USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 137:sc= 1.04 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.812 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.147 K(o=0.15,f=-0.62) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.162 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -150:sc= 0.578 (180deg=-0.0947) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.527 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.129 (180deg=-0.197) USER MOD Single : A 1 MET N :NH3+ 168:sc= 2.33 (180deg=2.08) USER MOD Single : A 2 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.2) USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.276 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 2.38 (180deg=1.8) USER MOD Single : A 29 LYS NZ :NH3+ 133:sc= 0.387 (180deg=0.0826) USER MOD Single : A 31 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.057) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 GLN : amide:sc= 1.32 K(o=1.3,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.78) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.371 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.0019) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.182) USER MOD Single : A 65 SER OG : rot 93:sc= 0.283 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0292 K(o=0.029,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.126 -7.333 -5.090 1.00 9.67 N ATOM 2 CA MET A 1 11.280 -7.746 -3.684 1.00 10.38 C ATOM 3 C MET A 1 9.879 -7.990 -3.064 1.00 9.62 C ATOM 4 O MET A 1 8.887 -7.687 -3.728 1.00 9.62 O ATOM 5 CB MET A 1 12.239 -6.691 -2.991 1.00 13.77 C ATOM 6 CG MET A 1 11.823 -5.212 -3.035 1.00 16.29 C ATOM 7 SD MET A 1 10.219 -4.901 -2.137 1.00 17.17 S ATOM 8 CE MET A 1 10.577 -3.113 -2.302 1.00 16.11 C ATOM 0 H1 MET A 1 12.034 -6.975 -5.448 1.00 9.67 H new ATOM 0 H2 MET A 1 10.826 -8.149 -5.661 1.00 9.67 H new ATOM 0 H3 MET A 1 10.409 -6.583 -5.155 1.00 9.67 H new ATOM 0 HA MET A 1 11.771 -8.708 -3.541 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.352 -6.977 -1.945 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.222 -6.777 -3.453 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.610 -4.602 -2.591 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.723 -4.896 -4.073 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.700 -2.538 -2.007 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.417 -2.849 -1.659 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.828 -2.886 -3.338 1.00 16.11 H new ATOM 20 N GLN A 2 9.792 -8.544 -1.803 1.00 9.27 N ATOM 21 CA GLN A 2 8.599 -8.744 -1.050 1.00 9.07 C ATOM 22 C GLN A 2 8.199 -7.537 -0.178 1.00 8.72 C ATOM 23 O GLN A 2 9.055 -6.968 0.502 1.00 8.22 O ATOM 24 CB GLN A 2 8.592 -10.024 -0.197 1.00 14.46 C ATOM 25 CG GLN A 2 8.918 -11.313 -1.004 1.00 17.01 C ATOM 26 CD GLN A 2 8.702 -12.569 -0.161 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.707 -12.750 0.548 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.690 -13.486 -0.143 1.00 19.49 N ATOM 0 H GLN A 2 10.621 -8.863 -1.302 1.00 9.27 H new ATOM 0 HA GLN A 2 7.845 -8.864 -1.828 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.318 -9.917 0.609 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.613 -10.135 0.268 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.288 -11.357 -1.892 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.952 -11.277 -1.348 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.519 -13.354 -0.722 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.608 -14.312 0.449 1.00 19.49 H new ATOM 37 N ILE A 3 6.862 -7.119 -0.163 1.00 5.87 N ATOM 38 CA ILE A 3 6.195 -6.323 0.916 1.00 5.07 C ATOM 39 C ILE A 3 4.928 -7.081 1.340 1.00 4.01 C ATOM 40 O ILE A 3 4.311 -7.777 0.527 1.00 4.61 O ATOM 41 CB ILE A 3 6.034 -4.883 0.584 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.214 -4.641 -0.701 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.395 -4.179 0.534 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.801 -3.178 -0.908 1.00 10.83 C ATOM 0 H ILE A 3 6.224 -7.342 -0.927 1.00 5.87 H new ATOM 0 HA ILE A 3 6.836 -6.249 1.794 1.00 5.07 H new ATOM 0 HB ILE A 3 5.450 -4.440 1.391 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.799 -4.968 -1.561 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.318 -5.261 -0.671 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.251 -3.127 0.289 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.884 -4.262 1.505 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.019 -4.647 -0.228 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.229 -3.089 -1.831 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.188 -2.851 -0.068 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.692 -2.554 -0.972 1.00 10.83 H new ATOM 56 N PHE A 4 4.494 -6.861 2.602 1.00 4.55 N ATOM 57 CA PHE A 4 3.363 -7.600 3.084 1.00 4.68 C ATOM 58 C PHE A 4 2.322 -6.532 3.456 1.00 5.30 C ATOM 59 O PHE A 4 2.592 -5.619 4.276 1.00 5.58 O ATOM 60 CB PHE A 4 3.636 -8.441 4.321 1.00 4.83 C ATOM 61 CG PHE A 4 4.848 -9.315 4.073 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.018 -10.162 2.928 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.861 -9.343 5.042 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.095 -10.953 2.749 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.943 -10.185 4.824 1.00 10.61 C ATOM 66 CZ PHE A 4 7.137 -10.956 3.683 1.00 8.90 C ATOM 0 H PHE A 4 4.906 -6.201 3.262 1.00 4.55 H new ATOM 0 HA PHE A 4 3.051 -8.304 2.313 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.808 -7.796 5.183 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.769 -9.059 4.554 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.246 -10.166 2.173 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.801 -8.730 5.929 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.154 -11.589 1.878 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.692 -10.246 5.600 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.041 -11.525 3.526 1.00 8.90 H new ATOM 76 N VAL A 5 1.062 -6.642 2.907 1.00 4.44 N ATOM 77 CA VAL A 5 0.013 -5.719 3.209 1.00 3.87 C ATOM 78 C VAL A 5 -1.132 -6.499 3.875 1.00 4.93 C ATOM 79 O VAL A 5 -1.761 -7.468 3.398 1.00 6.84 O ATOM 80 CB VAL A 5 -0.560 -5.006 2.000 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.533 -3.923 2.422 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.539 -4.325 1.115 1.00 9.13 C ATOM 0 H VAL A 5 0.793 -7.379 2.256 1.00 4.44 H new ATOM 0 HA VAL A 5 0.448 -4.955 3.853 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.059 -5.780 1.417 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.930 -3.426 1.537 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.352 -4.369 2.986 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.017 -3.194 3.047 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.067 -3.831 0.265 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.079 -3.588 1.709 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.236 -5.081 0.754 1.00 9.13 H new ATOM 92 N LYS A 6 -1.466 -6.057 5.089 1.00 6.04 N ATOM 93 CA LYS A 6 -2.476 -6.585 5.952 1.00 6.12 C ATOM 94 C LYS A 6 -3.842 -5.886 5.687 1.00 6.57 C ATOM 95 O LYS A 6 -3.940 -4.687 5.824 1.00 5.76 O ATOM 96 CB LYS A 6 -2.188 -6.426 7.461 1.00 7.45 C ATOM 97 CG LYS A 6 -1.022 -7.380 7.894 1.00 11.12 C ATOM 98 CD LYS A 6 -1.360 -7.972 9.280 1.00 14.54 C ATOM 99 CE LYS A 6 -0.268 -8.804 9.972 1.00 18.84 C ATOM 100 NZ LYS A 6 0.282 -9.765 9.020 1.00 20.55 N ATOM 0 H LYS A 6 -0.989 -5.259 5.509 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.494 -7.649 5.717 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.922 -5.392 7.681 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.086 -6.653 8.036 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.894 -8.178 7.163 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.081 -6.832 7.936 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.629 -7.149 9.943 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.246 -8.598 9.173 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.521 -8.151 10.345 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.684 -9.326 10.834 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.603 -10.613 9.529 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.451 -10.031 8.332 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.087 -9.336 8.520 1.00 20.55 H new ATOM 114 N THR A 7 -4.845 -6.742 5.272 1.00 7.41 N ATOM 115 CA THR A 7 -6.210 -6.301 4.996 1.00 7.48 C ATOM 116 C THR A 7 -7.206 -6.141 6.251 1.00 8.75 C ATOM 117 O THR A 7 -6.916 -6.621 7.356 1.00 8.58 O ATOM 118 CB THR A 7 -6.833 -7.059 3.839 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.380 -8.270 4.203 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.753 -7.356 2.785 1.00 9.17 C ATOM 0 H THR A 7 -4.701 -7.742 5.130 1.00 7.41 H new ATOM 0 HA THR A 7 -6.070 -5.264 4.692 1.00 7.48 H new ATOM 0 HB THR A 7 -7.631 -6.421 3.458 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.765 -8.705 3.414 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.198 -7.901 1.952 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.331 -6.419 2.422 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.964 -7.959 3.233 1.00 9.17 H new ATOM 128 N LEU A 8 -8.310 -5.449 6.073 1.00 9.84 N ATOM 129 CA LEU A 8 -9.310 -5.149 7.097 1.00 14.15 C ATOM 130 C LEU A 8 -10.195 -6.388 7.323 1.00 17.37 C ATOM 131 O LEU A 8 -10.952 -6.423 8.301 1.00 17.01 O ATOM 132 CB LEU A 8 -10.296 -3.972 6.680 1.00 16.63 C ATOM 133 CG LEU A 8 -9.719 -2.632 6.677 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.803 -1.540 6.322 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.160 -2.223 8.022 1.00 18.59 C ATOM 0 H LEU A 8 -8.555 -5.056 5.164 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.753 -4.854 7.986 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.682 -4.183 5.683 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.148 -3.979 7.360 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.924 -2.680 5.933 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.341 -0.553 6.328 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.213 -1.742 5.333 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.605 -1.570 7.060 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.746 -1.217 7.953 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.956 -2.238 8.766 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.375 -2.919 8.317 1.00 18.59 H new ATOM 147 N THR A 9 -10.107 -7.457 6.492 1.00 18.33 N ATOM 148 CA THR A 9 -10.804 -8.688 6.579 1.00 19.24 C ATOM 149 C THR A 9 -9.882 -9.836 6.910 1.00 19.48 C ATOM 150 O THR A 9 -10.180 -10.988 6.641 1.00 23.14 O ATOM 151 CB THR A 9 -11.583 -9.033 5.267 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.675 -8.938 4.202 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.662 -8.000 5.016 1.00 19.70 C ATOM 0 H THR A 9 -9.482 -7.440 5.686 1.00 18.33 H new ATOM 0 HA THR A 9 -11.522 -8.554 7.388 1.00 19.24 H new ATOM 0 HB THR A 9 -12.026 -10.025 5.355 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.133 -9.151 3.362 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.198 -8.249 4.100 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.359 -7.991 5.854 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.206 -7.015 4.913 1.00 19.70 H new ATOM 161 N GLY A 10 -8.731 -9.476 7.500 1.00 19.43 N ATOM 162 CA GLY A 10 -7.894 -10.473 8.073 1.00 18.74 C ATOM 163 C GLY A 10 -7.053 -11.289 7.108 1.00 17.62 C ATOM 164 O GLY A 10 -6.538 -12.306 7.515 1.00 19.74 O ATOM 0 H GLY A 10 -8.388 -8.519 7.579 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.224 -9.989 8.784 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.521 -11.159 8.643 1.00 18.74 H new ATOM 168 N LYS A 11 -6.808 -10.845 5.889 1.00 13.56 N ATOM 169 CA LYS A 11 -5.890 -11.495 4.949 1.00 11.91 C ATOM 170 C LYS A 11 -4.552 -10.686 4.900 1.00 10.18 C ATOM 171 O LYS A 11 -4.585 -9.515 5.200 1.00 9.10 O ATOM 172 CB LYS A 11 -6.545 -11.559 3.540 1.00 13.43 C ATOM 173 CG LYS A 11 -5.838 -12.485 2.523 1.00 16.69 C ATOM 174 CD LYS A 11 -6.619 -12.769 1.273 1.00 17.92 C ATOM 175 CE LYS A 11 -5.824 -13.598 0.240 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.836 -14.017 -0.755 1.00 21.93 N ATOM 0 H LYS A 11 -7.246 -10.006 5.509 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.677 -12.513 5.277 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.577 -11.891 3.652 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.578 -10.551 3.127 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.886 -12.033 2.244 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.610 -13.431 3.014 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.532 -13.304 1.535 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.922 -11.826 0.818 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.035 -13.005 -0.222 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.345 -14.459 0.706 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.393 -14.643 -1.458 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.605 -14.526 -0.275 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.221 -13.178 -1.233 1.00 21.93 H new ATOM 190 N THR A 12 -3.421 -11.325 4.652 1.00 9.63 N ATOM 191 CA THR A 12 -2.135 -10.633 4.482 1.00 9.85 C ATOM 192 C THR A 12 -1.563 -10.982 3.130 1.00 11.66 C ATOM 193 O THR A 12 -1.375 -12.157 2.775 1.00 12.33 O ATOM 194 CB THR A 12 -1.090 -11.074 5.535 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.520 -10.784 6.844 1.00 10.91 O ATOM 196 CG2 THR A 12 0.274 -10.402 5.251 1.00 9.63 C ATOM 0 H THR A 12 -3.359 -12.339 4.561 1.00 9.63 H new ATOM 0 HA THR A 12 -2.329 -9.566 4.590 1.00 9.85 H new ATOM 0 HB THR A 12 -0.975 -12.155 5.458 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.427 -11.583 7.403 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.000 -10.721 5.999 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.623 -10.692 4.260 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.162 -9.319 5.293 1.00 9.63 H new ATOM 204 N ILE A 13 -1.443 -9.997 2.284 1.00 10.42 N ATOM 205 CA ILE A 13 -1.025 -10.286 0.890 1.00 11.84 C ATOM 206 C ILE A 13 0.437 -9.843 0.582 1.00 10.55 C ATOM 207 O ILE A 13 0.884 -8.762 0.931 1.00 11.92 O ATOM 208 CB ILE A 13 -1.987 -9.627 -0.100 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.354 -8.237 0.383 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.208 -10.630 -0.128 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.335 -7.547 -0.568 1.00 16.46 C ATOM 0 H ILE A 13 -1.615 -9.014 2.497 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.058 -11.370 0.777 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.581 -9.470 -1.099 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.796 -8.302 1.377 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.451 -7.634 0.475 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.970 -10.257 -0.813 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.867 -11.609 -0.464 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.631 -10.717 0.873 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.573 -6.554 -0.187 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.883 -7.458 -1.556 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.249 -8.137 -0.639 1.00 16.46 H new ATOM 223 N THR A 14 1.150 -10.721 -0.163 1.00 9.39 N ATOM 224 CA THR A 14 2.555 -10.518 -0.488 1.00 9.63 C ATOM 225 C THR A 14 2.761 -10.042 -1.925 1.00 11.20 C ATOM 226 O THR A 14 2.505 -10.678 -2.927 1.00 11.63 O ATOM 227 CB THR A 14 3.370 -11.829 -0.398 1.00 10.38 C ATOM 228 OG1 THR A 14 3.307 -12.317 0.933 1.00 16.30 O ATOM 229 CG2 THR A 14 4.896 -11.570 -0.787 1.00 11.66 C ATOM 0 H THR A 14 0.757 -11.580 -0.547 1.00 9.39 H new ATOM 0 HA THR A 14 2.888 -9.775 0.237 1.00 9.63 H new ATOM 0 HB THR A 14 2.950 -12.557 -1.093 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.970 -11.851 1.484 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.453 -12.504 -0.718 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.952 -11.189 -1.807 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.327 -10.839 -0.103 1.00 11.66 H new ATOM 237 N LEU A 15 3.202 -8.747 -2.086 1.00 8.29 N ATOM 238 CA LEU A 15 3.390 -8.151 -3.401 1.00 9.03 C ATOM 239 C LEU A 15 4.856 -8.306 -3.825 1.00 8.59 C ATOM 240 O LEU A 15 5.717 -8.455 -2.974 1.00 7.79 O ATOM 241 CB LEU A 15 2.975 -6.681 -3.262 1.00 11.08 C ATOM 242 CG LEU A 15 1.584 -6.410 -2.574 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.249 -4.971 -2.424 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.436 -7.052 -3.388 1.00 15.27 C ATOM 0 H LEU A 15 3.424 -8.124 -1.309 1.00 8.29 H new ATOM 0 HA LEU A 15 2.791 -8.633 -4.174 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.745 -6.161 -2.693 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.957 -6.235 -4.256 1.00 11.08 H new ATOM 0 HG LEU A 15 1.682 -6.850 -1.581 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.276 -4.872 -1.942 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.008 -4.482 -1.813 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.216 -4.501 -3.407 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.515 -6.853 -2.895 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.420 -6.628 -4.392 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.593 -8.129 -3.452 1.00 15.27 H new ATOM 256 N GLU A 16 5.062 -8.312 -5.164 1.00 11.04 N ATOM 257 CA GLU A 16 6.340 -8.242 -5.859 1.00 11.50 C ATOM 258 C GLU A 16 6.464 -6.852 -6.494 1.00 10.13 C ATOM 259 O GLU A 16 5.808 -6.571 -7.516 1.00 9.83 O ATOM 260 CB GLU A 16 6.545 -9.275 -6.980 1.00 17.22 C ATOM 261 CG GLU A 16 7.914 -9.188 -7.683 1.00 23.33 C ATOM 262 CD GLU A 16 9.028 -9.600 -6.758 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.946 -10.617 -5.974 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.112 -8.909 -6.826 1.00 28.90 O ATOM 0 H GLU A 16 4.280 -8.370 -5.816 1.00 11.04 H new ATOM 0 HA GLU A 16 7.095 -8.455 -5.102 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.428 -10.275 -6.562 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.759 -9.146 -7.724 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.914 -9.829 -8.565 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.084 -8.169 -8.030 1.00 23.33 H new ATOM 271 N VAL A 17 7.312 -5.998 -5.902 1.00 8.99 N ATOM 272 CA VAL A 17 7.473 -4.643 -6.320 1.00 8.85 C ATOM 273 C VAL A 17 8.920 -4.338 -6.363 1.00 8.04 C ATOM 274 O VAL A 17 9.726 -5.021 -5.691 1.00 8.99 O ATOM 275 CB VAL A 17 6.876 -3.683 -5.292 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.301 -3.710 -5.192 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.373 -4.075 -3.828 1.00 10.54 C ATOM 0 H VAL A 17 7.902 -6.256 -5.111 1.00 8.99 H new ATOM 0 HA VAL A 17 6.983 -4.524 -7.287 1.00 8.85 H new ATOM 0 HB VAL A 17 7.202 -2.700 -5.632 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.972 -2.996 -4.437 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.871 -3.442 -6.157 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.971 -4.711 -4.913 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.943 -3.386 -3.101 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.056 -5.092 -3.596 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.461 -4.016 -3.785 1.00 10.54 H new ATOM 287 N GLU A 18 9.310 -3.283 -7.056 1.00 7.29 N ATOM 288 CA GLU A 18 10.675 -2.755 -7.077 1.00 7.08 C ATOM 289 C GLU A 18 10.697 -1.690 -5.989 1.00 6.45 C ATOM 290 O GLU A 18 9.637 -1.146 -5.814 1.00 5.28 O ATOM 291 CB GLU A 18 11.197 -2.390 -8.469 1.00 10.28 C ATOM 292 CG GLU A 18 11.310 -3.539 -9.467 1.00 12.65 C ATOM 293 CD GLU A 18 12.475 -4.476 -9.155 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.658 -4.137 -9.371 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.214 -5.628 -8.685 1.00 18.17 O ATOM 0 H GLU A 18 8.669 -2.748 -7.641 1.00 7.29 H new ATOM 0 HA GLU A 18 11.428 -3.508 -6.842 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.540 -1.631 -8.893 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.181 -1.934 -8.358 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.381 -4.108 -9.467 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.434 -3.133 -10.471 1.00 12.65 H new ATOM 302 N PRO A 19 11.851 -1.281 -5.446 1.00 7.24 N ATOM 303 CA PRO A 19 11.911 -0.062 -4.595 1.00 7.07 C ATOM 304 C PRO A 19 11.581 1.188 -5.395 1.00 6.65 C ATOM 305 O PRO A 19 11.175 2.273 -4.899 1.00 6.37 O ATOM 306 CB PRO A 19 13.317 -0.073 -4.050 1.00 7.61 C ATOM 307 CG PRO A 19 14.168 -0.874 -5.081 1.00 8.16 C ATOM 308 CD PRO A 19 13.179 -1.944 -5.574 1.00 7.49 C ATOM 0 HA PRO A 19 11.175 -0.057 -3.791 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.698 0.941 -3.933 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.351 -0.542 -3.067 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.519 -0.241 -5.896 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.050 -1.319 -4.620 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.384 -2.235 -6.604 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.235 -2.850 -4.970 1.00 7.49 H new ATOM 316 N SER A 20 11.857 1.115 -6.696 1.00 6.80 N ATOM 317 CA SER A 20 11.470 2.140 -7.627 1.00 6.28 C ATOM 318 C SER A 20 9.984 2.172 -8.000 1.00 8.45 C ATOM 319 O SER A 20 9.602 3.051 -8.787 1.00 7.26 O ATOM 320 CB SER A 20 12.398 1.947 -8.896 1.00 8.57 C ATOM 321 OG SER A 20 12.057 0.720 -9.560 1.00 11.13 O ATOM 0 H SER A 20 12.358 0.335 -7.122 1.00 6.80 H new ATOM 0 HA SER A 20 11.607 3.112 -7.153 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.277 2.788 -9.579 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.445 1.930 -8.594 1.00 8.57 H new ATOM 0 HG SER A 20 12.631 0.603 -10.346 1.00 11.13 H new ATOM 327 N ASP A 21 9.162 1.224 -7.543 1.00 7.50 N ATOM 328 CA ASP A 21 7.759 1.345 -7.684 1.00 7.70 C ATOM 329 C ASP A 21 7.164 2.438 -6.710 1.00 7.08 C ATOM 330 O ASP A 21 7.550 2.566 -5.549 1.00 8.11 O ATOM 331 CB ASP A 21 6.969 0.029 -7.488 1.00 11.00 C ATOM 332 CG ASP A 21 6.944 -0.818 -8.703 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.308 -0.350 -9.670 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.425 -1.996 -8.752 1.00 18.03 O ATOM 0 H ASP A 21 9.472 0.372 -7.075 1.00 7.50 H new ATOM 0 HA ASP A 21 7.630 1.646 -8.724 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.412 -0.535 -6.668 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.946 0.266 -7.196 1.00 11.00 H new ATOM 339 N THR A 22 6.098 3.147 -7.181 1.00 5.37 N ATOM 340 CA THR A 22 5.355 4.137 -6.468 1.00 6.01 C ATOM 341 C THR A 22 4.166 3.495 -5.686 1.00 8.01 C ATOM 342 O THR A 22 3.775 2.365 -5.923 1.00 8.11 O ATOM 343 CB THR A 22 4.661 5.255 -7.254 1.00 8.92 C ATOM 344 OG1 THR A 22 3.806 4.684 -8.221 1.00 10.22 O ATOM 345 CG2 THR A 22 5.795 6.001 -8.075 1.00 9.65 C ATOM 0 H THR A 22 5.743 3.008 -8.127 1.00 5.37 H new ATOM 0 HA THR A 22 6.160 4.572 -5.875 1.00 6.01 H new ATOM 0 HB THR A 22 4.109 5.907 -6.577 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.360 5.396 -8.724 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.352 6.810 -8.655 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.533 6.411 -7.386 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.280 5.295 -8.749 1.00 9.65 H new ATOM 353 N ILE A 23 3.593 4.201 -4.714 1.00 8.32 N ATOM 354 CA ILE A 23 2.468 3.742 -3.921 1.00 9.92 C ATOM 355 C ILE A 23 1.199 3.546 -4.705 1.00 10.01 C ATOM 356 O ILE A 23 0.431 2.679 -4.418 1.00 8.71 O ATOM 357 CB ILE A 23 2.279 4.640 -2.715 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.537 4.832 -1.904 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.049 4.250 -1.863 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.203 3.582 -1.419 1.00 12.30 C ATOM 0 H ILE A 23 3.912 5.134 -4.453 1.00 8.32 H new ATOM 0 HA ILE A 23 2.716 2.740 -3.571 1.00 9.92 H new ATOM 0 HB ILE A 23 2.055 5.628 -3.118 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.253 5.391 -2.507 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.297 5.451 -1.039 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.965 4.928 -1.014 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.148 4.318 -2.472 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.166 3.228 -1.501 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.095 3.843 -0.849 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.515 3.027 -0.782 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.485 2.965 -2.272 1.00 12.30 H new ATOM 372 N GLU A 24 0.966 4.364 -5.712 1.00 9.54 N ATOM 373 CA GLU A 24 -0.074 4.149 -6.711 1.00 11.81 C ATOM 374 C GLU A 24 0.042 2.785 -7.427 1.00 11.14 C ATOM 375 O GLU A 24 -0.985 2.114 -7.662 1.00 10.62 O ATOM 376 CB GLU A 24 0.084 5.244 -7.823 1.00 19.24 C ATOM 377 CG GLU A 24 -0.847 5.110 -9.051 1.00 27.76 C ATOM 378 CD GLU A 24 -0.662 6.119 -10.138 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.018 7.166 -9.880 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.090 5.900 -11.301 1.00 34.80 O ATOM 0 H GLU A 24 1.504 5.217 -5.866 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.029 4.189 -6.188 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.086 6.220 -7.369 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.116 5.231 -8.173 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.707 4.117 -9.479 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.879 5.166 -8.705 1.00 27.76 H new ATOM 387 N ASN A 25 1.277 2.342 -7.774 1.00 9.43 N ATOM 388 CA ASN A 25 1.618 1.021 -8.273 1.00 10.96 C ATOM 389 C ASN A 25 1.390 -0.026 -7.154 1.00 9.68 C ATOM 390 O ASN A 25 0.988 -1.155 -7.406 1.00 9.33 O ATOM 391 CB ASN A 25 3.060 0.898 -8.774 1.00 16.78 C ATOM 392 CG ASN A 25 3.431 1.987 -9.818 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.555 2.575 -10.462 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.731 2.092 -10.159 1.00 24.70 N ATOM 0 H ASN A 25 2.096 2.946 -7.702 1.00 9.43 H new ATOM 0 HA ASN A 25 0.969 0.843 -9.130 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.741 0.967 -7.926 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.203 -0.087 -9.218 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.004 2.663 -10.959 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.442 1.600 -9.617 1.00 24.70 H new ATOM 401 N VAL A 26 1.760 0.180 -5.853 1.00 6.52 N ATOM 402 CA VAL A 26 1.419 -0.748 -4.823 1.00 5.53 C ATOM 403 C VAL A 26 -0.082 -0.890 -4.641 1.00 4.42 C ATOM 404 O VAL A 26 -0.597 -1.992 -4.678 1.00 3.40 O ATOM 405 CB VAL A 26 2.029 -0.281 -3.515 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.695 -1.251 -2.316 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.521 -0.113 -3.604 1.00 8.12 C ATOM 0 H VAL A 26 2.292 0.989 -5.533 1.00 6.52 H new ATOM 0 HA VAL A 26 1.810 -1.722 -5.117 1.00 5.53 H new ATOM 0 HB VAL A 26 1.576 0.691 -3.321 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.154 -0.872 -1.403 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.615 -1.306 -2.183 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.085 -2.245 -2.533 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.907 0.223 -2.642 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.979 -1.066 -3.867 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.759 0.627 -4.368 1.00 8.12 H new ATOM 417 N LYS A 27 -0.828 0.180 -4.593 1.00 2.64 N ATOM 418 CA LYS A 27 -2.290 0.224 -4.595 1.00 4.14 C ATOM 419 C LYS A 27 -2.995 -0.481 -5.759 1.00 5.58 C ATOM 420 O LYS A 27 -3.957 -1.198 -5.580 1.00 4.11 O ATOM 421 CB LYS A 27 -2.991 1.610 -4.534 1.00 3.97 C ATOM 422 CG LYS A 27 -2.590 2.276 -3.187 1.00 7.45 C ATOM 423 CD LYS A 27 -3.284 3.667 -2.894 1.00 9.02 C ATOM 424 CE LYS A 27 -3.037 4.139 -1.444 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.566 5.482 -1.317 1.00 15.47 N ATOM 0 H LYS A 27 -0.417 1.112 -4.548 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.407 -0.305 -3.649 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.232 -5.375 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.073 1.496 -4.598 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.829 1.590 -2.375 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.509 2.417 -3.177 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.905 4.416 -3.589 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.356 3.582 -3.071 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.524 3.468 -0.736 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.972 4.125 -1.214 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.224 5.907 -0.432 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.249 6.058 -2.123 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.605 5.446 -1.305 1.00 15.47 H new ATOM 439 N ALA A 28 -2.488 -0.378 -6.971 1.00 6.61 N ATOM 440 CA ALA A 28 -3.030 -1.065 -8.098 1.00 7.74 C ATOM 441 C ALA A 28 -2.729 -2.569 -8.150 1.00 9.17 C ATOM 442 O ALA A 28 -3.476 -3.332 -8.769 1.00 11.45 O ATOM 443 CB ALA A 28 -2.329 -0.552 -9.369 1.00 7.68 C ATOM 0 H ALA A 28 -1.675 0.197 -7.191 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.104 -0.893 -8.026 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.732 -1.068 -10.240 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.499 0.520 -9.471 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.259 -0.744 -9.297 1.00 7.68 H new ATOM 449 N LYS A 29 -1.644 -2.960 -7.447 1.00 8.96 N ATOM 450 CA LYS A 29 -1.373 -4.319 -7.066 1.00 7.90 C ATOM 451 C LYS A 29 -2.308 -4.878 -6.038 1.00 6.92 C ATOM 452 O LYS A 29 -2.559 -6.080 -5.998 1.00 6.87 O ATOM 453 CB LYS A 29 0.118 -4.400 -6.629 1.00 10.28 C ATOM 454 CG LYS A 29 1.028 -4.303 -7.849 1.00 14.94 C ATOM 455 CD LYS A 29 2.485 -4.139 -7.417 1.00 19.69 C ATOM 456 CE LYS A 29 3.516 -4.154 -8.502 1.00 22.63 C ATOM 457 NZ LYS A 29 3.582 -5.481 -9.181 1.00 24.98 N ATOM 0 H LYS A 29 -0.928 -2.305 -7.132 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.552 -4.959 -7.930 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.345 -3.594 -5.931 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.300 -5.337 -6.103 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.922 -5.199 -8.461 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.728 -3.457 -8.468 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.575 -3.197 -6.876 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.722 -4.936 -6.712 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.284 -3.381 -9.235 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.492 -3.912 -8.081 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.587 -5.344 -10.212 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.450 -5.975 -8.893 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.754 -6.050 -8.912 1.00 24.98 H new ATOM 471 N ILE A 30 -2.790 -4.038 -5.140 1.00 4.57 N ATOM 472 CA ILE A 30 -3.810 -4.451 -4.186 1.00 5.58 C ATOM 473 C ILE A 30 -5.174 -4.663 -4.950 1.00 7.26 C ATOM 474 O ILE A 30 -5.922 -5.616 -4.664 1.00 9.46 O ATOM 475 CB ILE A 30 -3.946 -3.541 -2.952 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.562 -3.515 -2.186 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.057 -4.074 -2.038 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.337 -2.306 -1.318 1.00 2.00 C ATOM 0 H ILE A 30 -2.494 -3.066 -5.049 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.487 -5.398 -3.754 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.209 -2.528 -3.258 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.491 -4.408 -1.565 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.757 -3.572 -2.919 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.151 -3.428 -1.165 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.001 -4.088 -2.583 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.809 -5.085 -1.716 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.362 -2.381 -0.836 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.370 -1.406 -1.932 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.115 -2.255 -0.557 1.00 2.00 H new ATOM 490 N GLN A 31 -5.484 -3.782 -5.919 1.00 7.06 N ATOM 491 CA GLN A 31 -6.650 -3.937 -6.732 1.00 8.67 C ATOM 492 C GLN A 31 -6.671 -5.217 -7.599 1.00 10.90 C ATOM 493 O GLN A 31 -7.681 -5.873 -7.788 1.00 9.63 O ATOM 494 CB GLN A 31 -6.962 -2.695 -7.694 1.00 9.12 C ATOM 495 CG GLN A 31 -8.177 -2.773 -8.675 1.00 10.76 C ATOM 496 CD GLN A 31 -8.403 -1.549 -9.601 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.574 -1.161 -9.691 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.369 -0.950 -10.205 1.00 14.76 N ATOM 0 H GLN A 31 -4.924 -2.959 -6.140 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.428 -4.009 -5.972 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.107 -1.819 -7.062 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.069 -2.512 -8.292 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.052 -3.656 -9.302 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.081 -2.926 -8.086 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.426 -1.321 -10.090 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.524 -0.122 -10.780 1.00 14.76 H new ATOM 507 N ASP A 32 -5.509 -5.597 -8.201 1.00 10.93 N ATOM 508 CA ASP A 32 -5.313 -6.815 -8.851 1.00 14.01 C ATOM 509 C ASP A 32 -5.487 -8.047 -7.935 1.00 14.04 C ATOM 510 O ASP A 32 -6.156 -9.040 -8.235 1.00 13.39 O ATOM 511 CB ASP A 32 -3.865 -6.827 -9.389 1.00 18.01 C ATOM 512 CG ASP A 32 -3.588 -7.804 -10.524 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.506 -8.269 -11.224 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.379 -8.052 -10.777 1.00 26.29 O ATOM 0 H ASP A 32 -4.682 -5.000 -8.217 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.067 -6.890 -9.634 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.616 -5.822 -9.731 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.192 -7.059 -8.563 1.00 18.01 H new ATOM 519 N LYS A 33 -4.872 -8.068 -6.740 1.00 14.22 N ATOM 520 CA LYS A 33 -5.055 -9.152 -5.775 1.00 14.00 C ATOM 521 C LYS A 33 -6.512 -9.280 -5.212 1.00 12.37 C ATOM 522 O LYS A 33 -7.076 -10.337 -5.230 1.00 12.17 O ATOM 523 CB LYS A 33 -4.071 -9.005 -4.627 1.00 18.62 C ATOM 524 CG LYS A 33 -2.714 -9.745 -5.003 1.00 24.00 C ATOM 525 CD LYS A 33 -1.850 -9.943 -3.788 1.00 27.61 C ATOM 526 CE LYS A 33 -0.411 -10.465 -3.896 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.341 -11.792 -4.628 1.00 30.06 N ATOM 0 H LYS A 33 -4.238 -7.335 -6.422 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.864 -10.071 -6.329 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.881 -7.950 -4.428 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.491 -9.431 -3.716 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.937 -10.711 -5.456 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.172 -9.161 -5.747 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.799 -8.982 -3.277 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.385 -10.627 -3.129 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.203 -9.731 -4.417 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.009 -10.580 -2.897 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.648 -12.109 -4.679 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.906 -12.500 -4.117 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.718 -11.678 -5.591 1.00 30.06 H new ATOM 541 N GLU A 34 -7.169 -8.203 -4.771 1.00 10.11 N ATOM 542 CA GLU A 34 -8.392 -8.331 -3.969 1.00 10.07 C ATOM 543 C GLU A 34 -9.529 -7.466 -4.406 1.00 9.32 C ATOM 544 O GLU A 34 -10.637 -7.501 -3.834 1.00 11.61 O ATOM 545 CB GLU A 34 -7.994 -8.129 -2.470 1.00 14.77 C ATOM 546 CG GLU A 34 -7.042 -9.209 -1.927 1.00 18.75 C ATOM 547 CD GLU A 34 -7.747 -10.515 -1.578 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.715 -10.469 -0.703 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.321 -11.639 -2.017 1.00 21.95 O ATOM 0 H GLU A 34 -6.879 -7.242 -4.953 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.802 -9.330 -4.119 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.522 -7.153 -2.358 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.899 -8.117 -1.862 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.269 -9.409 -2.669 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.539 -8.827 -1.038 1.00 18.75 H new ATOM 556 N GLY A 35 -9.355 -6.694 -5.494 1.00 7.22 N ATOM 557 CA GLY A 35 -10.507 -5.986 -6.148 1.00 6.29 C ATOM 558 C GLY A 35 -10.746 -4.567 -5.793 1.00 6.93 C ATOM 559 O GLY A 35 -11.524 -3.805 -6.369 1.00 7.41 O ATOM 0 H GLY A 35 -8.453 -6.537 -5.943 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.363 -6.040 -7.227 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.415 -6.544 -5.920 1.00 6.29 H new ATOM 563 N ILE A 36 -10.022 -4.082 -4.752 1.00 5.86 N ATOM 564 CA ILE A 36 -10.480 -2.841 -4.007 1.00 6.07 C ATOM 565 C ILE A 36 -9.954 -1.637 -4.852 1.00 6.36 C ATOM 566 O ILE A 36 -8.788 -1.638 -5.098 1.00 6.18 O ATOM 567 CB ILE A 36 -9.908 -2.708 -2.537 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.421 -3.830 -1.653 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.409 -1.391 -1.919 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.683 -4.043 -0.289 1.00 9.49 C ATOM 0 H ILE A 36 -9.156 -4.496 -4.408 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.564 -2.881 -3.895 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.820 -2.743 -2.596 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.475 -3.644 -1.445 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.367 -4.760 -2.218 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.019 -1.293 -0.906 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.065 -0.552 -2.523 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.499 -1.394 -1.889 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.143 -4.872 0.248 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.633 -4.269 -0.475 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.758 -3.136 0.311 1.00 9.49 H new ATOM 582 N PRO A 37 -10.756 -0.664 -5.260 1.00 8.65 N ATOM 583 CA PRO A 37 -10.265 0.371 -6.133 1.00 9.18 C ATOM 584 C PRO A 37 -9.189 1.291 -5.460 1.00 9.85 C ATOM 585 O PRO A 37 -9.361 1.547 -4.221 1.00 8.51 O ATOM 586 CB PRO A 37 -11.504 1.138 -6.529 1.00 11.42 C ATOM 587 CG PRO A 37 -12.690 0.232 -6.215 1.00 9.27 C ATOM 588 CD PRO A 37 -12.267 -0.621 -5.118 1.00 8.33 C ATOM 0 HA PRO A 37 -9.738 -0.046 -6.991 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.574 2.075 -5.976 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.480 1.394 -7.588 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.566 0.819 -5.937 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.968 -0.362 -7.086 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.567 -0.212 -4.153 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.705 -1.616 -5.192 1.00 8.33 H new ATOM 596 N PRO A 38 -8.119 1.746 -6.101 1.00 8.71 N ATOM 597 CA PRO A 38 -7.074 2.581 -5.535 1.00 9.08 C ATOM 598 C PRO A 38 -7.547 3.973 -5.144 1.00 9.28 C ATOM 599 O PRO A 38 -6.830 4.614 -4.347 1.00 6.50 O ATOM 600 CB PRO A 38 -6.079 2.738 -6.647 1.00 10.31 C ATOM 601 CG PRO A 38 -6.237 1.497 -7.465 1.00 10.81 C ATOM 602 CD PRO A 38 -7.720 1.178 -7.363 1.00 12.00 C ATOM 0 HA PRO A 38 -6.692 2.118 -4.625 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.281 3.632 -7.238 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.064 2.833 -6.261 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.933 1.659 -8.499 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.626 0.682 -7.077 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.279 1.615 -8.191 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.899 0.103 -7.390 1.00 12.00 H new ATOM 610 N ASP A 39 -8.760 4.394 -5.506 1.00 11.20 N ATOM 611 CA ASP A 39 -9.342 5.579 -4.947 1.00 14.96 C ATOM 612 C ASP A 39 -9.960 5.356 -3.603 1.00 13.99 C ATOM 613 O ASP A 39 -10.282 6.312 -2.898 1.00 13.75 O ATOM 614 CB ASP A 39 -10.443 6.045 -5.921 1.00 24.16 C ATOM 615 CG ASP A 39 -10.022 6.523 -7.314 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.210 7.454 -7.496 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.488 5.938 -8.326 1.00 35.55 O ATOM 0 H ASP A 39 -9.348 3.917 -6.189 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.551 6.317 -4.812 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.144 5.221 -6.050 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.990 6.857 -5.442 1.00 24.16 H new ATOM 622 N GLN A 40 -10.232 4.063 -3.189 1.00 11.60 N ATOM 623 CA GLN A 40 -10.806 3.821 -1.872 1.00 10.76 C ATOM 624 C GLN A 40 -9.681 3.230 -1.031 1.00 8.01 C ATOM 625 O GLN A 40 -9.806 2.841 0.144 1.00 8.96 O ATOM 626 CB GLN A 40 -11.903 2.755 -2.034 1.00 11.14 C ATOM 627 CG GLN A 40 -12.544 2.060 -0.843 1.00 14.85 C ATOM 628 CD GLN A 40 -13.730 1.131 -1.280 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.789 -0.119 -1.268 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.859 1.820 -1.644 1.00 18.16 N ATOM 0 H GLN A 40 -10.060 3.226 -3.746 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.219 4.723 -1.421 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.712 3.222 -2.596 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.486 1.971 -2.666 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.793 1.469 -0.320 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.908 2.808 -0.139 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.849 2.840 -1.666 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.708 1.313 -1.893 1.00 18.16 H new ATOM 639 N GLN A 41 -8.434 3.210 -1.467 1.00 6.52 N ATOM 640 CA GLN A 41 -7.352 2.621 -0.673 1.00 3.87 C ATOM 641 C GLN A 41 -6.496 3.691 -0.019 1.00 4.79 C ATOM 642 O GLN A 41 -6.104 4.558 -0.776 1.00 6.34 O ATOM 643 CB GLN A 41 -6.396 1.731 -1.607 1.00 4.20 C ATOM 644 CG GLN A 41 -6.971 0.456 -2.094 1.00 3.20 C ATOM 645 CD GLN A 41 -5.871 -0.268 -2.792 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.684 -0.256 -2.494 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.292 -0.806 -3.982 1.00 7.13 N ATOM 0 H GLN A 41 -8.138 3.593 -2.365 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.820 2.007 0.097 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.105 2.329 -2.471 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.485 1.508 -1.052 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.359 -0.136 -1.265 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.805 0.641 -2.772 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.284 -0.809 -4.217 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.613 -1.203 -4.631 1.00 7.13 H new ATOM 656 N ARG A 42 -6.186 3.573 1.282 1.00 5.73 N ATOM 657 CA ARG A 42 -5.218 4.327 2.020 1.00 6.97 C ATOM 658 C ARG A 42 -4.168 3.297 2.474 1.00 7.15 C ATOM 659 O ARG A 42 -4.523 2.128 2.715 1.00 7.33 O ATOM 660 CB ARG A 42 -5.861 5.151 3.163 1.00 13.23 C ATOM 661 CG ARG A 42 -6.794 6.263 2.665 1.00 21.27 C ATOM 662 CD ARG A 42 -6.874 7.487 3.541 1.00 26.14 C ATOM 663 NE ARG A 42 -7.414 8.663 2.741 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.589 9.229 2.914 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.419 8.810 3.879 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.068 10.226 2.130 1.00 36.39 N ATOM 0 H ARG A 42 -6.656 2.887 1.872 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.741 5.100 1.417 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.423 4.480 3.813 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.071 5.594 3.769 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.466 6.570 1.672 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.797 5.850 2.556 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.520 7.291 4.397 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.887 7.727 3.936 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.815 9.045 2.009 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.143 8.043 4.491 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.327 9.259 4.001 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.508 10.578 1.354 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.989 10.624 2.316 1.00 36.39 H new ATOM 680 N LEU A 43 -2.892 3.672 2.608 1.00 4.65 N ATOM 681 CA LEU A 43 -1.907 2.741 3.141 1.00 3.51 C ATOM 682 C LEU A 43 -1.138 3.390 4.292 1.00 5.56 C ATOM 683 O LEU A 43 -0.650 4.531 4.188 1.00 4.19 O ATOM 684 CB LEU A 43 -0.921 2.289 1.981 1.00 3.74 C ATOM 685 CG LEU A 43 -1.538 1.333 0.956 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.703 1.151 -0.296 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.902 -0.073 1.499 1.00 6.41 C ATOM 0 H LEU A 43 -2.528 4.592 2.360 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.414 1.858 3.530 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.563 3.177 1.460 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.051 1.809 2.428 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.464 1.851 0.707 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.207 0.460 -0.972 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.574 2.114 -0.791 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.273 0.748 -0.027 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.331 -0.673 0.697 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.003 -0.561 1.876 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.627 0.025 2.307 1.00 6.41 H new ATOM 699 N ILE A 44 -0.915 2.635 5.368 1.00 4.58 N ATOM 700 CA ILE A 44 -0.119 3.129 6.507 1.00 5.55 C ATOM 701 C ILE A 44 1.040 2.205 6.826 1.00 5.46 C ATOM 702 O ILE A 44 0.911 1.008 6.967 1.00 6.04 O ATOM 703 CB ILE A 44 -1.009 3.276 7.759 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.119 4.333 7.501 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.080 3.682 8.940 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.032 4.695 8.726 1.00 13.90 C ATOM 0 H ILE A 44 -1.269 1.685 5.481 1.00 4.58 H new ATOM 0 HA ILE A 44 0.284 4.101 6.222 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.516 2.342 8.000 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.645 5.248 7.146 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.756 3.970 6.695 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.673 3.796 9.847 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.672 2.908 9.094 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.413 4.626 8.707 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.767 5.441 8.424 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.546 3.799 9.074 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.417 5.096 9.532 1.00 13.90 H new ATOM 718 N PHE A 45 2.256 2.777 6.967 1.00 6.75 N ATOM 719 CA PHE A 45 3.451 2.098 7.442 1.00 4.70 C ATOM 720 C PHE A 45 4.049 2.936 8.580 1.00 6.34 C ATOM 721 O PHE A 45 4.514 4.046 8.340 1.00 5.45 O ATOM 722 CB PHE A 45 4.488 1.733 6.297 1.00 5.51 C ATOM 723 CG PHE A 45 5.796 1.196 6.818 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.985 -0.198 7.113 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.863 2.068 7.008 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.185 -0.619 7.672 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.083 1.613 7.593 1.00 6.64 C ATOM 728 CZ PHE A 45 8.224 0.321 7.943 1.00 6.84 C ATOM 0 H PHE A 45 2.423 3.758 6.742 1.00 6.75 H new ATOM 0 HA PHE A 45 3.174 1.116 7.826 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.039 0.993 5.634 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.683 2.622 5.697 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.202 -0.911 6.902 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.767 3.101 6.709 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.332 -1.664 7.903 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.895 2.307 7.755 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.129 -0.006 8.432 1.00 6.84 H new ATOM 738 N ALA A 46 4.133 2.378 9.831 1.00 6.53 N ATOM 739 CA ALA A 46 4.770 2.996 10.963 1.00 7.15 C ATOM 740 C ALA A 46 4.099 4.316 11.395 1.00 9.00 C ATOM 741 O ALA A 46 4.766 5.256 11.815 1.00 11.15 O ATOM 742 CB ALA A 46 6.304 3.102 10.695 1.00 8.99 C ATOM 0 H ALA A 46 3.739 1.463 10.048 1.00 6.53 H new ATOM 0 HA ALA A 46 4.635 2.359 11.837 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.791 3.570 11.550 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.717 2.105 10.543 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.477 3.706 9.804 1.00 8.99 H new ATOM 748 N GLY A 47 2.766 4.355 11.341 1.00 9.35 N ATOM 749 CA GLY A 47 1.991 5.555 11.666 1.00 11.68 C ATOM 750 C GLY A 47 1.977 6.713 10.659 1.00 11.14 C ATOM 751 O GLY A 47 1.499 7.776 10.994 1.00 13.93 O ATOM 0 H GLY A 47 2.193 3.556 11.071 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.958 5.248 11.832 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.364 5.944 12.613 1.00 11.68 H new ATOM 755 N LYS A 48 2.517 6.439 9.511 1.00 10.47 N ATOM 756 CA LYS A 48 2.701 7.359 8.362 1.00 8.82 C ATOM 757 C LYS A 48 1.822 6.889 7.211 1.00 7.68 C ATOM 758 O LYS A 48 1.897 5.732 6.871 1.00 6.47 O ATOM 759 CB LYS A 48 4.177 7.405 7.970 1.00 9.74 C ATOM 760 CG LYS A 48 4.428 8.532 6.989 1.00 14.14 C ATOM 761 CD LYS A 48 5.840 8.665 6.483 1.00 16.32 C ATOM 762 CE LYS A 48 6.809 9.144 7.544 1.00 20.04 C ATOM 763 NZ LYS A 48 8.207 9.258 7.036 1.00 23.92 N ATOM 0 H LYS A 48 2.876 5.506 9.308 1.00 10.47 H new ATOM 0 HA LYS A 48 2.403 8.372 8.630 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.792 7.545 8.859 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.471 6.455 7.525 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.768 8.395 6.133 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.144 9.471 7.464 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.175 7.700 6.102 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.855 9.361 5.645 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.482 10.114 7.918 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.788 8.454 8.388 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.829 9.589 7.801 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.533 8.328 6.704 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.236 9.937 6.248 1.00 23.92 H new ATOM 777 N GLN A 49 0.987 7.765 6.613 1.00 8.89 N ATOM 778 CA GLN A 49 0.064 7.297 5.575 1.00 7.18 C ATOM 779 C GLN A 49 0.631 7.709 4.188 1.00 8.23 C ATOM 780 O GLN A 49 1.007 8.883 3.913 1.00 9.70 O ATOM 781 CB GLN A 49 -1.282 7.959 5.800 1.00 11.67 C ATOM 782 CG GLN A 49 -2.497 7.369 4.986 1.00 15.82 C ATOM 783 CD GLN A 49 -3.817 7.863 5.550 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.627 7.104 6.040 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.088 9.212 5.430 1.00 20.67 N ATOM 0 H GLN A 49 0.937 8.762 6.825 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.050 6.214 5.613 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.520 7.898 6.862 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.188 9.017 5.555 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.413 7.659 3.939 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.468 6.280 5.019 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.396 9.836 5.016 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.980 9.584 5.756 1.00 20.67 H new ATOM 794 N LEU A 50 0.797 6.696 3.299 1.00 6.51 N ATOM 795 CA LEU A 50 1.593 6.821 2.096 1.00 7.41 C ATOM 796 C LEU A 50 0.855 7.419 0.955 1.00 8.27 C ATOM 797 O LEU A 50 -0.234 7.010 0.564 1.00 8.34 O ATOM 798 CB LEU A 50 2.364 5.543 1.735 1.00 7.13 C ATOM 799 CG LEU A 50 2.866 4.703 2.916 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.174 3.277 2.312 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.099 5.294 3.652 1.00 9.11 C ATOM 0 H LEU A 50 0.373 5.776 3.416 1.00 6.51 H new ATOM 0 HA LEU A 50 2.364 7.551 2.341 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.720 4.917 1.117 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.222 5.821 1.122 1.00 7.13 H new ATOM 0 HG LEU A 50 2.105 4.674 3.696 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.539 2.619 3.101 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.263 2.859 1.883 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.933 3.367 1.535 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.384 4.634 4.472 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.931 5.385 2.953 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.849 6.278 4.048 1.00 9.11 H new ATOM 813 N GLU A 51 1.488 8.358 0.268 1.00 9.43 N ATOM 814 CA GLU A 51 0.994 9.143 -0.815 1.00 11.90 C ATOM 815 C GLU A 51 1.363 8.549 -2.198 1.00 11.49 C ATOM 816 O GLU A 51 2.520 8.353 -2.599 1.00 9.88 O ATOM 817 CB GLU A 51 1.532 10.572 -0.818 1.00 16.56 C ATOM 818 CG GLU A 51 1.410 11.381 0.503 1.00 26.06 C ATOM 819 CD GLU A 51 1.799 12.808 0.404 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.977 13.120 0.130 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.929 13.720 0.680 1.00 33.44 O ATOM 0 H GLU A 51 2.454 8.600 0.490 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.085 9.141 -0.660 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.585 10.535 -1.095 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.015 11.126 -1.602 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.379 11.325 0.851 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.029 10.903 1.262 1.00 26.06 H new ATOM 828 N ASP A 52 0.302 8.284 -3.003 1.00 12.71 N ATOM 829 CA ASP A 52 0.217 7.501 -4.205 1.00 16.56 C ATOM 830 C ASP A 52 1.396 7.764 -5.162 1.00 15.83 C ATOM 831 O ASP A 52 2.043 6.801 -5.580 1.00 17.21 O ATOM 832 CB ASP A 52 -1.081 7.876 -4.878 1.00 21.05 C ATOM 833 CG ASP A 52 -2.254 7.312 -4.099 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.225 7.263 -2.873 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.214 6.849 -4.772 1.00 28.37 O ATOM 0 H ASP A 52 -0.611 8.675 -2.772 1.00 12.71 H new ATOM 0 HA ASP A 52 0.256 6.442 -3.952 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.166 8.961 -4.943 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.094 7.493 -5.898 1.00 21.05 H new ATOM 840 N GLY A 53 1.726 9.038 -5.498 1.00 15.00 N ATOM 841 CA GLY A 53 2.793 9.265 -6.459 1.00 11.77 C ATOM 842 C GLY A 53 4.262 9.022 -6.086 1.00 11.10 C ATOM 843 O GLY A 53 5.043 8.800 -6.995 1.00 11.25 O ATOM 0 H GLY A 53 1.281 9.878 -5.128 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.578 8.642 -7.327 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.714 10.303 -6.783 1.00 11.77 H new ATOM 847 N ARG A 54 4.552 8.940 -4.776 1.00 8.53 N ATOM 848 CA ARG A 54 5.832 8.796 -4.238 1.00 9.05 C ATOM 849 C ARG A 54 6.303 7.380 -4.219 1.00 8.96 C ATOM 850 O ARG A 54 5.534 6.444 -4.064 1.00 11.60 O ATOM 851 CB ARG A 54 6.018 9.402 -2.866 1.00 7.97 C ATOM 852 CG ARG A 54 5.577 10.866 -2.778 1.00 9.62 C ATOM 853 CD ARG A 54 5.850 11.405 -1.401 1.00 12.20 C ATOM 854 NE ARG A 54 5.142 12.738 -1.295 1.00 18.23 N ATOM 855 CZ ARG A 54 5.406 13.826 -2.028 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.499 13.918 -2.790 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.555 14.817 -2.029 1.00 23.38 N ATOM 0 H ARG A 54 3.828 8.979 -4.059 1.00 8.53 H new ATOM 0 HA ARG A 54 6.449 9.370 -4.929 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.454 8.817 -2.140 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.069 9.330 -2.586 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.109 11.460 -3.522 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.514 10.948 -3.005 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.488 10.715 -0.639 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.921 11.524 -1.240 1.00 12.20 H new ATOM 0 HE ARG A 54 4.397 12.814 -0.603 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.163 13.144 -2.825 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.670 14.762 -3.337 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.701 14.756 -1.475 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.745 15.652 -2.584 1.00 23.38 H new ATOM 871 N THR A 55 7.647 7.151 -4.258 1.00 9.05 N ATOM 872 CA THR A 55 8.230 5.818 -4.376 1.00 9.03 C ATOM 873 C THR A 55 8.492 5.256 -2.994 1.00 8.15 C ATOM 874 O THR A 55 8.556 5.883 -1.920 1.00 5.91 O ATOM 875 CB THR A 55 9.594 5.779 -5.153 1.00 11.15 C ATOM 876 OG1 THR A 55 10.562 6.618 -4.615 1.00 11.95 O ATOM 877 CG2 THR A 55 9.325 6.056 -6.642 1.00 11.71 C ATOM 0 H THR A 55 8.341 7.897 -4.207 1.00 9.05 H new ATOM 0 HA THR A 55 7.504 5.233 -4.940 1.00 9.03 H new ATOM 0 HB THR A 55 10.022 4.782 -5.047 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.424 6.151 -4.593 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.266 6.032 -7.192 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.653 5.295 -7.038 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.866 7.038 -6.752 1.00 11.71 H new ATOM 885 N LEU A 56 8.585 3.888 -2.974 1.00 6.91 N ATOM 886 CA LEU A 56 8.961 3.110 -1.837 1.00 8.29 C ATOM 887 C LEU A 56 10.437 3.380 -1.458 1.00 8.05 C ATOM 888 O LEU A 56 10.787 3.428 -0.281 1.00 10.17 O ATOM 889 CB LEU A 56 8.830 1.588 -2.215 1.00 6.60 C ATOM 890 CG LEU A 56 7.373 1.088 -2.406 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.452 -0.153 -3.320 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.567 0.833 -1.137 1.00 8.64 C ATOM 0 H LEU A 56 8.386 3.317 -3.795 1.00 6.91 H new ATOM 0 HA LEU A 56 8.317 3.373 -0.998 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.385 1.408 -3.136 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.304 0.992 -1.435 1.00 6.60 H new ATOM 0 HG LEU A 56 6.799 1.897 -2.858 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.449 -0.546 -3.487 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.896 0.126 -4.275 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.067 -0.917 -2.844 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.568 0.488 -1.404 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.065 0.072 -0.536 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.491 1.756 -0.563 1.00 8.64 H new ATOM 904 N SER A 57 11.320 3.639 -2.454 1.00 8.92 N ATOM 905 CA SER A 57 12.611 4.229 -2.215 1.00 9.00 C ATOM 906 C SER A 57 12.669 5.549 -1.481 1.00 9.44 C ATOM 907 O SER A 57 13.547 5.835 -0.702 1.00 10.91 O ATOM 908 CB SER A 57 13.480 4.269 -3.487 1.00 10.32 C ATOM 909 OG SER A 57 12.931 5.045 -4.616 1.00 13.59 O ATOM 0 H SER A 57 11.134 3.436 -3.436 1.00 8.92 H new ATOM 0 HA SER A 57 13.032 3.530 -1.492 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.454 4.683 -3.226 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.648 3.245 -3.822 1.00 10.32 H new ATOM 0 HG SER A 57 13.555 5.010 -5.371 1.00 13.59 H new ATOM 915 N ASP A 58 11.726 6.470 -1.770 1.00 9.11 N ATOM 916 CA ASP A 58 11.604 7.810 -1.136 1.00 7.91 C ATOM 917 C ASP A 58 11.158 7.677 0.343 1.00 9.12 C ATOM 918 O ASP A 58 11.680 8.376 1.168 1.00 8.61 O ATOM 919 CB ASP A 58 10.695 8.734 -1.997 1.00 8.41 C ATOM 920 CG ASP A 58 10.812 10.183 -1.523 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.932 10.730 -1.284 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.755 10.803 -1.305 1.00 10.05 O ATOM 0 H ASP A 58 11.005 6.302 -2.471 1.00 9.11 H new ATOM 0 HA ASP A 58 12.580 8.295 -1.104 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.982 8.663 -3.046 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.659 8.404 -1.927 1.00 8.41 H new ATOM 927 N TYR A 59 10.243 6.750 0.636 1.00 7.97 N ATOM 928 CA TYR A 59 9.696 6.472 1.994 1.00 8.45 C ATOM 929 C TYR A 59 10.593 5.476 2.712 1.00 10.98 C ATOM 930 O TYR A 59 10.422 5.156 3.855 1.00 12.95 O ATOM 931 CB TYR A 59 8.269 5.864 1.963 1.00 7.94 C ATOM 932 CG TYR A 59 7.154 6.815 1.792 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.792 7.621 2.876 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.371 6.881 0.612 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.825 8.608 2.744 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.343 7.802 0.491 1.00 6.52 C ATOM 937 CZ TYR A 59 5.087 8.613 1.591 1.00 6.76 C ATOM 938 OH TYR A 59 4.039 9.446 1.431 1.00 7.63 O ATOM 0 H TYR A 59 9.840 6.145 -0.079 1.00 7.97 H new ATOM 0 HA TYR A 59 9.654 7.433 2.507 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.225 5.137 1.152 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.111 5.316 2.892 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.273 7.473 3.832 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.579 6.204 -0.204 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.662 9.342 3.519 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.766 7.886 -0.418 1.00 6.52 H new ATOM 0 HH TYR A 59 4.364 10.338 1.188 1.00 7.63 H new ATOM 948 N ASN A 60 11.609 4.982 2.032 1.00 12.38 N ATOM 949 CA ASN A 60 12.590 3.966 2.505 1.00 13.94 C ATOM 950 C ASN A 60 12.059 2.613 2.972 1.00 14.16 C ATOM 951 O ASN A 60 12.484 2.122 4.052 1.00 14.26 O ATOM 952 CB ASN A 60 13.455 4.530 3.701 1.00 19.23 C ATOM 953 CG ASN A 60 14.122 5.846 3.501 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.977 6.809 4.215 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.945 5.938 2.416 1.00 24.09 N ATOM 0 H ASN A 60 11.802 5.282 1.077 1.00 12.38 H new ATOM 0 HA ASN A 60 13.153 3.779 1.591 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.810 4.609 4.576 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.224 3.795 3.937 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.429 6.813 2.216 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.076 5.132 1.805 1.00 24.09 H new ATOM 962 N ILE A 61 11.104 2.030 2.287 1.00 11.08 N ATOM 963 CA ILE A 61 10.373 0.914 2.806 1.00 11.78 C ATOM 964 C ILE A 61 11.060 -0.304 2.281 1.00 13.74 C ATOM 965 O ILE A 61 10.766 -0.713 1.147 1.00 14.60 O ATOM 966 CB ILE A 61 8.873 0.942 2.582 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.228 2.338 2.882 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.212 -0.109 3.428 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.888 2.683 2.367 1.00 11.42 C ATOM 0 H ILE A 61 10.816 2.322 1.353 1.00 11.08 H new ATOM 0 HA ILE A 61 10.396 0.936 3.896 1.00 11.78 H new ATOM 0 HB ILE A 61 8.712 0.739 1.523 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.191 2.446 3.966 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.918 3.095 2.509 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.135 -0.084 3.263 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.598 -1.091 3.156 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.423 0.085 4.480 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.625 3.692 2.685 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.893 2.636 1.278 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.155 1.977 2.757 1.00 11.42 H new ATOM 981 N GLN A 62 12.007 -0.858 3.085 1.00 13.97 N ATOM 982 CA GLN A 62 12.781 -2.040 2.731 1.00 15.52 C ATOM 983 C GLN A 62 11.945 -3.307 2.794 1.00 13.94 C ATOM 984 O GLN A 62 11.011 -3.476 3.574 1.00 12.15 O ATOM 985 CB GLN A 62 13.958 -2.092 3.821 1.00 19.53 C ATOM 986 CG GLN A 62 14.901 -0.897 3.854 1.00 26.38 C ATOM 987 CD GLN A 62 15.517 -0.632 2.484 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.546 0.460 1.910 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.073 -1.708 1.843 1.00 32.71 N ATOM 0 H GLN A 62 12.243 -0.480 4.002 1.00 13.97 H new ATOM 0 HA GLN A 62 13.151 -1.982 1.707 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.506 -2.199 4.807 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.550 -2.990 3.643 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.358 -0.013 4.187 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.693 -1.077 4.581 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.067 -2.626 2.288 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.493 -1.591 0.921 1.00 32.71 H new ATOM 998 N LYS A 63 12.343 -4.267 1.949 1.00 11.73 N ATOM 999 CA LYS A 63 11.738 -5.569 1.737 1.00 11.97 C ATOM 1000 C LYS A 63 11.368 -6.283 3.012 1.00 10.41 C ATOM 1001 O LYS A 63 12.066 -6.272 4.019 1.00 9.59 O ATOM 1002 CB LYS A 63 12.579 -6.406 0.774 1.00 13.73 C ATOM 1003 CG LYS A 63 13.888 -6.859 1.410 1.00 16.98 C ATOM 1004 CD LYS A 63 14.872 -7.254 0.391 1.00 20.19 C ATOM 1005 CE LYS A 63 16.214 -7.726 0.961 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.006 -8.986 1.710 1.00 25.97 N ATOM 0 H LYS A 63 13.161 -4.133 1.354 1.00 11.73 H new ATOM 0 HA LYS A 63 10.775 -5.403 1.254 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.008 -7.279 0.458 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.793 -5.823 -0.122 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.297 -6.052 2.019 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.698 -7.698 2.079 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.447 -8.053 -0.217 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.050 -6.408 -0.273 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.931 -7.882 0.155 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.633 -6.963 1.617 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.926 -9.427 1.910 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.518 -8.781 2.605 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.427 -9.636 1.141 1.00 25.97 H new ATOM 1020 N GLU A 64 10.136 -6.905 2.977 1.00 10.04 N ATOM 1021 CA GLU A 64 9.600 -7.745 4.051 1.00 10.94 C ATOM 1022 C GLU A 64 8.867 -6.955 5.151 1.00 9.74 C ATOM 1023 O GLU A 64 8.553 -7.486 6.253 1.00 9.42 O ATOM 1024 CB GLU A 64 10.586 -8.875 4.451 1.00 18.31 C ATOM 1025 CG GLU A 64 11.144 -9.667 3.222 1.00 24.16 C ATOM 1026 CD GLU A 64 12.163 -10.751 3.585 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.620 -10.817 4.758 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.451 -11.661 2.716 1.00 32.61 O ATOM 0 H GLU A 64 9.502 -6.819 2.183 1.00 10.04 H new ATOM 0 HA GLU A 64 8.757 -8.320 3.668 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.419 -8.443 5.006 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.081 -9.568 5.124 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.311 -10.130 2.693 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.609 -8.964 2.531 1.00 24.16 H new ATOM 1035 N SER A 65 8.539 -5.663 4.848 1.00 6.85 N ATOM 1036 CA SER A 65 7.821 -4.796 5.716 1.00 6.90 C ATOM 1037 C SER A 65 6.342 -5.038 5.713 1.00 4.72 C ATOM 1038 O SER A 65 5.722 -5.252 4.669 1.00 3.91 O ATOM 1039 CB SER A 65 8.073 -3.289 5.408 1.00 7.28 C ATOM 1040 OG SER A 65 9.284 -2.933 6.020 1.00 10.56 O ATOM 0 H SER A 65 8.792 -5.225 3.962 1.00 6.85 H new ATOM 0 HA SER A 65 8.212 -5.035 6.705 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.122 -3.120 4.332 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.256 -2.677 5.790 1.00 7.28 H new ATOM 0 HG SER A 65 10.018 -3.039 5.379 1.00 10.56 H new ATOM 1046 N THR A 66 5.719 -4.815 6.890 1.00 4.48 N ATOM 1047 CA THR A 66 4.291 -4.790 7.059 1.00 3.80 C ATOM 1048 C THR A 66 3.607 -3.463 6.823 1.00 4.60 C ATOM 1049 O THR A 66 3.730 -2.502 7.638 1.00 5.33 O ATOM 1050 CB THR A 66 3.871 -5.260 8.444 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.390 -6.614 8.700 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.301 -5.376 8.704 1.00 3.40 C ATOM 0 H THR A 66 6.228 -4.646 7.757 1.00 4.48 H new ATOM 0 HA THR A 66 3.965 -5.471 6.273 1.00 3.80 H new ATOM 0 HB THR A 66 4.275 -4.484 9.095 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.115 -6.906 9.594 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.125 -5.719 9.723 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.836 -4.400 8.565 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.867 -6.088 8.002 1.00 3.40 H new ATOM 1060 N LEU A 67 2.821 -3.353 5.714 1.00 4.17 N ATOM 1061 CA LEU A 67 2.028 -2.207 5.467 1.00 3.85 C ATOM 1062 C LEU A 67 0.609 -2.554 5.852 1.00 3.80 C ATOM 1063 O LEU A 67 0.169 -3.714 5.953 1.00 5.54 O ATOM 1064 CB LEU A 67 2.041 -1.744 3.960 1.00 7.18 C ATOM 1065 CG LEU A 67 3.385 -1.814 3.171 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.171 -1.331 1.768 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.561 -1.061 3.742 1.00 11.66 C ATOM 0 H LEU A 67 2.749 -4.074 4.996 1.00 4.17 H new ATOM 0 HA LEU A 67 2.438 -1.382 6.049 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.309 -2.346 3.422 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.691 -0.712 3.927 1.00 7.18 H new ATOM 0 HG LEU A 67 3.658 -2.867 3.234 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.111 -1.381 1.219 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.429 -1.960 1.276 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.817 -0.300 1.788 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.428 -1.195 3.095 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.317 -0.001 3.807 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.789 -1.442 4.737 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.206 -1.578 6.131 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.565 -1.729 6.570 1.00 4.17 C ATOM 1081 C HIS A 68 -2.490 -1.037 5.634 1.00 5.32 C ATOM 1082 O HIS A 68 -2.268 0.102 5.226 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.761 -1.005 7.933 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.915 -1.545 8.981 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.491 -1.268 9.063 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.172 -2.512 9.904 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.927 -2.141 10.041 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.022 -2.847 10.605 1.00 16.30 N ATOM 0 H HIS A 68 0.075 -0.600 6.054 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.769 -2.798 6.631 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.547 0.057 7.810 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.805 -1.087 8.236 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.036 -0.591 8.529 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.141 -2.959 10.069 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.967 -2.234 10.318 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.563 -1.704 5.262 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.504 -1.236 4.307 1.00 3.97 C ATOM 1098 C LEU A 69 -5.664 -0.663 5.064 1.00 5.07 C ATOM 1099 O LEU A 69 -6.422 -1.366 5.733 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.894 -2.377 3.323 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.032 -2.034 2.287 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.547 -0.977 1.265 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.531 -3.320 1.698 1.00 9.96 C ATOM 0 H LEU A 69 -3.798 -2.621 5.641 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.086 -0.450 3.677 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.003 -2.674 2.770 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.209 -3.242 3.907 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.886 -1.557 2.768 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.349 -0.757 0.561 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.265 -0.065 1.791 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.684 -1.364 0.723 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.320 -3.108 0.977 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.710 -3.833 1.197 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.925 -3.955 2.491 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.857 0.628 4.953 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.878 1.421 5.546 1.00 6.26 C ATOM 1117 C VAL A 70 -7.897 1.722 4.365 1.00 9.22 C ATOM 1118 O VAL A 70 -7.499 2.262 3.347 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.274 2.721 6.076 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.383 3.513 6.668 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.184 2.302 7.148 1.00 8.54 C ATOM 0 H VAL A 70 -5.231 1.198 4.383 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.364 0.923 6.385 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.797 3.333 5.311 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.991 4.452 7.059 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.130 3.722 5.902 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.843 2.947 7.478 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.718 3.196 7.562 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.660 1.737 7.950 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.423 1.684 6.671 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.172 1.465 4.575 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.213 1.744 3.571 1.00 16.06 C ATOM 1133 C LEU A 71 -10.929 3.050 3.907 1.00 18.09 C ATOM 1134 O LEU A 71 -10.822 3.691 4.978 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.087 0.516 3.247 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.288 -0.693 2.731 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.325 -1.720 2.278 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.298 -0.356 1.578 1.00 19.57 C ATOM 0 H LEU A 71 -9.529 1.058 5.440 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.751 1.927 2.601 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.633 0.223 4.144 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.829 0.796 2.499 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.648 -1.069 3.530 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.817 -2.607 1.899 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.956 -1.997 3.122 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.942 -1.290 1.489 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.774 -1.262 1.272 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.851 0.048 0.730 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.574 0.382 1.924 1.00 19.57 H new