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 (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 NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 212 GLN : amide:sc= 0.24 K(o=0.51,f=-0.53) USER MOD Set 1.2: A 215 LYS NZ :NH3+ 175:sc= 0.27 (180deg=-0.0318) USER MOD Single : A 168 SER OG : rot 28:sc= 0.111 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc=-0.00186 X(o=-0.0019,f=-0.11) USER MOD Single : A 180 MET CE :methyl -175:sc= 0 (180deg=-0.0353) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= -0.037 X(o=-0.037,f=0.15) USER MOD Single : A 199 MET CE :methyl -156:sc= -0.056 (180deg=-0.395) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 202 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 204 TYR OH : rot -13:sc= 0.724 USER MOD Single : A 207 LYS NZ :NH3+ 149:sc= -0.0486 (180deg=-1.22!) USER MOD Single : A 208 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00426) USER MOD Single : A 211 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0222) USER MOD Single : A 214 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 -13.027 9.532 -3.624 1.00 0.00 N ATOM 2 CA SER A 168 -13.317 8.250 -2.964 1.00 0.00 C ATOM 3 C SER A 168 -14.095 7.256 -3.847 1.00 0.00 C ATOM 4 O SER A 168 -14.377 6.133 -3.420 1.00 0.00 O ATOM 5 CB SER A 168 -14.079 8.493 -1.652 1.00 0.00 C ATOM 6 OG SER A 168 -13.347 9.363 -0.796 1.00 0.00 O ATOM 0 HA SER A 168 -12.351 7.788 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 168 -15.056 8.926 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 168 -14.256 7.543 -1.148 1.00 0.00 H new ATOM 0 HG SER A 168 -12.781 9.954 -1.336 1.00 0.00 H new ATOM 12 N THR A 169 -14.450 7.660 -5.071 1.00 0.00 N ATOM 13 CA THR A 169 -15.230 6.872 -6.055 1.00 0.00 C ATOM 14 C THR A 169 -14.569 6.767 -7.440 1.00 0.00 C ATOM 15 O THR A 169 -15.082 6.064 -8.318 1.00 0.00 O ATOM 16 CB THR A 169 -16.649 7.452 -6.213 1.00 0.00 C ATOM 17 OG1 THR A 169 -16.579 8.812 -6.598 1.00 0.00 O ATOM 18 CG2 THR A 169 -17.461 7.375 -4.917 1.00 0.00 C ATOM 0 H THR A 169 -14.196 8.582 -5.426 1.00 0.00 H new ATOM 0 HA THR A 169 -15.272 5.862 -5.647 1.00 0.00 H new ATOM 0 HB THR A 169 -17.144 6.850 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 169 -17.485 9.171 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 169 -18.452 7.797 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 169 -17.557 6.334 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 169 -16.953 7.940 -4.135 1.00 0.00 H new ATOM 26 N LYS A 170 -13.424 7.434 -7.651 1.00 0.00 N ATOM 27 CA LYS A 170 -12.645 7.414 -8.906 1.00 0.00 C ATOM 28 C LYS A 170 -11.931 6.069 -9.136 1.00 0.00 C ATOM 29 O LYS A 170 -11.805 5.249 -8.223 1.00 0.00 O ATOM 30 CB LYS A 170 -11.633 8.579 -8.901 1.00 0.00 C ATOM 31 CG LYS A 170 -12.323 9.954 -8.904 1.00 0.00 C ATOM 32 CD LYS A 170 -11.293 11.086 -8.994 1.00 0.00 C ATOM 33 CE LYS A 170 -12.001 12.444 -9.014 1.00 0.00 C ATOM 34 NZ LYS A 170 -11.027 13.551 -9.123 1.00 0.00 N ATOM 0 H LYS A 170 -12.999 8.021 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 170 -13.342 7.538 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.994 8.498 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -10.986 8.498 -9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -13.012 10.017 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -12.916 10.069 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.611 11.036 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.690 10.968 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.696 12.483 -9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.591 12.563 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -11.534 14.459 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -10.380 13.526 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -10.481 13.448 -10.002 1.00 0.00 H new ATOM 48 N VAL A 171 -11.440 5.865 -10.363 1.00 0.00 N ATOM 49 CA VAL A 171 -10.724 4.647 -10.818 1.00 0.00 C ATOM 50 C VAL A 171 -9.330 4.939 -11.409 1.00 0.00 C ATOM 51 O VAL A 171 -8.689 4.059 -11.984 1.00 0.00 O ATOM 52 CB VAL A 171 -11.594 3.828 -11.800 1.00 0.00 C ATOM 53 CG1 VAL A 171 -12.889 3.344 -11.135 1.00 0.00 C ATOM 54 CG2 VAL A 171 -11.961 4.609 -13.071 1.00 0.00 C ATOM 0 H VAL A 171 -11.529 6.564 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 171 -10.548 4.045 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 171 -10.979 2.974 -12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -13.476 2.772 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -12.645 2.712 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -13.468 4.204 -10.797 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -12.572 3.981 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -12.521 5.504 -12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -11.051 4.897 -13.597 1.00 0.00 H new ATOM 64 N GLU A 172 -8.842 6.176 -11.271 1.00 0.00 N ATOM 65 CA GLU A 172 -7.532 6.641 -11.755 1.00 0.00 C ATOM 66 C GLU A 172 -6.379 6.140 -10.855 1.00 0.00 C ATOM 67 O GLU A 172 -5.885 6.861 -9.982 1.00 0.00 O ATOM 68 CB GLU A 172 -7.534 8.177 -11.882 1.00 0.00 C ATOM 69 CG GLU A 172 -8.526 8.678 -12.942 1.00 0.00 C ATOM 70 CD GLU A 172 -8.457 10.204 -13.082 1.00 0.00 C ATOM 71 OE1 GLU A 172 -9.183 10.897 -12.328 1.00 0.00 O ATOM 72 OE2 GLU A 172 -7.678 10.685 -13.941 1.00 0.00 O ATOM 0 H GLU A 172 -9.368 6.913 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 172 -7.358 6.216 -12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -7.785 8.618 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -6.531 8.519 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -8.305 8.211 -13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -9.538 8.380 -12.668 1.00 0.00 H new ATOM 79 N ALA A 173 -5.968 4.883 -11.049 1.00 0.00 N ATOM 80 CA ALA A 173 -4.913 4.204 -10.288 1.00 0.00 C ATOM 81 C ALA A 173 -4.035 3.290 -11.175 1.00 0.00 C ATOM 82 O ALA A 173 -4.336 3.056 -12.351 1.00 0.00 O ATOM 83 CB ALA A 173 -5.586 3.414 -9.155 1.00 0.00 C ATOM 0 H ALA A 173 -6.377 4.287 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.230 4.948 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -4.825 2.897 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -6.136 4.100 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.275 2.684 -9.580 1.00 0.00 H new ATOM 89 N LEU A 174 -2.940 2.771 -10.603 1.00 0.00 N ATOM 90 CA LEU A 174 -1.991 1.870 -11.276 1.00 0.00 C ATOM 91 C LEU A 174 -2.644 0.530 -11.683 1.00 0.00 C ATOM 92 O LEU A 174 -3.642 0.094 -11.101 1.00 0.00 O ATOM 93 CB LEU A 174 -0.759 1.637 -10.371 1.00 0.00 C ATOM 94 CG LEU A 174 0.331 2.726 -10.461 1.00 0.00 C ATOM 95 CD1 LEU A 174 -0.126 4.103 -9.974 1.00 0.00 C ATOM 96 CD2 LEU A 174 1.539 2.309 -9.620 1.00 0.00 C ATOM 0 H LEU A 174 -2.682 2.970 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.670 2.351 -12.200 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.095 1.565 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.314 0.676 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 174 0.577 2.816 -11.519 1.00 0.00 H new ATOM 0 HD11 LEU A 174 0.695 4.813 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -0.969 4.441 -10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -0.430 4.037 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.309 3.078 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 174 1.234 2.186 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.936 1.366 -9.996 1.00 0.00 H new ATOM 108 N HIS A 175 -2.055 -0.128 -12.690 1.00 0.00 N ATOM 109 CA HIS A 175 -2.523 -1.397 -13.281 1.00 0.00 C ATOM 110 C HIS A 175 -1.364 -2.357 -13.617 1.00 0.00 C ATOM 111 O HIS A 175 -1.306 -2.940 -14.700 1.00 0.00 O ATOM 112 CB HIS A 175 -3.445 -1.076 -14.478 1.00 0.00 C ATOM 113 CG HIS A 175 -2.832 -0.174 -15.525 1.00 0.00 C ATOM 114 ND1 HIS A 175 -2.910 1.207 -15.550 1.00 0.00 N ATOM 115 CD2 HIS A 175 -2.112 -0.568 -16.620 1.00 0.00 C ATOM 116 CE1 HIS A 175 -2.246 1.645 -16.636 1.00 0.00 C ATOM 117 NE2 HIS A 175 -1.752 0.580 -17.299 1.00 0.00 N ATOM 0 H HIS A 175 -1.206 0.219 -13.136 1.00 0.00 H new ATOM 0 HA HIS A 175 -3.108 -1.949 -12.546 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -3.740 -2.012 -14.952 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -4.355 -0.608 -14.103 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -1.871 -1.583 -16.900 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -2.128 2.678 -16.928 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -1.204 0.616 -18.158 1.00 0.00 H new ATOM 126 N GLN A 176 -0.418 -2.509 -12.682 1.00 0.00 N ATOM 127 CA GLN A 176 0.770 -3.375 -12.817 1.00 0.00 C ATOM 128 C GLN A 176 0.444 -4.878 -12.983 1.00 0.00 C ATOM 129 O GLN A 176 1.262 -5.632 -13.517 1.00 0.00 O ATOM 130 CB GLN A 176 1.692 -3.177 -11.599 1.00 0.00 C ATOM 131 CG GLN A 176 2.288 -1.762 -11.520 1.00 0.00 C ATOM 132 CD GLN A 176 3.234 -1.617 -10.327 1.00 0.00 C ATOM 133 OE1 GLN A 176 2.827 -1.603 -9.172 1.00 0.00 O ATOM 134 NE2 GLN A 176 4.528 -1.505 -10.547 1.00 0.00 N ATOM 0 H GLN A 176 -0.454 -2.023 -11.786 1.00 0.00 H new ATOM 0 HA GLN A 176 1.266 -3.070 -13.739 1.00 0.00 H new ATOM 0 HB2 GLN A 176 1.129 -3.380 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 176 2.502 -3.905 -11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 176 2.827 -1.541 -12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 176 1.483 -1.031 -11.438 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.886 -1.515 -11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 176 5.172 -1.409 -9.762 1.00 0.00 H new ATOM 143 N ASN A 177 -0.737 -5.321 -12.534 1.00 0.00 N ATOM 144 CA ASN A 177 -1.218 -6.706 -12.644 1.00 0.00 C ATOM 145 C ASN A 177 -1.484 -7.122 -14.112 1.00 0.00 C ATOM 146 O ASN A 177 -1.584 -6.277 -15.008 1.00 0.00 O ATOM 147 CB ASN A 177 -2.499 -6.848 -11.796 1.00 0.00 C ATOM 148 CG ASN A 177 -2.280 -6.534 -10.324 1.00 0.00 C ATOM 149 OD1 ASN A 177 -2.336 -5.389 -9.895 1.00 0.00 O ATOM 150 ND2 ASN A 177 -2.018 -7.527 -9.503 1.00 0.00 N ATOM 0 H ASN A 177 -1.406 -4.707 -12.069 1.00 0.00 H new ATOM 0 HA ASN A 177 -0.442 -7.375 -12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -3.266 -6.182 -12.193 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -2.879 -7.865 -11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -1.862 -7.342 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -1.971 -8.482 -9.857 1.00 0.00 H new ATOM 157 N ARG A 178 -1.640 -8.433 -14.359 1.00 0.00 N ATOM 158 CA ARG A 178 -1.954 -9.000 -15.688 1.00 0.00 C ATOM 159 C ARG A 178 -3.258 -8.410 -16.245 1.00 0.00 C ATOM 160 O ARG A 178 -4.266 -8.345 -15.538 1.00 0.00 O ATOM 161 CB ARG A 178 -2.054 -10.535 -15.603 1.00 0.00 C ATOM 162 CG ARG A 178 -0.702 -11.206 -15.302 1.00 0.00 C ATOM 163 CD ARG A 178 -0.836 -12.725 -15.115 1.00 0.00 C ATOM 164 NE ARG A 178 -1.305 -13.411 -16.336 1.00 0.00 N ATOM 165 CZ ARG A 178 -0.560 -13.845 -17.340 1.00 0.00 C ATOM 166 NH1 ARG A 178 0.739 -13.695 -17.378 1.00 0.00 N ATOM 167 NH2 ARG A 178 -1.116 -14.453 -18.353 1.00 0.00 N ATOM 0 H ARG A 178 -1.551 -9.143 -13.632 1.00 0.00 H new ATOM 0 HA ARG A 178 -1.145 -8.736 -16.370 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -2.769 -10.805 -14.826 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -2.445 -10.922 -16.544 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -0.008 -11.002 -16.117 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -0.273 -10.767 -14.401 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.129 -13.137 -14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -1.531 -12.927 -14.300 1.00 0.00 H new ATOM 0 HE ARG A 178 -2.310 -13.567 -16.414 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.221 -13.226 -16.611 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.270 -14.047 -18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -2.126 -14.594 -18.371 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.540 -14.787 -19.126 1.00 0.00 H new ATOM 181 N GLU A 179 -3.245 -7.986 -17.509 1.00 0.00 N ATOM 182 CA GLU A 179 -4.396 -7.378 -18.192 1.00 0.00 C ATOM 183 C GLU A 179 -4.357 -7.626 -19.713 1.00 0.00 C ATOM 184 O GLU A 179 -3.286 -7.686 -20.325 1.00 0.00 O ATOM 185 CB GLU A 179 -4.406 -5.864 -17.876 1.00 0.00 C ATOM 186 CG GLU A 179 -5.605 -5.071 -18.422 1.00 0.00 C ATOM 187 CD GLU A 179 -6.945 -5.566 -17.860 1.00 0.00 C ATOM 188 OE1 GLU A 179 -7.480 -6.551 -18.424 1.00 0.00 O ATOM 189 OE2 GLU A 179 -7.431 -4.973 -16.867 1.00 0.00 O ATOM 0 H GLU A 179 -2.418 -8.055 -18.102 1.00 0.00 H new ATOM 0 HA GLU A 179 -5.313 -7.841 -17.828 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -4.375 -5.738 -16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -3.492 -5.423 -18.275 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -5.480 -4.016 -18.177 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -5.621 -5.146 -19.509 1.00 0.00 H new ATOM 196 N MET A 180 -5.536 -7.749 -20.328 1.00 0.00 N ATOM 197 CA MET A 180 -5.726 -7.960 -21.768 1.00 0.00 C ATOM 198 C MET A 180 -5.601 -6.634 -22.544 1.00 0.00 C ATOM 199 O MET A 180 -6.597 -5.943 -22.776 1.00 0.00 O ATOM 200 CB MET A 180 -7.089 -8.637 -22.014 1.00 0.00 C ATOM 201 CG MET A 180 -7.164 -10.066 -21.455 1.00 0.00 C ATOM 202 SD MET A 180 -5.984 -11.265 -22.149 1.00 0.00 S ATOM 203 CE MET A 180 -6.585 -11.391 -23.858 1.00 0.00 C ATOM 0 H MET A 180 -6.419 -7.703 -19.819 1.00 0.00 H new ATOM 0 HA MET A 180 -4.941 -8.619 -22.139 1.00 0.00 H new ATOM 0 HB2 MET A 180 -7.875 -8.034 -21.559 1.00 0.00 H new ATOM 0 HB3 MET A 180 -7.287 -8.662 -23.086 1.00 0.00 H new ATOM 0 HG2 MET A 180 -7.011 -10.020 -20.377 1.00 0.00 H new ATOM 0 HG3 MET A 180 -8.173 -10.445 -21.618 1.00 0.00 H new ATOM 0 HE1 MET A 180 -6.018 -12.157 -24.388 1.00 0.00 H new ATOM 0 HE2 MET A 180 -7.641 -11.660 -23.853 1.00 0.00 H new ATOM 0 HE3 MET A 180 -6.457 -10.432 -24.360 1.00 0.00 H new ATOM 213 N ILE A 181 -4.372 -6.265 -22.927 1.00 0.00 N ATOM 214 CA ILE A 181 -4.066 -5.045 -23.698 1.00 0.00 C ATOM 215 C ILE A 181 -4.873 -4.998 -25.012 1.00 0.00 C ATOM 216 O ILE A 181 -5.062 -6.016 -25.675 1.00 0.00 O ATOM 217 CB ILE A 181 -2.539 -4.907 -23.908 1.00 0.00 C ATOM 218 CG1 ILE A 181 -2.189 -3.489 -24.411 1.00 0.00 C ATOM 219 CG2 ILE A 181 -1.964 -6.004 -24.826 1.00 0.00 C ATOM 220 CD1 ILE A 181 -0.685 -3.188 -24.436 1.00 0.00 C ATOM 0 H ILE A 181 -3.542 -6.816 -22.707 1.00 0.00 H new ATOM 0 HA ILE A 181 -4.382 -4.173 -23.125 1.00 0.00 H new ATOM 0 HB ILE A 181 -2.061 -5.052 -22.939 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -2.591 -3.362 -25.416 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -2.685 -2.756 -23.774 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -0.890 -5.858 -24.938 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.153 -6.983 -24.386 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.442 -5.947 -25.804 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -0.523 -2.174 -24.801 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -0.279 -3.281 -23.429 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -0.183 -3.896 -25.096 1.00 0.00 H new ATOM 232 N ASP A 182 -5.376 -3.817 -25.373 1.00 0.00 N ATOM 233 CA ASP A 182 -6.289 -3.590 -26.506 1.00 0.00 C ATOM 234 C ASP A 182 -5.773 -2.595 -27.573 1.00 0.00 C ATOM 235 O ASP A 182 -6.330 -1.502 -27.729 1.00 0.00 O ATOM 236 CB ASP A 182 -7.683 -3.234 -25.942 1.00 0.00 C ATOM 237 CG ASP A 182 -7.778 -1.872 -25.228 1.00 0.00 C ATOM 238 OD1 ASP A 182 -6.869 -1.545 -24.425 1.00 0.00 O ATOM 239 OD2 ASP A 182 -8.790 -1.165 -25.450 1.00 0.00 O ATOM 0 H ASP A 182 -5.154 -2.958 -24.870 1.00 0.00 H new ATOM 0 HA ASP A 182 -6.355 -4.515 -27.078 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -8.402 -3.247 -26.761 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -7.983 -4.014 -25.242 1.00 0.00 H new ATOM 244 N PRO A 183 -4.717 -2.951 -28.333 1.00 0.00 N ATOM 245 CA PRO A 183 -4.200 -2.116 -29.416 1.00 0.00 C ATOM 246 C PRO A 183 -5.142 -2.146 -30.635 1.00 0.00 C ATOM 247 O PRO A 183 -5.924 -3.084 -30.821 1.00 0.00 O ATOM 248 CB PRO A 183 -2.834 -2.720 -29.759 1.00 0.00 C ATOM 249 CG PRO A 183 -3.029 -4.208 -29.468 1.00 0.00 C ATOM 250 CD PRO A 183 -3.971 -4.203 -28.264 1.00 0.00 C ATOM 0 HA PRO A 183 -4.122 -1.069 -29.124 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -2.566 -2.545 -30.801 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -2.039 -2.291 -29.149 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -3.465 -4.732 -30.319 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -2.084 -4.702 -29.239 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.645 -5.059 -28.294 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.411 -4.271 -27.332 1.00 0.00 H new ATOM 258 N ASP A 184 -5.040 -1.141 -31.507 1.00 0.00 N ATOM 259 CA ASP A 184 -5.811 -1.096 -32.758 1.00 0.00 C ATOM 260 C ASP A 184 -5.148 -2.023 -33.798 1.00 0.00 C ATOM 261 O ASP A 184 -3.916 -2.067 -33.894 1.00 0.00 O ATOM 262 CB ASP A 184 -5.897 0.344 -33.291 1.00 0.00 C ATOM 263 CG ASP A 184 -6.646 1.328 -32.375 1.00 0.00 C ATOM 264 OD1 ASP A 184 -7.295 0.894 -31.393 1.00 0.00 O ATOM 265 OD2 ASP A 184 -6.555 2.548 -32.660 1.00 0.00 O ATOM 0 H ASP A 184 -4.425 -0.338 -31.370 1.00 0.00 H new ATOM 0 HA ASP A 184 -6.827 -1.441 -32.566 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -4.886 0.718 -33.452 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -6.390 0.328 -34.263 1.00 0.00 H new ATOM 270 N LYS A 185 -5.945 -2.764 -34.580 1.00 0.00 N ATOM 271 CA LYS A 185 -5.478 -3.735 -35.583 1.00 0.00 C ATOM 272 C LYS A 185 -6.298 -3.645 -36.874 1.00 0.00 C ATOM 273 O LYS A 185 -7.393 -3.082 -36.880 1.00 0.00 O ATOM 274 CB LYS A 185 -5.557 -5.147 -34.968 1.00 0.00 C ATOM 275 CG LYS A 185 -4.550 -5.447 -33.843 1.00 0.00 C ATOM 276 CD LYS A 185 -3.092 -5.463 -34.326 1.00 0.00 C ATOM 277 CE LYS A 185 -2.161 -5.826 -33.166 1.00 0.00 C ATOM 278 NZ LYS A 185 -0.751 -5.858 -33.605 1.00 0.00 N ATOM 0 H LYS A 185 -6.962 -2.704 -34.532 1.00 0.00 H new ATOM 0 HA LYS A 185 -4.447 -3.510 -35.854 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -6.564 -5.297 -34.578 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -5.412 -5.878 -35.764 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -4.658 -4.698 -33.058 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -4.789 -6.413 -33.398 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.976 -6.184 -35.136 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -2.822 -4.486 -34.728 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -2.278 -5.100 -32.361 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -2.441 -6.799 -32.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.142 -6.106 -32.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -0.637 -6.568 -34.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.479 -4.922 -33.969 1.00 0.00 H new ATOM 292 N PHE A 186 -5.774 -4.203 -37.965 1.00 0.00 N ATOM 293 CA PHE A 186 -6.397 -4.174 -39.295 1.00 0.00 C ATOM 294 C PHE A 186 -6.097 -5.445 -40.114 1.00 0.00 C ATOM 295 O PHE A 186 -5.062 -6.089 -39.923 1.00 0.00 O ATOM 296 CB PHE A 186 -5.886 -2.914 -40.025 1.00 0.00 C ATOM 297 CG PHE A 186 -6.331 -2.761 -41.470 1.00 0.00 C ATOM 298 CD1 PHE A 186 -7.659 -2.400 -41.767 1.00 0.00 C ATOM 299 CD2 PHE A 186 -5.427 -3.002 -42.523 1.00 0.00 C ATOM 300 CE1 PHE A 186 -8.096 -2.329 -43.102 1.00 0.00 C ATOM 301 CE2 PHE A 186 -5.852 -2.889 -43.860 1.00 0.00 C ATOM 302 CZ PHE A 186 -7.189 -2.565 -44.150 1.00 0.00 C ATOM 0 H PHE A 186 -4.884 -4.700 -37.952 1.00 0.00 H new ATOM 0 HA PHE A 186 -7.481 -4.142 -39.182 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -6.215 -2.036 -39.468 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -4.796 -2.919 -39.999 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -8.346 -2.176 -40.965 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -4.405 -3.274 -42.304 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -9.127 -2.094 -43.322 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -5.150 -3.051 -44.664 1.00 0.00 H new ATOM 0 HZ PHE A 186 -7.519 -2.498 -45.176 1.00 0.00 H new ATOM 312 N CYS A 187 -6.994 -5.776 -41.044 1.00 0.00 N ATOM 313 CA CYS A 187 -6.913 -6.892 -41.983 1.00 0.00 C ATOM 314 C CYS A 187 -7.030 -6.351 -43.419 1.00 0.00 C ATOM 315 O CYS A 187 -8.066 -5.808 -43.819 1.00 0.00 O ATOM 316 CB CYS A 187 -8.023 -7.908 -41.672 1.00 0.00 C ATOM 317 SG CYS A 187 -7.924 -9.301 -42.840 1.00 0.00 S ATOM 0 H CYS A 187 -7.851 -5.236 -41.168 1.00 0.00 H new ATOM 0 HA CYS A 187 -5.955 -7.402 -41.884 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.921 -8.271 -40.649 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -8.999 -7.428 -41.745 1.00 0.00 H new ATOM 322 N SER A 188 -5.948 -6.481 -44.193 1.00 0.00 N ATOM 323 CA SER A 188 -5.887 -6.031 -45.590 1.00 0.00 C ATOM 324 C SER A 188 -6.667 -6.953 -46.544 1.00 0.00 C ATOM 325 O SER A 188 -7.189 -6.497 -47.565 1.00 0.00 O ATOM 326 CB SER A 188 -4.418 -5.939 -46.022 1.00 0.00 C ATOM 327 OG SER A 188 -4.289 -5.253 -47.256 1.00 0.00 O ATOM 0 H SER A 188 -5.080 -6.906 -43.865 1.00 0.00 H new ATOM 0 HA SER A 188 -6.361 -5.051 -45.647 1.00 0.00 H new ATOM 0 HB2 SER A 188 -3.842 -5.423 -45.254 1.00 0.00 H new ATOM 0 HB3 SER A 188 -4.000 -6.941 -46.115 1.00 0.00 H new ATOM 0 HG SER A 188 -3.343 -5.207 -47.507 1.00 0.00 H new ATOM 333 N LEU A 189 -6.789 -8.243 -46.204 1.00 0.00 N ATOM 334 CA LEU A 189 -7.511 -9.242 -46.998 1.00 0.00 C ATOM 335 C LEU A 189 -9.033 -8.995 -46.968 1.00 0.00 C ATOM 336 O LEU A 189 -9.690 -9.098 -48.009 1.00 0.00 O ATOM 337 CB LEU A 189 -7.194 -10.664 -46.487 1.00 0.00 C ATOM 338 CG LEU A 189 -5.785 -11.242 -46.732 1.00 0.00 C ATOM 339 CD1 LEU A 189 -5.443 -11.335 -48.221 1.00 0.00 C ATOM 340 CD2 LEU A 189 -4.651 -10.493 -46.028 1.00 0.00 C ATOM 0 H LEU A 189 -6.380 -8.627 -45.352 1.00 0.00 H new ATOM 0 HA LEU A 189 -7.176 -9.150 -48.031 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.374 -10.677 -45.412 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.914 -11.346 -46.939 1.00 0.00 H new ATOM 0 HG LEU A 189 -5.848 -12.238 -46.293 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -4.441 -11.748 -48.339 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -6.164 -11.983 -48.720 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.480 -10.341 -48.666 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.700 -10.972 -46.259 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -4.629 -9.459 -46.372 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -4.815 -10.514 -44.951 1.00 0.00 H new ATOM 352 N CYS A 190 -9.581 -8.664 -45.795 1.00 0.00 N ATOM 353 CA CYS A 190 -11.009 -8.435 -45.558 1.00 0.00 C ATOM 354 C CYS A 190 -11.408 -6.944 -45.476 1.00 0.00 C ATOM 355 O CYS A 190 -12.603 -6.637 -45.395 1.00 0.00 O ATOM 356 CB CYS A 190 -11.381 -9.138 -44.239 1.00 0.00 C ATOM 357 SG CYS A 190 -10.979 -10.914 -44.265 1.00 0.00 S ATOM 0 H CYS A 190 -9.020 -8.544 -44.952 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.552 -8.838 -46.413 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -10.853 -8.660 -43.414 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -12.447 -9.012 -44.051 1.00 0.00 H new ATOM 362 N HIS A 191 -10.434 -6.021 -45.464 1.00 0.00 N ATOM 363 CA HIS A 191 -10.627 -4.573 -45.270 1.00 0.00 C ATOM 364 C HIS A 191 -11.459 -4.305 -43.999 1.00 0.00 C ATOM 365 O HIS A 191 -12.527 -3.686 -44.035 1.00 0.00 O ATOM 366 CB HIS A 191 -11.147 -3.914 -46.561 1.00 0.00 C ATOM 367 CG HIS A 191 -10.955 -2.418 -46.574 1.00 0.00 C ATOM 368 ND1 HIS A 191 -9.811 -1.754 -46.978 1.00 0.00 N ATOM 369 CD2 HIS A 191 -11.864 -1.475 -46.178 1.00 0.00 C ATOM 370 CE1 HIS A 191 -10.020 -0.431 -46.830 1.00 0.00 C ATOM 371 NE2 HIS A 191 -11.263 -0.241 -46.344 1.00 0.00 N ATOM 0 H HIS A 191 -9.454 -6.270 -45.594 1.00 0.00 H new ATOM 0 HA HIS A 191 -9.671 -4.085 -45.083 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -10.632 -4.349 -47.418 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -12.207 -4.140 -46.677 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -12.861 -1.660 -45.806 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -9.309 0.348 -47.062 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -11.689 0.662 -46.134 1.00 0.00 H new ATOM 380 N ALA A 192 -10.970 -4.830 -42.872 1.00 0.00 N ATOM 381 CA ALA A 192 -11.618 -4.804 -41.557 1.00 0.00 C ATOM 382 C ALA A 192 -10.678 -4.266 -40.463 1.00 0.00 C ATOM 383 O ALA A 192 -9.467 -4.467 -40.535 1.00 0.00 O ATOM 384 CB ALA A 192 -12.085 -6.234 -41.237 1.00 0.00 C ATOM 0 H ALA A 192 -10.069 -5.307 -42.850 1.00 0.00 H new ATOM 0 HA ALA A 192 -12.470 -4.124 -41.582 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -12.572 -6.248 -40.262 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -12.789 -6.566 -42.000 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -11.225 -6.903 -41.222 1.00 0.00 H new ATOM 390 N THR A 193 -11.235 -3.598 -39.448 1.00 0.00 N ATOM 391 CA THR A 193 -10.492 -2.957 -38.340 1.00 0.00 C ATOM 392 C THR A 193 -10.979 -3.479 -36.985 1.00 0.00 C ATOM 393 O THR A 193 -12.167 -3.776 -36.827 1.00 0.00 O ATOM 394 CB THR A 193 -10.662 -1.424 -38.408 1.00 0.00 C ATOM 395 OG1 THR A 193 -10.374 -0.950 -39.710 1.00 0.00 O ATOM 396 CG2 THR A 193 -9.740 -0.655 -37.459 1.00 0.00 C ATOM 0 H THR A 193 -12.245 -3.481 -39.365 1.00 0.00 H new ATOM 0 HA THR A 193 -9.436 -3.206 -38.445 1.00 0.00 H new ATOM 0 HB THR A 193 -11.698 -1.248 -38.119 1.00 0.00 H new ATOM 0 HG1 THR A 193 -10.488 0.023 -39.737 1.00 0.00 H new ATOM 0 HG21 THR A 193 -9.919 0.415 -37.565 1.00 0.00 H new ATOM 0 HG22 THR A 193 -9.943 -0.956 -36.431 1.00 0.00 H new ATOM 0 HG23 THR A 193 -8.701 -0.875 -37.704 1.00 0.00 H new ATOM 404 N PHE A 194 -10.080 -3.585 -35.999 1.00 0.00 N ATOM 405 CA PHE A 194 -10.367 -4.120 -34.660 1.00 0.00 C ATOM 406 C PHE A 194 -9.735 -3.235 -33.576 1.00 0.00 C ATOM 407 O PHE A 194 -8.727 -2.570 -33.819 1.00 0.00 O ATOM 408 CB PHE A 194 -9.854 -5.574 -34.558 1.00 0.00 C ATOM 409 CG PHE A 194 -9.943 -6.362 -35.856 1.00 0.00 C ATOM 410 CD1 PHE A 194 -11.190 -6.819 -36.325 1.00 0.00 C ATOM 411 CD2 PHE A 194 -8.797 -6.517 -36.662 1.00 0.00 C ATOM 412 CE1 PHE A 194 -11.292 -7.397 -37.602 1.00 0.00 C ATOM 413 CE2 PHE A 194 -8.899 -7.092 -37.938 1.00 0.00 C ATOM 414 CZ PHE A 194 -10.149 -7.521 -38.411 1.00 0.00 C ATOM 0 H PHE A 194 -9.109 -3.294 -36.112 1.00 0.00 H new ATOM 0 HA PHE A 194 -11.445 -4.119 -34.501 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -8.816 -5.558 -34.227 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -10.426 -6.095 -33.790 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -12.068 -6.725 -35.703 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -7.835 -6.191 -36.295 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -12.249 -7.746 -37.962 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -8.019 -7.204 -38.554 1.00 0.00 H new ATOM 0 HZ PHE A 194 -10.233 -7.948 -39.400 1.00 0.00 H new ATOM 424 N ASN A 195 -10.326 -3.226 -32.377 1.00 0.00 N ATOM 425 CA ASN A 195 -9.893 -2.397 -31.241 1.00 0.00 C ATOM 426 C ASN A 195 -9.811 -3.197 -29.919 1.00 0.00 C ATOM 427 O ASN A 195 -9.856 -2.621 -28.833 1.00 0.00 O ATOM 428 CB ASN A 195 -10.845 -1.187 -31.129 1.00 0.00 C ATOM 429 CG ASN A 195 -10.966 -0.373 -32.411 1.00 0.00 C ATOM 430 OD1 ASN A 195 -10.050 0.313 -32.841 1.00 0.00 O ATOM 431 ND2 ASN A 195 -12.107 -0.410 -33.065 1.00 0.00 N ATOM 0 H ASN A 195 -11.137 -3.806 -32.162 1.00 0.00 H new ATOM 0 HA ASN A 195 -8.877 -2.046 -31.424 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -11.835 -1.542 -30.841 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -10.495 -0.535 -30.329 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -12.221 0.131 -33.922 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -12.877 -0.979 -32.715 1.00 0.00 H new ATOM 438 N ASP A 196 -9.706 -4.529 -29.998 1.00 0.00 N ATOM 439 CA ASP A 196 -9.624 -5.461 -28.862 1.00 0.00 C ATOM 440 C ASP A 196 -8.729 -6.668 -29.215 1.00 0.00 C ATOM 441 O ASP A 196 -8.635 -7.031 -30.395 1.00 0.00 O ATOM 442 CB ASP A 196 -11.039 -5.936 -28.486 1.00 0.00 C ATOM 443 CG ASP A 196 -11.847 -4.854 -27.763 1.00 0.00 C ATOM 444 OD1 ASP A 196 -11.569 -4.630 -26.560 1.00 0.00 O ATOM 445 OD2 ASP A 196 -12.756 -4.271 -28.401 1.00 0.00 O ATOM 0 H ASP A 196 -9.674 -5.011 -30.896 1.00 0.00 H new ATOM 0 HA ASP A 196 -9.179 -4.946 -28.010 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -11.569 -6.239 -29.389 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -10.966 -6.817 -27.849 1.00 0.00 H new ATOM 450 N PRO A 197 -8.074 -7.311 -28.224 1.00 0.00 N ATOM 451 CA PRO A 197 -7.147 -8.416 -28.477 1.00 0.00 C ATOM 452 C PRO A 197 -7.834 -9.661 -29.035 1.00 0.00 C ATOM 453 O PRO A 197 -7.399 -10.238 -30.031 1.00 0.00 O ATOM 454 CB PRO A 197 -6.502 -8.745 -27.120 1.00 0.00 C ATOM 455 CG PRO A 197 -7.456 -8.160 -26.078 1.00 0.00 C ATOM 456 CD PRO A 197 -8.142 -7.006 -26.799 1.00 0.00 C ATOM 0 HA PRO A 197 -6.421 -8.116 -29.232 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -6.385 -9.821 -26.989 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -5.509 -8.304 -27.038 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -8.178 -8.903 -25.739 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -6.917 -7.814 -25.196 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.177 -6.905 -26.473 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -7.645 -6.061 -26.580 1.00 0.00 H new ATOM 464 N VAL A 198 -8.915 -10.079 -28.376 1.00 0.00 N ATOM 465 CA VAL A 198 -9.674 -11.283 -28.732 1.00 0.00 C ATOM 466 C VAL A 198 -10.406 -11.091 -30.059 1.00 0.00 C ATOM 467 O VAL A 198 -10.436 -12.018 -30.860 1.00 0.00 O ATOM 468 CB VAL A 198 -10.604 -11.684 -27.572 1.00 0.00 C ATOM 469 CG1 VAL A 198 -11.445 -12.926 -27.892 1.00 0.00 C ATOM 470 CG2 VAL A 198 -9.758 -11.996 -26.324 1.00 0.00 C ATOM 0 H VAL A 198 -9.295 -9.585 -27.568 1.00 0.00 H new ATOM 0 HA VAL A 198 -8.987 -12.115 -28.886 1.00 0.00 H new ATOM 0 HB VAL A 198 -11.279 -10.845 -27.403 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -12.082 -13.164 -27.040 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -12.066 -12.729 -28.766 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -10.785 -13.769 -28.098 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -10.414 -12.280 -25.501 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -9.075 -12.817 -26.543 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -9.185 -11.112 -26.043 1.00 0.00 H new ATOM 480 N MET A 199 -10.923 -9.891 -30.351 1.00 0.00 N ATOM 481 CA MET A 199 -11.561 -9.595 -31.643 1.00 0.00 C ATOM 482 C MET A 199 -10.553 -9.746 -32.794 1.00 0.00 C ATOM 483 O MET A 199 -10.837 -10.429 -33.778 1.00 0.00 O ATOM 484 CB MET A 199 -12.159 -8.180 -31.610 1.00 0.00 C ATOM 485 CG MET A 199 -12.964 -7.809 -32.864 1.00 0.00 C ATOM 486 SD MET A 199 -14.537 -8.691 -33.103 1.00 0.00 S ATOM 487 CE MET A 199 -14.043 -10.029 -34.228 1.00 0.00 C ATOM 0 H MET A 199 -10.912 -9.102 -29.705 1.00 0.00 H new ATOM 0 HA MET A 199 -12.366 -10.309 -31.817 1.00 0.00 H new ATOM 0 HB2 MET A 199 -12.806 -8.091 -30.737 1.00 0.00 H new ATOM 0 HB3 MET A 199 -11.351 -7.459 -31.483 1.00 0.00 H new ATOM 0 HG2 MET A 199 -13.173 -6.740 -32.832 1.00 0.00 H new ATOM 0 HG3 MET A 199 -12.337 -7.986 -33.738 1.00 0.00 H new ATOM 0 HE1 MET A 199 -14.913 -10.374 -34.787 1.00 0.00 H new ATOM 0 HE2 MET A 199 -13.288 -9.660 -34.923 1.00 0.00 H new ATOM 0 HE3 MET A 199 -13.631 -10.856 -33.650 1.00 0.00 H new ATOM 497 N ALA A 200 -9.356 -9.164 -32.649 1.00 0.00 N ATOM 498 CA ALA A 200 -8.279 -9.297 -33.630 1.00 0.00 C ATOM 499 C ALA A 200 -7.883 -10.771 -33.822 1.00 0.00 C ATOM 500 O ALA A 200 -7.872 -11.282 -34.945 1.00 0.00 O ATOM 501 CB ALA A 200 -7.075 -8.478 -33.148 1.00 0.00 C ATOM 0 H ALA A 200 -9.109 -8.587 -31.845 1.00 0.00 H new ATOM 0 HA ALA A 200 -8.622 -8.923 -34.595 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -6.262 -8.567 -33.869 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -7.362 -7.431 -33.052 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -6.744 -8.854 -32.180 1.00 0.00 H new ATOM 507 N GLN A 201 -7.582 -11.465 -32.718 1.00 0.00 N ATOM 508 CA GLN A 201 -7.168 -12.867 -32.729 1.00 0.00 C ATOM 509 C GLN A 201 -8.220 -13.791 -33.371 1.00 0.00 C ATOM 510 O GLN A 201 -7.875 -14.630 -34.204 1.00 0.00 O ATOM 511 CB GLN A 201 -6.829 -13.300 -31.292 1.00 0.00 C ATOM 512 CG GLN A 201 -6.227 -14.713 -31.226 1.00 0.00 C ATOM 513 CD GLN A 201 -5.793 -15.108 -29.812 1.00 0.00 C ATOM 514 OE1 GLN A 201 -6.413 -14.770 -28.811 1.00 0.00 O ATOM 515 NE2 GLN A 201 -4.711 -15.845 -29.667 1.00 0.00 N ATOM 0 H GLN A 201 -7.621 -11.061 -31.782 1.00 0.00 H new ATOM 0 HA GLN A 201 -6.280 -12.960 -33.354 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -6.126 -12.589 -30.859 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -7.733 -13.265 -30.683 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -6.960 -15.433 -31.590 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -5.367 -14.768 -31.894 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -4.180 -16.138 -30.487 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -4.405 -16.123 -28.735 1.00 0.00 H new ATOM 524 N GLN A 202 -9.501 -13.622 -33.017 1.00 0.00 N ATOM 525 CA GLN A 202 -10.617 -14.393 -33.575 1.00 0.00 C ATOM 526 C GLN A 202 -10.786 -14.120 -35.074 1.00 0.00 C ATOM 527 O GLN A 202 -10.982 -15.062 -35.844 1.00 0.00 O ATOM 528 CB GLN A 202 -11.926 -14.065 -32.830 1.00 0.00 C ATOM 529 CG GLN A 202 -12.009 -14.691 -31.424 1.00 0.00 C ATOM 530 CD GLN A 202 -12.335 -16.187 -31.409 1.00 0.00 C ATOM 531 OE1 GLN A 202 -12.222 -16.912 -32.390 1.00 0.00 O ATOM 532 NE2 GLN A 202 -12.766 -16.717 -30.283 1.00 0.00 N ATOM 0 H GLN A 202 -9.794 -12.934 -32.323 1.00 0.00 H new ATOM 0 HA GLN A 202 -10.388 -15.450 -33.443 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -12.023 -12.983 -32.743 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -12.770 -14.414 -33.425 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -11.058 -14.535 -30.915 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -12.769 -14.161 -30.849 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -12.869 -16.135 -29.452 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -12.997 -17.710 -30.242 1.00 0.00 H new ATOM 541 N HIS A 203 -10.675 -12.858 -35.510 1.00 0.00 N ATOM 542 CA HIS A 203 -10.781 -12.520 -36.929 1.00 0.00 C ATOM 543 C HIS A 203 -9.722 -13.264 -37.758 1.00 0.00 C ATOM 544 O HIS A 203 -10.071 -13.949 -38.715 1.00 0.00 O ATOM 545 CB HIS A 203 -10.691 -11.002 -37.156 1.00 0.00 C ATOM 546 CG HIS A 203 -10.902 -10.673 -38.614 1.00 0.00 C ATOM 547 ND1 HIS A 203 -12.121 -10.530 -39.244 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.941 -10.674 -39.594 1.00 0.00 C ATOM 549 CE1 HIS A 203 -11.903 -10.489 -40.570 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.590 -10.593 -40.830 1.00 0.00 N ATOM 0 H HIS A 203 -10.512 -12.058 -34.899 1.00 0.00 H new ATOM 0 HA HIS A 203 -11.764 -12.846 -37.269 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -11.440 -10.492 -36.550 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -9.716 -10.637 -36.832 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.029 -10.466 -38.784 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.874 -10.728 -39.438 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -12.674 -10.387 -41.319 1.00 0.00 H new ATOM 558 N TYR A 204 -8.442 -13.182 -37.376 1.00 0.00 N ATOM 559 CA TYR A 204 -7.324 -13.813 -38.094 1.00 0.00 C ATOM 560 C TYR A 204 -7.342 -15.358 -38.193 1.00 0.00 C ATOM 561 O TYR A 204 -6.455 -15.927 -38.836 1.00 0.00 O ATOM 562 CB TYR A 204 -5.996 -13.327 -37.486 1.00 0.00 C ATOM 563 CG TYR A 204 -5.757 -11.824 -37.507 1.00 0.00 C ATOM 564 CD1 TYR A 204 -6.118 -11.051 -38.631 1.00 0.00 C ATOM 565 CD2 TYR A 204 -5.131 -11.201 -36.408 1.00 0.00 C ATOM 566 CE1 TYR A 204 -5.878 -9.666 -38.649 1.00 0.00 C ATOM 567 CE2 TYR A 204 -4.878 -9.816 -36.426 1.00 0.00 C ATOM 568 CZ TYR A 204 -5.245 -9.045 -37.550 1.00 0.00 C ATOM 569 OH TYR A 204 -4.953 -7.717 -37.572 1.00 0.00 O ATOM 0 H TYR A 204 -8.147 -12.667 -36.546 1.00 0.00 H new ATOM 0 HA TYR A 204 -7.439 -13.493 -39.130 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -5.948 -13.667 -36.451 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -5.178 -13.811 -38.019 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -6.582 -11.526 -39.483 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -4.844 -11.789 -35.548 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.178 -9.077 -39.503 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -4.403 -9.343 -35.579 1.00 0.00 H new ATOM 0 HH TYR A 204 -5.043 -7.377 -38.487 1.00 0.00 H new ATOM 579 N VAL A 205 -8.318 -16.053 -37.591 1.00 0.00 N ATOM 580 CA VAL A 205 -8.432 -17.528 -37.626 1.00 0.00 C ATOM 581 C VAL A 205 -9.840 -18.043 -37.979 1.00 0.00 C ATOM 582 O VAL A 205 -9.985 -19.199 -38.380 1.00 0.00 O ATOM 583 CB VAL A 205 -7.898 -18.119 -36.300 1.00 0.00 C ATOM 584 CG1 VAL A 205 -8.858 -17.926 -35.120 1.00 0.00 C ATOM 585 CG2 VAL A 205 -7.535 -19.604 -36.411 1.00 0.00 C ATOM 0 H VAL A 205 -9.063 -15.605 -37.057 1.00 0.00 H new ATOM 0 HA VAL A 205 -7.811 -17.882 -38.449 1.00 0.00 H new ATOM 0 HB VAL A 205 -6.990 -17.549 -36.102 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -8.423 -18.363 -34.221 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -9.028 -16.861 -34.960 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -9.807 -18.416 -35.339 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -7.167 -19.961 -35.449 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -8.419 -20.174 -36.696 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -6.761 -19.734 -37.167 1.00 0.00 H new ATOM 595 N GLY A 206 -10.881 -17.209 -37.864 1.00 0.00 N ATOM 596 CA GLY A 206 -12.271 -17.576 -38.160 1.00 0.00 C ATOM 597 C GLY A 206 -12.549 -17.932 -39.629 1.00 0.00 C ATOM 598 O GLY A 206 -11.851 -17.496 -40.549 1.00 0.00 O ATOM 0 H GLY A 206 -10.778 -16.242 -37.557 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -12.547 -18.427 -37.537 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -12.919 -16.748 -37.874 1.00 0.00 H new ATOM 602 N LYS A 207 -13.612 -18.718 -39.856 1.00 0.00 N ATOM 603 CA LYS A 207 -14.050 -19.187 -41.188 1.00 0.00 C ATOM 604 C LYS A 207 -14.273 -18.051 -42.192 1.00 0.00 C ATOM 605 O LYS A 207 -13.888 -18.176 -43.354 1.00 0.00 O ATOM 606 CB LYS A 207 -15.318 -20.050 -41.046 1.00 0.00 C ATOM 607 CG LYS A 207 -15.036 -21.374 -40.312 1.00 0.00 C ATOM 608 CD LYS A 207 -16.254 -22.309 -40.195 1.00 0.00 C ATOM 609 CE LYS A 207 -17.229 -21.950 -39.062 1.00 0.00 C ATOM 610 NZ LYS A 207 -18.095 -20.797 -39.389 1.00 0.00 N ATOM 0 H LYS A 207 -14.209 -19.056 -39.101 1.00 0.00 H new ATOM 0 HA LYS A 207 -13.238 -19.789 -41.596 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -16.079 -19.489 -40.503 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.724 -20.263 -42.035 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.237 -21.901 -40.834 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.669 -21.149 -39.311 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -16.796 -22.298 -41.140 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -15.900 -23.328 -40.043 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -17.854 -22.815 -38.840 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -16.661 -21.726 -38.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -19.012 -20.905 -38.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -17.639 -19.919 -39.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -18.244 -20.755 -40.417 1.00 0.00 H new ATOM 624 N LYS A 208 -14.850 -16.926 -41.753 1.00 0.00 N ATOM 625 CA LYS A 208 -15.096 -15.743 -42.603 1.00 0.00 C ATOM 626 C LYS A 208 -13.801 -15.167 -43.192 1.00 0.00 C ATOM 627 O LYS A 208 -13.772 -14.847 -44.379 1.00 0.00 O ATOM 628 CB LYS A 208 -15.884 -14.677 -41.822 1.00 0.00 C ATOM 629 CG LYS A 208 -17.320 -15.142 -41.529 1.00 0.00 C ATOM 630 CD LYS A 208 -18.123 -14.058 -40.793 1.00 0.00 C ATOM 631 CE LYS A 208 -19.587 -14.468 -40.585 1.00 0.00 C ATOM 632 NZ LYS A 208 -19.719 -15.616 -39.662 1.00 0.00 N ATOM 0 H LYS A 208 -15.164 -16.805 -40.790 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.700 -16.067 -43.451 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -15.372 -14.459 -40.885 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -15.910 -13.750 -42.394 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -17.820 -15.395 -42.464 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -17.294 -16.050 -40.926 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -17.661 -13.859 -39.826 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -18.084 -13.129 -41.362 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -20.148 -13.620 -40.191 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -20.031 -14.724 -41.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -20.725 -15.848 -39.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -19.221 -16.439 -40.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -19.304 -15.370 -38.741 1.00 0.00 H new ATOM 646 N HIS A 209 -12.721 -15.104 -42.405 1.00 0.00 N ATOM 647 CA HIS A 209 -11.407 -14.641 -42.875 1.00 0.00 C ATOM 648 C HIS A 209 -10.824 -15.618 -43.898 1.00 0.00 C ATOM 649 O HIS A 209 -10.396 -15.192 -44.966 1.00 0.00 O ATOM 650 CB HIS A 209 -10.473 -14.430 -41.681 1.00 0.00 C ATOM 651 CG HIS A 209 -9.058 -14.030 -42.042 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.624 -12.749 -42.402 1.00 0.00 N ATOM 653 CD2 HIS A 209 -7.977 -14.863 -42.016 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.300 -12.849 -42.604 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.884 -14.110 -42.384 1.00 0.00 N ATOM 0 H HIS A 209 -12.732 -15.373 -41.421 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.522 -13.683 -43.382 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -10.899 -13.661 -41.036 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.438 -15.351 -41.099 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -7.978 -15.911 -41.757 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.659 -12.032 -42.901 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.926 -14.449 -42.474 1.00 0.00 H new ATOM 663 N ARG A 210 -10.883 -16.934 -43.633 1.00 0.00 N ATOM 664 CA ARG A 210 -10.453 -17.985 -44.583 1.00 0.00 C ATOM 665 C ARG A 210 -11.169 -17.833 -45.933 1.00 0.00 C ATOM 666 O ARG A 210 -10.519 -17.849 -46.981 1.00 0.00 O ATOM 667 CB ARG A 210 -10.710 -19.385 -43.983 1.00 0.00 C ATOM 668 CG ARG A 210 -9.588 -19.990 -43.121 1.00 0.00 C ATOM 669 CD ARG A 210 -8.991 -19.075 -42.041 1.00 0.00 C ATOM 670 NE ARG A 210 -7.809 -18.350 -42.552 1.00 0.00 N ATOM 671 CZ ARG A 210 -6.599 -18.315 -42.017 1.00 0.00 C ATOM 672 NH1 ARG A 210 -6.297 -18.902 -40.888 1.00 0.00 N ATOM 673 NH2 ARG A 210 -5.641 -17.673 -42.627 1.00 0.00 N ATOM 0 H ARG A 210 -11.232 -17.305 -42.749 1.00 0.00 H new ATOM 0 HA ARG A 210 -9.383 -17.872 -44.758 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.614 -19.333 -43.376 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -10.916 -20.073 -44.803 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -9.975 -20.886 -42.635 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -8.783 -20.309 -43.783 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -9.744 -18.361 -41.708 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -8.709 -19.669 -41.172 1.00 0.00 H new ATOM 0 HE ARG A 210 -7.940 -17.818 -43.412 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -7.011 -19.419 -40.375 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -5.347 -18.843 -40.521 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -5.826 -17.201 -43.512 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -4.707 -17.643 -42.219 1.00 0.00 H new ATOM 687 N LYS A 211 -12.495 -17.648 -45.913 1.00 0.00 N ATOM 688 CA LYS A 211 -13.327 -17.449 -47.113 1.00 0.00 C ATOM 689 C LYS A 211 -12.973 -16.162 -47.867 1.00 0.00 C ATOM 690 O LYS A 211 -12.666 -16.233 -49.056 1.00 0.00 O ATOM 691 CB LYS A 211 -14.823 -17.487 -46.733 1.00 0.00 C ATOM 692 CG LYS A 211 -15.474 -18.867 -46.934 1.00 0.00 C ATOM 693 CD LYS A 211 -14.925 -19.969 -46.012 1.00 0.00 C ATOM 694 CE LYS A 211 -15.552 -21.337 -46.314 1.00 0.00 C ATOM 695 NZ LYS A 211 -16.992 -21.373 -45.979 1.00 0.00 N ATOM 0 H LYS A 211 -13.033 -17.632 -45.047 1.00 0.00 H new ATOM 0 HA LYS A 211 -13.118 -18.270 -47.799 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.932 -17.191 -45.689 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -15.360 -16.750 -47.331 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -16.548 -18.776 -46.771 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -15.334 -19.174 -47.970 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -13.843 -20.033 -46.128 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -15.119 -19.703 -44.973 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -15.420 -21.571 -47.370 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -15.029 -22.108 -45.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -17.361 -22.333 -46.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -17.123 -21.109 -44.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -17.506 -20.703 -46.585 1.00 0.00 H new ATOM 709 N GLN A 212 -12.984 -14.999 -47.213 1.00 0.00 N ATOM 710 CA GLN A 212 -12.677 -13.715 -47.867 1.00 0.00 C ATOM 711 C GLN A 212 -11.222 -13.630 -48.367 1.00 0.00 C ATOM 712 O GLN A 212 -10.980 -13.113 -49.458 1.00 0.00 O ATOM 713 CB GLN A 212 -13.046 -12.543 -46.944 1.00 0.00 C ATOM 714 CG GLN A 212 -14.505 -12.077 -47.108 1.00 0.00 C ATOM 715 CD GLN A 212 -15.561 -13.136 -46.783 1.00 0.00 C ATOM 716 OE1 GLN A 212 -15.880 -14.007 -47.583 1.00 0.00 O ATOM 717 NE2 GLN A 212 -16.176 -13.087 -45.621 1.00 0.00 N ATOM 0 H GLN A 212 -13.204 -14.915 -46.221 1.00 0.00 H new ATOM 0 HA GLN A 212 -13.294 -13.648 -48.763 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -12.880 -12.839 -45.908 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -12.379 -11.705 -47.147 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.669 -11.212 -46.465 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -14.651 -11.743 -48.135 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -15.925 -12.369 -44.941 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -16.904 -13.767 -45.400 1.00 0.00 H new ATOM 726 N GLU A 213 -10.257 -14.195 -47.635 1.00 0.00 N ATOM 727 CA GLU A 213 -8.854 -14.294 -48.061 1.00 0.00 C ATOM 728 C GLU A 213 -8.752 -15.126 -49.351 1.00 0.00 C ATOM 729 O GLU A 213 -8.079 -14.720 -50.301 1.00 0.00 O ATOM 730 CB GLU A 213 -8.033 -14.905 -46.913 1.00 0.00 C ATOM 731 CG GLU A 213 -6.553 -15.141 -47.228 1.00 0.00 C ATOM 732 CD GLU A 213 -5.790 -15.540 -45.955 1.00 0.00 C ATOM 733 OE1 GLU A 213 -6.156 -16.571 -45.339 1.00 0.00 O ATOM 734 OE2 GLU A 213 -4.836 -14.815 -45.586 1.00 0.00 O ATOM 0 H GLU A 213 -10.429 -14.603 -46.716 1.00 0.00 H new ATOM 0 HA GLU A 213 -8.452 -13.306 -48.285 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -8.104 -14.248 -46.046 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -8.485 -15.856 -46.630 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -6.455 -15.925 -47.979 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -6.117 -14.237 -47.653 1.00 0.00 H new ATOM 741 N THR A 214 -9.474 -16.253 -49.420 1.00 0.00 N ATOM 742 CA THR A 214 -9.545 -17.100 -50.622 1.00 0.00 C ATOM 743 C THR A 214 -10.184 -16.340 -51.790 1.00 0.00 C ATOM 744 O THR A 214 -9.656 -16.393 -52.901 1.00 0.00 O ATOM 745 CB THR A 214 -10.301 -18.414 -50.349 1.00 0.00 C ATOM 746 OG1 THR A 214 -9.664 -19.135 -49.315 1.00 0.00 O ATOM 747 CG2 THR A 214 -10.324 -19.346 -51.563 1.00 0.00 C ATOM 0 H THR A 214 -10.029 -16.606 -48.640 1.00 0.00 H new ATOM 0 HA THR A 214 -8.523 -17.359 -50.898 1.00 0.00 H new ATOM 0 HB THR A 214 -11.318 -18.122 -50.088 1.00 0.00 H new ATOM 0 HG1 THR A 214 -9.908 -18.748 -48.448 1.00 0.00 H new ATOM 0 HG21 THR A 214 -10.870 -20.256 -51.313 1.00 0.00 H new ATOM 0 HG22 THR A 214 -10.816 -18.845 -52.397 1.00 0.00 H new ATOM 0 HG23 THR A 214 -9.303 -19.601 -51.845 1.00 0.00 H new ATOM 755 N LYS A 215 -11.276 -15.590 -51.563 1.00 0.00 N ATOM 756 CA LYS A 215 -11.934 -14.771 -52.602 1.00 0.00 C ATOM 757 C LYS A 215 -10.992 -13.712 -53.182 1.00 0.00 C ATOM 758 O LYS A 215 -10.901 -13.591 -54.403 1.00 0.00 O ATOM 759 CB LYS A 215 -13.208 -14.101 -52.061 1.00 0.00 C ATOM 760 CG LYS A 215 -14.361 -15.090 -51.839 1.00 0.00 C ATOM 761 CD LYS A 215 -15.595 -14.354 -51.294 1.00 0.00 C ATOM 762 CE LYS A 215 -16.750 -15.313 -50.987 1.00 0.00 C ATOM 763 NZ LYS A 215 -16.458 -16.150 -49.805 1.00 0.00 N ATOM 0 H LYS A 215 -11.730 -15.533 -50.652 1.00 0.00 H new ATOM 0 HA LYS A 215 -12.210 -15.453 -53.407 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -12.978 -13.603 -51.119 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -13.529 -13.328 -52.759 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -14.610 -15.586 -52.777 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -14.054 -15.867 -51.139 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -15.323 -13.813 -50.388 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -15.924 -13.612 -52.021 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -17.662 -14.742 -50.814 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -16.933 -15.952 -51.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.292 -16.727 -49.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -15.652 -16.774 -50.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.224 -15.539 -48.996 1.00 0.00 H new ATOM 777 N LEU A 216 -10.265 -12.967 -52.341 1.00 0.00 N ATOM 778 CA LEU A 216 -9.310 -11.957 -52.816 1.00 0.00 C ATOM 779 C LEU A 216 -8.134 -12.604 -53.568 1.00 0.00 C ATOM 780 O LEU A 216 -7.739 -12.109 -54.625 1.00 0.00 O ATOM 781 CB LEU A 216 -8.836 -11.074 -51.647 1.00 0.00 C ATOM 782 CG LEU A 216 -7.942 -9.896 -52.095 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.655 -8.925 -53.043 1.00 0.00 C ATOM 784 CD2 LEU A 216 -7.481 -9.102 -50.877 1.00 0.00 C ATOM 0 H LEU A 216 -10.320 -13.044 -51.325 1.00 0.00 H new ATOM 0 HA LEU A 216 -9.819 -11.312 -53.532 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.706 -10.681 -51.121 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -8.285 -11.689 -50.936 1.00 0.00 H new ATOM 0 HG LEU A 216 -7.101 -10.340 -52.628 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -7.973 -8.121 -53.320 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -8.971 -9.458 -53.940 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -9.528 -8.505 -52.544 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.851 -8.273 -51.200 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -8.350 -8.712 -50.347 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -6.912 -9.752 -50.213 1.00 0.00 H new ATOM 796 N LYS A 217 -7.607 -13.733 -53.072 1.00 0.00 N ATOM 797 CA LYS A 217 -6.539 -14.494 -53.745 1.00 0.00 C ATOM 798 C LYS A 217 -6.998 -14.971 -55.129 1.00 0.00 C ATOM 799 O LYS A 217 -6.274 -14.801 -56.109 1.00 0.00 O ATOM 800 CB LYS A 217 -6.097 -15.655 -52.838 1.00 0.00 C ATOM 801 CG LYS A 217 -4.878 -16.404 -53.404 1.00 0.00 C ATOM 802 CD LYS A 217 -4.350 -17.484 -52.448 1.00 0.00 C ATOM 803 CE LYS A 217 -5.361 -18.618 -52.239 1.00 0.00 C ATOM 804 NZ LYS A 217 -4.809 -19.667 -51.357 1.00 0.00 N ATOM 0 H LYS A 217 -7.909 -14.147 -52.190 1.00 0.00 H new ATOM 0 HA LYS A 217 -5.676 -13.850 -53.914 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -5.856 -15.269 -51.848 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -6.925 -16.353 -52.715 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -5.149 -16.866 -54.353 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -4.082 -15.689 -53.613 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -3.422 -17.896 -52.845 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -4.112 -17.030 -51.486 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -6.277 -18.217 -51.804 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -5.629 -19.052 -53.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -5.513 -20.422 -51.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -3.949 -20.064 -51.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -4.576 -19.255 -50.431 1.00 0.00 H new ATOM 818 N LEU A 218 -8.218 -15.509 -55.226 1.00 0.00 N ATOM 819 CA LEU A 218 -8.835 -15.943 -56.483 1.00 0.00 C ATOM 820 C LEU A 218 -9.022 -14.759 -57.449 1.00 0.00 C ATOM 821 O LEU A 218 -8.714 -14.884 -58.633 1.00 0.00 O ATOM 822 CB LEU A 218 -10.164 -16.652 -56.163 1.00 0.00 C ATOM 823 CG LEU A 218 -10.923 -17.194 -57.389 1.00 0.00 C ATOM 824 CD1 LEU A 218 -10.119 -18.247 -58.156 1.00 0.00 C ATOM 825 CD2 LEU A 218 -12.234 -17.834 -56.931 1.00 0.00 C ATOM 0 H LEU A 218 -8.817 -15.658 -54.414 1.00 0.00 H new ATOM 0 HA LEU A 218 -8.178 -16.648 -56.993 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -9.962 -17.480 -55.484 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -10.812 -15.955 -55.632 1.00 0.00 H new ATOM 0 HG LEU A 218 -11.103 -16.349 -58.054 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -10.699 -18.596 -59.010 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -9.185 -17.808 -58.506 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -9.900 -19.088 -57.498 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -12.773 -18.218 -57.797 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -12.019 -18.653 -56.245 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -12.846 -17.087 -56.425 1.00 0.00 H new ATOM 837 N MET A 219 -9.470 -13.598 -56.955 1.00 0.00 N ATOM 838 CA MET A 219 -9.603 -12.378 -57.763 1.00 0.00 C ATOM 839 C MET A 219 -8.238 -11.976 -58.343 1.00 0.00 C ATOM 840 O MET A 219 -8.115 -11.788 -59.554 1.00 0.00 O ATOM 841 CB MET A 219 -10.249 -11.263 -56.919 1.00 0.00 C ATOM 842 CG MET A 219 -10.527 -9.974 -57.705 1.00 0.00 C ATOM 843 SD MET A 219 -9.095 -8.886 -57.973 1.00 0.00 S ATOM 844 CE MET A 219 -9.883 -7.595 -58.972 1.00 0.00 C ATOM 0 H MET A 219 -9.751 -13.477 -55.982 1.00 0.00 H new ATOM 0 HA MET A 219 -10.262 -12.561 -58.612 1.00 0.00 H new ATOM 0 HB2 MET A 219 -11.186 -11.632 -56.502 1.00 0.00 H new ATOM 0 HB3 MET A 219 -9.595 -11.031 -56.078 1.00 0.00 H new ATOM 0 HG2 MET A 219 -10.940 -10.245 -58.677 1.00 0.00 H new ATOM 0 HG3 MET A 219 -11.296 -9.408 -57.178 1.00 0.00 H new ATOM 0 HE1 MET A 219 -9.146 -6.835 -59.231 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.286 -8.036 -59.884 1.00 0.00 H new ATOM 0 HE3 MET A 219 -10.692 -7.137 -58.402 1.00 0.00 H new ATOM 854 N ALA A 220 -7.190 -11.914 -57.513 1.00 0.00 N ATOM 855 CA ALA A 220 -5.829 -11.607 -57.956 1.00 0.00 C ATOM 856 C ALA A 220 -5.303 -12.625 -58.991 1.00 0.00 C ATOM 857 O ALA A 220 -4.651 -12.237 -59.961 1.00 0.00 O ATOM 858 CB ALA A 220 -4.920 -11.515 -56.724 1.00 0.00 C ATOM 0 H ALA A 220 -7.265 -12.077 -56.509 1.00 0.00 H new ATOM 0 HA ALA A 220 -5.833 -10.647 -58.473 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -3.902 -11.287 -57.039 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -5.281 -10.727 -56.064 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -4.930 -12.467 -56.192 1.00 0.00 H new ATOM 864 N ARG A 221 -5.620 -13.919 -58.838 1.00 0.00 N ATOM 865 CA ARG A 221 -5.226 -14.996 -59.769 1.00 0.00 C ATOM 866 C ARG A 221 -5.770 -14.817 -61.200 1.00 0.00 C ATOM 867 O ARG A 221 -5.196 -15.376 -62.133 1.00 0.00 O ATOM 868 CB ARG A 221 -5.634 -16.355 -59.158 1.00 0.00 C ATOM 869 CG ARG A 221 -4.990 -17.598 -59.797 1.00 0.00 C ATOM 870 CD ARG A 221 -3.463 -17.607 -59.645 1.00 0.00 C ATOM 871 NE ARG A 221 -2.873 -18.863 -60.139 1.00 0.00 N ATOM 872 CZ ARG A 221 -1.595 -19.199 -60.055 1.00 0.00 C ATOM 873 NH1 ARG A 221 -0.701 -18.441 -59.479 1.00 0.00 N ATOM 874 NH2 ARG A 221 -1.169 -20.326 -60.557 1.00 0.00 N ATOM 0 H ARG A 221 -6.169 -14.257 -58.048 1.00 0.00 H new ATOM 0 HA ARG A 221 -4.143 -14.954 -59.888 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -5.384 -16.345 -58.097 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -6.717 -16.453 -59.229 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -5.404 -18.496 -59.337 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -5.248 -17.634 -60.856 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -3.038 -16.766 -60.192 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -3.201 -17.470 -58.596 1.00 0.00 H new ATOM 0 HE ARG A 221 -3.503 -19.531 -60.584 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -0.977 -17.548 -59.070 1.00 0.00 H new ATOM 0 HH12 ARG A 221 0.273 -18.742 -59.438 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -1.823 -20.958 -61.020 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -0.182 -20.575 -60.487 1.00 0.00 H new ATOM 888 N TYR A 222 -6.835 -14.029 -61.386 1.00 0.00 N ATOM 889 CA TYR A 222 -7.462 -13.755 -62.691 1.00 0.00 C ATOM 890 C TYR A 222 -7.354 -12.283 -63.146 1.00 0.00 C ATOM 891 O TYR A 222 -7.338 -12.023 -64.350 1.00 0.00 O ATOM 892 CB TYR A 222 -8.933 -14.206 -62.648 1.00 0.00 C ATOM 893 CG TYR A 222 -9.136 -15.704 -62.805 1.00 0.00 C ATOM 894 CD1 TYR A 222 -8.964 -16.570 -61.706 1.00 0.00 C ATOM 895 CD2 TYR A 222 -9.506 -16.235 -64.057 1.00 0.00 C ATOM 896 CE1 TYR A 222 -9.156 -17.956 -61.856 1.00 0.00 C ATOM 897 CE2 TYR A 222 -9.707 -17.621 -64.211 1.00 0.00 C ATOM 898 CZ TYR A 222 -9.532 -18.487 -63.109 1.00 0.00 C ATOM 899 OH TYR A 222 -9.725 -19.829 -63.244 1.00 0.00 O ATOM 0 H TYR A 222 -7.300 -13.550 -60.615 1.00 0.00 H new ATOM 0 HA TYR A 222 -6.908 -14.326 -63.436 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -9.370 -13.890 -61.701 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -9.481 -13.693 -63.438 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -8.683 -16.168 -60.744 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -9.636 -15.576 -64.903 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -9.016 -18.614 -61.011 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -9.995 -18.021 -65.172 1.00 0.00 H new ATOM 0 HH TYR A 222 -9.981 -20.031 -64.168 1.00 0.00 H new ATOM 909 N GLY A 223 -7.265 -11.322 -62.218 1.00 0.00 N ATOM 910 CA GLY A 223 -7.180 -9.878 -62.501 1.00 0.00 C ATOM 911 C GLY A 223 -5.788 -9.249 -62.329 1.00 0.00 C ATOM 912 O GLY A 223 -5.577 -8.112 -62.758 1.00 0.00 O ATOM 0 H GLY A 223 -7.249 -11.530 -61.220 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -7.513 -9.706 -63.525 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -7.878 -9.356 -61.847 1.00 0.00 H new ATOM 916 N ARG A 224 -4.835 -9.969 -61.717 1.00 0.00 N ATOM 917 CA ARG A 224 -3.442 -9.541 -61.445 1.00 0.00 C ATOM 918 C ARG A 224 -2.417 -10.641 -61.793 1.00 0.00 C ATOM 919 O ARG A 224 -1.320 -10.677 -61.233 1.00 0.00 O ATOM 920 CB ARG A 224 -3.305 -9.100 -59.969 1.00 0.00 C ATOM 921 CG ARG A 224 -4.305 -8.022 -59.520 1.00 0.00 C ATOM 922 CD ARG A 224 -4.028 -7.617 -58.068 1.00 0.00 C ATOM 923 NE ARG A 224 -5.012 -6.633 -57.586 1.00 0.00 N ATOM 924 CZ ARG A 224 -5.003 -6.043 -56.401 1.00 0.00 C ATOM 925 NH1 ARG A 224 -4.083 -6.277 -55.502 1.00 0.00 N ATOM 926 NH2 ARG A 224 -5.936 -5.185 -56.088 1.00 0.00 N ATOM 0 H ARG A 224 -5.018 -10.914 -61.379 1.00 0.00 H new ATOM 0 HA ARG A 224 -3.220 -8.692 -62.092 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -3.426 -9.975 -59.331 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -2.294 -8.726 -59.809 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -4.228 -7.150 -60.170 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -5.324 -8.399 -59.612 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -4.054 -8.501 -57.431 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -3.025 -7.198 -57.991 1.00 0.00 H new ATOM 0 HE ARG A 224 -5.769 -6.384 -58.223 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -3.332 -6.938 -55.701 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -4.116 -5.799 -54.602 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -6.674 -4.968 -56.757 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -5.926 -4.732 -55.174 1.00 0.00 H new ATOM 940 N LEU A 225 -2.784 -11.554 -62.702 1.00 0.00 N ATOM 941 CA LEU A 225 -1.982 -12.700 -63.156 1.00 0.00 C ATOM 942 C LEU A 225 -0.559 -12.288 -63.588 1.00 0.00 C ATOM 943 O LEU A 225 -0.385 -11.516 -64.536 1.00 0.00 O ATOM 944 CB LEU A 225 -2.772 -13.421 -64.273 1.00 0.00 C ATOM 945 CG LEU A 225 -2.224 -14.758 -64.823 1.00 0.00 C ATOM 946 CD1 LEU A 225 -1.021 -14.609 -65.756 1.00 0.00 C ATOM 947 CD2 LEU A 225 -1.864 -15.760 -63.724 1.00 0.00 C ATOM 0 H LEU A 225 -3.692 -11.512 -63.164 1.00 0.00 H new ATOM 0 HA LEU A 225 -1.822 -13.392 -62.329 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -3.780 -13.605 -63.900 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -2.864 -12.731 -65.112 1.00 0.00 H new ATOM 0 HG LEU A 225 -3.061 -15.144 -65.405 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -0.700 -15.594 -66.096 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -1.301 -14.001 -66.617 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -0.203 -14.126 -65.221 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -1.486 -16.677 -64.177 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -1.098 -15.332 -63.078 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -2.752 -15.987 -63.133 1.00 0.00 H new ATOM 959 N ALA A 226 0.450 -12.812 -62.883 1.00 0.00 N ATOM 960 CA ALA A 226 1.877 -12.556 -63.131 1.00 0.00 C ATOM 961 C ALA A 226 2.807 -13.755 -62.815 1.00 0.00 C ATOM 962 O ALA A 226 3.984 -13.735 -63.180 1.00 0.00 O ATOM 963 CB ALA A 226 2.282 -11.323 -62.309 1.00 0.00 C ATOM 0 H ALA A 226 0.293 -13.446 -62.099 1.00 0.00 H new ATOM 0 HA ALA A 226 2.003 -12.385 -64.200 1.00 0.00 H new ATOM 0 HB1 ALA A 226 3.338 -11.108 -62.472 1.00 0.00 H new ATOM 0 HB2 ALA A 226 1.684 -10.466 -62.620 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.111 -11.519 -61.250 1.00 0.00 H new ATOM 969 N ASP A 227 2.307 -14.806 -62.151 1.00 0.00 N ATOM 970 CA ASP A 227 3.068 -16.013 -61.789 1.00 0.00 C ATOM 971 C ASP A 227 3.578 -16.780 -63.026 1.00 0.00 C ATOM 972 O ASP A 227 2.810 -17.443 -63.738 1.00 0.00 O ATOM 973 CB ASP A 227 2.194 -16.893 -60.875 1.00 0.00 C ATOM 974 CG ASP A 227 2.874 -18.192 -60.416 1.00 0.00 C ATOM 975 OD1 ASP A 227 4.128 -18.231 -60.363 1.00 0.00 O ATOM 976 OD2 ASP A 227 2.128 -19.147 -60.092 1.00 0.00 O ATOM 0 H ASP A 227 1.336 -14.843 -61.842 1.00 0.00 H new ATOM 0 HA ASP A 227 3.966 -15.717 -61.247 1.00 0.00 H new ATOM 0 HB2 ASP A 227 1.910 -16.315 -59.996 1.00 0.00 H new ATOM 0 HB3 ASP A 227 1.274 -17.144 -61.403 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -9.516 -10.892 -42.564 1.00 0.00 ZN