE A 41 -0.474 8.795 -25.010 1.00 0.00 N ATOM 621 CA PHE A 41 -1.699 8.753 -24.221 1.00 0.00 C ATOM 622 C PHE A 41 -2.876 8.533 -25.174 1.00 0.00 C ATOM 623 O PHE A 41 -2.755 8.763 -26.377 1.00 0.00 O ATOM 624 CB PHE A 41 -1.896 10.078 -23.465 1.00 0.00 C ATOM 625 CG PHE A 41 -1.024 10.365 -22.251 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.264 9.810 -22.103 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.498 11.269 -21.280 1.00 0.00 C ATOM 628 CE1 PHE A 41 1.071 10.173 -21.011 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.689 11.635 -20.190 1.00 0.00 C ATOM 630 CZ PHE A 41 0.600 11.091 -20.058 1.00 0.00 C ATOM 0 H PHE A 41 -0.139 9.738 -25.205 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.637 7.944 -23.493 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.748 10.890 -24.177 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.936 10.123 -23.142 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.632 9.103 -22.832 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.491 11.684 -21.374 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.057 9.745 -20.904 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.058 12.334 -19.454 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.226 11.378 -19.226 1.00 0.00 H new ATOM 640 N GLU A 42 -4.032 8.142 -24.630 1.00 0.00 N ATOM 641 CA GLU A 42 -5.301 8.088 -25.344 1.00 0.00 C ATOM 642 C GLU A 42 -6.159 9.264 -24.857 1.00 0.00 C ATOM 643 O GLU A 42 -6.832 9.129 -23.834 1.00 0.00 O ATOM 644 CB GLU A 42 -5.982 6.740 -25.069 1.00 0.00 C ATOM 645 CG GLU A 42 -5.135 5.566 -25.582 1.00 0.00 C ATOM 646 CD GLU A 42 -5.855 4.236 -25.386 1.00 0.00 C ATOM 647 OE1 GLU A 42 -5.927 3.796 -24.218 1.00 0.00 O ATOM 648 OE2 GLU A 42 -6.328 3.688 -26.405 1.00 0.00 O ATOM 0 H GLU A 42 -4.108 7.848 -23.656 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.157 8.170 -26.421 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.150 6.628 -23.998 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.961 6.721 -25.549 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.913 5.710 -26.640 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.181 5.546 -25.056 1.00 0.00 H new ATOM 655 N PRO A 43 -6.123 10.433 -25.520 1.00 0.00 N ATOM 656 CA PRO A 43 -6.737 11.640 -24.992 1.00 0.00 C ATOM 657 C PRO A 43 -8.264 11.623 -25.132 1.00 0.00 C ATOM 658 O PRO A 43 -8.838 12.319 -25.969 1.00 0.00 O ATOM 659 CB PRO A 43 -6.063 12.800 -25.725 1.00 0.00 C ATOM 660 CG PRO A 43 -5.706 12.185 -27.071 1.00 0.00 C ATOM 661 CD PRO A 43 -5.340 10.746 -26.704 1.00 0.00 C ATOM 0 HA PRO A 43 -6.585 11.735 -23.917 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.733 13.653 -25.835 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.179 13.155 -25.195 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.544 12.224 -27.767 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.873 12.705 -27.545 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.573 10.062 -27.520 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.273 10.652 -26.504 1.00 0.00 H new ATOM 669 N LYS A 44 -8.924 10.850 -24.268 1.00 0.00 N ATOM 670 CA LYS A 44 -10.368 10.784 -24.156 1.00 0.00 C ATOM 671 C LYS A 44 -10.930 12.155 -23.750 1.00 0.00 C ATOM 672 O LYS A 44 -10.929 12.510 -22.572 1.00 0.00 O ATOM 673 CB LYS A 44 -10.716 9.667 -23.161 1.00 0.00 C ATOM 674 CG LYS A 44 -12.213 9.350 -23.192 1.00 0.00 C ATOM 675 CD LYS A 44 -12.602 8.207 -22.243 1.00 0.00 C ATOM 676 CE LYS A 44 -12.040 6.852 -22.691 1.00 0.00 C ATOM 677 NZ LYS A 44 -12.533 5.760 -21.835 1.00 0.00 N ATOM 0 H LYS A 44 -8.446 10.236 -23.609 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.831 10.543 -25.113 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.146 8.770 -23.402 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.425 9.968 -22.155 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.774 10.245 -22.924 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.502 9.085 -24.209 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.240 8.433 -21.240 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.688 8.144 -22.183 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.324 6.662 -23.726 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.951 6.879 -22.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.136 4.856 -22.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.241 5.931 -20.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.571 5.721 -21.886 1.00 0.00 H new ATOM 691 N LYS A 45 -11.414 12.904 -24.747 1.00 0.00 N ATOM 692 CA LYS A 45 -11.900 14.280 -24.666 1.00 0.00 C ATOM 693 C LYS A 45 -12.545 14.632 -23.320 1.00 0.00 C ATOM 694 O LYS A 45 -12.115 15.576 -22.664 1.00 0.00 O ATOM 695 CB LYS A 45 -12.883 14.549 -25.815 1.00 0.00 C ATOM 696 CG LYS A 45 -12.203 14.503 -27.190 1.00 0.00 C ATOM 697 CD LYS A 45 -13.223 14.844 -28.285 1.00 0.00 C ATOM 698 CE LYS A 45 -12.613 14.746 -29.688 1.00 0.00 C ATOM 699 NZ LYS A 45 -11.544 15.739 -29.899 1.00 0.00 N ATOM 0 H LYS A 45 -11.480 12.536 -25.696 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.026 14.925 -24.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.684 13.811 -25.784 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.344 15.526 -25.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.374 15.210 -27.220 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.784 13.512 -27.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.074 14.167 -28.211 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.604 15.853 -28.125 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.211 13.744 -29.839 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.395 14.892 -30.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.452 15.940 -30.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.780 16.616 -29.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.644 15.363 -29.538 1.00 0.00 H new ATOM 713 N GLU A 46 -13.575 13.886 -22.913 1.00 0.00 N ATOM 714 CA GLU A 46 -14.294 14.127 -21.665 1.00 0.00 C ATOM 715 C GLU A 46 -13.327 14.223 -20.478 1.00 0.00 C ATOM 716 O GLU A 46 -13.383 15.160 -19.683 1.00 0.00 O ATOM 717 CB GLU A 46 -15.314 13.003 -21.434 1.00 0.00 C ATOM 718 CG GLU A 46 -16.390 12.954 -22.530 1.00 0.00 C ATOM 719 CD GLU A 46 -17.361 11.802 -22.294 1.00 0.00 C ATOM 720 OE1 GLU A 46 -16.958 10.657 -22.597 1.00 0.00 O ATOM 721 OE2 GLU A 46 -18.479 12.084 -21.811 1.00 0.00 O ATOM 0 H GLU A 46 -13.934 13.093 -23.445 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.817 15.080 -21.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.794 12.046 -21.396 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.793 13.144 -20.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.937 13.897 -22.550 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.916 12.840 -23.505 1.00 0.00 H new ATOM 728 N GLU A 47 -12.433 13.239 -20.366 1.00 0.00 N ATOM 729 CA GLU A 47 -11.475 13.164 -19.280 1.00 0.00 C ATOM 730 C GLU A 47 -10.430 14.263 -19.442 1.00 0.00 C ATOM 731 O GLU A 47 -10.057 14.911 -18.470 1.00 0.00 O ATOM 732 CB GLU A 47 -10.834 11.769 -19.237 1.00 0.00 C ATOM 733 CG GLU A 47 -11.879 10.643 -19.266 1.00 0.00 C ATOM 734 CD GLU A 47 -12.970 10.834 -18.216 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.619 10.785 -17.019 1.00 0.00 O ATOM 736 OE2 GLU A 47 -14.130 11.046 -18.633 1.00 0.00 O ATOM 0 H GLU A 47 -12.359 12.471 -21.034 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.983 13.320 -18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.159 11.656 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.230 11.677 -18.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.334 10.599 -20.255 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.383 9.687 -19.101 1.00 0.00 H new ATOM 743 N ILE A 48 -9.974 14.483 -20.675 1.00 0.00 N ATOM 744 CA ILE A 48 -8.998 15.516 -20.990 1.00 0.00 C ATOM 745 C ILE A 48 -9.496 16.894 -20.548 1.00 0.00 C ATOM 746 O ILE A 48 -8.746 17.637 -19.925 1.00 0.00 O ATOM 747 CB ILE A 48 -8.659 15.452 -22.488 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.928 14.140 -22.811 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.853 16.666 -22.971 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.448 14.155 -22.419 1.00 0.00 C ATOM 0 H ILE A 48 -10.276 13.944 -21.486 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.078 15.339 -20.433 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.603 15.478 -23.032 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.425 13.319 -22.294 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.011 13.940 -23.879 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.644 16.564 -24.036 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.428 17.576 -22.800 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.914 16.721 -22.421 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.994 13.198 -22.675 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.937 14.954 -22.956 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.358 14.324 -21.346 1.00 0.00 H new ATOM 762 N LYS A 49 -10.747 17.243 -20.855 1.00 0.00 N ATOM 763 CA LYS A 49 -11.333 18.510 -20.433 1.00 0.00 C ATOM 764 C LYS A 49 -11.239 18.662 -18.911 1.00 0.00 C ATOM 765 O LYS A 49 -10.750 19.675 -18.410 1.00 0.00 O ATOM 766 CB LYS A 49 -12.788 18.595 -20.914 1.00 0.00 C ATOM 767 CG LYS A 49 -12.860 18.795 -22.433 1.00 0.00 C ATOM 768 CD LYS A 49 -14.309 18.645 -22.912 1.00 0.00 C ATOM 769 CE LYS A 49 -14.426 18.780 -24.434 1.00 0.00 C ATOM 770 NZ LYS A 49 -14.051 20.128 -24.900 1.00 0.00 N ATOM 0 H LYS A 49 -11.377 16.656 -21.401 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.775 19.332 -20.882 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.318 17.683 -20.639 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.292 19.421 -20.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.481 19.782 -22.697 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.225 18.065 -22.935 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.694 17.673 -22.603 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.930 19.401 -22.432 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.786 18.040 -24.914 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.449 18.563 -24.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.241 20.208 -25.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.609 20.840 -24.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.039 20.288 -24.723 1.00 0.00 H new ATOM 784 N LYS A 50 -11.697 17.649 -18.170 1.00 0.00 N ATOM 785 CA LYS A 50 -11.638 17.679 -16.716 1.00 0.00 C ATOM 786 C LYS A 50 -10.191 17.821 -16.236 1.00 0.00 C ATOM 787 O LYS A 50 -9.897 18.721 -15.453 1.00 0.00 O ATOM 788 CB LYS A 50 -12.303 16.424 -16.134 1.00 0.00 C ATOM 789 CG LYS A 50 -13.810 16.410 -16.421 1.00 0.00 C ATOM 790 CD LYS A 50 -14.565 15.274 -15.711 1.00 0.00 C ATOM 791 CE LYS A 50 -14.230 13.870 -16.235 1.00 0.00 C ATOM 792 NZ LYS A 50 -13.030 13.295 -15.597 1.00 0.00 N ATOM 0 H LYS A 50 -12.111 16.801 -18.558 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.188 18.549 -16.358 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.841 15.534 -16.560 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.135 16.386 -15.058 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.238 17.365 -16.115 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.965 16.321 -17.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.341 15.315 -14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.637 15.443 -15.818 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.080 13.210 -16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.076 13.916 -17.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.132 12.262 -15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.190 13.526 -16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.921 13.691 -14.641 1.00 0.00 H new ATOM 806 N MET A 51 -9.283 16.971 -16.722 1.00 0.00 N ATOM 807 CA MET A 51 -7.870 17.035 -16.397 1.00 0.00 C ATOM 808 C MET A 51 -7.351 18.462 -16.598 1.00 0.00 C ATOM 809 O MET A 51 -6.825 19.070 -15.669 1.00 0.00 O ATOM 810 CB MET A 51 -7.112 16.030 -17.274 1.00 0.00 C ATOM 811 CG MET A 51 -5.660 15.877 -16.818 1.00 0.00 C ATOM 812 SD MET A 51 -4.486 15.307 -18.075 1.00 0.00 S ATOM 813 CE MET A 51 -4.463 16.749 -19.166 1.00 0.00 C ATOM 0 H MET A 51 -9.520 16.211 -17.360 1.00 0.00 H new ATOM 0 HA MET A 51 -7.711 16.773 -15.351 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.611 15.062 -17.235 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.136 16.360 -18.313 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.316 16.839 -16.439 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.635 15.178 -15.982 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.587 16.702 -19.813 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.366 16.757 -19.777 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.422 17.658 -18.566 1.00 0.00 H new ATOM 823 N ILE A 52 -7.513 19.001 -17.808 1.00 0.00 N ATOM 824 CA ILE A 52 -7.116 20.361 -18.142 1.00 0.00 C ATOM 825 C ILE A 52 -7.686 21.329 -17.107 1.00 0.00 C ATOM 826 O ILE A 52 -6.941 22.145 -16.574 1.00 0.00 O ATOM 827 CB ILE A 52 -7.533 20.706 -19.588 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.586 19.980 -20.566 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.526 22.223 -19.854 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.038 20.081 -22.025 1.00 0.00 C ATOM 0 H ILE A 52 -7.929 18.495 -18.590 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.030 20.452 -18.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.559 20.370 -19.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.585 20.400 -20.472 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.519 18.929 -20.285 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.826 22.413 -20.884 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.224 22.714 -19.176 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.523 22.617 -19.690 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.331 19.551 -22.663 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.027 19.635 -22.131 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.079 21.129 -22.322 1.00 0.00 H new ATOM 842 N SER A 53 -8.986 21.245 -16.803 1.00 0.00 N ATOM 843 CA SER A 53 -9.596 22.160 -15.847 1.00 0.00 C ATOM 844 C SER A 53 -8.909 22.073 -14.480 1.00 0.00 C ATOM 845 O SER A 53 -8.548 23.096 -13.901 1.00 0.00 O ATOM 846 CB SER A 53 -11.121 21.943 -15.785 1.00 0.00 C ATOM 847 OG SER A 53 -11.492 20.886 -14.928 1.00 0.00 O ATOM 0 H SER A 53 -9.626 20.559 -17.203 1.00 0.00 H new ATOM 0 HA SER A 53 -9.444 23.184 -16.190 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.600 22.862 -15.448 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.495 21.738 -16.788 1.00 0.00 H new ATOM 0 HG SER A 53 -11.007 20.073 -15.182 1.00 0.00 H new ATOM 853 N GLU A 54 -8.689 20.850 -13.987 1.00 0.00 N ATOM 854 CA GLU A 54 -8.041 20.601 -12.709 1.00 0.00 C ATOM 855 C GLU A 54 -6.621 21.170 -12.697 1.00 0.00 C ATOM 856 O GLU A 54 -6.205 21.767 -11.709 1.00 0.00 O ATOM 857 CB GLU A 54 -8.036 19.097 -12.413 1.00 0.00 C ATOM 858 CG GLU A 54 -9.452 18.571 -12.140 1.00 0.00 C ATOM 859 CD GLU A 54 -9.461 17.049 -12.058 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.059 16.539 -10.989 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.857 16.425 -13.066 1.00 0.00 O ATOM 0 H GLU A 54 -8.962 19.998 -14.476 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.603 21.108 -11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.604 18.561 -13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.400 18.897 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.827 18.992 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.125 18.900 -12.931 1.00 0.00 H new ATOM 868 N ILE A 55 -5.865 20.973 -13.781 1.00 0.00 N ATOM 869 CA ILE A 55 -4.505 21.485 -13.884 1.00 0.00 C ATOM 870 C ILE A 55 -4.509 23.009 -14.048 1.00 0.00 C ATOM 871 O ILE A 55 -3.599 23.679 -13.558 1.00 0.00 O ATOM 872 CB ILE A 55 -3.752 20.773 -15.025 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.624 19.253 -14.797 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.358 21.379 -15.252 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.908 18.846 -13.504 1.00 0.00 C ATOM 0 H ILE A 55 -6.180 20.458 -14.603 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.971 21.269 -12.958 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.357 20.929 -15.918 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.623 18.817 -14.793 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.090 18.819 -15.642 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.859 20.850 -16.064 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.457 22.433 -15.512 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.767 21.285 -14.341 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.869 17.759 -13.436 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.894 19.246 -13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.451 19.244 -12.647 1.00 0.00 H new ATOM 887 N ASP A 56 -5.504 23.577 -14.737 1.00 0.00 N ATOM 888 CA ASP A 56 -5.550 25.000 -15.037 1.00 0.00 C ATOM 889 C ASP A 56 -6.017 25.794 -13.811 1.00 0.00 C ATOM 890 O ASP A 56 -7.081 26.412 -13.820 1.00 0.00 O ATOM 891 CB ASP A 56 -6.424 25.235 -16.278 1.00 0.00 C ATOM 892 CG ASP A 56 -6.356 26.661 -16.821 1.00 0.00 C ATOM 893 OD1 ASP A 56 -5.650 27.504 -16.221 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.041 26.898 -17.839 1.00 0.00 O ATOM 0 H ASP A 56 -6.301 23.055 -15.101 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.550 25.365 -15.272 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.118 24.543 -17.062 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.459 24.999 -16.031 1.00 0.00 H new ATOM 899 N LYS A 57 -5.186 25.811 -12.767 1.00 0.00 N ATOM 900 CA LYS A 57 -5.384 26.556 -11.526 1.00 0.00 C ATOM 901 C LYS A 57 -5.797 28.014 -11.761 1.00 0.00 C ATOM 902 O LYS A 57 -6.527 28.586 -10.955 1.00 0.00 O ATOM 903 CB LYS A 57 -4.093 26.544 -10.688 1.00 0.00 C ATOM 904 CG LYS A 57 -3.424 25.175 -10.498 1.00 0.00 C ATOM 905 CD LYS A 57 -4.398 24.104 -9.997 1.00 0.00 C ATOM 906 CE LYS A 57 -3.653 22.785 -9.770 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.583 21.711 -9.384 1.00 0.00 N ATOM 0 H LYS A 57 -4.315 25.280 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.196 26.057 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.373 27.215 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.319 26.955 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.992 24.852 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.602 25.272 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.866 24.432 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.198 23.959 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.123 22.502 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.902 22.917 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.052 20.829 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.070 21.973 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.284 21.571 -10.139 1.00 0.00 H new ATOM 921 N ASP A 58 -5.306 28.625 -12.844 1.00 0.00 N ATOM 922 CA ASP A 58 -5.476 30.039 -13.151 1.00 0.00 C ATOM 923 C ASP A 58 -6.630 30.223 -14.137 1.00 0.00 C ATOM 924 O ASP A 58 -6.797 31.306 -14.695 1.00 0.00 O ATOM 925 CB ASP A 58 -4.167 30.582 -13.742 1.00 0.00 C ATOM 926 CG ASP A 58 -2.981 30.428 -12.794 1.00 0.00 C ATOM 927 OD1 ASP A 58 -3.096 30.931 -11.656 1.00 0.00 O ATOM 928 OD2 ASP A 58 -1.979 29.815 -13.225 1.00 0.00 O ATOM 0 H ASP A 58 -4.763 28.129 -13.550 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.714 30.590 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.951 30.061 -14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.295 31.636 -13.988 1.00 0.00 H new ATOM 933 N GLY A 59 -7.385 29.147 -14.386 1.00 0.00 N ATOM 934 CA GLY A 59 -8.468 29.034 -15.339 1.00 0.00 C ATOM 935 C GLY A 59 -8.251 29.823 -16.629 1.00 0.00 C ATOM 936 O GLY A 59 -9.183 30.426 -17.153 1.00 0.00 O ATOM 0 H GLY A 59 -7.234 28.273 -13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.609 27.982 -15.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.389 29.376 -14.868 1.00 0.00 H new ATOM 940 N SER A 60 -7.025 29.810 -17.158 1.00 0.00 N ATOM 941 CA SER A 60 -6.621 30.676 -18.255 1.00 0.00 C ATOM 942 C SER A 60 -6.887 30.044 -19.625 1.00 0.00 C ATOM 943 O SER A 60 -6.260 30.432 -20.609 1.00 0.00 O ATOM 944 CB SER A 60 -5.138 31.012 -18.072 1.00 0.00 C ATOM 945 OG SER A 60 -4.889 31.424 -16.738 1.00 0.00 O ATOM 0 H SER A 60 -6.283 29.191 -16.831 1.00 0.00 H new ATOM 0 HA SER A 60 -7.219 31.587 -18.231 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.528 30.141 -18.311 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.849 31.803 -18.764 1.00 0.00 H new ATOM 0 HG SER A 60 -5.730 31.431 -16.235 1.00 0.00 H new ATOM 951 N GLY A 61 -7.769 29.039 -19.688 1.00 0.00 N ATOM 952 CA GLY A 61 -8.080 28.281 -20.893 1.00 0.00 C ATOM 953 C GLY A 61 -6.844 27.646 -21.535 1.00 0.00 C ATOM 954 O GLY A 61 -6.879 27.280 -22.709 1.00 0.00 O ATOM 0 H GLY A 61 -8.299 28.726 -18.874 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.798 27.498 -20.648 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.561 28.940 -21.616 1.00 0.00 H new ATOM 958 N THR A 62 -5.752 27.517 -20.779 1.00 0.00 N ATOM 959 CA THR A 62 -4.442 27.127 -21.266 1.00 0.00 C ATOM 960 C THR A 62 -3.642 26.656 -20.052 1.00 0.00 C ATOM 961 O THR A 62 -4.013 26.972 -18.920 1.00 0.00 O ATOM 962 CB THR A 62 -3.736 28.326 -21.929 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.686 29.420 -21.036 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.368 28.825 -23.231 1.00 0.00 C ATOM 0 H THR A 62 -5.764 27.689 -19.774 1.00 0.00 H new ATOM 0 HA THR A 62 -4.526 26.338 -22.014 1.00 0.00 H new ATOM 0 HB THR A 62 -2.746 27.944 -22.180 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.589 29.778 -20.907 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.795 29.669 -23.613 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.366 28.022 -23.968 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.394 29.140 -23.040 1.00 0.00 H new ATOM 972 N ILE A 63 -2.560 25.905 -20.277 1.00 0.00 N ATOM 973 CA ILE A 63 -1.666 25.455 -19.220 1.00 0.00 C ATOM 974 C ILE A 63 -0.436 26.371 -19.196 1.00 0.00 C ATOM 975 O ILE A 63 0.387 26.331 -20.111 1.00 0.00 O ATOM 976 CB ILE A 63 -1.273 23.980 -19.429 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.461 23.059 -19.759 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.517 23.453 -18.203 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.640 23.163 -18.789 1.00 0.00 C ATOM 0 H ILE A 63 -2.283 25.593 -21.208 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.171 25.513 -18.256 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.624 23.961 -20.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.814 23.290 -20.764 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.110 22.027 -19.773 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.245 22.410 -18.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.386 24.044 -18.051 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.154 23.530 -17.322 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.429 22.479 -19.101 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.309 22.901 -17.784 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.023 24.183 -18.790 1.00 0.00 H new ATOM 991 N ASP A 64 -0.303 27.196 -18.156 1.00 0.00 N ATOM 992 CA ASP A 64 0.898 27.981 -17.898 1.00 0.00 C ATOM 993 C ASP A 64 2.048 27.066 -17.463 1.00 0.00 C ATOM 994 O ASP A 64 1.818 25.972 -16.952 1.00 0.00 O ATOM 995 CB ASP A 64 0.599 29.034 -16.819 1.00 0.00 C ATOM 996 CG ASP A 64 1.863 29.773 -16.391 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.324 30.617 -17.188 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.394 29.421 -15.315 1.00 0.00 O ATOM 0 H ASP A 64 -1.038 27.337 -17.462 1.00 0.00 H new ATOM 0 HA ASP A 64 1.201 28.490 -18.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.130 29.749 -17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.148 28.550 -15.952 1.00 0.00 H new ATOM 1003 N PHE A 65 3.289 27.536 -17.624 1.00 0.00 N ATOM 1004 CA PHE A 65 4.487 26.817 -17.207 1.00 0.00 C ATOM 1005 C PHE A 65 4.377 26.290 -15.775 1.00 0.00 C ATOM 1006 O PHE A 65 4.665 25.123 -15.534 1.00 0.00 O ATOM 1007 CB PHE A 65 5.725 27.705 -17.368 1.00 0.00 C ATOM 1008 CG PHE A 65 7.003 27.068 -16.852 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.431 25.830 -17.371 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.725 27.670 -15.805 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.570 25.200 -16.842 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.876 27.049 -15.292 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.300 25.813 -15.810 1.00 0.00 C ATOM 0 H PHE A 65 3.487 28.439 -18.054 1.00 0.00 H new ATOM 0 HA PHE A 65 4.589 25.948 -17.857 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.851 27.950 -18.423 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.559 28.644 -16.841 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.883 25.365 -18.177 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.393 28.612 -15.395 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.885 24.242 -17.230 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.436 27.522 -14.499 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.185 25.336 -15.416 1.00 0.00 H new ATOM 1023 N GLU A 66 3.948 27.123 -14.824 1.00 0.00 N ATOM 1024 CA GLU A 66 3.828 26.699 -13.435 1.00 0.00 C ATOM 1025 C GLU A 66 2.820 25.551 -13.303 1.00 0.00 C ATOM 1026 O GLU A 66 3.043 24.594 -12.564 1.00 0.00 O ATOM 1027 CB GLU A 66 3.441 27.892 -12.553 1.00 0.00 C ATOM 1028 CG GLU A 66 4.514 28.988 -12.594 1.00 0.00 C ATOM 1029 CD GLU A 66 4.168 30.141 -11.658 1.00 0.00 C ATOM 1030 OE1 GLU A 66 4.347 29.950 -10.436 1.00 0.00 O ATOM 1031 OE2 GLU A 66 3.725 31.186 -12.181 1.00 0.00 O ATOM 0 H GLU A 66 3.679 28.092 -14.994 1.00 0.00 H new ATOM 0 HA GLU A 66 4.794 26.325 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.488 28.301 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.300 27.557 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.479 28.566 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.615 29.362 -13.613 1.00 0.00 H new ATOM 1038 N GLU A 67 1.707 25.637 -14.032 1.00 0.00 N ATOM 1039 CA GLU A 67 0.674 24.614 -14.014 1.00 0.00 C ATOM 1040 C GLU A 67 1.226 23.311 -14.605 1.00 0.00 C ATOM 1041 O GLU A 67 1.063 22.244 -14.020 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.569 25.121 -14.758 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.144 26.384 -14.094 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.318 26.965 -14.877 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.199 27.027 -16.118 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.311 27.347 -14.225 1.00 0.00 O ATOM 0 H GLU A 67 1.501 26.421 -14.651 1.00 0.00 H new ATOM 0 HA GLU A 67 0.371 24.400 -12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.311 25.338 -15.795 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.328 24.339 -14.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.468 26.144 -13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.360 27.136 -14.008 1.00 0.00 H new ATOM 1053 N PHE A 68 1.921 23.403 -15.743 1.00 0.00 N ATOM 1054 CA PHE A 68 2.602 22.274 -16.368 1.00 0.00 C ATOM 1055 C PHE A 68 3.614 21.637 -15.405 1.00 0.00 C ATOM 1056 O PHE A 68 3.656 20.420 -15.235 1.00 0.00 O ATOM 1057 CB PHE A 68 3.283 22.761 -17.653 1.00 0.00 C ATOM 1058 CG PHE A 68 3.924 21.671 -18.485 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.132 20.896 -19.354 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.325 21.533 -18.506 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.739 20.008 -20.258 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.929 20.656 -19.421 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.140 19.899 -20.300 1.00 0.00 C ATOM 0 H PHE A 68 2.025 24.276 -16.259 1.00 0.00 H new ATOM 0 HA PHE A 68 1.875 21.501 -16.617 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.544 23.279 -18.265 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.046 23.493 -17.388 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.056 20.984 -19.326 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.934 22.101 -17.819 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.130 19.410 -20.920 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.005 20.564 -19.448 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.609 19.233 -21.009 1.00 0.00 H new ATOM 1073 N LEU A 69 4.436 22.462 -14.756 1.00 0.00 N ATOM 1074 CA LEU A 69 5.397 22.018 -13.758 1.00 0.00 C ATOM 1075 C LEU A 69 4.670 21.270 -12.639 1.00 0.00 C ATOM 1076 O LEU A 69 5.069 20.167 -12.274 1.00 0.00 O ATOM 1077 CB LEU A 69 6.183 23.231 -13.238 1.00 0.00 C ATOM 1078 CG LEU A 69 7.196 22.908 -12.130 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.269 21.924 -12.604 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.868 24.209 -11.674 1.00 0.00 C ATOM 0 H LEU A 69 4.450 23.470 -14.914 1.00 0.00 H new ATOM 0 HA LEU A 69 6.112 21.323 -14.198 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.712 23.690 -14.073 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.477 23.971 -12.862 1.00 0.00 H new ATOM 0 HG LEU A 69 6.657 22.441 -11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.964 21.724 -11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.796 20.992 -12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.811 22.355 -13.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.589 23.989 -10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.381 24.669 -12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.112 24.895 -11.292 1.00 0.00 H new ATOM 1092 N THR A 70 3.593 21.853 -12.106 1.00 0.00 N ATOM 1093 CA THR A 70 2.774 21.207 -11.087 1.00 0.00 C ATOM 1094 C THR A 70 2.282 19.844 -11.587 1.00 0.00 C ATOM 1095 O THR A 70 2.417 18.844 -10.887 1.00 0.00 O ATOM 1096 CB THR A 70 1.613 22.124 -10.668 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.112 23.380 -10.258 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.830 21.533 -9.492 1.00 0.00 C ATOM 0 H THR A 70 3.268 22.783 -12.370 1.00 0.00 H new ATOM 0 HA THR A 70 3.381 21.030 -10.199 1.00 0.00 H new ATOM 0 HB THR A 70 0.956 22.226 -11.532 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.388 23.895 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.017 22.206 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.419 20.565 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.496 21.407 -8.638 1.00 0.00 H new ATOM 1106 N MET A 71 1.732 19.798 -12.804 1.00 0.00 N ATOM 1107 CA MET A 71 1.264 18.575 -13.436 1.00 0.00 C ATOM 1108 C MET A 71 2.373 17.519 -13.432 1.00 0.00 C ATOM 1109 O MET A 71 2.171 16.415 -12.932 1.00 0.00 O ATOM 1110 CB MET A 71 0.760 18.904 -14.849 1.00 0.00 C ATOM 1111 CG MET A 71 0.086 17.726 -15.553 1.00 0.00 C ATOM 1112 SD MET A 71 -0.497 18.139 -17.216 1.00 0.00 S ATOM 1113 CE MET A 71 -1.042 16.509 -17.756 1.00 0.00 C ATOM 0 H MET A 71 1.600 20.628 -13.382 1.00 0.00 H new ATOM 0 HA MET A 71 0.431 18.151 -12.876 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.054 19.732 -14.789 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.600 19.245 -15.454 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.790 16.896 -15.616 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.757 17.384 -14.952 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.435 16.574 -18.770 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.199 15.819 -17.738 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.822 16.146 -17.087 1.00 0.00 H new ATOM 1123 N MET A 72 3.554 17.854 -13.956 1.00 0.00 N ATOM 1124 CA MET A 72 4.701 16.952 -13.941 1.00 0.00 C ATOM 1125 C MET A 72 5.017 16.485 -12.515 1.00 0.00 C ATOM 1126 O MET A 72 5.153 15.287 -12.264 1.00 0.00 O ATOM 1127 CB MET A 72 5.912 17.638 -14.586 1.00 0.00 C ATOM 1128 CG MET A 72 5.734 17.806 -16.100 1.00 0.00 C ATOM 1129 SD MET A 72 5.790 16.262 -17.046 1.00 0.00 S ATOM 1130 CE MET A 72 5.612 16.914 -18.718 1.00 0.00 C ATOM 0 H MET A 72 3.739 18.754 -14.400 1.00 0.00 H new ATOM 0 HA MET A 72 4.456 16.064 -14.524 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.063 18.615 -14.127 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.809 17.052 -14.389 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.779 18.296 -16.287 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.513 18.472 -16.472 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.626 16.091 -19.433 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.667 17.450 -18.801 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.435 17.595 -18.933 1.00 0.00 H new ATOM 1140 N THR A 73 5.109 17.433 -11.579 1.00 0.00 N ATOM 1141 CA THR A 73 5.386 17.148 -10.175 1.00 0.00 C ATOM 1142 C THR A 73 4.344 16.180 -9.594 1.00 0.00 C ATOM 1143 O THR A 73 4.683 15.319 -8.787 1.00 0.00 O ATOM 1144 CB THR A 73 5.471 18.456 -9.368 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.357 19.365 -9.987 1.00 0.00 O ATOM 1146 CG2 THR A 73 6.009 18.214 -7.955 1.00 0.00 C ATOM 0 H THR A 73 4.992 18.426 -11.779 1.00 0.00 H new ATOM 0 HA THR A 73 6.355 16.653 -10.104 1.00 0.00 H new ATOM 0 HB THR A 73 4.458 18.856 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.916 19.778 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.055 19.160 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.348 17.527 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.008 17.782 -8.015 1.00 0.00 H new ATOM 1154 N ALA A 74 3.077 16.310 -9.997 1.00 0.00 N ATOM 1155 CA ALA A 74 2.017 15.405 -9.577 1.00 0.00 C ATOM 1156 C ALA A 74 2.170 14.028 -10.231 1.00 0.00 C ATOM 1157 O ALA A 74 1.994 13.011 -9.566 1.00 0.00 O ATOM 1158 CB ALA A 74 0.651 16.022 -9.892 1.00 0.00 C ATOM 0 H ALA A 74 2.762 17.049 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 74 2.092 15.258 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.138 15.340 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.548 16.968 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.570 16.198 -10.965 1.00 0.00 H new ATOM 1164 N LYS A 75 2.460 13.987 -11.535 1.00 0.00 N ATOM 1165 CA LYS A 75 2.583 12.738 -12.276 1.00 0.00 C ATOM 1166 C LYS A 75 3.745 11.883 -11.769 1.00 0.00 C ATOM 1167 O LYS A 75 3.588 10.671 -11.628 1.00 0.00 O ATOM 1168 CB LYS A 75 2.756 13.011 -13.776 1.00 0.00 C ATOM 1169 CG LYS A 75 1.456 13.494 -14.436 1.00 0.00 C ATOM 1170 CD LYS A 75 1.588 13.578 -15.964 1.00 0.00 C ATOM 1171 CE LYS A 75 2.717 14.519 -16.401 1.00 0.00 C ATOM 1172 NZ LYS A 75 2.724 14.729 -17.858 1.00 0.00 N ATOM 0 H LYS A 75 2.615 14.821 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 75 1.660 12.181 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.534 13.761 -13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.096 12.102 -14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.644 12.815 -14.178 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.190 14.474 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.773 12.582 -16.366 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.646 13.923 -16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.605 15.479 -15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.676 14.105 -16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.594 15.228 -18.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.685 13.809 -18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.898 15.298 -18.131 1.00 0.00 H new ATOM 1186 N MET A 76 4.926 12.481 -11.571 1.00 0.00 N ATOM 1187 CA MET A 76 6.123 11.703 -11.256 1.00 0.00 C ATOM 1188 C MET A 76 5.941 10.834 -10.003 1.00 0.00 C ATOM 1189 O MET A 76 6.496 9.712 -10.009 1.00 0.00 O ATOM 1190 CB MET A 76 7.365 12.601 -11.163 1.00 0.00 C ATOM 1191 CG MET A 76 7.360 13.510 -9.927 1.00 0.00 C ATOM 1192 SD MET A 76 8.750 14.661 -9.769 1.00 0.00 S ATOM 1193 CE MET A 76 10.148 13.517 -9.722 1.00 0.00 C ATOM 1194 OXT MET A 76 5.290 11.315 -9.049 1.00 0.00 O ATOM 0 H MET A 76 5.075 13.489 -11.623 1.00 0.00 H new ATOM 0 HA MET A 76 6.284 11.013 -12.084 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.257 11.975 -11.143 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.428 13.218 -12.060 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.436 14.088 -9.932 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.336 12.879 -9.039 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.860 13.843 -8.964 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.791 12.516 -9.478 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.638 13.500 -10.696 1.00 0.00 H new TER 1204 MET A 76