USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 491 hydrogens (4 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 24 MET CE :methyl 159:sc=-0.00777 (180deg=-0.378) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot 179:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0588) USER MOD Single : A 1 LEU N :NH3+ -164:sc= -0.167 (180deg=-0.632) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0461 (180deg=-0.376) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.38 K(o=-2.4,f=-7.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0429) USER MOD Single : A 45 SER OG : rot 180:sc= 0.23 USER MOD Single : A 46 SER OG : rot -28:sc= 1.52 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 84:sc= 1.44 USER MOD Single : A 55 ASN : amide:sc= -0.736 K(o=-0.74,f=-0.21) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 60 ASN : amide:sc= -4! C(o=-4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.471 14.421 -4.953 1.00 0.00 N ATOM 2 CA LEU A 1 2.306 13.861 -4.290 1.00 0.00 C ATOM 3 C LEU A 1 1.626 12.858 -5.225 1.00 0.00 C ATOM 4 O LEU A 1 0.465 13.033 -5.589 1.00 0.00 O ATOM 5 CB LEU A 1 1.378 14.975 -3.804 1.00 0.00 C ATOM 6 CG LEU A 1 2.057 16.160 -3.114 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.054 17.280 -2.834 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.785 15.712 -1.845 1.00 0.00 C ATOM 0 H1 LEU A 1 4.082 14.884 -4.250 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.001 13.661 -5.425 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.166 15.120 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 1 2.603 13.314 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.816 15.351 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.655 14.543 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 1 2.809 16.564 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.563 18.110 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.621 17.624 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.262 16.905 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.259 16.573 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.070 15.268 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.546 14.975 -2.103 1.00 0.00 H new ATOM 20 N LYS A 2 2.379 11.829 -5.586 1.00 0.00 N ATOM 21 CA LYS A 2 1.863 10.799 -6.471 1.00 0.00 C ATOM 22 C LYS A 2 2.193 9.422 -5.891 1.00 0.00 C ATOM 23 O LYS A 2 3.341 9.152 -5.539 1.00 0.00 O ATOM 24 CB LYS A 2 2.383 11.007 -7.895 1.00 0.00 C ATOM 25 CG LYS A 2 3.909 11.108 -7.913 1.00 0.00 C ATOM 26 CD LYS A 2 4.440 11.143 -9.347 1.00 0.00 C ATOM 27 CE LYS A 2 5.969 11.204 -9.365 1.00 0.00 C ATOM 28 NZ LYS A 2 6.472 11.211 -10.757 1.00 0.00 N ATOM 0 H LYS A 2 3.342 11.687 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 2 0.777 10.865 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.062 10.179 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.950 11.915 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.224 12.007 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.339 10.258 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.102 10.258 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.032 12.009 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.309 12.099 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.379 10.349 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.511 11.253 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.163 10.344 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.095 12.041 -11.258 1.00 0.00 H new ATOM 42 N CYS A 3 1.167 8.588 -5.809 1.00 0.00 N ATOM 43 CA CYS A 3 1.334 7.246 -5.278 1.00 0.00 C ATOM 44 C CYS A 3 0.628 6.267 -6.217 1.00 0.00 C ATOM 45 O CYS A 3 -0.046 6.680 -7.159 1.00 0.00 O ATOM 46 CB CYS A 3 0.813 7.138 -3.843 1.00 0.00 C ATOM 47 SG CYS A 3 1.066 8.633 -2.819 1.00 0.00 S ATOM 0 H CYS A 3 0.217 8.816 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 3 2.395 7.000 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.253 6.913 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.303 6.295 -3.356 1.00 0.00 H new ATOM 52 N LYS A 4 0.806 4.986 -5.928 1.00 0.00 N ATOM 53 CA LYS A 4 0.195 3.944 -6.735 1.00 0.00 C ATOM 54 C LYS A 4 -1.180 3.600 -6.159 1.00 0.00 C ATOM 55 O LYS A 4 -1.418 3.775 -4.965 1.00 0.00 O ATOM 56 CB LYS A 4 1.131 2.740 -6.854 1.00 0.00 C ATOM 57 CG LYS A 4 2.506 3.163 -7.375 1.00 0.00 C ATOM 58 CD LYS A 4 3.307 1.951 -7.856 1.00 0.00 C ATOM 59 CE LYS A 4 3.496 0.936 -6.727 1.00 0.00 C ATOM 60 NZ LYS A 4 4.170 1.567 -5.570 1.00 0.00 N ATOM 0 H LYS A 4 1.365 4.646 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 4 0.035 4.296 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.239 2.261 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.695 2.001 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.386 3.872 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.055 3.677 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.792 1.479 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.280 2.276 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.528 0.540 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.087 0.092 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.518 0.828 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.971 2.139 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.495 2.177 -5.066 1.00 0.00 H new ATOM 74 N LYS A 5 -2.049 3.116 -7.034 1.00 0.00 N ATOM 75 CA LYS A 5 -3.394 2.746 -6.628 1.00 0.00 C ATOM 76 C LYS A 5 -3.405 1.279 -6.194 1.00 0.00 C ATOM 77 O LYS A 5 -2.355 0.703 -5.912 1.00 0.00 O ATOM 78 CB LYS A 5 -4.397 3.067 -7.738 1.00 0.00 C ATOM 79 CG LYS A 5 -4.378 4.558 -8.080 1.00 0.00 C ATOM 80 CD LYS A 5 -5.781 5.058 -8.428 1.00 0.00 C ATOM 81 CE LYS A 5 -6.156 4.685 -9.863 1.00 0.00 C ATOM 82 NZ LYS A 5 -7.532 5.135 -10.173 1.00 0.00 N ATOM 0 H LYS A 5 -1.848 2.971 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.708 3.336 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.160 2.483 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.399 2.775 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.986 5.124 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.707 4.734 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.506 4.629 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.826 6.140 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.452 5.141 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.081 3.606 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.771 4.874 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.201 4.680 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.592 6.168 -10.066 1.00 0.00 H new ATOM 96 N LEU A 6 -4.604 0.716 -6.154 1.00 0.00 N ATOM 97 CA LEU A 6 -4.765 -0.673 -5.759 1.00 0.00 C ATOM 98 C LEU A 6 -3.828 -1.548 -6.594 1.00 0.00 C ATOM 99 O LEU A 6 -3.161 -2.434 -6.060 1.00 0.00 O ATOM 100 CB LEU A 6 -6.235 -1.088 -5.848 1.00 0.00 C ATOM 101 CG LEU A 6 -7.102 -0.753 -4.632 1.00 0.00 C ATOM 102 CD1 LEU A 6 -6.868 -1.756 -3.501 1.00 0.00 C ATOM 103 CD2 LEU A 6 -6.873 0.689 -4.176 1.00 0.00 C ATOM 0 H LEU A 6 -5.473 1.196 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.482 -0.807 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.674 -0.611 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.279 -2.164 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.149 -0.835 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.496 -1.496 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.121 -2.759 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.820 -1.729 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.501 0.901 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.826 0.823 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.129 1.372 -4.986 1.00 0.00 H new ATOM 115 N VAL A 7 -3.807 -1.270 -7.889 1.00 0.00 N ATOM 116 CA VAL A 7 -2.962 -2.021 -8.802 1.00 0.00 C ATOM 117 C VAL A 7 -1.694 -1.216 -9.095 1.00 0.00 C ATOM 118 O VAL A 7 -1.762 -0.014 -9.344 1.00 0.00 O ATOM 119 CB VAL A 7 -3.747 -2.381 -10.065 1.00 0.00 C ATOM 120 CG1 VAL A 7 -2.896 -3.223 -11.018 1.00 0.00 C ATOM 121 CG2 VAL A 7 -5.051 -3.100 -9.713 1.00 0.00 C ATOM 0 H VAL A 7 -4.362 -0.535 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.652 -2.963 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.003 -1.453 -10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.478 -3.465 -11.907 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.008 -2.660 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.595 -4.144 -10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.590 -3.345 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.825 -4.017 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.668 -2.451 -9.091 1.00 0.00 H new ATOM 131 N PRO A 8 -0.538 -1.931 -9.055 1.00 0.00 N ATOM 132 CA PRO A 8 0.744 -1.296 -9.313 1.00 0.00 C ATOM 133 C PRO A 8 0.927 -1.019 -10.807 1.00 0.00 C ATOM 134 O PRO A 8 1.896 -1.475 -11.413 1.00 0.00 O ATOM 135 CB PRO A 8 1.779 -2.260 -8.757 1.00 0.00 C ATOM 136 CG PRO A 8 1.074 -3.601 -8.629 1.00 0.00 C ATOM 137 CD PRO A 8 -0.420 -3.357 -8.763 1.00 0.00 C ATOM 0 HA PRO A 8 0.833 -0.319 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.640 -2.334 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.150 -1.920 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.419 -4.289 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.301 -4.061 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.850 -3.962 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.948 -3.618 -7.846 1.00 0.00 H new ATOM 145 N LEU A 9 -0.020 -0.273 -11.358 1.00 0.00 N ATOM 146 CA LEU A 9 0.025 0.071 -12.769 1.00 0.00 C ATOM 147 C LEU A 9 -0.464 1.509 -12.955 1.00 0.00 C ATOM 148 O LEU A 9 0.162 2.293 -13.666 1.00 0.00 O ATOM 149 CB LEU A 9 -0.754 -0.955 -13.595 1.00 0.00 C ATOM 150 CG LEU A 9 -0.020 -2.260 -13.908 1.00 0.00 C ATOM 151 CD1 LEU A 9 -1.006 -3.418 -14.075 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.887 -2.100 -15.130 1.00 0.00 C ATOM 0 H LEU A 9 -0.823 0.103 -10.853 1.00 0.00 H new ATOM 0 HA LEU A 9 1.050 0.032 -13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.674 -1.197 -13.063 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.044 -0.489 -14.537 1.00 0.00 H new ATOM 0 HG LEU A 9 0.621 -2.502 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.458 -4.334 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.573 -3.549 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.691 -3.198 -14.894 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.397 -3.042 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.286 -1.821 -15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.625 -1.322 -14.936 1.00 0.00 H new ATOM 164 N PHE A 10 -1.577 1.810 -12.304 1.00 0.00 N ATOM 165 CA PHE A 10 -2.157 3.140 -12.388 1.00 0.00 C ATOM 166 C PHE A 10 -1.789 3.978 -11.162 1.00 0.00 C ATOM 167 O PHE A 10 -1.853 3.493 -10.033 1.00 0.00 O ATOM 168 CB PHE A 10 -3.676 2.964 -12.434 1.00 0.00 C ATOM 169 CG PHE A 10 -4.216 2.574 -13.811 1.00 0.00 C ATOM 170 CD1 PHE A 10 -4.282 1.264 -14.171 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.631 3.538 -14.676 1.00 0.00 C ATOM 172 CE1 PHE A 10 -4.783 0.903 -15.449 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.132 3.177 -15.955 1.00 0.00 C ATOM 174 CZ PHE A 10 -5.198 1.866 -16.314 1.00 0.00 C ATOM 0 H PHE A 10 -2.093 1.156 -11.716 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.780 3.654 -13.272 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.965 2.200 -11.712 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.149 3.894 -12.120 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.953 0.498 -13.484 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.580 4.578 -14.390 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.835 -0.137 -15.734 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.460 3.943 -16.642 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.580 1.591 -17.286 1.00 0.00 H new ATOM 184 N SER A 11 -1.413 5.220 -11.425 1.00 0.00 N ATOM 185 CA SER A 11 -1.035 6.130 -10.357 1.00 0.00 C ATOM 186 C SER A 11 -1.902 7.389 -10.410 1.00 0.00 C ATOM 187 O SER A 11 -2.347 7.796 -11.482 1.00 0.00 O ATOM 188 CB SER A 11 0.447 6.502 -10.448 1.00 0.00 C ATOM 189 OG SER A 11 0.865 6.702 -11.796 1.00 0.00 O ATOM 0 H SER A 11 -1.362 5.618 -12.363 1.00 0.00 H new ATOM 0 HA SER A 11 -1.197 5.625 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.629 7.410 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.047 5.713 -9.995 1.00 0.00 H new ATOM 0 HG SER A 11 1.812 6.955 -11.811 1.00 0.00 H new ATOM 195 N LYS A 12 -2.117 7.971 -9.239 1.00 0.00 N ATOM 196 CA LYS A 12 -2.924 9.175 -9.139 1.00 0.00 C ATOM 197 C LYS A 12 -2.275 10.137 -8.141 1.00 0.00 C ATOM 198 O LYS A 12 -1.535 9.711 -7.255 1.00 0.00 O ATOM 199 CB LYS A 12 -4.373 8.823 -8.801 1.00 0.00 C ATOM 200 CG LYS A 12 -5.349 9.687 -9.601 1.00 0.00 C ATOM 201 CD LYS A 12 -5.573 9.110 -11.000 1.00 0.00 C ATOM 202 CE LYS A 12 -6.589 9.944 -11.782 1.00 0.00 C ATOM 203 NZ LYS A 12 -6.801 9.373 -13.131 1.00 0.00 N ATOM 0 H LYS A 12 -1.746 7.631 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.962 9.689 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.554 7.770 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.546 8.965 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.301 9.750 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.960 10.702 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.627 9.082 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.926 8.082 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.535 9.976 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.236 10.972 -11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.494 9.952 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.900 9.365 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.159 8.400 -13.044 1.00 0.00 H new ATOM 217 N THR A 13 -2.576 11.415 -8.318 1.00 0.00 N ATOM 218 CA THR A 13 -2.032 12.440 -7.443 1.00 0.00 C ATOM 219 C THR A 13 -3.037 12.793 -6.345 1.00 0.00 C ATOM 220 O THR A 13 -4.184 13.128 -6.634 1.00 0.00 O ATOM 221 CB THR A 13 -1.632 13.636 -8.309 1.00 0.00 C ATOM 222 OG1 THR A 13 -0.643 13.112 -9.191 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.889 14.712 -7.514 1.00 0.00 C ATOM 0 H THR A 13 -3.190 11.764 -9.054 1.00 0.00 H new ATOM 0 HA THR A 13 -1.143 12.085 -6.923 1.00 0.00 H new ATOM 0 HB THR A 13 -2.524 14.069 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.330 13.822 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.628 15.538 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.529 15.078 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.020 14.287 -7.088 1.00 0.00 H new ATOM 231 N CYS A 14 -2.569 12.705 -5.109 1.00 0.00 N ATOM 232 CA CYS A 14 -3.413 13.011 -3.966 1.00 0.00 C ATOM 233 C CYS A 14 -3.809 14.487 -4.043 1.00 0.00 C ATOM 234 O CYS A 14 -2.953 15.355 -4.205 1.00 0.00 O ATOM 235 CB CYS A 14 -2.719 12.675 -2.644 1.00 0.00 C ATOM 236 SG CYS A 14 -1.731 11.134 -2.666 1.00 0.00 S ATOM 0 H CYS A 14 -1.616 12.426 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.310 12.393 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.067 13.504 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.475 12.594 -1.863 1.00 0.00 H new ATOM 241 N PRO A 15 -5.141 14.731 -3.919 1.00 0.00 N ATOM 242 CA PRO A 15 -5.661 16.087 -3.973 1.00 0.00 C ATOM 243 C PRO A 15 -5.367 16.839 -2.674 1.00 0.00 C ATOM 244 O PRO A 15 -4.954 16.237 -1.684 1.00 0.00 O ATOM 245 CB PRO A 15 -7.148 15.927 -4.244 1.00 0.00 C ATOM 246 CG PRO A 15 -7.488 14.493 -3.870 1.00 0.00 C ATOM 247 CD PRO A 15 -6.183 13.727 -3.726 1.00 0.00 C ATOM 0 HA PRO A 15 -5.190 16.688 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.731 16.633 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.377 16.122 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.052 14.465 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.116 14.037 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.105 13.259 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.108 12.931 -4.466 1.00 0.00 H new ATOM 255 N ALA A 16 -5.593 18.144 -2.719 1.00 0.00 N ATOM 256 CA ALA A 16 -5.357 18.984 -1.557 1.00 0.00 C ATOM 257 C ALA A 16 -5.931 18.302 -0.314 1.00 0.00 C ATOM 258 O ALA A 16 -7.077 17.856 -0.320 1.00 0.00 O ATOM 259 CB ALA A 16 -5.966 20.368 -1.796 1.00 0.00 C ATOM 0 H ALA A 16 -5.937 18.640 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.288 19.121 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.789 20.999 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.504 20.822 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.039 20.270 -1.961 1.00 0.00 H new ATOM 265 N GLY A 17 -5.107 18.241 0.722 1.00 0.00 N ATOM 266 CA GLY A 17 -5.518 17.620 1.969 1.00 0.00 C ATOM 267 C GLY A 17 -4.677 16.377 2.267 1.00 0.00 C ATOM 268 O GLY A 17 -4.254 16.167 3.403 1.00 0.00 O ATOM 0 H GLY A 17 -4.157 18.612 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.418 18.335 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.571 17.346 1.913 1.00 0.00 H new ATOM 272 N LYS A 18 -4.459 15.586 1.226 1.00 0.00 N ATOM 273 CA LYS A 18 -3.675 14.370 1.362 1.00 0.00 C ATOM 274 C LYS A 18 -2.323 14.561 0.672 1.00 0.00 C ATOM 275 O LYS A 18 -2.260 15.053 -0.453 1.00 0.00 O ATOM 276 CB LYS A 18 -4.464 13.165 0.847 1.00 0.00 C ATOM 277 CG LYS A 18 -5.818 13.055 1.550 1.00 0.00 C ATOM 278 CD LYS A 18 -6.709 12.016 0.865 1.00 0.00 C ATOM 279 CE LYS A 18 -7.975 11.754 1.684 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.809 10.721 1.031 1.00 0.00 N ATOM 0 H LYS A 18 -4.811 15.764 0.285 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.471 14.163 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.615 13.258 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.890 12.253 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.668 12.779 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.315 14.025 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.982 12.365 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.156 11.086 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.705 11.430 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.545 12.677 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.664 10.555 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.082 11.045 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.268 9.836 0.953 1.00 0.00 H new ATOM 294 N ASN A 19 -1.274 14.160 1.376 1.00 0.00 N ATOM 295 CA ASN A 19 0.074 14.281 0.845 1.00 0.00 C ATOM 296 C ASN A 19 0.905 13.078 1.298 1.00 0.00 C ATOM 297 O ASN A 19 2.133 13.133 1.298 1.00 0.00 O ATOM 298 CB ASN A 19 0.757 15.549 1.360 1.00 0.00 C ATOM 299 CG ASN A 19 0.172 16.796 0.694 1.00 0.00 C ATOM 300 OD1 ASN A 19 -1.030 16.948 0.550 1.00 0.00 O ATOM 301 ND2 ASN A 19 1.086 17.677 0.298 1.00 0.00 N ATOM 0 H ASN A 19 -1.330 13.751 2.309 1.00 0.00 H new ATOM 0 HA ASN A 19 0.006 14.325 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.635 15.619 2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.828 15.495 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.796 18.543 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.077 17.487 0.449 1.00 0.00 H new ATOM 308 N LEU A 20 0.201 12.020 1.673 1.00 0.00 N ATOM 309 CA LEU A 20 0.858 10.807 2.127 1.00 0.00 C ATOM 310 C LEU A 20 0.254 9.603 1.402 1.00 0.00 C ATOM 311 O LEU A 20 -0.855 9.683 0.876 1.00 0.00 O ATOM 312 CB LEU A 20 0.795 10.702 3.652 1.00 0.00 C ATOM 313 CG LEU A 20 1.525 11.798 4.431 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.118 11.787 5.906 1.00 0.00 C ATOM 315 CD2 LEU A 20 3.040 11.680 4.253 1.00 0.00 C ATOM 0 H LEU A 20 -0.818 11.978 1.672 1.00 0.00 H new ATOM 0 HA LEU A 20 1.918 10.831 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.252 10.706 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.208 9.738 3.947 1.00 0.00 H new ATOM 0 HG LEU A 20 1.227 12.764 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.651 12.576 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.044 11.956 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.368 10.821 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.535 12.471 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.375 10.709 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.291 11.776 3.197 1.00 0.00 H new ATOM 327 N CYS A 21 1.010 8.514 1.398 1.00 0.00 N ATOM 328 CA CYS A 21 0.562 7.295 0.746 1.00 0.00 C ATOM 329 C CYS A 21 0.349 6.227 1.821 1.00 0.00 C ATOM 330 O CYS A 21 1.287 5.847 2.519 1.00 0.00 O ATOM 331 CB CYS A 21 1.548 6.834 -0.329 1.00 0.00 C ATOM 332 SG CYS A 21 2.296 8.183 -1.314 1.00 0.00 S ATOM 0 H CYS A 21 1.929 8.451 1.836 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.379 7.480 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.346 6.267 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.033 6.152 -1.005 1.00 0.00 H new ATOM 337 N TYR A 22 -0.892 5.772 1.919 1.00 0.00 N ATOM 338 CA TYR A 22 -1.241 4.755 2.897 1.00 0.00 C ATOM 339 C TYR A 22 -1.287 3.368 2.252 1.00 0.00 C ATOM 340 O TYR A 22 -1.706 3.227 1.104 1.00 0.00 O ATOM 341 CB TYR A 22 -2.639 5.117 3.401 1.00 0.00 C ATOM 342 CG TYR A 22 -3.775 4.477 2.599 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.980 3.114 2.661 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.593 5.263 1.814 1.00 0.00 C ATOM 345 CE1 TYR A 22 -5.048 2.512 1.906 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.662 4.661 1.060 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.837 3.315 1.143 1.00 0.00 C ATOM 348 OH TYR A 22 -6.846 2.746 0.430 1.00 0.00 O ATOM 0 H TYR A 22 -1.668 6.089 1.338 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.503 4.724 3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.728 4.813 4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.755 6.201 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.340 2.499 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.432 6.330 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.219 1.446 1.945 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.310 5.265 0.442 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.327 3.440 -0.067 1.00 0.00 H new ATOM 358 N LYS A 23 -0.850 2.380 3.019 1.00 0.00 N ATOM 359 CA LYS A 23 -0.836 1.009 2.537 1.00 0.00 C ATOM 360 C LYS A 23 -1.440 0.092 3.603 1.00 0.00 C ATOM 361 O LYS A 23 -1.135 0.227 4.787 1.00 0.00 O ATOM 362 CB LYS A 23 0.576 0.607 2.107 1.00 0.00 C ATOM 363 CG LYS A 23 0.609 -0.844 1.623 1.00 0.00 C ATOM 364 CD LYS A 23 1.945 -1.507 1.966 1.00 0.00 C ATOM 365 CE LYS A 23 3.068 -0.968 1.078 1.00 0.00 C ATOM 366 NZ LYS A 23 4.311 -1.744 1.287 1.00 0.00 N ATOM 0 H LYS A 23 -0.503 2.501 3.970 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.455 0.912 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.920 1.268 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.264 0.731 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.207 -1.403 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.450 -0.875 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.186 -1.326 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.863 -2.586 1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.770 -1.023 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.246 0.083 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.063 -1.365 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.603 -1.671 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.141 -2.742 1.049 1.00 0.00 H new ATOM 380 N MET A 24 -2.284 -0.819 3.144 1.00 0.00 N ATOM 381 CA MET A 24 -2.933 -1.758 4.044 1.00 0.00 C ATOM 382 C MET A 24 -2.474 -3.191 3.765 1.00 0.00 C ATOM 383 O MET A 24 -2.593 -3.677 2.641 1.00 0.00 O ATOM 384 CB MET A 24 -4.450 -1.665 3.872 1.00 0.00 C ATOM 385 CG MET A 24 -5.177 -2.288 5.066 1.00 0.00 C ATOM 386 SD MET A 24 -6.912 -2.479 4.693 1.00 0.00 S ATOM 387 CE MET A 24 -7.152 -4.176 5.192 1.00 0.00 C ATOM 0 H MET A 24 -2.534 -0.928 2.161 1.00 0.00 H new ATOM 0 HA MET A 24 -2.658 -1.501 5.067 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.744 -0.621 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.747 -2.174 2.955 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.739 -3.257 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.053 -1.658 5.947 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.210 -4.353 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.810 -4.840 4.398 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.582 -4.372 6.100 1.00 0.00 H new ATOM 397 N PHE A 25 -1.960 -3.827 4.807 1.00 0.00 N ATOM 398 CA PHE A 25 -1.483 -5.195 4.688 1.00 0.00 C ATOM 399 C PHE A 25 -1.882 -6.023 5.912 1.00 0.00 C ATOM 400 O PHE A 25 -2.189 -5.470 6.967 1.00 0.00 O ATOM 401 CB PHE A 25 0.043 -5.130 4.606 1.00 0.00 C ATOM 402 CG PHE A 25 0.692 -4.303 5.718 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.712 -2.946 5.633 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.248 -4.926 6.793 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.314 -2.179 6.665 1.00 0.00 C ATOM 406 CE2 PHE A 25 1.850 -4.158 7.824 1.00 0.00 C ATOM 407 CZ PHE A 25 1.870 -2.801 7.739 1.00 0.00 C ATOM 0 H PHE A 25 -1.863 -3.421 5.738 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.918 -5.666 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.442 -6.144 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.327 -4.709 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.270 -2.452 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.231 -6.004 6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.330 -1.101 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.292 -4.652 8.677 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.327 -2.217 8.524 1.00 0.00 H new ATOM 417 N MET A 26 -1.864 -7.335 5.730 1.00 0.00 N ATOM 418 CA MET A 26 -2.220 -8.245 6.805 1.00 0.00 C ATOM 419 C MET A 26 -0.988 -8.631 7.627 1.00 0.00 C ATOM 420 O MET A 26 0.045 -8.997 7.069 1.00 0.00 O ATOM 421 CB MET A 26 -2.858 -9.505 6.218 1.00 0.00 C ATOM 422 CG MET A 26 -4.375 -9.347 6.097 1.00 0.00 C ATOM 423 SD MET A 26 -4.814 -8.937 4.416 1.00 0.00 S ATOM 424 CE MET A 26 -6.556 -8.607 4.623 1.00 0.00 C ATOM 0 H MET A 26 -1.608 -7.790 4.854 1.00 0.00 H new ATOM 0 HA MET A 26 -2.929 -7.741 7.462 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.431 -9.710 5.236 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.628 -10.362 6.851 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.870 -10.271 6.396 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.723 -8.566 6.773 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.991 -8.334 3.662 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.052 -9.499 5.006 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.690 -7.787 5.328 1.00 0.00 H new ATOM 434 N VAL A 27 -1.139 -8.535 8.940 1.00 0.00 N ATOM 435 CA VAL A 27 -0.051 -8.870 9.844 1.00 0.00 C ATOM 436 C VAL A 27 0.246 -10.367 9.744 1.00 0.00 C ATOM 437 O VAL A 27 -0.099 -11.134 10.642 1.00 0.00 O ATOM 438 CB VAL A 27 -0.397 -8.422 11.266 1.00 0.00 C ATOM 439 CG1 VAL A 27 -0.655 -6.915 11.319 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.594 -9.203 11.811 1.00 0.00 C ATOM 0 H VAL A 27 -1.997 -8.230 9.399 1.00 0.00 H new ATOM 0 HA VAL A 27 0.858 -8.339 9.562 1.00 0.00 H new ATOM 0 HB VAL A 27 0.461 -8.637 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.899 -6.623 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.238 -6.381 10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.488 -6.665 10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.819 -8.865 12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.460 -9.034 11.171 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.357 -10.267 11.828 1.00 0.00 H new ATOM 450 N ALA A 28 0.885 -10.739 8.645 1.00 0.00 N ATOM 451 CA ALA A 28 1.234 -12.131 8.416 1.00 0.00 C ATOM 452 C ALA A 28 2.198 -12.223 7.232 1.00 0.00 C ATOM 453 O ALA A 28 3.168 -12.977 7.274 1.00 0.00 O ATOM 454 CB ALA A 28 -0.042 -12.947 8.194 1.00 0.00 C ATOM 0 H ALA A 28 1.170 -10.100 7.903 1.00 0.00 H new ATOM 0 HA ALA A 28 1.741 -12.548 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.219 -13.991 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.679 -12.873 9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.576 -12.559 7.326 1.00 0.00 H new ATOM 460 N ALA A 29 1.897 -11.444 6.203 1.00 0.00 N ATOM 461 CA ALA A 29 2.726 -11.428 5.009 1.00 0.00 C ATOM 462 C ALA A 29 3.233 -10.005 4.765 1.00 0.00 C ATOM 463 O ALA A 29 2.713 -9.296 3.904 1.00 0.00 O ATOM 464 CB ALA A 29 1.925 -11.973 3.825 1.00 0.00 C ATOM 0 H ALA A 29 1.091 -10.820 6.171 1.00 0.00 H new ATOM 0 HA ALA A 29 3.597 -12.071 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.546 -11.961 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.613 -12.996 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.045 -11.351 3.664 1.00 0.00 H new ATOM 470 N PRO A 30 4.269 -9.620 5.558 1.00 0.00 N ATOM 471 CA PRO A 30 4.852 -8.295 5.436 1.00 0.00 C ATOM 472 C PRO A 30 5.727 -8.194 4.185 1.00 0.00 C ATOM 473 O PRO A 30 6.914 -7.886 4.277 1.00 0.00 O ATOM 474 CB PRO A 30 5.632 -8.088 6.724 1.00 0.00 C ATOM 475 CG PRO A 30 5.840 -9.474 7.312 1.00 0.00 C ATOM 476 CD PRO A 30 4.909 -10.433 6.587 1.00 0.00 C ATOM 0 HA PRO A 30 4.101 -7.515 5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.587 -7.599 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.082 -7.449 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.877 -9.787 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.628 -9.471 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.460 -11.265 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.173 -10.862 7.268 1.00 0.00 H new ATOM 484 N HIS A 31 5.107 -8.459 3.045 1.00 0.00 N ATOM 485 CA HIS A 31 5.814 -8.402 1.777 1.00 0.00 C ATOM 486 C HIS A 31 4.835 -8.039 0.659 1.00 0.00 C ATOM 487 O HIS A 31 5.126 -7.181 -0.173 1.00 0.00 O ATOM 488 CB HIS A 31 6.559 -9.711 1.511 1.00 0.00 C ATOM 489 CG HIS A 31 7.238 -9.769 0.163 1.00 0.00 C ATOM 490 ND1 HIS A 31 8.212 -8.867 -0.225 1.00 0.00 N ATOM 491 CD2 HIS A 31 7.072 -10.630 -0.882 1.00 0.00 C ATOM 492 CE1 HIS A 31 8.608 -9.179 -1.450 1.00 0.00 C ATOM 493 NE2 HIS A 31 7.900 -10.273 -1.855 1.00 0.00 N ATOM 0 H HIS A 31 4.122 -8.714 2.973 1.00 0.00 H new ATOM 0 HA HIS A 31 6.573 -7.621 1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.308 -9.856 2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.855 -10.540 1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.383 -11.461 -0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.359 -8.659 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.992 -10.739 -2.757 1.00 0.00 H new ATOM 501 N VAL A 32 3.693 -8.712 0.675 1.00 0.00 N ATOM 502 CA VAL A 32 2.669 -8.471 -0.328 1.00 0.00 C ATOM 503 C VAL A 32 1.587 -7.563 0.262 1.00 0.00 C ATOM 504 O VAL A 32 0.991 -7.888 1.287 1.00 0.00 O ATOM 505 CB VAL A 32 2.117 -9.802 -0.842 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.097 -9.578 -1.960 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.248 -10.721 -1.308 1.00 0.00 C ATOM 0 H VAL A 32 3.455 -9.423 1.366 1.00 0.00 H new ATOM 0 HA VAL A 32 3.092 -7.955 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 32 1.605 -10.294 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.721 -10.540 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.268 -8.979 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.574 -9.055 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.828 -11.660 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.801 -10.238 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.921 -10.921 -0.474 1.00 0.00 H new ATOM 517 N PRO A 33 1.362 -6.414 -0.430 1.00 0.00 N ATOM 518 CA PRO A 33 0.363 -5.457 0.015 1.00 0.00 C ATOM 519 C PRO A 33 -1.050 -5.958 -0.290 1.00 0.00 C ATOM 520 O PRO A 33 -1.221 -7.037 -0.857 1.00 0.00 O ATOM 521 CB PRO A 33 0.705 -4.166 -0.711 1.00 0.00 C ATOM 522 CG PRO A 33 1.589 -4.567 -1.880 1.00 0.00 C ATOM 523 CD PRO A 33 2.050 -5.997 -1.648 1.00 0.00 C ATOM 0 HA PRO A 33 0.375 -5.307 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.197 -3.662 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.223 -3.472 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.039 -4.491 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.446 -3.898 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.789 -6.639 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.132 -6.050 -1.530 1.00 0.00 H new ATOM 531 N VAL A 34 -2.026 -5.152 0.100 1.00 0.00 N ATOM 532 CA VAL A 34 -3.419 -5.500 -0.124 1.00 0.00 C ATOM 533 C VAL A 34 -4.124 -4.339 -0.828 1.00 0.00 C ATOM 534 O VAL A 34 -4.713 -4.519 -1.892 1.00 0.00 O ATOM 535 CB VAL A 34 -4.081 -5.888 1.199 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.511 -6.384 0.972 1.00 0.00 C ATOM 537 CG2 VAL A 34 -3.249 -6.935 1.943 1.00 0.00 C ATOM 0 H VAL A 34 -1.880 -4.259 0.570 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.495 -6.370 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.131 -4.995 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.959 -6.653 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.100 -5.595 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.494 -7.258 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.742 -7.193 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.152 -7.828 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.259 -6.530 2.154 1.00 0.00 H new ATOM 547 N LYS A 35 -4.040 -3.173 -0.204 1.00 0.00 N ATOM 548 CA LYS A 35 -4.662 -1.982 -0.758 1.00 0.00 C ATOM 549 C LYS A 35 -3.639 -0.845 -0.789 1.00 0.00 C ATOM 550 O LYS A 35 -2.618 -0.904 -0.105 1.00 0.00 O ATOM 551 CB LYS A 35 -5.939 -1.638 0.011 1.00 0.00 C ATOM 552 CG LYS A 35 -6.955 -2.780 -0.075 1.00 0.00 C ATOM 553 CD LYS A 35 -7.522 -3.115 1.306 1.00 0.00 C ATOM 554 CE LYS A 35 -8.733 -4.042 1.191 1.00 0.00 C ATOM 555 NZ LYS A 35 -9.182 -4.479 2.532 1.00 0.00 N ATOM 0 H LYS A 35 -3.551 -3.028 0.679 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.974 -2.159 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.697 -1.440 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.377 -0.726 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.766 -2.500 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.479 -3.663 -0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.752 -3.590 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.810 -2.197 1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.546 -3.526 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.476 -4.912 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.142 -4.874 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.533 -5.206 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.187 -3.665 3.179 1.00 0.00 H new ATOM 569 N ARG A 36 -3.948 0.165 -1.590 1.00 0.00 N ATOM 570 CA ARG A 36 -3.068 1.314 -1.719 1.00 0.00 C ATOM 571 C ARG A 36 -3.860 2.540 -2.178 1.00 0.00 C ATOM 572 O ARG A 36 -4.527 2.501 -3.210 1.00 0.00 O ATOM 573 CB ARG A 36 -1.944 1.037 -2.720 1.00 0.00 C ATOM 574 CG ARG A 36 -1.203 -0.255 -2.369 1.00 0.00 C ATOM 575 CD ARG A 36 -0.123 -0.567 -3.407 1.00 0.00 C ATOM 576 NE ARG A 36 -0.555 -1.693 -4.264 1.00 0.00 N ATOM 577 CZ ARG A 36 0.282 -2.587 -4.809 1.00 0.00 C ATOM 578 NH1 ARG A 36 1.600 -2.490 -4.590 1.00 0.00 N ATOM 579 NH2 ARG A 36 -0.200 -3.577 -5.573 1.00 0.00 N ATOM 0 H ARG A 36 -4.795 0.211 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.628 1.507 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.358 0.961 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.243 1.872 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.748 -0.161 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.911 -1.082 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.070 0.314 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.812 -0.818 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.552 -1.795 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.966 -1.736 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.237 -3.170 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.204 -3.650 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.437 -4.257 -5.988 1.00 0.00 H new ATOM 593 N GLY A 37 -3.759 3.599 -1.388 1.00 0.00 N ATOM 594 CA GLY A 37 -4.458 4.834 -1.701 1.00 0.00 C ATOM 595 C GLY A 37 -3.742 6.039 -1.088 1.00 0.00 C ATOM 596 O GLY A 37 -2.610 5.922 -0.620 1.00 0.00 O ATOM 0 H GLY A 37 -3.204 3.627 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.522 4.956 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.480 4.783 -1.325 1.00 0.00 H new ATOM 600 N CYS A 38 -4.431 7.171 -1.110 1.00 0.00 N ATOM 601 CA CYS A 38 -3.875 8.396 -0.562 1.00 0.00 C ATOM 602 C CYS A 38 -4.535 8.660 0.793 1.00 0.00 C ATOM 603 O CYS A 38 -5.584 8.094 1.097 1.00 0.00 O ATOM 604 CB CYS A 38 -4.050 9.575 -1.522 1.00 0.00 C ATOM 605 SG CYS A 38 -2.907 9.577 -2.951 1.00 0.00 S ATOM 0 H CYS A 38 -5.369 7.265 -1.499 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.800 8.281 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.075 9.573 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.915 10.502 -0.965 1.00 0.00 H new ATOM 610 N ILE A 39 -3.894 9.520 1.570 1.00 0.00 N ATOM 611 CA ILE A 39 -4.406 9.866 2.885 1.00 0.00 C ATOM 612 C ILE A 39 -3.746 11.162 3.360 1.00 0.00 C ATOM 613 O ILE A 39 -2.731 11.584 2.808 1.00 0.00 O ATOM 614 CB ILE A 39 -4.230 8.695 3.854 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.266 8.753 4.979 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.800 8.640 4.393 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.591 7.351 5.498 1.00 0.00 C ATOM 0 H ILE A 39 -3.024 9.988 1.314 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.479 10.053 2.839 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.403 7.769 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.888 9.368 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.176 9.230 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.702 7.799 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.103 8.515 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.574 9.567 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.329 7.421 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.992 6.746 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.683 6.886 5.883 1.00 0.00 H new ATOM 629 N ASP A 40 -4.348 11.756 4.380 1.00 0.00 N ATOM 630 CA ASP A 40 -3.831 12.995 4.935 1.00 0.00 C ATOM 631 C ASP A 40 -3.239 12.720 6.319 1.00 0.00 C ATOM 632 O ASP A 40 -2.085 13.057 6.582 1.00 0.00 O ATOM 633 CB ASP A 40 -4.943 14.034 5.095 1.00 0.00 C ATOM 634 CG ASP A 40 -6.169 13.554 5.875 1.00 0.00 C ATOM 635 OD1 ASP A 40 -6.743 12.526 5.454 1.00 0.00 O ATOM 636 OD2 ASP A 40 -6.504 14.225 6.875 1.00 0.00 O ATOM 0 H ASP A 40 -5.189 11.402 4.836 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.074 13.380 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.532 14.910 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.264 14.356 4.104 1.00 0.00 H new ATOM 641 N VAL A 41 -4.055 12.111 7.167 1.00 0.00 N ATOM 642 CA VAL A 41 -3.626 11.787 8.517 1.00 0.00 C ATOM 643 C VAL A 41 -3.432 10.275 8.636 1.00 0.00 C ATOM 644 O VAL A 41 -4.344 9.503 8.341 1.00 0.00 O ATOM 645 CB VAL A 41 -4.626 12.345 9.531 1.00 0.00 C ATOM 646 CG1 VAL A 41 -4.397 11.737 10.917 1.00 0.00 C ATOM 647 CG2 VAL A 41 -4.560 13.872 9.585 1.00 0.00 C ATOM 0 H VAL A 41 -5.011 11.833 6.945 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.666 12.255 8.737 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.627 12.065 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.121 12.150 11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.519 10.655 10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.388 11.972 11.255 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.281 14.242 10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.557 14.183 9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.795 14.281 8.602 1.00 0.00 H new ATOM 657 N CYS A 42 -2.239 9.895 9.070 1.00 0.00 N ATOM 658 CA CYS A 42 -1.915 8.488 9.233 1.00 0.00 C ATOM 659 C CYS A 42 -2.711 7.946 10.421 1.00 0.00 C ATOM 660 O CYS A 42 -2.553 8.417 11.546 1.00 0.00 O ATOM 661 CB CYS A 42 -0.410 8.271 9.407 1.00 0.00 C ATOM 662 SG CYS A 42 0.154 6.552 9.133 1.00 0.00 S ATOM 0 H CYS A 42 -1.485 10.537 9.314 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.193 7.941 8.332 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.120 8.927 8.716 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.127 8.575 10.415 1.00 0.00 H new ATOM 667 N PRO A 43 -3.572 6.936 10.123 1.00 0.00 N ATOM 668 CA PRO A 43 -4.393 6.324 11.154 1.00 0.00 C ATOM 669 C PRO A 43 -3.559 5.398 12.042 1.00 0.00 C ATOM 670 O PRO A 43 -2.361 5.231 11.819 1.00 0.00 O ATOM 671 CB PRO A 43 -5.492 5.593 10.400 1.00 0.00 C ATOM 672 CG PRO A 43 -4.985 5.434 8.976 1.00 0.00 C ATOM 673 CD PRO A 43 -3.786 6.352 8.803 1.00 0.00 C ATOM 0 HA PRO A 43 -4.819 7.055 11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.697 4.623 10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.424 6.158 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.704 4.399 8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.768 5.689 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.909 5.798 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.981 7.122 8.056 1.00 0.00 H new ATOM 681 N LYS A 44 -4.226 4.819 13.030 1.00 0.00 N ATOM 682 CA LYS A 44 -3.562 3.914 13.952 1.00 0.00 C ATOM 683 C LYS A 44 -3.626 2.490 13.397 1.00 0.00 C ATOM 684 O LYS A 44 -4.493 2.176 12.582 1.00 0.00 O ATOM 685 CB LYS A 44 -4.150 4.054 15.357 1.00 0.00 C ATOM 686 CG LYS A 44 -3.098 3.746 16.425 1.00 0.00 C ATOM 687 CD LYS A 44 -3.637 2.749 17.454 1.00 0.00 C ATOM 688 CE LYS A 44 -2.532 2.300 18.412 1.00 0.00 C ATOM 689 NZ LYS A 44 -2.105 3.425 19.274 1.00 0.00 N ATOM 0 H LYS A 44 -5.220 4.959 13.212 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.507 4.172 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.530 5.066 15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.997 3.377 15.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.204 3.339 15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.803 4.668 16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.449 3.207 18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.054 1.882 16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.890 1.476 19.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.680 1.925 17.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.429 3.080 19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.651 4.156 18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.935 3.830 19.753 1.00 0.00 H new ATOM 703 N SER A 45 -2.698 1.666 13.861 1.00 0.00 N ATOM 704 CA SER A 45 -2.639 0.282 13.421 1.00 0.00 C ATOM 705 C SER A 45 -3.380 -0.615 14.414 1.00 0.00 C ATOM 706 O SER A 45 -3.661 -0.203 15.539 1.00 0.00 O ATOM 707 CB SER A 45 -1.190 -0.184 13.263 1.00 0.00 C ATOM 708 OG SER A 45 -0.664 0.132 11.977 1.00 0.00 O ATOM 0 H SER A 45 -1.981 1.930 14.537 1.00 0.00 H new ATOM 0 HA SER A 45 -3.123 0.212 12.447 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.573 0.283 14.031 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.136 -1.261 13.422 1.00 0.00 H new ATOM 0 HG SER A 45 0.263 -0.180 11.917 1.00 0.00 H new ATOM 714 N SER A 46 -3.675 -1.826 13.964 1.00 0.00 N ATOM 715 CA SER A 46 -4.378 -2.784 14.799 1.00 0.00 C ATOM 716 C SER A 46 -3.576 -4.084 14.892 1.00 0.00 C ATOM 717 O SER A 46 -2.479 -4.182 14.344 1.00 0.00 O ATOM 718 CB SER A 46 -5.780 -3.064 14.256 1.00 0.00 C ATOM 719 OG SER A 46 -5.743 -3.776 13.022 1.00 0.00 O ATOM 0 H SER A 46 -3.440 -2.165 13.031 1.00 0.00 H new ATOM 0 HA SER A 46 -4.483 -2.356 15.796 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.345 -3.639 14.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.309 -2.121 14.115 1.00 0.00 H new ATOM 0 HG SER A 46 -4.909 -3.570 12.550 1.00 0.00 H new ATOM 725 N LEU A 47 -4.154 -5.050 15.591 1.00 0.00 N ATOM 726 CA LEU A 47 -3.507 -6.340 15.762 1.00 0.00 C ATOM 727 C LEU A 47 -3.826 -7.230 14.560 1.00 0.00 C ATOM 728 O LEU A 47 -3.159 -8.239 14.336 1.00 0.00 O ATOM 729 CB LEU A 47 -3.896 -6.959 17.106 1.00 0.00 C ATOM 730 CG LEU A 47 -3.242 -6.341 18.344 1.00 0.00 C ATOM 731 CD1 LEU A 47 -3.839 -4.966 18.650 1.00 0.00 C ATOM 732 CD2 LEU A 47 -3.335 -7.286 19.543 1.00 0.00 C ATOM 0 H LEU A 47 -5.063 -4.965 16.045 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.424 -6.222 15.792 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.978 -6.887 17.217 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.648 -8.020 17.080 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.183 -6.193 18.133 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.357 -4.549 19.534 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.677 -4.302 17.801 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.909 -5.066 18.833 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.863 -6.822 20.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.382 -7.489 19.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.826 -8.221 19.310 1.00 0.00 H new ATOM 744 N LEU A 48 -4.846 -6.824 13.817 1.00 0.00 N ATOM 745 CA LEU A 48 -5.261 -7.572 12.643 1.00 0.00 C ATOM 746 C LEU A 48 -4.584 -6.985 11.403 1.00 0.00 C ATOM 747 O LEU A 48 -3.741 -7.633 10.786 1.00 0.00 O ATOM 748 CB LEU A 48 -6.788 -7.615 12.548 1.00 0.00 C ATOM 749 CG LEU A 48 -7.365 -8.434 11.391 1.00 0.00 C ATOM 750 CD1 LEU A 48 -7.100 -9.927 11.590 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.853 -8.136 11.197 1.00 0.00 C ATOM 0 H LEU A 48 -5.397 -5.987 14.006 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.940 -8.611 12.720 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.179 -8.017 13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.156 -6.593 12.462 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.855 -8.137 10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.520 -10.486 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.025 -10.102 11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.565 -10.259 12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.238 -8.731 10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.396 -8.387 12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.986 -7.077 10.976 1.00 0.00 H new ATOM 763 N VAL A 49 -4.978 -5.763 11.076 1.00 0.00 N ATOM 764 CA VAL A 49 -4.420 -5.081 9.921 1.00 0.00 C ATOM 765 C VAL A 49 -3.419 -4.024 10.393 1.00 0.00 C ATOM 766 O VAL A 49 -3.458 -3.599 11.546 1.00 0.00 O ATOM 767 CB VAL A 49 -5.545 -4.498 9.063 1.00 0.00 C ATOM 768 CG1 VAL A 49 -6.604 -5.558 8.754 1.00 0.00 C ATOM 769 CG2 VAL A 49 -6.172 -3.276 9.737 1.00 0.00 C ATOM 0 H VAL A 49 -5.677 -5.228 11.591 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.878 -5.783 9.288 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.111 -4.173 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.392 -5.118 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.144 -6.385 8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.031 -5.928 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.969 -2.881 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.584 -3.565 10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.411 -2.510 9.882 1.00 0.00 H new ATOM 779 N LYS A 50 -2.546 -3.631 9.476 1.00 0.00 N ATOM 780 CA LYS A 50 -1.537 -2.632 9.784 1.00 0.00 C ATOM 781 C LYS A 50 -1.481 -1.604 8.653 1.00 0.00 C ATOM 782 O LYS A 50 -1.452 -1.969 7.478 1.00 0.00 O ATOM 783 CB LYS A 50 -0.192 -3.302 10.074 1.00 0.00 C ATOM 784 CG LYS A 50 -0.027 -3.576 11.570 1.00 0.00 C ATOM 785 CD LYS A 50 1.409 -3.991 11.897 1.00 0.00 C ATOM 786 CE LYS A 50 1.546 -4.380 13.370 1.00 0.00 C ATOM 787 NZ LYS A 50 2.935 -4.791 13.671 1.00 0.00 N ATOM 0 H LYS A 50 -2.517 -3.986 8.520 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.801 -2.091 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.121 -4.238 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.619 -2.663 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.289 -2.683 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.716 -4.363 11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.701 -4.831 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.089 -3.170 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.265 -3.538 14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.861 -5.195 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.010 -5.052 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.191 -5.608 13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.582 -4.002 13.469 1.00 0.00 H new ATOM 801 N TYR A 51 -1.467 -0.339 9.046 1.00 0.00 N ATOM 802 CA TYR A 51 -1.415 0.744 8.079 1.00 0.00 C ATOM 803 C TYR A 51 -0.113 1.536 8.213 1.00 0.00 C ATOM 804 O TYR A 51 0.152 2.132 9.256 1.00 0.00 O ATOM 805 CB TYR A 51 -2.593 1.663 8.411 1.00 0.00 C ATOM 806 CG TYR A 51 -3.888 1.303 7.680 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.094 1.738 6.387 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.850 0.543 8.314 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.313 1.399 5.699 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.069 0.204 7.626 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.240 0.649 6.352 1.00 0.00 C ATOM 812 OH TYR A 51 -7.391 0.329 5.702 1.00 0.00 O ATOM 0 H TYR A 51 -1.491 -0.040 10.021 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.463 0.353 7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.774 1.632 9.485 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.321 2.689 8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.341 2.333 5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.689 0.202 9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.487 1.733 4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.830 -0.390 8.110 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.242 -0.461 5.142 1.00 0.00 H new ATOM 822 N VAL A 52 0.666 1.518 7.141 1.00 0.00 N ATOM 823 CA VAL A 52 1.934 2.227 7.126 1.00 0.00 C ATOM 824 C VAL A 52 1.859 3.376 6.118 1.00 0.00 C ATOM 825 O VAL A 52 1.482 3.172 4.965 1.00 0.00 O ATOM 826 CB VAL A 52 3.076 1.251 6.835 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.323 1.994 6.351 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.391 0.393 8.062 1.00 0.00 C ATOM 0 H VAL A 52 0.443 1.024 6.277 1.00 0.00 H new ATOM 0 HA VAL A 52 2.139 2.664 8.103 1.00 0.00 H new ATOM 0 HB VAL A 52 2.751 0.585 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.119 1.277 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.089 2.540 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.650 2.695 7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.206 -0.292 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.685 1.037 8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.506 -0.179 8.343 1.00 0.00 H new ATOM 838 N CYS A 53 2.223 4.559 6.591 1.00 0.00 N ATOM 839 CA CYS A 53 2.201 5.741 5.746 1.00 0.00 C ATOM 840 C CYS A 53 3.645 6.191 5.512 1.00 0.00 C ATOM 841 O CYS A 53 4.472 6.132 6.420 1.00 0.00 O ATOM 842 CB CYS A 53 1.348 6.856 6.354 1.00 0.00 C ATOM 843 SG CYS A 53 -0.208 6.291 7.135 1.00 0.00 S ATOM 0 H CYS A 53 2.535 4.724 7.548 1.00 0.00 H new ATOM 0 HA CYS A 53 1.737 5.499 4.790 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.942 7.383 7.100 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.105 7.576 5.573 1.00 0.00 H new ATOM 848 N CYS A 54 3.903 6.631 4.289 1.00 0.00 N ATOM 849 CA CYS A 54 5.233 7.091 3.925 1.00 0.00 C ATOM 850 C CYS A 54 5.090 8.385 3.121 1.00 0.00 C ATOM 851 O CYS A 54 4.149 8.536 2.342 1.00 0.00 O ATOM 852 CB CYS A 54 6.009 6.022 3.153 1.00 0.00 C ATOM 853 SG CYS A 54 4.973 4.895 2.151 1.00 0.00 S ATOM 0 H CYS A 54 3.214 6.679 3.538 1.00 0.00 H new ATOM 0 HA CYS A 54 5.813 7.287 4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.724 6.516 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.586 5.428 3.862 1.00 0.00 H new ATOM 858 N ASN A 55 6.037 9.286 3.336 1.00 0.00 N ATOM 859 CA ASN A 55 6.028 10.562 2.641 1.00 0.00 C ATOM 860 C ASN A 55 6.984 10.495 1.449 1.00 0.00 C ATOM 861 O ASN A 55 7.782 11.407 1.236 1.00 0.00 O ATOM 862 CB ASN A 55 6.496 11.692 3.560 1.00 0.00 C ATOM 863 CG ASN A 55 7.872 11.383 4.153 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.906 11.695 3.585 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.828 10.754 5.324 1.00 0.00 N ATOM 0 H ASN A 55 6.816 9.158 3.982 1.00 0.00 H new ATOM 0 HA ASN A 55 5.007 10.762 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.539 12.626 3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.774 11.835 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.694 10.504 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.928 10.522 5.745 1.00 0.00 H new ATOM 872 N THR A 56 6.873 9.405 0.703 1.00 0.00 N ATOM 873 CA THR A 56 7.718 9.208 -0.463 1.00 0.00 C ATOM 874 C THR A 56 6.872 8.809 -1.674 1.00 0.00 C ATOM 875 O THR A 56 5.841 8.155 -1.526 1.00 0.00 O ATOM 876 CB THR A 56 8.787 8.174 -0.102 1.00 0.00 C ATOM 877 OG1 THR A 56 8.152 7.342 0.865 1.00 0.00 O ATOM 878 CG2 THR A 56 9.966 8.790 0.653 1.00 0.00 C ATOM 0 H THR A 56 6.211 8.650 0.883 1.00 0.00 H new ATOM 0 HA THR A 56 8.221 10.132 -0.748 1.00 0.00 H new ATOM 0 HB THR A 56 9.149 7.694 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.774 6.642 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.695 8.014 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.435 9.555 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.609 9.241 1.579 1.00 0.00 H new ATOM 886 N ASP A 57 7.340 9.220 -2.843 1.00 0.00 N ATOM 887 CA ASP A 57 6.639 8.914 -4.079 1.00 0.00 C ATOM 888 C ASP A 57 6.704 7.407 -4.337 1.00 0.00 C ATOM 889 O ASP A 57 7.736 6.779 -4.109 1.00 0.00 O ATOM 890 CB ASP A 57 7.284 9.626 -5.269 1.00 0.00 C ATOM 891 CG ASP A 57 7.218 11.154 -5.222 1.00 0.00 C ATOM 892 OD1 ASP A 57 6.086 11.676 -5.316 1.00 0.00 O ATOM 893 OD2 ASP A 57 8.301 11.765 -5.093 1.00 0.00 O ATOM 0 H ASP A 57 8.196 9.762 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 57 5.608 9.250 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.330 9.324 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.799 9.284 -6.184 1.00 0.00 H new ATOM 898 N LYS A 58 5.587 6.872 -4.809 1.00 0.00 N ATOM 899 CA LYS A 58 5.505 5.451 -5.101 1.00 0.00 C ATOM 900 C LYS A 58 6.158 4.662 -3.964 1.00 0.00 C ATOM 901 O LYS A 58 7.050 3.848 -4.201 1.00 0.00 O ATOM 902 CB LYS A 58 6.099 5.151 -6.479 1.00 0.00 C ATOM 903 CG LYS A 58 5.409 5.978 -7.565 1.00 0.00 C ATOM 904 CD LYS A 58 5.906 5.579 -8.956 1.00 0.00 C ATOM 905 CE LYS A 58 5.403 6.558 -10.019 1.00 0.00 C ATOM 906 NZ LYS A 58 3.929 6.492 -10.129 1.00 0.00 N ATOM 0 H LYS A 58 4.732 7.397 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 58 4.464 5.133 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.167 5.369 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.992 4.089 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.330 5.835 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.600 7.038 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.996 5.556 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.564 4.572 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.709 7.572 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.856 6.323 -10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.615 7.072 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.636 5.505 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.499 6.852 -9.253 1.00 0.00 H new ATOM 920 N CYS A 59 5.689 4.931 -2.755 1.00 0.00 N ATOM 921 CA CYS A 59 6.217 4.256 -1.581 1.00 0.00 C ATOM 922 C CYS A 59 5.245 3.141 -1.190 1.00 0.00 C ATOM 923 O CYS A 59 5.667 2.041 -0.837 1.00 0.00 O ATOM 924 CB CYS A 59 6.458 5.233 -0.428 1.00 0.00 C ATOM 925 SG CYS A 59 4.939 5.886 0.356 1.00 0.00 S ATOM 0 H CYS A 59 4.950 5.607 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 59 7.190 3.823 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.057 4.733 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.048 6.071 -0.798 1.00 0.00 H new ATOM 930 N ASN A 60 3.962 3.464 -1.266 1.00 0.00 N ATOM 931 CA ASN A 60 2.927 2.503 -0.925 1.00 0.00 C ATOM 932 C ASN A 60 2.714 1.550 -2.103 1.00 0.00 C ATOM 933 O ASN A 60 3.598 0.764 -2.439 1.00 0.00 O ATOM 934 CB ASN A 60 1.598 3.204 -0.637 1.00 0.00 C ATOM 935 CG ASN A 60 1.094 3.952 -1.873 1.00 0.00 C ATOM 936 OD1 ASN A 60 1.834 4.245 -2.798 1.00 0.00 O ATOM 937 ND2 ASN A 60 -0.203 4.245 -1.836 1.00 0.00 N ATOM 0 H ASN A 60 3.616 4.378 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 60 3.249 1.962 -0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.856 2.470 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.723 3.903 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.635 4.745 -2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.765 3.970 -1.031 1.00 0.00 H new TER 944 ASN A 60 HETATM 945 O HOH A 61 -1.077 -8.667 3.167 1.00 0.00 O HETATM 948 O HOH A 62 7.606 -12.201 7.483 1.00 0.00 O