USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 137:sc= 1.52 (180deg=0.401) USER MOD Single : A 2 LYS NZ :NH3+ -104:sc= -0.776 (180deg=-2.41!) USER MOD Single : A 4 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.8) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -113:sc= 0.81 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.11 K(o=0.11,f=-0.53) 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 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.495 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0344) USER MOD Single : A 45 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= 0.451 (180deg=-0.687) USER MOD Single : A 55 ASN : amide:sc=-0.00806 X(o=-0.0081,f=-0.18) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 60 ASN : amide:sc= 0.0212 K(o=0.021,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.687 13.166 -0.152 1.00 2.00 N ATOM 2 CA LEU A 1 0.066 12.318 -1.202 1.00 2.00 C ATOM 3 C LEU A 1 -1.454 12.024 -0.963 1.00 2.00 C ATOM 4 O LEU A 1 -1.865 11.770 0.172 1.00 2.00 O ATOM 5 CB LEU A 1 0.846 10.986 -1.195 1.00 2.00 C ATOM 6 CG LEU A 1 0.451 9.957 -2.287 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.093 10.287 -3.642 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.815 8.552 -1.807 1.00 2.00 C ATOM 0 H1 LEU A 1 1.621 12.782 0.097 1.00 2.00 H new ATOM 0 H2 LEU A 1 0.796 14.137 -0.509 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.080 13.174 0.692 1.00 2.00 H new ATOM 0 HA LEU A 1 0.118 12.847 -2.154 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.907 11.210 -1.302 1.00 2.00 H new ATOM 0 HB3 LEU A 1 0.716 10.518 -0.219 1.00 2.00 H new ATOM 0 HG LEU A 1 -0.626 10.005 -2.447 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.791 9.542 -4.379 1.00 2.00 H new ATOM 0 HD12 LEU A 1 0.766 11.274 -3.969 1.00 2.00 H new ATOM 0 HD13 LEU A 1 2.178 10.279 -3.542 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.540 7.824 -2.570 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.888 8.497 -1.623 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.277 8.332 -0.885 1.00 2.00 H new ATOM 22 N LYS A 2 -2.280 12.080 -2.017 1.00 2.00 N ATOM 23 CA LYS A 2 -3.746 11.808 -1.924 1.00 2.00 C ATOM 24 C LYS A 2 -3.920 10.266 -2.170 1.00 2.00 C ATOM 25 O LYS A 2 -3.325 9.741 -3.113 1.00 2.00 O ATOM 26 CB LYS A 2 -4.547 12.646 -2.960 1.00 2.00 C ATOM 27 CG LYS A 2 -4.290 14.175 -2.984 1.00 2.00 C ATOM 28 CD LYS A 2 -5.337 14.986 -3.775 1.00 2.00 C ATOM 29 CE LYS A 2 -6.574 15.352 -2.935 1.00 2.00 C ATOM 30 NZ LYS A 2 -7.636 15.904 -3.805 1.00 2.00 N ATOM 0 H LYS A 2 -1.966 12.313 -2.959 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.138 12.095 -0.948 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.332 12.251 -3.953 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.609 12.485 -2.776 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -4.263 14.543 -1.958 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -3.306 14.359 -3.414 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -4.875 15.900 -4.148 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -5.653 14.410 -4.645 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -6.943 14.469 -2.414 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -6.302 16.082 -2.173 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -7.678 16.937 -3.689 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -7.426 15.675 -4.797 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -8.552 15.489 -3.541 1.00 2.00 H new ATOM 43 N CYS A 3 -4.647 9.502 -1.345 1.00 2.00 N ATOM 44 CA CYS A 3 -4.819 8.029 -1.565 1.00 2.00 C ATOM 45 C CYS A 3 -6.301 7.542 -1.467 1.00 2.00 C ATOM 46 O CYS A 3 -7.238 8.342 -1.431 1.00 2.00 O ATOM 47 CB CYS A 3 -3.807 7.312 -0.629 1.00 2.00 C ATOM 48 SG CYS A 3 -2.108 7.552 -1.179 1.00 2.00 S ATOM 0 H CYS A 3 -5.129 9.860 -0.520 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.588 7.763 -2.596 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -3.918 7.692 0.387 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.032 6.246 -0.597 1.00 2.00 H new ATOM 53 N ASN A 4 -6.497 6.214 -1.478 1.00 2.00 N ATOM 54 CA ASN A 4 -7.834 5.583 -1.392 1.00 2.00 C ATOM 55 C ASN A 4 -7.869 4.375 -0.409 1.00 2.00 C ATOM 56 O ASN A 4 -7.137 3.408 -0.626 1.00 2.00 O ATOM 57 CB ASN A 4 -8.270 5.023 -2.785 1.00 2.00 C ATOM 58 CG ASN A 4 -8.433 5.961 -3.979 1.00 2.00 C ATOM 59 OD1 ASN A 4 -8.648 7.162 -3.879 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.354 5.410 -5.164 1.00 2.00 N ATOM 0 H ASN A 4 -5.734 5.541 -1.547 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.502 6.369 -1.039 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.542 4.264 -3.069 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.223 4.513 -2.643 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.471 5.981 -6.001 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.175 4.410 -5.250 1.00 2.00 H new ATOM 67 N LYS A 5 -8.676 4.398 0.668 1.00 2.00 N ATOM 68 CA LYS A 5 -8.767 3.258 1.642 1.00 2.00 C ATOM 69 C LYS A 5 -9.515 2.017 0.978 1.00 2.00 C ATOM 70 O LYS A 5 -9.935 2.117 -0.181 1.00 2.00 O ATOM 71 CB LYS A 5 -9.385 3.785 2.969 1.00 2.00 C ATOM 72 CG LYS A 5 -10.916 4.067 2.991 1.00 2.00 C ATOM 73 CD LYS A 5 -11.340 5.421 3.593 1.00 2.00 C ATOM 74 CE LYS A 5 -10.913 6.619 2.730 1.00 2.00 C ATOM 75 NZ LYS A 5 -11.576 7.847 3.204 1.00 2.00 N ATOM 0 H LYS A 5 -9.280 5.187 0.899 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.783 2.868 1.901 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.166 3.060 3.753 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -8.870 4.708 3.236 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.291 4.012 1.969 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.405 3.272 3.554 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -12.423 5.435 3.715 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -10.906 5.523 4.587 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -9.831 6.741 2.773 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -11.172 6.436 1.687 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -11.281 8.651 2.614 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -12.608 7.731 3.140 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -11.308 8.027 4.193 1.00 2.00 H new ATOM 88 N LEU A 6 -9.683 0.838 1.616 1.00 2.00 N ATOM 89 CA LEU A 6 -10.393 -0.333 0.970 1.00 2.00 C ATOM 90 C LEU A 6 -11.783 -0.104 0.276 1.00 2.00 C ATOM 91 O LEU A 6 -12.009 -0.658 -0.801 1.00 2.00 O ATOM 92 CB LEU A 6 -10.648 -1.482 1.993 1.00 2.00 C ATOM 93 CG LEU A 6 -9.480 -2.360 2.468 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.052 -3.461 3.382 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.725 -3.027 1.311 1.00 2.00 C ATOM 0 H LEU A 6 -9.350 0.654 2.562 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.677 -0.558 0.179 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.098 -1.034 2.879 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.395 -2.145 1.557 1.00 2.00 H new ATOM 0 HG LEU A 6 -8.770 -1.718 2.990 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.242 -4.100 3.733 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.549 -3.002 4.237 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -10.770 -4.061 2.823 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -7.912 -3.634 1.709 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -9.409 -3.662 0.748 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.317 -2.260 0.653 1.00 2.00 H new ATOM 107 N ILE A 7 -12.684 0.665 0.913 1.00 2.00 N ATOM 108 CA ILE A 7 -14.057 0.996 0.417 1.00 2.00 C ATOM 109 C ILE A 7 -14.219 1.192 -1.145 1.00 2.00 C ATOM 110 O ILE A 7 -13.323 1.821 -1.718 1.00 2.00 O ATOM 111 CB ILE A 7 -14.566 2.260 1.233 1.00 2.00 C ATOM 112 CG1 ILE A 7 -14.546 2.144 2.792 1.00 2.00 C ATOM 113 CG2 ILE A 7 -15.964 2.810 0.832 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.372 0.999 3.412 1.00 2.00 C ATOM 0 H ILE A 7 -12.483 1.093 1.817 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.678 0.118 0.595 1.00 2.00 H new ATOM 0 HB ILE A 7 -13.794 2.965 0.925 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -13.510 2.028 3.111 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.904 3.086 3.208 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.208 3.671 1.454 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.950 3.111 -0.215 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.715 2.034 0.976 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.275 1.027 4.497 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -16.420 1.117 3.138 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.005 0.043 3.040 1.00 2.00 H new ATOM 126 N PRO A 8 -15.290 0.716 -1.867 1.00 2.00 N ATOM 127 CA PRO A 8 -15.443 0.901 -3.347 1.00 2.00 C ATOM 128 C PRO A 8 -14.981 2.252 -3.988 1.00 2.00 C ATOM 129 O PRO A 8 -14.197 2.239 -4.939 1.00 2.00 O ATOM 130 CB PRO A 8 -16.916 0.518 -3.566 1.00 2.00 C ATOM 131 CG PRO A 8 -17.162 -0.574 -2.522 1.00 2.00 C ATOM 132 CD PRO A 8 -16.366 -0.122 -1.295 1.00 2.00 C ATOM 0 HA PRO A 8 -14.735 0.281 -3.897 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.578 1.371 -3.418 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -17.089 0.152 -4.578 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -18.223 -0.671 -2.292 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.823 -1.547 -2.878 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.987 0.443 -0.600 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.962 -0.971 -0.744 1.00 2.00 H new ATOM 140 N ILE A 9 -15.448 3.392 -3.451 1.00 2.00 N ATOM 141 CA ILE A 9 -15.078 4.750 -3.958 1.00 2.00 C ATOM 142 C ILE A 9 -13.719 5.160 -3.282 1.00 2.00 C ATOM 143 O ILE A 9 -12.682 5.148 -3.948 1.00 2.00 O ATOM 144 CB ILE A 9 -16.298 5.744 -3.923 1.00 2.00 C ATOM 145 CG1 ILE A 9 -15.959 7.083 -4.639 1.00 2.00 C ATOM 146 CG2 ILE A 9 -16.929 6.001 -2.526 1.00 2.00 C ATOM 147 CD1 ILE A 9 -17.171 7.935 -5.058 1.00 2.00 C ATOM 0 H ILE A 9 -16.089 3.412 -2.658 1.00 2.00 H new ATOM 0 HA ILE A 9 -14.865 4.771 -5.027 1.00 2.00 H new ATOM 0 HB ILE A 9 -17.078 5.220 -4.476 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -15.329 7.679 -3.979 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -15.369 6.860 -5.528 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -17.759 6.700 -2.625 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -17.294 5.061 -2.113 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -16.177 6.423 -1.859 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -16.824 8.845 -5.548 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -17.794 7.366 -5.748 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -17.754 8.198 -4.175 1.00 2.00 H new ATOM 159 N ALA A 10 -13.723 5.476 -1.969 1.00 2.00 N ATOM 160 CA ALA A 10 -12.525 5.876 -1.180 1.00 2.00 C ATOM 161 C ALA A 10 -11.694 7.138 -1.621 1.00 2.00 C ATOM 162 O ALA A 10 -11.425 7.377 -2.799 1.00 2.00 O ATOM 163 CB ALA A 10 -11.702 4.603 -0.971 1.00 2.00 C ATOM 0 H ALA A 10 -14.576 5.461 -1.410 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.889 6.293 -0.241 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.807 4.839 -0.395 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.299 3.869 -0.430 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.413 4.193 -1.939 1.00 2.00 H new ATOM 169 N SER A 11 -11.281 7.972 -0.646 1.00 2.00 N ATOM 170 CA SER A 11 -10.485 9.211 -0.908 1.00 2.00 C ATOM 171 C SER A 11 -9.494 9.530 0.282 1.00 2.00 C ATOM 172 O SER A 11 -8.927 8.616 0.885 1.00 2.00 O ATOM 173 CB SER A 11 -11.568 10.284 -1.272 1.00 2.00 C ATOM 174 OG SER A 11 -11.031 11.564 -1.606 1.00 2.00 O ATOM 0 H SER A 11 -11.482 7.817 0.342 1.00 2.00 H new ATOM 0 HA SER A 11 -9.777 9.142 -1.734 1.00 2.00 H new ATOM 0 HB2 SER A 11 -12.158 9.919 -2.113 1.00 2.00 H new ATOM 0 HB3 SER A 11 -12.250 10.397 -0.429 1.00 2.00 H new ATOM 0 HG SER A 11 -11.288 12.216 -0.921 1.00 2.00 H new ATOM 180 N LYS A 12 -9.281 10.821 0.612 1.00 2.00 N ATOM 181 CA LYS A 12 -8.378 11.317 1.706 1.00 2.00 C ATOM 182 C LYS A 12 -6.902 11.645 1.260 1.00 2.00 C ATOM 183 O LYS A 12 -6.502 11.437 0.109 1.00 2.00 O ATOM 184 CB LYS A 12 -8.506 10.533 3.061 1.00 2.00 C ATOM 185 CG LYS A 12 -8.432 11.383 4.362 1.00 2.00 C ATOM 186 CD LYS A 12 -7.596 10.769 5.504 1.00 2.00 C ATOM 187 CE LYS A 12 -8.188 9.475 6.085 1.00 2.00 C ATOM 188 NZ LYS A 12 -7.399 9.047 7.256 1.00 2.00 N ATOM 0 H LYS A 12 -9.742 11.583 0.116 1.00 2.00 H new ATOM 0 HA LYS A 12 -8.781 12.302 1.941 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -9.455 9.997 3.057 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -7.716 9.783 3.098 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -8.017 12.360 4.115 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -9.446 11.550 4.725 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -6.591 10.563 5.135 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -7.498 11.503 6.304 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -9.226 9.637 6.374 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -8.186 8.691 5.328 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -7.803 8.171 7.646 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -6.415 8.876 6.968 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -7.422 9.792 7.981 1.00 2.00 H new ATOM 201 N THR A 13 -6.090 12.191 2.189 1.00 2.00 N ATOM 202 CA THR A 13 -4.666 12.570 1.936 1.00 2.00 C ATOM 203 C THR A 13 -3.760 12.534 3.214 1.00 2.00 C ATOM 204 O THR A 13 -4.204 12.784 4.337 1.00 2.00 O ATOM 205 CB THR A 13 -4.691 14.057 1.391 1.00 2.00 C ATOM 206 OG1 THR A 13 -5.470 14.183 0.207 1.00 2.00 O ATOM 207 CG2 THR A 13 -3.358 14.726 1.010 1.00 2.00 C ATOM 0 H THR A 13 -6.396 12.386 3.142 1.00 2.00 H new ATOM 0 HA THR A 13 -4.241 11.849 1.238 1.00 2.00 H new ATOM 0 HB THR A 13 -5.092 14.556 2.273 1.00 2.00 H new ATOM 0 HG1 THR A 13 -5.460 15.116 -0.094 1.00 2.00 H new ATOM 0 HG21 THR A 13 -3.548 15.739 0.656 1.00 2.00 H new ATOM 0 HG22 THR A 13 -2.707 14.763 1.883 1.00 2.00 H new ATOM 0 HG23 THR A 13 -2.875 14.150 0.221 1.00 2.00 H new ATOM 215 N CYS A 14 -2.469 12.235 3.006 1.00 2.00 N ATOM 216 CA CYS A 14 -1.435 12.160 4.078 1.00 2.00 C ATOM 217 C CYS A 14 -0.117 12.934 3.608 1.00 2.00 C ATOM 218 O CYS A 14 -0.075 13.418 2.466 1.00 2.00 O ATOM 219 CB CYS A 14 -1.335 10.713 4.612 1.00 2.00 C ATOM 220 SG CYS A 14 0.142 9.862 4.059 1.00 2.00 S ATOM 0 H CYS A 14 -2.097 12.034 2.078 1.00 2.00 H new ATOM 0 HA CYS A 14 -1.700 12.705 4.984 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -1.350 10.732 5.702 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -2.213 10.152 4.291 1.00 2.00 H new ATOM 225 N PRO A 15 0.987 13.094 4.396 1.00 2.00 N ATOM 226 CA PRO A 15 2.223 13.830 3.953 1.00 2.00 C ATOM 227 C PRO A 15 3.045 13.560 2.640 1.00 2.00 C ATOM 228 O PRO A 15 2.758 12.673 1.829 1.00 2.00 O ATOM 229 CB PRO A 15 3.118 13.630 5.202 1.00 2.00 C ATOM 230 CG PRO A 15 2.163 13.564 6.388 1.00 2.00 C ATOM 231 CD PRO A 15 0.993 12.757 5.840 1.00 2.00 C ATOM 0 HA PRO A 15 1.877 14.810 3.624 1.00 2.00 H new ATOM 0 HB2 PRO A 15 3.705 12.715 5.121 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.824 14.453 5.313 1.00 2.00 H new ATOM 0 HG2 PRO A 15 2.621 13.077 7.249 1.00 2.00 H new ATOM 0 HG3 PRO A 15 1.852 14.557 6.712 1.00 2.00 H new ATOM 0 HD2 PRO A 15 1.132 11.688 6.002 1.00 2.00 H new ATOM 0 HD3 PRO A 15 0.055 13.033 6.321 1.00 2.00 H new ATOM 239 N ALA A 16 4.019 14.464 2.386 1.00 2.00 N ATOM 240 CA ALA A 16 4.941 14.408 1.207 1.00 2.00 C ATOM 241 C ALA A 16 6.051 13.342 1.511 1.00 2.00 C ATOM 242 O ALA A 16 6.191 12.907 2.666 1.00 2.00 O ATOM 243 CB ALA A 16 5.480 15.837 1.001 1.00 2.00 C ATOM 0 H ALA A 16 4.196 15.264 2.994 1.00 2.00 H new ATOM 0 HA ALA A 16 4.458 14.096 0.281 1.00 2.00 H new ATOM 0 HB1 ALA A 16 6.160 15.850 0.149 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.648 16.516 0.812 1.00 2.00 H new ATOM 0 HB3 ALA A 16 6.013 16.157 1.896 1.00 2.00 H new ATOM 249 N GLY A 17 6.913 12.921 0.559 1.00 2.00 N ATOM 250 CA GLY A 17 7.955 11.869 0.898 1.00 2.00 C ATOM 251 C GLY A 17 7.257 10.475 0.761 1.00 2.00 C ATOM 252 O GLY A 17 7.746 9.569 0.089 1.00 2.00 O ATOM 0 H GLY A 17 6.930 13.257 -0.404 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.809 11.941 0.225 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.334 12.013 1.910 1.00 2.00 H new ATOM 256 N LYS A 18 6.076 10.355 1.417 1.00 2.00 N ATOM 257 CA LYS A 18 5.195 9.179 1.453 1.00 2.00 C ATOM 258 C LYS A 18 4.426 9.226 0.072 1.00 2.00 C ATOM 259 O LYS A 18 3.246 9.567 0.010 1.00 2.00 O ATOM 260 CB LYS A 18 4.256 9.304 2.696 1.00 2.00 C ATOM 261 CG LYS A 18 4.881 9.471 4.106 1.00 2.00 C ATOM 262 CD LYS A 18 5.567 8.213 4.662 1.00 2.00 C ATOM 263 CE LYS A 18 6.201 8.473 6.035 1.00 2.00 C ATOM 264 NZ LYS A 18 6.874 7.248 6.508 1.00 2.00 N ATOM 0 H LYS A 18 5.698 11.127 1.965 1.00 2.00 H new ATOM 0 HA LYS A 18 5.707 8.223 1.561 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.599 10.157 2.526 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.625 8.416 2.721 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.611 10.280 4.071 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.099 9.778 4.800 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.838 7.407 4.744 1.00 2.00 H new ATOM 0 HD3 LYS A 18 6.334 7.878 3.964 1.00 2.00 H new ATOM 0 HE2 LYS A 18 6.918 9.291 5.967 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.436 8.779 6.748 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.303 7.425 7.439 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 6.179 6.479 6.588 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.615 6.976 5.831 1.00 2.00 H new ATOM 277 N ASN A 19 5.138 8.930 -1.033 1.00 2.00 N ATOM 278 CA ASN A 19 4.616 8.924 -2.429 1.00 2.00 C ATOM 279 C ASN A 19 3.841 7.712 -3.010 1.00 2.00 C ATOM 280 O ASN A 19 3.116 7.879 -3.991 1.00 2.00 O ATOM 281 CB ASN A 19 5.808 9.321 -3.350 1.00 2.00 C ATOM 282 CG ASN A 19 6.891 8.255 -3.584 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.805 7.450 -4.501 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.909 8.188 -2.767 1.00 2.00 N ATOM 0 H ASN A 19 6.126 8.679 -0.985 1.00 2.00 H new ATOM 0 HA ASN A 19 3.785 9.629 -2.390 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.405 9.614 -4.320 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.286 10.203 -2.924 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.621 7.470 -2.898 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.991 8.854 -1.999 1.00 2.00 H new ATOM 291 N LEU A 20 4.001 6.526 -2.441 1.00 2.00 N ATOM 292 CA LEU A 20 3.321 5.312 -2.906 1.00 2.00 C ATOM 293 C LEU A 20 1.926 5.102 -2.256 1.00 2.00 C ATOM 294 O LEU A 20 1.797 5.016 -1.028 1.00 2.00 O ATOM 295 CB LEU A 20 4.203 4.090 -2.547 1.00 2.00 C ATOM 296 CG LEU A 20 5.630 3.924 -3.116 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.208 2.619 -2.586 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.694 3.841 -4.633 1.00 2.00 C ATOM 0 H LEU A 20 4.610 6.371 -1.637 1.00 2.00 H new ATOM 0 HA LEU A 20 3.171 5.419 -3.980 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.292 4.073 -1.461 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.643 3.200 -2.835 1.00 2.00 H new ATOM 0 HG LEU A 20 6.183 4.811 -2.806 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.216 2.483 -2.976 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.242 2.652 -1.497 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.580 1.787 -2.905 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.731 3.725 -4.948 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.113 2.984 -4.975 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.283 4.754 -5.065 1.00 2.00 H new ATOM 310 N CYS A 21 0.855 5.062 -3.066 1.00 2.00 N ATOM 311 CA CYS A 21 -0.519 4.848 -2.541 1.00 2.00 C ATOM 312 C CYS A 21 -0.527 3.270 -2.454 1.00 2.00 C ATOM 313 O CYS A 21 -0.600 2.568 -3.471 1.00 2.00 O ATOM 314 CB CYS A 21 -1.570 5.453 -3.490 1.00 2.00 C ATOM 315 SG CYS A 21 -1.876 7.198 -3.149 1.00 2.00 S ATOM 0 H CYS A 21 0.905 5.173 -4.079 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.765 5.327 -1.593 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.234 5.340 -4.521 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.503 4.898 -3.397 1.00 2.00 H new ATOM 320 N TYR A 22 -0.330 2.714 -1.245 1.00 2.00 N ATOM 321 CA TYR A 22 -0.301 1.247 -1.034 1.00 2.00 C ATOM 322 C TYR A 22 -1.634 0.445 -1.044 1.00 2.00 C ATOM 323 O TYR A 22 -2.719 0.959 -0.785 1.00 2.00 O ATOM 324 CB TYR A 22 0.595 0.920 0.206 1.00 2.00 C ATOM 325 CG TYR A 22 0.022 1.061 1.637 1.00 2.00 C ATOM 326 CD1 TYR A 22 -0.822 0.084 2.182 1.00 2.00 C ATOM 327 CD2 TYR A 22 0.417 2.132 2.439 1.00 2.00 C ATOM 328 CE1 TYR A 22 -1.276 0.195 3.496 1.00 2.00 C ATOM 329 CE2 TYR A 22 -0.007 2.224 3.763 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.857 1.259 4.287 1.00 2.00 C ATOM 331 OH TYR A 22 -1.292 1.374 5.577 1.00 2.00 O ATOM 0 H TYR A 22 -0.188 3.257 -0.393 1.00 2.00 H new ATOM 0 HA TYR A 22 0.135 0.867 -1.958 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.938 -0.108 0.095 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.476 1.559 0.146 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.123 -0.761 1.580 1.00 2.00 H new ATOM 0 HD2 TYR A 22 1.058 2.898 2.029 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -1.952 -0.545 3.899 1.00 2.00 H new ATOM 0 HE2 TYR A 22 0.325 3.045 4.381 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.900 2.175 5.984 1.00 2.00 H new ATOM 341 N LYS A 23 -1.492 -0.861 -1.275 1.00 2.00 N ATOM 342 CA LYS A 23 -2.601 -1.840 -1.326 1.00 2.00 C ATOM 343 C LYS A 23 -2.017 -3.082 -0.573 1.00 2.00 C ATOM 344 O LYS A 23 -1.190 -3.835 -1.091 1.00 2.00 O ATOM 345 CB LYS A 23 -3.027 -2.028 -2.804 1.00 2.00 C ATOM 346 CG LYS A 23 -4.346 -2.788 -3.045 1.00 2.00 C ATOM 347 CD LYS A 23 -5.024 -2.446 -4.391 1.00 2.00 C ATOM 348 CE LYS A 23 -4.183 -2.695 -5.656 1.00 2.00 C ATOM 349 NZ LYS A 23 -4.951 -2.263 -6.841 1.00 2.00 N ATOM 0 H LYS A 23 -0.580 -1.288 -1.438 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.537 -1.560 -0.842 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -3.111 -1.043 -3.263 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -2.228 -2.556 -3.325 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -4.149 -3.859 -3.010 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -5.038 -2.564 -2.233 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -5.943 -3.028 -4.470 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -5.313 -1.395 -4.372 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -3.243 -2.146 -5.597 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -3.930 -3.752 -5.737 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -4.388 -2.429 -7.699 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -5.836 -2.806 -6.898 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -5.171 -1.250 -6.762 1.00 2.00 H new ATOM 362 N MET A 24 -2.371 -3.219 0.711 1.00 2.00 N ATOM 363 CA MET A 24 -1.922 -4.325 1.604 1.00 2.00 C ATOM 364 C MET A 24 -2.520 -5.735 1.258 1.00 2.00 C ATOM 365 O MET A 24 -3.391 -6.240 1.962 1.00 2.00 O ATOM 366 CB MET A 24 -2.281 -3.782 3.030 1.00 2.00 C ATOM 367 CG MET A 24 -1.851 -4.576 4.284 1.00 2.00 C ATOM 368 SD MET A 24 -2.843 -4.201 5.738 1.00 2.00 S ATOM 369 CE MET A 24 -1.832 -2.927 6.512 1.00 2.00 C ATOM 0 H MET A 24 -2.990 -2.557 1.179 1.00 2.00 H new ATOM 0 HA MET A 24 -0.860 -4.547 1.499 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.853 -2.783 3.115 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.364 -3.669 3.072 1.00 2.00 H new ATOM 0 HG2 MET A 24 -1.919 -5.643 4.071 1.00 2.00 H new ATOM 0 HG3 MET A 24 -0.805 -4.361 4.501 1.00 2.00 H new ATOM 0 HE1 MET A 24 -2.313 -2.589 7.430 1.00 2.00 H new ATOM 0 HE2 MET A 24 -0.849 -3.335 6.746 1.00 2.00 H new ATOM 0 HE3 MET A 24 -1.722 -2.085 5.829 1.00 2.00 H new ATOM 379 N PHE A 25 -2.042 -6.394 0.189 1.00 2.00 N ATOM 380 CA PHE A 25 -2.529 -7.744 -0.238 1.00 2.00 C ATOM 381 C PHE A 25 -2.260 -8.839 0.849 1.00 2.00 C ATOM 382 O PHE A 25 -1.123 -8.954 1.307 1.00 2.00 O ATOM 383 CB PHE A 25 -1.780 -8.127 -1.554 1.00 2.00 C ATOM 384 CG PHE A 25 -2.297 -7.682 -2.938 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.220 -6.650 -3.129 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.853 -8.407 -4.051 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.723 -6.381 -4.401 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.363 -8.144 -5.319 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.297 -7.130 -5.493 1.00 2.00 C ATOM 0 H PHE A 25 -1.308 -6.018 -0.412 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.607 -7.697 -0.389 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.762 -7.749 -1.460 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.715 -9.215 -1.576 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.545 -6.058 -2.287 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -1.107 -9.178 -3.924 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.445 -5.590 -4.539 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -2.033 -8.727 -6.166 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.692 -6.923 -6.477 1.00 2.00 H new ATOM 399 N MET A 26 -3.271 -9.624 1.263 1.00 2.00 N ATOM 400 CA MET A 26 -3.097 -10.694 2.295 1.00 2.00 C ATOM 401 C MET A 26 -2.014 -11.767 1.935 1.00 2.00 C ATOM 402 O MET A 26 -2.066 -12.311 0.830 1.00 2.00 O ATOM 403 CB MET A 26 -4.425 -11.521 2.391 1.00 2.00 C ATOM 404 CG MET A 26 -5.700 -10.913 2.987 1.00 2.00 C ATOM 405 SD MET A 26 -7.101 -12.017 2.701 1.00 2.00 S ATOM 406 CE MET A 26 -6.970 -13.113 4.127 1.00 2.00 C ATOM 0 H MET A 26 -4.223 -9.547 0.905 1.00 2.00 H new ATOM 0 HA MET A 26 -2.809 -10.167 3.204 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.671 -11.847 1.380 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.200 -12.417 2.969 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.569 -10.748 4.056 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.895 -9.940 2.536 1.00 2.00 H new ATOM 0 HE1 MET A 26 -7.770 -13.853 4.092 1.00 2.00 H new ATOM 0 HE2 MET A 26 -6.005 -13.620 4.109 1.00 2.00 H new ATOM 0 HE3 MET A 26 -7.056 -12.529 5.044 1.00 2.00 H new ATOM 416 N MET A 27 -1.043 -12.097 2.814 1.00 2.00 N ATOM 417 CA MET A 27 -0.004 -13.142 2.476 1.00 2.00 C ATOM 418 C MET A 27 -0.692 -14.536 2.157 1.00 2.00 C ATOM 419 O MET A 27 -0.279 -15.249 1.241 1.00 2.00 O ATOM 420 CB MET A 27 1.070 -13.272 3.595 1.00 2.00 C ATOM 421 CG MET A 27 2.524 -12.940 3.190 1.00 2.00 C ATOM 422 SD MET A 27 3.620 -14.338 3.513 1.00 2.00 S ATOM 423 CE MET A 27 3.314 -15.339 2.047 1.00 2.00 C ATOM 0 H MET A 27 -0.942 -11.680 3.739 1.00 2.00 H new ATOM 0 HA MET A 27 0.518 -12.814 1.577 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.786 -12.617 4.419 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.046 -14.293 3.976 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.561 -12.681 2.132 1.00 2.00 H new ATOM 0 HG3 MET A 27 2.869 -12.067 3.744 1.00 2.00 H new ATOM 0 HE1 MET A 27 3.919 -16.245 2.092 1.00 2.00 H new ATOM 0 HE2 MET A 27 2.259 -15.609 2.004 1.00 2.00 H new ATOM 0 HE3 MET A 27 3.579 -14.770 1.156 1.00 2.00 H new ATOM 433 N SER A 28 -1.750 -14.898 2.920 1.00 2.00 N ATOM 434 CA SER A 28 -2.511 -16.160 2.743 1.00 2.00 C ATOM 435 C SER A 28 -3.358 -16.209 1.405 1.00 2.00 C ATOM 436 O SER A 28 -3.576 -17.292 0.858 1.00 2.00 O ATOM 437 CB SER A 28 -3.396 -16.387 3.992 1.00 2.00 C ATOM 438 OG SER A 28 -2.630 -16.476 5.197 1.00 2.00 O ATOM 0 H SER A 28 -2.103 -14.319 3.682 1.00 2.00 H new ATOM 0 HA SER A 28 -1.793 -16.974 2.644 1.00 2.00 H new ATOM 0 HB2 SER A 28 -4.112 -15.570 4.080 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.973 -17.303 3.863 1.00 2.00 H new ATOM 0 HG SER A 28 -3.232 -16.617 5.957 1.00 2.00 H new ATOM 444 N ASP A 29 -3.915 -15.072 0.929 1.00 2.00 N ATOM 445 CA ASP A 29 -4.725 -14.989 -0.319 1.00 2.00 C ATOM 446 C ASP A 29 -4.668 -13.522 -0.880 1.00 2.00 C ATOM 447 O ASP A 29 -5.580 -12.713 -0.699 1.00 2.00 O ATOM 448 CB ASP A 29 -6.169 -15.525 -0.108 1.00 2.00 C ATOM 449 CG ASP A 29 -6.878 -15.824 -1.431 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.231 -14.956 -2.227 1.00 2.00 O ATOM 451 OD2 ASP A 29 -7.028 -17.163 -1.643 1.00 2.00 O ATOM 0 H ASP A 29 -3.817 -14.174 1.402 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.296 -15.644 -1.077 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.133 -16.432 0.495 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.748 -14.792 0.454 1.00 2.00 H new ATOM 457 N LEU A 30 -3.612 -13.236 -1.645 1.00 2.00 N ATOM 458 CA LEU A 30 -3.324 -11.923 -2.290 1.00 2.00 C ATOM 459 C LEU A 30 -4.461 -11.121 -3.026 1.00 2.00 C ATOM 460 O LEU A 30 -4.521 -9.899 -2.892 1.00 2.00 O ATOM 461 CB LEU A 30 -2.169 -12.230 -3.309 1.00 2.00 C ATOM 462 CG LEU A 30 -0.753 -12.706 -2.866 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.054 -11.698 -1.952 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.684 -14.105 -2.227 1.00 2.00 C ATOM 0 H LEU A 30 -2.895 -13.932 -1.849 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.107 -11.241 -1.467 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.552 -12.989 -3.991 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.022 -11.322 -3.893 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.222 -12.779 -3.815 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.928 -12.080 -1.673 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.061 -10.750 -2.477 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.652 -11.546 -1.054 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.348 -14.332 -1.958 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.306 -14.127 -1.332 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.045 -14.848 -2.938 1.00 2.00 H new ATOM 476 N THR A 31 -5.333 -11.794 -3.798 1.00 2.00 N ATOM 477 CA THR A 31 -6.464 -11.170 -4.564 1.00 2.00 C ATOM 478 C THR A 31 -7.319 -10.027 -3.896 1.00 2.00 C ATOM 479 O THR A 31 -7.473 -8.954 -4.489 1.00 2.00 O ATOM 480 CB THR A 31 -7.391 -12.281 -5.169 1.00 2.00 C ATOM 481 OG1 THR A 31 -8.087 -13.005 -4.157 1.00 2.00 O ATOM 482 CG2 THR A 31 -6.725 -13.321 -6.085 1.00 2.00 C ATOM 0 H THR A 31 -5.284 -12.806 -3.919 1.00 2.00 H new ATOM 0 HA THR A 31 -5.930 -10.611 -5.333 1.00 2.00 H new ATOM 0 HB THR A 31 -8.060 -11.687 -5.792 1.00 2.00 H new ATOM 0 HG1 THR A 31 -7.457 -13.581 -3.675 1.00 2.00 H new ATOM 0 HG21 THR A 31 -7.475 -14.030 -6.435 1.00 2.00 H new ATOM 0 HG22 THR A 31 -6.275 -12.817 -6.940 1.00 2.00 H new ATOM 0 HG23 THR A 31 -5.953 -13.854 -5.530 1.00 2.00 H new ATOM 490 N ILE A 32 -7.899 -10.255 -2.705 1.00 2.00 N ATOM 491 CA ILE A 32 -8.729 -9.244 -1.980 1.00 2.00 C ATOM 492 C ILE A 32 -7.773 -8.538 -0.930 1.00 2.00 C ATOM 493 O ILE A 32 -7.365 -9.204 0.032 1.00 2.00 O ATOM 494 CB ILE A 32 -10.022 -9.900 -1.348 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.157 -10.253 -2.362 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.702 -9.007 -0.271 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.877 -11.401 -3.344 1.00 2.00 C ATOM 0 H ILE A 32 -7.813 -11.141 -2.208 1.00 2.00 H new ATOM 0 HA ILE A 32 -9.128 -8.488 -2.656 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.608 -10.813 -0.921 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.054 -10.502 -1.795 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.385 -9.358 -2.941 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.582 -9.517 0.121 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.000 -8.818 0.541 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.001 -8.060 -0.720 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.742 -11.545 -3.992 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -10.006 -11.156 -3.951 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.685 -12.318 -2.787 1.00 2.00 H new ATOM 509 N PRO A 33 -7.434 -7.214 -1.001 1.00 2.00 N ATOM 510 CA PRO A 33 -6.533 -6.569 -0.008 1.00 2.00 C ATOM 511 C PRO A 33 -7.047 -6.338 1.460 1.00 2.00 C ATOM 512 O PRO A 33 -8.235 -6.126 1.709 1.00 2.00 O ATOM 513 CB PRO A 33 -6.211 -5.213 -0.686 1.00 2.00 C ATOM 514 CG PRO A 33 -6.705 -5.315 -2.127 1.00 2.00 C ATOM 515 CD PRO A 33 -7.852 -6.314 -2.090 1.00 2.00 C ATOM 0 HA PRO A 33 -5.701 -7.245 0.189 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -6.705 -4.393 -0.165 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -5.140 -5.010 -0.657 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -7.040 -4.346 -2.497 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.910 -5.653 -2.792 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.807 -5.832 -1.878 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.964 -6.843 -3.037 1.00 2.00 H new ATOM 523 N VAL A 34 -6.114 -6.338 2.425 1.00 2.00 N ATOM 524 CA VAL A 34 -6.403 -6.122 3.890 1.00 2.00 C ATOM 525 C VAL A 34 -6.602 -4.587 4.211 1.00 2.00 C ATOM 526 O VAL A 34 -7.393 -4.198 5.072 1.00 2.00 O ATOM 527 CB VAL A 34 -5.257 -6.676 4.824 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.519 -6.506 6.345 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.943 -8.164 4.641 1.00 2.00 C ATOM 0 H VAL A 34 -5.124 -6.487 2.230 1.00 2.00 H new ATOM 0 HA VAL A 34 -7.320 -6.675 4.094 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.421 -6.057 4.499 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.679 -6.915 6.907 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.631 -5.447 6.579 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.431 -7.036 6.619 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -4.144 -8.454 5.324 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -5.835 -8.753 4.855 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.626 -8.345 3.614 1.00 2.00 H new ATOM 539 N LYS A 35 -5.796 -3.732 3.568 1.00 2.00 N ATOM 540 CA LYS A 35 -5.808 -2.264 3.710 1.00 2.00 C ATOM 541 C LYS A 35 -5.402 -1.591 2.364 1.00 2.00 C ATOM 542 O LYS A 35 -4.969 -2.209 1.386 1.00 2.00 O ATOM 543 CB LYS A 35 -4.936 -1.841 4.938 1.00 2.00 C ATOM 544 CG LYS A 35 -5.514 -0.721 5.836 1.00 2.00 C ATOM 545 CD LYS A 35 -6.611 -1.255 6.783 1.00 2.00 C ATOM 546 CE LYS A 35 -7.139 -0.181 7.743 1.00 2.00 C ATOM 547 NZ LYS A 35 -8.088 -0.792 8.694 1.00 2.00 N ATOM 0 H LYS A 35 -5.088 -4.053 2.908 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.815 -1.906 3.923 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.766 -2.722 5.557 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -3.962 -1.517 4.571 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -4.711 -0.276 6.424 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -5.927 0.070 5.210 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -7.438 -1.645 6.190 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -6.212 -2.089 7.361 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -6.311 0.277 8.284 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -7.631 0.613 7.182 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -8.445 -0.063 9.344 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -8.884 -1.209 8.170 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -7.604 -1.535 9.238 1.00 2.00 H new ATOM 560 N ARG A 36 -5.570 -0.277 2.311 1.00 2.00 N ATOM 561 CA ARG A 36 -5.245 0.548 1.118 1.00 2.00 C ATOM 562 C ARG A 36 -4.812 1.907 1.787 1.00 2.00 C ATOM 563 O ARG A 36 -5.612 2.543 2.479 1.00 2.00 O ATOM 564 CB ARG A 36 -6.492 0.451 0.180 1.00 2.00 C ATOM 565 CG ARG A 36 -6.268 0.304 -1.345 1.00 2.00 C ATOM 566 CD ARG A 36 -7.432 -0.345 -2.133 1.00 2.00 C ATOM 567 NE ARG A 36 -8.614 0.563 -2.182 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.620 0.509 -3.046 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.692 -0.339 -4.029 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.589 1.351 -2.894 1.00 2.00 N ATOM 0 H ARG A 36 -5.938 0.266 3.092 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.438 0.281 0.435 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.088 -0.400 0.510 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.096 1.344 0.340 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -6.077 1.292 -1.763 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.368 -0.290 -1.506 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -7.105 -0.578 -3.146 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.712 -1.288 -1.664 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.653 1.301 -1.479 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.945 -1.018 -4.172 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.496 -0.325 -4.657 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.563 2.026 -2.130 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.380 1.340 -3.538 1.00 2.00 H new ATOM 584 N GLY A 37 -3.541 2.338 1.680 1.00 2.00 N ATOM 585 CA GLY A 37 -3.088 3.618 2.309 1.00 2.00 C ATOM 586 C GLY A 37 -2.014 4.480 1.608 1.00 2.00 C ATOM 587 O GLY A 37 -1.967 4.560 0.383 1.00 2.00 O ATOM 0 H GLY A 37 -2.811 1.836 1.175 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -3.970 4.244 2.444 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.713 3.377 3.304 1.00 2.00 H new ATOM 591 N CYS A 38 -1.203 5.195 2.407 1.00 2.00 N ATOM 592 CA CYS A 38 -0.112 6.079 1.907 1.00 2.00 C ATOM 593 C CYS A 38 1.272 5.739 2.567 1.00 2.00 C ATOM 594 O CYS A 38 1.353 5.549 3.786 1.00 2.00 O ATOM 595 CB CYS A 38 -0.524 7.539 2.159 1.00 2.00 C ATOM 596 SG CYS A 38 -0.301 7.932 3.901 1.00 2.00 S ATOM 0 H CYS A 38 -1.279 5.182 3.424 1.00 2.00 H new ATOM 0 HA CYS A 38 0.026 5.916 0.838 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.077 8.209 1.544 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.565 7.689 1.871 1.00 2.00 H new ATOM 601 N ILE A 39 2.372 5.707 1.795 1.00 2.00 N ATOM 602 CA ILE A 39 3.746 5.385 2.329 1.00 2.00 C ATOM 603 C ILE A 39 4.921 5.764 1.347 1.00 2.00 C ATOM 604 O ILE A 39 4.696 6.051 0.176 1.00 2.00 O ATOM 605 CB ILE A 39 3.813 3.853 2.675 1.00 2.00 C ATOM 606 CG1 ILE A 39 5.034 3.416 3.540 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.674 2.980 1.392 1.00 2.00 C ATOM 608 CD1 ILE A 39 5.138 4.072 4.928 1.00 2.00 C ATOM 0 H ILE A 39 2.356 5.898 0.793 1.00 2.00 H new ATOM 0 HA ILE A 39 3.891 5.998 3.219 1.00 2.00 H new ATOM 0 HB ILE A 39 2.953 3.676 3.320 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.994 2.335 3.672 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.946 3.636 2.985 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.724 1.925 1.662 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.717 3.187 0.913 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.484 3.216 0.702 1.00 2.00 H new ATOM 0 HD11 ILE A 39 6.022 3.696 5.443 1.00 2.00 H new ATOM 0 HD12 ILE A 39 5.216 5.153 4.814 1.00 2.00 H new ATOM 0 HD13 ILE A 39 4.249 3.832 5.512 1.00 2.00 H new ATOM 620 N ASP A 40 6.187 5.800 1.802 1.00 2.00 N ATOM 621 CA ASP A 40 7.369 6.140 0.935 1.00 2.00 C ATOM 622 C ASP A 40 7.874 4.957 0.028 1.00 2.00 C ATOM 623 O ASP A 40 8.167 5.133 -1.154 1.00 2.00 O ATOM 624 CB ASP A 40 8.465 6.832 1.796 1.00 2.00 C ATOM 625 CG ASP A 40 9.207 5.997 2.841 1.00 2.00 C ATOM 626 OD1 ASP A 40 10.392 5.705 2.761 1.00 2.00 O ATOM 627 OD2 ASP A 40 8.409 5.607 3.870 1.00 2.00 O ATOM 0 H ASP A 40 6.436 5.599 2.770 1.00 2.00 H new ATOM 0 HA ASP A 40 7.044 6.862 0.186 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.208 7.248 1.115 1.00 2.00 H new ATOM 0 HB3 ASP A 40 8.000 7.672 2.312 1.00 2.00 H new ATOM 633 N VAL A 41 8.014 3.782 0.640 1.00 2.00 N ATOM 634 CA VAL A 41 8.466 2.494 0.029 1.00 2.00 C ATOM 635 C VAL A 41 7.403 1.423 0.484 1.00 2.00 C ATOM 636 O VAL A 41 6.740 1.651 1.502 1.00 2.00 O ATOM 637 CB VAL A 41 9.931 2.155 0.488 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.439 0.772 0.013 1.00 2.00 C ATOM 639 CG2 VAL A 41 10.978 3.186 0.002 1.00 2.00 C ATOM 0 H VAL A 41 7.808 3.678 1.633 1.00 2.00 H new ATOM 0 HA VAL A 41 8.515 2.531 -1.059 1.00 2.00 H new ATOM 0 HB VAL A 41 9.844 2.169 1.574 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.456 0.615 0.371 1.00 2.00 H new ATOM 0 HG12 VAL A 41 9.791 -0.009 0.409 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.428 0.735 -1.076 1.00 2.00 H new ATOM 0 HG21 VAL A 41 11.967 2.893 0.353 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.975 3.221 -1.087 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.730 4.171 0.398 1.00 2.00 H new ATOM 649 N CYS A 42 7.107 0.301 -0.247 1.00 2.00 N ATOM 650 CA CYS A 42 6.089 -0.745 0.197 1.00 2.00 C ATOM 651 C CYS A 42 6.580 -1.109 1.684 1.00 2.00 C ATOM 652 O CYS A 42 7.722 -1.563 1.802 1.00 2.00 O ATOM 653 CB CYS A 42 6.096 -1.895 -0.845 1.00 2.00 C ATOM 654 SG CYS A 42 4.527 -2.178 -1.727 1.00 2.00 S ATOM 0 H CYS A 42 7.548 0.087 -1.141 1.00 2.00 H new ATOM 0 HA CYS A 42 5.042 -0.443 0.237 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.872 -1.687 -1.581 1.00 2.00 H new ATOM 0 HB3 CYS A 42 6.377 -2.818 -0.337 1.00 2.00 H new ATOM 659 N PRO A 43 5.841 -0.751 2.790 1.00 2.00 N ATOM 660 CA PRO A 43 6.214 -1.005 4.200 1.00 2.00 C ATOM 661 C PRO A 43 7.376 -1.955 4.612 1.00 2.00 C ATOM 662 O PRO A 43 8.561 -1.644 4.498 1.00 2.00 O ATOM 663 CB PRO A 43 4.858 -1.047 4.942 1.00 2.00 C ATOM 664 CG PRO A 43 3.917 -0.172 4.125 1.00 2.00 C ATOM 665 CD PRO A 43 4.480 -0.216 2.700 1.00 2.00 C ATOM 0 HA PRO A 43 6.868 -0.208 4.555 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.482 -2.067 5.013 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.957 -0.672 5.961 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.895 -0.551 4.159 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.892 0.848 4.509 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.861 -0.845 2.061 1.00 2.00 H new ATOM 0 HD3 PRO A 43 4.486 0.780 2.258 1.00 2.00 H new ATOM 673 N LYS A 44 6.980 -3.072 5.171 1.00 2.00 N ATOM 674 CA LYS A 44 7.845 -4.157 5.654 1.00 2.00 C ATOM 675 C LYS A 44 6.758 -5.270 5.651 1.00 2.00 C ATOM 676 O LYS A 44 5.923 -5.371 6.562 1.00 2.00 O ATOM 677 CB LYS A 44 8.516 -3.945 7.037 1.00 2.00 C ATOM 678 CG LYS A 44 9.768 -3.034 7.031 1.00 2.00 C ATOM 679 CD LYS A 44 10.801 -3.314 8.147 1.00 2.00 C ATOM 680 CE LYS A 44 10.418 -2.912 9.583 1.00 2.00 C ATOM 681 NZ LYS A 44 9.556 -3.927 10.224 1.00 2.00 N ATOM 0 H LYS A 44 5.991 -3.274 5.316 1.00 2.00 H new ATOM 0 HA LYS A 44 8.746 -4.325 5.063 1.00 2.00 H new ATOM 0 HB2 LYS A 44 7.780 -3.519 7.718 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.797 -4.918 7.439 1.00 2.00 H new ATOM 0 HG2 LYS A 44 10.265 -3.136 6.066 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.442 -1.997 7.114 1.00 2.00 H new ATOM 0 HD2 LYS A 44 11.020 -4.382 8.143 1.00 2.00 H new ATOM 0 HD3 LYS A 44 11.725 -2.798 7.888 1.00 2.00 H new ATOM 0 HE2 LYS A 44 11.322 -2.776 10.176 1.00 2.00 H new ATOM 0 HE3 LYS A 44 9.900 -1.953 9.566 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 9.402 -3.673 11.221 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 8.641 -3.966 9.732 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 10.017 -4.858 10.172 1.00 2.00 H new ATOM 694 N ASN A 45 6.700 -6.043 4.562 1.00 2.00 N ATOM 695 CA ASN A 45 5.718 -7.134 4.404 1.00 2.00 C ATOM 696 C ASN A 45 5.813 -8.317 5.439 1.00 2.00 C ATOM 697 O ASN A 45 6.612 -9.246 5.296 1.00 2.00 O ATOM 698 CB ASN A 45 5.760 -7.516 2.897 1.00 2.00 C ATOM 699 CG ASN A 45 6.918 -8.364 2.372 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.995 -7.865 2.078 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.729 -9.648 2.208 1.00 2.00 N ATOM 0 H ASN A 45 7.327 -5.935 3.765 1.00 2.00 H new ATOM 0 HA ASN A 45 4.719 -6.792 4.676 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.836 -8.046 2.668 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.747 -6.589 2.324 1.00 2.00 H new ATOM 0 HD21 ASN A 45 7.479 -10.230 1.836 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.832 -10.067 2.452 1.00 2.00 H new ATOM 708 N SER A 46 4.977 -8.270 6.490 1.00 2.00 N ATOM 709 CA SER A 46 4.950 -9.317 7.551 1.00 2.00 C ATOM 710 C SER A 46 4.165 -10.615 7.158 1.00 2.00 C ATOM 711 O SER A 46 3.651 -10.724 6.040 1.00 2.00 O ATOM 712 CB SER A 46 4.472 -8.593 8.837 1.00 2.00 C ATOM 713 OG SER A 46 4.632 -9.430 9.984 1.00 2.00 O ATOM 0 H SER A 46 4.304 -7.518 6.637 1.00 2.00 H new ATOM 0 HA SER A 46 5.939 -9.743 7.718 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.039 -7.672 8.972 1.00 2.00 H new ATOM 0 HB3 SER A 46 3.425 -8.310 8.732 1.00 2.00 H new ATOM 0 HG SER A 46 4.326 -8.952 10.783 1.00 2.00 H new ATOM 719 N LEU A 47 4.062 -11.625 8.052 1.00 2.00 N ATOM 720 CA LEU A 47 3.319 -12.903 7.747 1.00 2.00 C ATOM 721 C LEU A 47 1.817 -12.790 7.267 1.00 2.00 C ATOM 722 O LEU A 47 1.243 -13.753 6.758 1.00 2.00 O ATOM 723 CB LEU A 47 3.631 -14.002 8.803 1.00 2.00 C ATOM 724 CG LEU A 47 3.452 -13.730 10.320 1.00 2.00 C ATOM 725 CD1 LEU A 47 2.005 -13.410 10.709 1.00 2.00 C ATOM 726 CD2 LEU A 47 3.935 -14.950 11.121 1.00 2.00 C ATOM 0 H LEU A 47 4.474 -11.596 8.985 1.00 2.00 H new ATOM 0 HA LEU A 47 3.740 -13.249 6.803 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.011 -14.864 8.558 1.00 2.00 H new ATOM 0 HB3 LEU A 47 4.668 -14.303 8.653 1.00 2.00 H new ATOM 0 HG LEU A 47 4.049 -12.849 10.555 1.00 2.00 H new ATOM 0 HD11 LEU A 47 1.948 -13.230 11.783 1.00 2.00 H new ATOM 0 HD12 LEU A 47 1.673 -12.521 10.174 1.00 2.00 H new ATOM 0 HD13 LEU A 47 1.363 -14.252 10.448 1.00 2.00 H new ATOM 0 HD21 LEU A 47 3.809 -14.759 12.187 1.00 2.00 H new ATOM 0 HD22 LEU A 47 3.351 -15.826 10.838 1.00 2.00 H new ATOM 0 HD23 LEU A 47 4.988 -15.132 10.907 1.00 2.00 H new ATOM 738 N LEU A 48 1.189 -11.620 7.461 1.00 2.00 N ATOM 739 CA LEU A 48 -0.211 -11.316 7.063 1.00 2.00 C ATOM 740 C LEU A 48 -0.261 -10.399 5.765 1.00 2.00 C ATOM 741 O LEU A 48 -1.365 -10.053 5.335 1.00 2.00 O ATOM 742 CB LEU A 48 -0.943 -10.597 8.238 1.00 2.00 C ATOM 743 CG LEU A 48 -1.277 -11.405 9.516 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.884 -10.471 10.576 1.00 2.00 C ATOM 745 CD2 LEU A 48 -2.241 -12.575 9.258 1.00 2.00 C ATOM 0 H LEU A 48 1.648 -10.829 7.913 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.709 -12.258 6.832 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -0.331 -9.746 8.536 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.878 -10.196 7.848 1.00 2.00 H new ATOM 0 HG LEU A 48 -0.339 -11.834 9.869 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -2.118 -11.043 11.474 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -1.169 -9.686 10.822 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -2.796 -10.021 10.185 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.434 -13.100 10.193 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -3.179 -12.192 8.857 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.794 -13.264 8.541 1.00 2.00 H new ATOM 757 N VAL A 49 0.864 -10.029 5.093 1.00 2.00 N ATOM 758 CA VAL A 49 0.859 -9.162 3.876 1.00 2.00 C ATOM 759 C VAL A 49 2.096 -9.233 2.897 1.00 2.00 C ATOM 760 O VAL A 49 3.228 -9.552 3.258 1.00 2.00 O ATOM 761 CB VAL A 49 0.626 -7.668 4.378 1.00 2.00 C ATOM 762 CG1 VAL A 49 1.631 -7.139 5.434 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.589 -6.608 3.258 1.00 2.00 C ATOM 0 H VAL A 49 1.799 -10.322 5.377 1.00 2.00 H new ATOM 0 HA VAL A 49 0.062 -9.551 3.242 1.00 2.00 H new ATOM 0 HB VAL A 49 -0.356 -7.783 4.837 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.374 -6.114 5.700 1.00 2.00 H new ATOM 0 HG12 VAL A 49 1.587 -7.766 6.324 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.640 -7.165 5.021 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.426 -5.623 3.695 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.537 -6.614 2.720 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.222 -6.837 2.567 1.00 2.00 H new ATOM 773 N LYS A 50 1.817 -8.851 1.637 1.00 2.00 N ATOM 774 CA LYS A 50 2.762 -8.786 0.487 1.00 2.00 C ATOM 775 C LYS A 50 2.240 -7.539 -0.338 1.00 2.00 C ATOM 776 O LYS A 50 1.652 -7.657 -1.414 1.00 2.00 O ATOM 777 CB LYS A 50 2.846 -10.135 -0.270 1.00 2.00 C ATOM 778 CG LYS A 50 4.162 -10.404 -1.047 1.00 2.00 C ATOM 779 CD LYS A 50 4.490 -9.494 -2.259 1.00 2.00 C ATOM 780 CE LYS A 50 3.856 -9.869 -3.613 1.00 2.00 C ATOM 781 NZ LYS A 50 2.401 -9.636 -3.629 1.00 2.00 N ATOM 0 H LYS A 50 0.876 -8.562 1.370 1.00 2.00 H new ATOM 0 HA LYS A 50 3.807 -8.640 0.760 1.00 2.00 H new ATOM 0 HB2 LYS A 50 2.702 -10.941 0.449 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.016 -10.185 -0.975 1.00 2.00 H new ATOM 0 HG2 LYS A 50 4.988 -10.330 -0.340 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.137 -11.435 -1.400 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.182 -8.478 -2.012 1.00 2.00 H new ATOM 0 HD3 LYS A 50 5.572 -9.477 -2.386 1.00 2.00 H new ATOM 0 HE2 LYS A 50 4.325 -9.286 -4.406 1.00 2.00 H new ATOM 0 HE3 LYS A 50 4.057 -10.919 -3.828 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 2.130 -9.193 -4.530 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 1.903 -10.543 -3.526 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 2.141 -9.007 -2.842 1.00 2.00 H new ATOM 794 N TYR A 51 2.465 -6.323 0.198 1.00 2.00 N ATOM 795 CA TYR A 51 2.055 -5.014 -0.394 1.00 2.00 C ATOM 796 C TYR A 51 2.282 -4.726 -1.925 1.00 2.00 C ATOM 797 O TYR A 51 3.373 -4.907 -2.471 1.00 2.00 O ATOM 798 CB TYR A 51 2.839 -3.916 0.402 1.00 2.00 C ATOM 799 CG TYR A 51 2.517 -3.702 1.888 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.447 -2.882 2.254 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.308 -4.288 2.884 1.00 2.00 C ATOM 802 CE1 TYR A 51 1.160 -2.669 3.599 1.00 2.00 C ATOM 803 CE2 TYR A 51 2.998 -4.092 4.228 1.00 2.00 C ATOM 804 CZ TYR A 51 1.928 -3.277 4.583 1.00 2.00 C ATOM 805 OH TYR A 51 1.638 -3.049 5.899 1.00 2.00 O ATOM 0 H TYR A 51 2.954 -6.211 1.086 1.00 2.00 H new ATOM 0 HA TYR A 51 0.968 -5.023 -0.313 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.901 -4.149 0.326 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.684 -2.966 -0.109 1.00 2.00 H new ATOM 0 HD1 TYR A 51 0.842 -2.413 1.492 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.160 -4.893 2.610 1.00 2.00 H new ATOM 0 HE1 TYR A 51 0.337 -2.028 3.878 1.00 2.00 H new ATOM 0 HE2 TYR A 51 3.588 -4.573 4.994 1.00 2.00 H new ATOM 0 HH TYR A 51 2.266 -3.547 6.463 1.00 2.00 H new ATOM 815 N VAL A 52 1.237 -4.189 -2.572 1.00 2.00 N ATOM 816 CA VAL A 52 1.232 -3.829 -4.025 1.00 2.00 C ATOM 817 C VAL A 52 1.056 -2.271 -4.004 1.00 2.00 C ATOM 818 O VAL A 52 -0.035 -1.752 -3.765 1.00 2.00 O ATOM 819 CB VAL A 52 0.187 -4.683 -4.815 1.00 2.00 C ATOM 820 CG1 VAL A 52 -0.109 -4.153 -6.236 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.672 -6.146 -4.972 1.00 2.00 C ATOM 0 H VAL A 52 0.352 -3.984 -2.107 1.00 2.00 H new ATOM 0 HA VAL A 52 2.137 -4.070 -4.583 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.724 -4.619 -4.220 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.842 -4.798 -6.720 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.504 -3.139 -6.171 1.00 2.00 H new ATOM 0 HG13 VAL A 52 0.811 -4.147 -6.821 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -0.073 -6.719 -5.525 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.617 -6.160 -5.515 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.813 -6.590 -3.987 1.00 2.00 H new ATOM 831 N CYS A 53 2.136 -1.512 -4.234 1.00 2.00 N ATOM 832 CA CYS A 53 2.094 -0.026 -4.231 1.00 2.00 C ATOM 833 C CYS A 53 2.530 0.723 -5.539 1.00 2.00 C ATOM 834 O CYS A 53 3.340 0.217 -6.318 1.00 2.00 O ATOM 835 CB CYS A 53 3.133 0.305 -3.115 1.00 2.00 C ATOM 836 SG CYS A 53 3.133 -0.722 -1.618 1.00 2.00 S ATOM 0 H CYS A 53 3.060 -1.897 -4.427 1.00 2.00 H new ATOM 0 HA CYS A 53 1.063 0.303 -4.103 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.127 0.250 -3.558 1.00 2.00 H new ATOM 0 HB3 CYS A 53 2.977 1.340 -2.810 1.00 2.00 H new ATOM 841 N CYS A 54 2.010 1.952 -5.761 1.00 2.00 N ATOM 842 CA CYS A 54 2.346 2.776 -6.963 1.00 2.00 C ATOM 843 C CYS A 54 2.470 4.303 -6.587 1.00 2.00 C ATOM 844 O CYS A 54 1.592 4.904 -5.961 1.00 2.00 O ATOM 845 CB CYS A 54 1.534 2.387 -8.213 1.00 2.00 C ATOM 846 SG CYS A 54 -0.242 2.301 -7.966 1.00 2.00 S ATOM 0 H CYS A 54 1.353 2.403 -5.125 1.00 2.00 H new ATOM 0 HA CYS A 54 3.351 2.530 -7.307 1.00 2.00 H new ATOM 0 HB2 CYS A 54 1.742 3.110 -9.002 1.00 2.00 H new ATOM 0 HB3 CYS A 54 1.884 1.418 -8.568 1.00 2.00 H new ATOM 851 N ASN A 55 3.609 4.900 -6.979 1.00 2.00 N ATOM 852 CA ASN A 55 4.018 6.327 -6.762 1.00 2.00 C ATOM 853 C ASN A 55 3.170 7.596 -7.145 1.00 2.00 C ATOM 854 O ASN A 55 3.756 8.622 -7.512 1.00 2.00 O ATOM 855 CB ASN A 55 5.468 6.395 -7.361 1.00 2.00 C ATOM 856 CG ASN A 55 5.625 6.215 -8.877 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.697 5.103 -9.384 1.00 2.00 O ATOM 858 ND2 ASN A 55 5.677 7.271 -9.643 1.00 2.00 N ATOM 0 H ASN A 55 4.323 4.380 -7.489 1.00 2.00 H new ATOM 0 HA ASN A 55 3.863 6.468 -5.692 1.00 2.00 H new ATOM 0 HB2 ASN A 55 5.896 7.361 -7.092 1.00 2.00 H new ATOM 0 HB3 ASN A 55 6.070 5.631 -6.869 1.00 2.00 H new ATOM 0 HD21 ASN A 55 5.777 7.164 -10.653 1.00 2.00 H new ATOM 0 HD22 ASN A 55 5.618 8.203 -9.232 1.00 2.00 H new ATOM 865 N THR A 56 1.834 7.605 -7.031 1.00 2.00 N ATOM 866 CA THR A 56 1.015 8.808 -7.392 1.00 2.00 C ATOM 867 C THR A 56 -0.354 8.910 -6.637 1.00 2.00 C ATOM 868 O THR A 56 -0.778 8.027 -5.884 1.00 2.00 O ATOM 869 CB THR A 56 0.938 8.978 -8.957 1.00 2.00 C ATOM 870 OG1 THR A 56 0.448 10.269 -9.299 1.00 2.00 O ATOM 871 CG2 THR A 56 0.077 7.972 -9.732 1.00 2.00 C ATOM 0 H THR A 56 1.288 6.811 -6.697 1.00 2.00 H new ATOM 0 HA THR A 56 1.540 9.686 -7.015 1.00 2.00 H new ATOM 0 HB THR A 56 1.972 8.804 -9.256 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.409 10.356 -10.274 1.00 2.00 H new ATOM 0 HG21 THR A 56 0.114 8.205 -10.796 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.459 6.964 -9.568 1.00 2.00 H new ATOM 0 HG23 THR A 56 -0.954 8.031 -9.383 1.00 2.00 H new ATOM 879 N ASP A 57 -1.018 10.067 -6.796 1.00 2.00 N ATOM 880 CA ASP A 57 -2.330 10.373 -6.166 1.00 2.00 C ATOM 881 C ASP A 57 -3.489 9.412 -6.584 1.00 2.00 C ATOM 882 O ASP A 57 -3.871 9.346 -7.754 1.00 2.00 O ATOM 883 CB ASP A 57 -2.687 11.849 -6.499 1.00 2.00 C ATOM 884 CG ASP A 57 -1.802 12.918 -5.850 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.422 12.893 -4.681 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.496 13.917 -6.717 1.00 2.00 O ATOM 0 H ASP A 57 -0.661 10.830 -7.371 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.224 10.220 -5.092 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.643 11.977 -7.581 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.719 12.029 -6.198 1.00 2.00 H new ATOM 892 N ARG A 58 -4.051 8.686 -5.604 1.00 2.00 N ATOM 893 CA ARG A 58 -5.171 7.710 -5.815 1.00 2.00 C ATOM 894 C ARG A 58 -4.845 6.461 -6.718 1.00 2.00 C ATOM 895 O ARG A 58 -5.762 5.791 -7.201 1.00 2.00 O ATOM 896 CB ARG A 58 -6.484 8.454 -6.218 1.00 2.00 C ATOM 897 CG ARG A 58 -6.990 9.501 -5.195 1.00 2.00 C ATOM 898 CD ARG A 58 -8.396 10.031 -5.531 1.00 2.00 C ATOM 899 NE ARG A 58 -8.863 10.910 -4.422 1.00 2.00 N ATOM 900 CZ ARG A 58 -8.641 12.212 -4.313 1.00 2.00 C ATOM 901 NH1 ARG A 58 -8.081 12.937 -5.235 1.00 2.00 N ATOM 902 NH2 ARG A 58 -8.997 12.799 -3.224 1.00 2.00 N ATOM 0 H ARG A 58 -3.750 8.749 -4.631 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.330 7.241 -4.844 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.321 8.953 -7.174 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.269 7.714 -6.374 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.003 9.054 -4.201 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.290 10.336 -5.160 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.374 10.587 -6.468 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -9.088 9.200 -5.669 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.404 10.469 -3.678 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -7.782 12.507 -6.110 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -7.941 13.936 -5.083 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -9.436 12.263 -2.476 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -8.840 13.800 -3.109 1.00 2.00 H new ATOM 916 N CYS A 59 -3.557 6.100 -6.898 1.00 2.00 N ATOM 917 CA CYS A 59 -3.140 4.938 -7.728 1.00 2.00 C ATOM 918 C CYS A 59 -3.625 3.517 -7.251 1.00 2.00 C ATOM 919 O CYS A 59 -3.828 2.614 -8.067 1.00 2.00 O ATOM 920 CB CYS A 59 -1.617 5.044 -7.878 1.00 2.00 C ATOM 921 SG CYS A 59 -1.090 3.763 -9.021 1.00 2.00 S ATOM 0 H CYS A 59 -2.775 6.601 -6.476 1.00 2.00 H new ATOM 0 HA CYS A 59 -3.650 5.003 -8.689 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -1.337 6.029 -8.252 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.128 4.919 -6.912 1.00 2.00 H new ATOM 926 N ASN A 60 -3.837 3.313 -5.943 1.00 2.00 N ATOM 927 CA ASN A 60 -4.297 2.030 -5.350 1.00 2.00 C ATOM 928 C ASN A 60 -5.790 1.643 -5.652 1.00 2.00 C ATOM 929 O ASN A 60 -6.605 1.304 -4.794 1.00 2.00 O ATOM 930 CB ASN A 60 -3.959 2.074 -3.829 1.00 2.00 C ATOM 931 CG ASN A 60 -4.513 3.218 -2.960 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.175 4.147 -3.402 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.218 3.226 -1.691 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.083 1.665 -6.989 1.00 0.00 O ATOM 0 H ASN A 60 -3.693 4.044 -5.246 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.762 1.215 -5.836 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.302 1.136 -3.391 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -2.873 2.091 -3.736 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.538 3.992 -1.098 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.668 2.466 -1.291 1.00 2.00 H new