USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 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= -0.196 K(o=-0.2,f=-1.1) USER MOD Set 1.2: A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 25:sc= 0.0373 USER MOD Single : A 169 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0137) 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= 0.119 X(o=0.12,f=0) USER MOD Single : A 199 MET CE :methyl -177:sc= 0 (180deg=-0.00898) USER MOD Single : A 201 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.15) USER MOD Single : A 202 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.078) USER MOD Single : A 204 TYR OH : rot 130:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.272) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 THR OG1 : rot 78:sc= 0.989 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -161:sc= -0.431 (180deg=-1.22) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 -12.514 5.951 -15.267 1.00 0.00 N ATOM 2 CA SER A 168 -11.691 4.889 -15.872 1.00 0.00 C ATOM 3 C SER A 168 -10.177 5.175 -15.823 1.00 0.00 C ATOM 4 O SER A 168 -9.377 4.415 -16.377 1.00 0.00 O ATOM 5 CB SER A 168 -12.135 4.628 -17.320 1.00 0.00 C ATOM 6 OG SER A 168 -13.493 4.209 -17.373 1.00 0.00 O ATOM 0 HA SER A 168 -11.854 3.997 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 168 -12.008 5.535 -17.911 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.498 3.864 -17.767 1.00 0.00 H new ATOM 0 HG SER A 168 -13.969 4.542 -16.584 1.00 0.00 H new ATOM 12 N THR A 169 -9.769 6.270 -15.172 1.00 0.00 N ATOM 13 CA THR A 169 -8.360 6.686 -15.022 1.00 0.00 C ATOM 14 C THR A 169 -7.524 5.712 -14.170 1.00 0.00 C ATOM 15 O THR A 169 -8.059 4.854 -13.458 1.00 0.00 O ATOM 16 CB THR A 169 -8.283 8.129 -14.482 1.00 0.00 C ATOM 17 OG1 THR A 169 -6.976 8.637 -14.647 1.00 0.00 O ATOM 18 CG2 THR A 169 -8.664 8.271 -13.005 1.00 0.00 C ATOM 0 H THR A 169 -10.422 6.911 -14.722 1.00 0.00 H new ATOM 0 HA THR A 169 -7.912 6.659 -16.015 1.00 0.00 H new ATOM 0 HB THR A 169 -9.014 8.692 -15.062 1.00 0.00 H new ATOM 0 HG1 THR A 169 -6.936 9.554 -14.303 1.00 0.00 H new ATOM 0 HG21 THR A 169 -8.583 9.316 -12.707 1.00 0.00 H new ATOM 0 HG22 THR A 169 -9.689 7.931 -12.859 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.991 7.667 -12.396 1.00 0.00 H new ATOM 26 N LYS A 170 -6.194 5.862 -14.223 1.00 0.00 N ATOM 27 CA LYS A 170 -5.198 5.086 -13.467 1.00 0.00 C ATOM 28 C LYS A 170 -3.921 5.921 -13.291 1.00 0.00 C ATOM 29 O LYS A 170 -3.220 6.201 -14.265 1.00 0.00 O ATOM 30 CB LYS A 170 -4.928 3.752 -14.192 1.00 0.00 C ATOM 31 CG LYS A 170 -4.023 2.822 -13.366 1.00 0.00 C ATOM 32 CD LYS A 170 -3.855 1.431 -14.001 1.00 0.00 C ATOM 33 CE LYS A 170 -3.235 1.448 -15.406 1.00 0.00 C ATOM 34 NZ LYS A 170 -1.856 1.982 -15.393 1.00 0.00 N ATOM 0 H LYS A 170 -5.760 6.563 -14.824 1.00 0.00 H new ATOM 0 HA LYS A 170 -5.575 4.850 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -5.875 3.251 -14.395 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -4.460 3.951 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -3.043 3.285 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -4.441 2.711 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -3.231 0.820 -13.349 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -4.831 0.948 -14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -3.229 0.437 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -3.853 2.054 -16.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.473 1.977 -16.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.864 2.956 -15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.260 1.389 -14.781 1.00 0.00 H new ATOM 48 N VAL A 171 -3.640 6.334 -12.053 1.00 0.00 N ATOM 49 CA VAL A 171 -2.473 7.172 -11.688 1.00 0.00 C ATOM 50 C VAL A 171 -1.901 6.858 -10.294 1.00 0.00 C ATOM 51 O VAL A 171 -0.708 7.052 -10.058 1.00 0.00 O ATOM 52 CB VAL A 171 -2.835 8.669 -11.848 1.00 0.00 C ATOM 53 CG1 VAL A 171 -3.940 9.141 -10.892 1.00 0.00 C ATOM 54 CG2 VAL A 171 -1.622 9.595 -11.702 1.00 0.00 C ATOM 0 H VAL A 171 -4.224 6.095 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 171 -1.666 6.927 -12.379 1.00 0.00 H new ATOM 0 HB VAL A 171 -3.214 8.738 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.140 10.199 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -4.848 8.566 -11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.617 8.993 -9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -1.938 10.631 -11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -1.181 9.464 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.883 9.349 -12.464 1.00 0.00 H new ATOM 64 N GLU A 172 -2.714 6.317 -9.381 1.00 0.00 N ATOM 65 CA GLU A 172 -2.332 5.905 -8.021 1.00 0.00 C ATOM 66 C GLU A 172 -3.032 4.584 -7.645 1.00 0.00 C ATOM 67 O GLU A 172 -4.101 4.262 -8.175 1.00 0.00 O ATOM 68 CB GLU A 172 -2.711 6.997 -7.001 1.00 0.00 C ATOM 69 CG GLU A 172 -1.866 8.273 -7.127 1.00 0.00 C ATOM 70 CD GLU A 172 -2.252 9.295 -6.050 1.00 0.00 C ATOM 71 OE1 GLU A 172 -3.160 10.120 -6.316 1.00 0.00 O ATOM 72 OE2 GLU A 172 -1.641 9.257 -4.953 1.00 0.00 O ATOM 0 H GLU A 172 -3.700 6.146 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 172 -1.252 5.757 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.763 7.253 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -2.601 6.596 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.809 8.024 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -2.006 8.710 -8.116 1.00 0.00 H new ATOM 79 N ALA A 173 -2.437 3.814 -6.729 1.00 0.00 N ATOM 80 CA ALA A 173 -2.982 2.535 -6.266 1.00 0.00 C ATOM 81 C ALA A 173 -4.323 2.700 -5.517 1.00 0.00 C ATOM 82 O ALA A 173 -4.475 3.592 -4.676 1.00 0.00 O ATOM 83 CB ALA A 173 -1.930 1.853 -5.380 1.00 0.00 C ATOM 0 H ALA A 173 -1.554 4.064 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 173 -3.202 1.913 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.317 0.898 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -1.022 1.684 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -1.703 2.492 -4.527 1.00 0.00 H new ATOM 89 N LEU A 174 -5.286 1.813 -5.804 1.00 0.00 N ATOM 90 CA LEU A 174 -6.612 1.781 -5.161 1.00 0.00 C ATOM 91 C LEU A 174 -7.273 0.395 -5.300 1.00 0.00 C ATOM 92 O LEU A 174 -7.618 -0.227 -4.293 1.00 0.00 O ATOM 93 CB LEU A 174 -7.504 2.904 -5.754 1.00 0.00 C ATOM 94 CG LEU A 174 -8.164 3.789 -4.680 1.00 0.00 C ATOM 95 CD1 LEU A 174 -8.897 4.954 -5.348 1.00 0.00 C ATOM 96 CD2 LEU A 174 -9.177 3.023 -3.828 1.00 0.00 C ATOM 0 H LEU A 174 -5.165 1.081 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 174 -6.490 1.962 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -6.899 3.530 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -8.281 2.453 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 174 -7.362 4.142 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -9.362 5.577 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -8.187 5.551 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -9.665 4.565 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -9.611 3.695 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -9.966 2.629 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -8.676 2.199 -3.320 1.00 0.00 H new ATOM 108 N HIS A 175 -7.399 -0.101 -6.542 1.00 0.00 N ATOM 109 CA HIS A 175 -7.966 -1.426 -6.883 1.00 0.00 C ATOM 110 C HIS A 175 -7.271 -2.111 -8.075 1.00 0.00 C ATOM 111 O HIS A 175 -7.132 -3.334 -8.073 1.00 0.00 O ATOM 112 CB HIS A 175 -9.474 -1.292 -7.179 1.00 0.00 C ATOM 113 CG HIS A 175 -10.313 -0.857 -6.002 1.00 0.00 C ATOM 114 ND1 HIS A 175 -11.014 0.330 -5.897 1.00 0.00 N ATOM 115 CD2 HIS A 175 -10.549 -1.581 -4.865 1.00 0.00 C ATOM 116 CE1 HIS A 175 -11.664 0.329 -4.717 1.00 0.00 C ATOM 117 NE2 HIS A 175 -11.390 -0.823 -4.073 1.00 0.00 N ATOM 0 H HIS A 175 -7.101 0.422 -7.366 1.00 0.00 H new ATOM 0 HA HIS A 175 -7.796 -2.061 -6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -9.609 -0.575 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -9.846 -2.251 -7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -10.153 -2.558 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -12.300 1.120 -4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -11.744 -1.090 -3.155 1.00 0.00 H new ATOM 126 N GLN A 176 -6.834 -1.340 -9.083 1.00 0.00 N ATOM 127 CA GLN A 176 -6.151 -1.804 -10.310 1.00 0.00 C ATOM 128 C GLN A 176 -6.895 -2.929 -11.078 1.00 0.00 C ATOM 129 O GLN A 176 -6.285 -3.747 -11.769 1.00 0.00 O ATOM 130 CB GLN A 176 -4.680 -2.127 -9.966 1.00 0.00 C ATOM 131 CG GLN A 176 -3.722 -1.977 -11.159 1.00 0.00 C ATOM 132 CD GLN A 176 -2.278 -2.275 -10.757 1.00 0.00 C ATOM 133 OE1 GLN A 176 -1.519 -1.400 -10.359 1.00 0.00 O ATOM 134 NE2 GLN A 176 -1.840 -3.515 -10.835 1.00 0.00 N ATOM 0 H GLN A 176 -6.951 -0.327 -9.068 1.00 0.00 H new ATOM 0 HA GLN A 176 -6.165 -0.993 -11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -4.351 -1.469 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -4.620 -3.148 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -4.025 -2.653 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -3.789 -0.964 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -2.460 -4.255 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -0.881 -3.735 -10.566 1.00 0.00 H new ATOM 143 N ASN A 177 -8.228 -2.984 -10.964 1.00 0.00 N ATOM 144 CA ASN A 177 -9.087 -3.980 -11.612 1.00 0.00 C ATOM 145 C ASN A 177 -9.269 -3.692 -13.119 1.00 0.00 C ATOM 146 O ASN A 177 -10.213 -3.006 -13.521 1.00 0.00 O ATOM 147 CB ASN A 177 -10.425 -4.047 -10.847 1.00 0.00 C ATOM 148 CG ASN A 177 -11.366 -5.118 -11.384 1.00 0.00 C ATOM 149 OD1 ASN A 177 -10.966 -6.087 -12.018 1.00 0.00 O ATOM 150 ND2 ASN A 177 -12.652 -4.986 -11.145 1.00 0.00 N ATOM 0 H ASN A 177 -8.753 -2.315 -10.401 1.00 0.00 H new ATOM 0 HA ASN A 177 -8.611 -4.960 -11.567 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -10.225 -4.242 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -10.918 -3.077 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -13.309 -5.688 -11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -12.993 -4.182 -10.618 1.00 0.00 H new ATOM 157 N ARG A 178 -8.344 -4.185 -13.953 1.00 0.00 N ATOM 158 CA ARG A 178 -8.336 -4.033 -15.423 1.00 0.00 C ATOM 159 C ARG A 178 -7.979 -5.359 -16.112 1.00 0.00 C ATOM 160 O ARG A 178 -7.274 -6.199 -15.549 1.00 0.00 O ATOM 161 CB ARG A 178 -7.362 -2.916 -15.864 1.00 0.00 C ATOM 162 CG ARG A 178 -7.858 -1.476 -15.629 1.00 0.00 C ATOM 163 CD ARG A 178 -7.513 -0.906 -14.245 1.00 0.00 C ATOM 164 NE ARG A 178 -8.007 0.476 -14.080 1.00 0.00 N ATOM 165 CZ ARG A 178 -9.235 0.842 -13.740 1.00 0.00 C ATOM 166 NH1 ARG A 178 -10.202 -0.014 -13.527 1.00 0.00 N ATOM 167 NH2 ARG A 178 -9.533 2.105 -13.596 1.00 0.00 N ATOM 0 H ARG A 178 -7.547 -4.723 -13.613 1.00 0.00 H new ATOM 0 HA ARG A 178 -9.342 -3.747 -15.729 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -6.419 -3.049 -15.333 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -7.150 -3.040 -16.926 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -7.429 -0.827 -16.393 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -8.940 -1.451 -15.760 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -7.946 -1.541 -13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -6.432 -0.925 -14.104 1.00 0.00 H new ATOM 0 HE ARG A 178 -7.335 1.225 -14.244 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -10.027 -1.015 -13.621 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -11.130 0.319 -13.267 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -8.819 2.818 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -10.480 2.379 -13.334 1.00 0.00 H new ATOM 181 N GLU A 179 -8.476 -5.538 -17.335 1.00 0.00 N ATOM 182 CA GLU A 179 -8.265 -6.733 -18.172 1.00 0.00 C ATOM 183 C GLU A 179 -6.960 -6.662 -19.003 1.00 0.00 C ATOM 184 O GLU A 179 -6.207 -5.684 -18.936 1.00 0.00 O ATOM 185 CB GLU A 179 -9.489 -6.922 -19.093 1.00 0.00 C ATOM 186 CG GLU A 179 -10.785 -7.184 -18.311 1.00 0.00 C ATOM 187 CD GLU A 179 -11.961 -7.439 -19.263 1.00 0.00 C ATOM 188 OE1 GLU A 179 -12.632 -6.451 -19.650 1.00 0.00 O ATOM 189 OE2 GLU A 179 -12.195 -8.623 -19.609 1.00 0.00 O ATOM 0 H GLU A 179 -9.057 -4.835 -17.792 1.00 0.00 H new ATOM 0 HA GLU A 179 -8.155 -7.592 -17.510 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -9.615 -6.032 -19.710 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -9.303 -7.756 -19.770 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -10.650 -8.044 -17.655 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -11.008 -6.329 -17.673 1.00 0.00 H new ATOM 196 N MET A 180 -6.692 -7.708 -19.795 1.00 0.00 N ATOM 197 CA MET A 180 -5.531 -7.834 -20.691 1.00 0.00 C ATOM 198 C MET A 180 -5.475 -6.718 -21.756 1.00 0.00 C ATOM 199 O MET A 180 -6.485 -6.071 -22.057 1.00 0.00 O ATOM 200 CB MET A 180 -5.555 -9.208 -21.392 1.00 0.00 C ATOM 201 CG MET A 180 -5.525 -10.415 -20.441 1.00 0.00 C ATOM 202 SD MET A 180 -7.104 -10.838 -19.643 1.00 0.00 S ATOM 203 CE MET A 180 -6.582 -12.295 -18.698 1.00 0.00 C ATOM 0 H MET A 180 -7.302 -8.524 -19.832 1.00 0.00 H new ATOM 0 HA MET A 180 -4.640 -7.739 -20.070 1.00 0.00 H new ATOM 0 HB2 MET A 180 -6.452 -9.271 -22.008 1.00 0.00 H new ATOM 0 HB3 MET A 180 -4.700 -9.272 -22.065 1.00 0.00 H new ATOM 0 HG2 MET A 180 -5.178 -11.284 -21.000 1.00 0.00 H new ATOM 0 HG3 MET A 180 -4.787 -10.221 -19.662 1.00 0.00 H new ATOM 0 HE1 MET A 180 -7.431 -12.691 -18.141 1.00 0.00 H new ATOM 0 HE2 MET A 180 -6.209 -13.058 -19.382 1.00 0.00 H new ATOM 0 HE3 MET A 180 -5.792 -12.013 -18.002 1.00 0.00 H new ATOM 213 N ILE A 181 -4.293 -6.508 -22.353 1.00 0.00 N ATOM 214 CA ILE A 181 -4.059 -5.506 -23.408 1.00 0.00 C ATOM 215 C ILE A 181 -5.025 -5.683 -24.598 1.00 0.00 C ATOM 216 O ILE A 181 -5.332 -6.801 -25.014 1.00 0.00 O ATOM 217 CB ILE A 181 -2.567 -5.497 -23.820 1.00 0.00 C ATOM 218 CG1 ILE A 181 -2.224 -4.196 -24.579 1.00 0.00 C ATOM 219 CG2 ILE A 181 -2.163 -6.757 -24.608 1.00 0.00 C ATOM 220 CD1 ILE A 181 -0.727 -4.014 -24.863 1.00 0.00 C ATOM 0 H ILE A 181 -3.456 -7.039 -22.113 1.00 0.00 H new ATOM 0 HA ILE A 181 -4.283 -4.518 -23.005 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.973 -5.520 -22.907 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -2.766 -4.186 -25.524 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -2.579 -3.345 -23.998 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.107 -6.698 -24.872 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.335 -7.641 -23.994 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.761 -6.825 -25.517 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -0.569 -3.078 -25.398 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -0.178 -3.990 -23.921 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -0.368 -4.844 -25.471 1.00 0.00 H new ATOM 232 N ASP A 182 -5.522 -4.566 -25.131 1.00 0.00 N ATOM 233 CA ASP A 182 -6.532 -4.495 -26.197 1.00 0.00 C ATOM 234 C ASP A 182 -6.128 -3.532 -27.338 1.00 0.00 C ATOM 235 O ASP A 182 -6.701 -2.445 -27.475 1.00 0.00 O ATOM 236 CB ASP A 182 -7.905 -4.174 -25.564 1.00 0.00 C ATOM 237 CG ASP A 182 -8.037 -2.779 -24.921 1.00 0.00 C ATOM 238 OD1 ASP A 182 -7.106 -2.351 -24.195 1.00 0.00 O ATOM 239 OD2 ASP A 182 -9.100 -2.143 -25.122 1.00 0.00 O ATOM 0 H ASP A 182 -5.220 -3.643 -24.820 1.00 0.00 H new ATOM 0 HA ASP A 182 -6.606 -5.465 -26.689 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -8.671 -4.273 -26.333 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -8.118 -4.925 -24.804 1.00 0.00 H new ATOM 244 N PRO A 183 -5.125 -3.900 -28.160 1.00 0.00 N ATOM 245 CA PRO A 183 -4.655 -3.064 -29.264 1.00 0.00 C ATOM 246 C PRO A 183 -5.659 -3.024 -30.428 1.00 0.00 C ATOM 247 O PRO A 183 -6.421 -3.967 -30.658 1.00 0.00 O ATOM 248 CB PRO A 183 -3.327 -3.696 -29.699 1.00 0.00 C ATOM 249 CG PRO A 183 -3.522 -5.178 -29.382 1.00 0.00 C ATOM 250 CD PRO A 183 -4.374 -5.150 -28.115 1.00 0.00 C ATOM 0 HA PRO A 183 -4.537 -2.026 -28.954 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -3.133 -3.534 -30.759 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -2.483 -3.275 -29.152 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -4.025 -5.702 -30.195 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -2.571 -5.684 -29.217 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -5.046 -6.007 -28.078 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.748 -5.197 -27.224 1.00 0.00 H new ATOM 258 N ASP A 184 -5.625 -1.941 -31.207 1.00 0.00 N ATOM 259 CA ASP A 184 -6.438 -1.792 -32.420 1.00 0.00 C ATOM 260 C ASP A 184 -5.723 -2.476 -33.600 1.00 0.00 C ATOM 261 O ASP A 184 -4.513 -2.291 -33.782 1.00 0.00 O ATOM 262 CB ASP A 184 -6.675 -0.306 -32.722 1.00 0.00 C ATOM 263 CG ASP A 184 -7.517 0.371 -31.635 1.00 0.00 C ATOM 264 OD1 ASP A 184 -8.738 0.090 -31.581 1.00 0.00 O ATOM 265 OD2 ASP A 184 -6.941 1.171 -30.859 1.00 0.00 O ATOM 0 H ASP A 184 -5.029 -1.136 -31.014 1.00 0.00 H new ATOM 0 HA ASP A 184 -7.407 -2.266 -32.267 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -5.716 0.204 -32.809 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -7.177 -0.207 -33.684 1.00 0.00 H new ATOM 270 N LYS A 185 -6.449 -3.265 -34.405 1.00 0.00 N ATOM 271 CA LYS A 185 -5.904 -4.018 -35.545 1.00 0.00 C ATOM 272 C LYS A 185 -6.850 -3.990 -36.748 1.00 0.00 C ATOM 273 O LYS A 185 -8.042 -3.720 -36.601 1.00 0.00 O ATOM 274 CB LYS A 185 -5.635 -5.468 -35.103 1.00 0.00 C ATOM 275 CG LYS A 185 -4.454 -5.607 -34.129 1.00 0.00 C ATOM 276 CD LYS A 185 -4.149 -7.088 -33.852 1.00 0.00 C ATOM 277 CE LYS A 185 -3.032 -7.271 -32.818 1.00 0.00 C ATOM 278 NZ LYS A 185 -1.732 -6.768 -33.311 1.00 0.00 N ATOM 0 H LYS A 185 -7.452 -3.401 -34.280 1.00 0.00 H new ATOM 0 HA LYS A 185 -4.973 -3.547 -35.861 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -6.533 -5.867 -34.631 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -5.441 -6.078 -35.985 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -3.572 -5.121 -34.547 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -4.686 -5.097 -33.194 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -5.053 -7.582 -33.497 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -3.863 -7.577 -34.783 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -3.299 -6.747 -31.900 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -2.940 -8.328 -32.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -0.995 -6.957 -32.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -1.488 -7.249 -34.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -1.797 -5.744 -33.478 1.00 0.00 H new ATOM 292 N PHE A 186 -6.318 -4.289 -37.932 1.00 0.00 N ATOM 293 CA PHE A 186 -7.053 -4.302 -39.200 1.00 0.00 C ATOM 294 C PHE A 186 -6.540 -5.406 -40.140 1.00 0.00 C ATOM 295 O PHE A 186 -5.335 -5.505 -40.393 1.00 0.00 O ATOM 296 CB PHE A 186 -6.921 -2.914 -39.855 1.00 0.00 C ATOM 297 CG PHE A 186 -7.548 -2.790 -41.235 1.00 0.00 C ATOM 298 CD1 PHE A 186 -8.947 -2.842 -41.379 1.00 0.00 C ATOM 299 CD2 PHE A 186 -6.740 -2.614 -42.375 1.00 0.00 C ATOM 300 CE1 PHE A 186 -9.536 -2.753 -42.652 1.00 0.00 C ATOM 301 CE2 PHE A 186 -7.330 -2.490 -43.646 1.00 0.00 C ATOM 302 CZ PHE A 186 -8.727 -2.571 -43.787 1.00 0.00 C ATOM 0 H PHE A 186 -5.335 -4.537 -38.041 1.00 0.00 H new ATOM 0 HA PHE A 186 -8.103 -4.521 -39.005 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -7.378 -2.174 -39.198 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -5.863 -2.664 -39.930 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -9.572 -2.951 -40.505 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -5.666 -2.574 -42.273 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -10.608 -2.824 -42.758 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -6.709 -2.332 -44.515 1.00 0.00 H new ATOM 0 HZ PHE A 186 -9.177 -2.494 -44.766 1.00 0.00 H new ATOM 312 N CYS A 187 -7.464 -6.207 -40.674 1.00 0.00 N ATOM 313 CA CYS A 187 -7.218 -7.283 -41.630 1.00 0.00 C ATOM 314 C CYS A 187 -7.528 -6.746 -43.041 1.00 0.00 C ATOM 315 O CYS A 187 -8.676 -6.734 -43.496 1.00 0.00 O ATOM 316 CB CYS A 187 -8.063 -8.510 -41.237 1.00 0.00 C ATOM 317 SG CYS A 187 -7.470 -10.017 -42.072 1.00 0.00 S ATOM 0 H CYS A 187 -8.452 -6.117 -40.438 1.00 0.00 H new ATOM 0 HA CYS A 187 -6.178 -7.610 -41.624 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.023 -8.651 -40.157 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -9.107 -8.334 -41.497 1.00 0.00 H new ATOM 322 N SER A 188 -6.502 -6.223 -43.722 1.00 0.00 N ATOM 323 CA SER A 188 -6.634 -5.609 -45.056 1.00 0.00 C ATOM 324 C SER A 188 -7.179 -6.573 -46.123 1.00 0.00 C ATOM 325 O SER A 188 -7.926 -6.169 -47.019 1.00 0.00 O ATOM 326 CB SER A 188 -5.276 -5.038 -45.483 1.00 0.00 C ATOM 327 OG SER A 188 -5.403 -4.232 -46.643 1.00 0.00 O ATOM 0 H SER A 188 -5.547 -6.212 -43.363 1.00 0.00 H new ATOM 0 HA SER A 188 -7.372 -4.811 -44.976 1.00 0.00 H new ATOM 0 HB2 SER A 188 -4.855 -4.447 -44.670 1.00 0.00 H new ATOM 0 HB3 SER A 188 -4.580 -5.854 -45.678 1.00 0.00 H new ATOM 0 HG SER A 188 -4.524 -3.879 -46.894 1.00 0.00 H new ATOM 333 N LEU A 189 -6.849 -7.864 -46.007 1.00 0.00 N ATOM 334 CA LEU A 189 -7.284 -8.932 -46.914 1.00 0.00 C ATOM 335 C LEU A 189 -8.792 -9.263 -46.781 1.00 0.00 C ATOM 336 O LEU A 189 -9.372 -9.824 -47.717 1.00 0.00 O ATOM 337 CB LEU A 189 -6.435 -10.197 -46.653 1.00 0.00 C ATOM 338 CG LEU A 189 -4.938 -10.176 -47.043 1.00 0.00 C ATOM 339 CD1 LEU A 189 -4.731 -9.984 -48.545 1.00 0.00 C ATOM 340 CD2 LEU A 189 -4.087 -9.138 -46.307 1.00 0.00 C ATOM 0 H LEU A 189 -6.252 -8.206 -45.254 1.00 0.00 H new ATOM 0 HA LEU A 189 -7.135 -8.577 -47.934 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -6.497 -10.424 -45.589 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -6.904 -11.026 -47.183 1.00 0.00 H new ATOM 0 HG LEU A 189 -4.593 -11.162 -46.731 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.664 -9.976 -48.767 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -5.208 -10.801 -49.085 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.173 -9.037 -48.855 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.055 -9.204 -46.651 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -4.474 -8.140 -46.510 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -4.125 -9.330 -45.235 1.00 0.00 H new ATOM 352 N CYS A 190 -9.412 -8.903 -45.650 1.00 0.00 N ATOM 353 CA CYS A 190 -10.811 -9.180 -45.292 1.00 0.00 C ATOM 354 C CYS A 190 -11.665 -7.912 -45.052 1.00 0.00 C ATOM 355 O CYS A 190 -12.879 -8.016 -44.848 1.00 0.00 O ATOM 356 CB CYS A 190 -10.793 -10.027 -44.003 1.00 0.00 C ATOM 357 SG CYS A 190 -9.933 -11.620 -44.197 1.00 0.00 S ATOM 0 H CYS A 190 -8.926 -8.382 -44.920 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.274 -9.696 -46.133 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -10.311 -9.457 -43.209 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.819 -10.213 -43.685 1.00 0.00 H new ATOM 362 N HIS A 191 -11.042 -6.725 -45.044 1.00 0.00 N ATOM 363 CA HIS A 191 -11.652 -5.422 -44.735 1.00 0.00 C ATOM 364 C HIS A 191 -12.425 -5.455 -43.397 1.00 0.00 C ATOM 365 O HIS A 191 -13.611 -5.121 -43.325 1.00 0.00 O ATOM 366 CB HIS A 191 -12.446 -4.902 -45.948 1.00 0.00 C ATOM 367 CG HIS A 191 -12.722 -3.420 -45.882 1.00 0.00 C ATOM 368 ND1 HIS A 191 -11.845 -2.418 -46.254 1.00 0.00 N ATOM 369 CD2 HIS A 191 -13.871 -2.823 -45.441 1.00 0.00 C ATOM 370 CE1 HIS A 191 -12.448 -1.232 -46.040 1.00 0.00 C ATOM 371 NE2 HIS A 191 -13.681 -1.458 -45.545 1.00 0.00 N ATOM 0 H HIS A 191 -10.049 -6.643 -45.264 1.00 0.00 H new ATOM 0 HA HIS A 191 -10.870 -4.682 -44.564 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -11.891 -5.122 -46.860 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -13.392 -5.439 -46.013 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -14.758 -3.323 -45.080 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -12.015 -0.262 -46.233 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -14.360 -0.741 -45.290 1.00 0.00 H new ATOM 380 N ALA A 192 -11.739 -5.888 -42.335 1.00 0.00 N ATOM 381 CA ALA A 192 -12.270 -6.048 -40.976 1.00 0.00 C ATOM 382 C ALA A 192 -11.355 -5.375 -39.934 1.00 0.00 C ATOM 383 O ALA A 192 -10.133 -5.408 -40.073 1.00 0.00 O ATOM 384 CB ALA A 192 -12.433 -7.551 -40.702 1.00 0.00 C ATOM 0 H ALA A 192 -10.755 -6.148 -42.401 1.00 0.00 H new ATOM 0 HA ALA A 192 -13.239 -5.555 -40.894 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -12.827 -7.697 -39.696 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -13.123 -7.980 -41.428 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -11.464 -8.044 -40.787 1.00 0.00 H new ATOM 390 N THR A 193 -11.937 -4.776 -38.888 1.00 0.00 N ATOM 391 CA THR A 193 -11.220 -4.032 -37.826 1.00 0.00 C ATOM 392 C THR A 193 -11.533 -4.613 -36.443 1.00 0.00 C ATOM 393 O THR A 193 -12.661 -5.053 -36.205 1.00 0.00 O ATOM 394 CB THR A 193 -11.613 -2.538 -37.848 1.00 0.00 C ATOM 395 OG1 THR A 193 -11.606 -2.017 -39.163 1.00 0.00 O ATOM 396 CG2 THR A 193 -10.663 -1.648 -37.044 1.00 0.00 C ATOM 0 H THR A 193 -12.947 -4.791 -38.746 1.00 0.00 H new ATOM 0 HA THR A 193 -10.152 -4.129 -38.020 1.00 0.00 H new ATOM 0 HB THR A 193 -12.609 -2.519 -37.407 1.00 0.00 H new ATOM 0 HG1 THR A 193 -11.860 -1.071 -39.141 1.00 0.00 H new ATOM 0 HG21 THR A 193 -10.998 -0.612 -37.102 1.00 0.00 H new ATOM 0 HG22 THR A 193 -10.657 -1.969 -36.002 1.00 0.00 H new ATOM 0 HG23 THR A 193 -9.656 -1.727 -37.454 1.00 0.00 H new ATOM 404 N PHE A 194 -10.559 -4.604 -35.523 1.00 0.00 N ATOM 405 CA PHE A 194 -10.691 -5.165 -34.169 1.00 0.00 C ATOM 406 C PHE A 194 -10.121 -4.214 -33.109 1.00 0.00 C ATOM 407 O PHE A 194 -9.232 -3.411 -33.400 1.00 0.00 O ATOM 408 CB PHE A 194 -9.981 -6.535 -34.092 1.00 0.00 C ATOM 409 CG PHE A 194 -10.048 -7.353 -35.369 1.00 0.00 C ATOM 410 CD1 PHE A 194 -11.277 -7.872 -35.819 1.00 0.00 C ATOM 411 CD2 PHE A 194 -8.898 -7.491 -36.170 1.00 0.00 C ATOM 412 CE1 PHE A 194 -11.362 -8.480 -37.084 1.00 0.00 C ATOM 413 CE2 PHE A 194 -8.982 -8.105 -37.428 1.00 0.00 C ATOM 414 CZ PHE A 194 -10.217 -8.581 -37.894 1.00 0.00 C ATOM 0 H PHE A 194 -9.640 -4.199 -35.701 1.00 0.00 H new ATOM 0 HA PHE A 194 -11.753 -5.297 -33.962 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -8.934 -6.373 -33.834 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -10.423 -7.114 -33.281 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -12.154 -7.803 -35.193 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -7.947 -7.122 -35.814 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -12.307 -8.869 -37.434 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -8.097 -8.211 -38.038 1.00 0.00 H new ATOM 0 HZ PHE A 194 -10.288 -9.025 -38.876 1.00 0.00 H new ATOM 424 N ASN A 195 -10.625 -4.318 -31.876 1.00 0.00 N ATOM 425 CA ASN A 195 -10.220 -3.486 -30.733 1.00 0.00 C ATOM 426 C ASN A 195 -10.168 -4.267 -29.399 1.00 0.00 C ATOM 427 O ASN A 195 -10.310 -3.686 -28.323 1.00 0.00 O ATOM 428 CB ASN A 195 -11.127 -2.238 -30.687 1.00 0.00 C ATOM 429 CG ASN A 195 -12.601 -2.544 -30.462 1.00 0.00 C ATOM 430 OD1 ASN A 195 -13.422 -2.474 -31.365 1.00 0.00 O ATOM 431 ND2 ASN A 195 -12.983 -2.903 -29.259 1.00 0.00 N ATOM 0 H ASN A 195 -11.345 -5.000 -31.636 1.00 0.00 H new ATOM 0 HA ASN A 195 -9.190 -3.160 -30.876 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -10.779 -1.579 -29.891 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -11.020 -1.691 -31.624 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -13.963 -3.123 -29.079 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -12.300 -2.962 -28.504 1.00 0.00 H new ATOM 438 N ASP A 196 -9.976 -5.588 -29.459 1.00 0.00 N ATOM 439 CA ASP A 196 -9.863 -6.502 -28.312 1.00 0.00 C ATOM 440 C ASP A 196 -8.966 -7.702 -28.681 1.00 0.00 C ATOM 441 O ASP A 196 -8.896 -8.065 -29.861 1.00 0.00 O ATOM 442 CB ASP A 196 -11.260 -6.979 -27.872 1.00 0.00 C ATOM 443 CG ASP A 196 -11.947 -5.987 -26.927 1.00 0.00 C ATOM 444 OD1 ASP A 196 -11.436 -5.817 -25.795 1.00 0.00 O ATOM 445 OD2 ASP A 196 -12.996 -5.426 -27.323 1.00 0.00 O ATOM 0 H ASP A 196 -9.891 -6.076 -30.351 1.00 0.00 H new ATOM 0 HA ASP A 196 -9.405 -5.971 -27.477 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -11.884 -7.128 -28.753 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -11.171 -7.946 -27.377 1.00 0.00 H new ATOM 450 N PRO A 197 -8.281 -8.336 -27.705 1.00 0.00 N ATOM 451 CA PRO A 197 -7.356 -9.438 -27.978 1.00 0.00 C ATOM 452 C PRO A 197 -8.050 -10.665 -28.571 1.00 0.00 C ATOM 453 O PRO A 197 -7.635 -11.200 -29.599 1.00 0.00 O ATOM 454 CB PRO A 197 -6.709 -9.788 -26.626 1.00 0.00 C ATOM 455 CG PRO A 197 -7.646 -9.198 -25.572 1.00 0.00 C ATOM 456 CD PRO A 197 -8.310 -8.023 -26.281 1.00 0.00 C ATOM 0 HA PRO A 197 -6.623 -9.132 -28.724 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -6.608 -10.867 -26.505 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -5.708 -9.363 -26.546 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -8.382 -9.930 -25.238 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -7.097 -8.872 -24.688 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.334 -7.887 -25.933 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -7.778 -7.094 -26.076 1.00 0.00 H new ATOM 464 N VAL A 198 -9.124 -11.109 -27.918 1.00 0.00 N ATOM 465 CA VAL A 198 -9.898 -12.288 -28.325 1.00 0.00 C ATOM 466 C VAL A 198 -10.637 -12.021 -29.637 1.00 0.00 C ATOM 467 O VAL A 198 -10.665 -12.892 -30.498 1.00 0.00 O ATOM 468 CB VAL A 198 -10.828 -12.727 -27.179 1.00 0.00 C ATOM 469 CG1 VAL A 198 -11.687 -13.942 -27.548 1.00 0.00 C ATOM 470 CG2 VAL A 198 -9.980 -13.100 -25.949 1.00 0.00 C ATOM 0 H VAL A 198 -9.488 -10.656 -27.080 1.00 0.00 H new ATOM 0 HA VAL A 198 -9.224 -13.122 -28.522 1.00 0.00 H new ATOM 0 HB VAL A 198 -11.493 -11.889 -26.971 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -12.323 -14.208 -26.704 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -12.310 -13.699 -28.409 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -11.040 -14.784 -27.794 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -10.636 -13.411 -25.136 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -9.307 -13.918 -26.206 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -9.396 -12.235 -25.634 1.00 0.00 H new ATOM 480 N MET A 199 -11.161 -10.807 -29.843 1.00 0.00 N ATOM 481 CA MET A 199 -11.814 -10.401 -31.098 1.00 0.00 C ATOM 482 C MET A 199 -10.850 -10.528 -32.289 1.00 0.00 C ATOM 483 O MET A 199 -11.205 -11.115 -33.313 1.00 0.00 O ATOM 484 CB MET A 199 -12.311 -8.956 -30.937 1.00 0.00 C ATOM 485 CG MET A 199 -13.097 -8.422 -32.139 1.00 0.00 C ATOM 486 SD MET A 199 -13.403 -6.632 -32.081 1.00 0.00 S ATOM 487 CE MET A 199 -14.545 -6.512 -30.676 1.00 0.00 C ATOM 0 H MET A 199 -11.145 -10.070 -29.138 1.00 0.00 H new ATOM 0 HA MET A 199 -12.658 -11.059 -31.305 1.00 0.00 H new ATOM 0 HB2 MET A 199 -12.942 -8.898 -30.050 1.00 0.00 H new ATOM 0 HB3 MET A 199 -11.453 -8.307 -30.761 1.00 0.00 H new ATOM 0 HG2 MET A 199 -12.550 -8.658 -33.052 1.00 0.00 H new ATOM 0 HG3 MET A 199 -14.053 -8.943 -32.196 1.00 0.00 H new ATOM 0 HE1 MET A 199 -14.863 -5.477 -30.553 1.00 0.00 H new ATOM 0 HE2 MET A 199 -15.417 -7.140 -30.861 1.00 0.00 H new ATOM 0 HE3 MET A 199 -14.042 -6.847 -29.769 1.00 0.00 H new ATOM 497 N ALA A 200 -9.619 -10.025 -32.137 1.00 0.00 N ATOM 498 CA ALA A 200 -8.573 -10.136 -33.152 1.00 0.00 C ATOM 499 C ALA A 200 -8.224 -11.606 -33.437 1.00 0.00 C ATOM 500 O ALA A 200 -8.285 -12.057 -34.582 1.00 0.00 O ATOM 501 CB ALA A 200 -7.334 -9.377 -32.659 1.00 0.00 C ATOM 0 H ALA A 200 -9.322 -9.526 -31.298 1.00 0.00 H new ATOM 0 HA ALA A 200 -8.932 -9.703 -34.086 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -6.542 -9.449 -33.405 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -7.589 -8.329 -32.500 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -6.990 -9.813 -31.721 1.00 0.00 H new ATOM 507 N GLN A 201 -7.880 -12.365 -32.389 1.00 0.00 N ATOM 508 CA GLN A 201 -7.495 -13.771 -32.521 1.00 0.00 C ATOM 509 C GLN A 201 -8.603 -14.650 -33.127 1.00 0.00 C ATOM 510 O GLN A 201 -8.310 -15.505 -33.963 1.00 0.00 O ATOM 511 CB GLN A 201 -7.042 -14.331 -31.161 1.00 0.00 C ATOM 512 CG GLN A 201 -5.690 -13.764 -30.690 1.00 0.00 C ATOM 513 CD GLN A 201 -4.519 -14.125 -31.608 1.00 0.00 C ATOM 514 OE1 GLN A 201 -4.394 -15.233 -32.114 1.00 0.00 O ATOM 515 NE2 GLN A 201 -3.614 -13.205 -31.869 1.00 0.00 N ATOM 0 H GLN A 201 -7.861 -12.021 -31.429 1.00 0.00 H new ATOM 0 HA GLN A 201 -6.662 -13.802 -33.223 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -7.802 -14.108 -30.412 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -6.969 -15.416 -31.229 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -5.765 -12.679 -30.621 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -5.481 -14.133 -29.686 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -3.699 -12.275 -31.458 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -2.828 -13.422 -32.482 1.00 0.00 H new ATOM 524 N GLN A 202 -9.871 -14.430 -32.751 1.00 0.00 N ATOM 525 CA GLN A 202 -11.025 -15.169 -33.277 1.00 0.00 C ATOM 526 C GLN A 202 -11.190 -14.969 -34.788 1.00 0.00 C ATOM 527 O GLN A 202 -11.497 -15.931 -35.496 1.00 0.00 O ATOM 528 CB GLN A 202 -12.312 -14.757 -32.536 1.00 0.00 C ATOM 529 CG GLN A 202 -12.451 -15.423 -31.155 1.00 0.00 C ATOM 530 CD GLN A 202 -12.781 -16.913 -31.249 1.00 0.00 C ATOM 531 OE1 GLN A 202 -11.914 -17.777 -31.218 1.00 0.00 O ATOM 532 NE2 GLN A 202 -14.041 -17.277 -31.371 1.00 0.00 N ATOM 0 H GLN A 202 -10.126 -13.722 -32.062 1.00 0.00 H new ATOM 0 HA GLN A 202 -10.841 -16.229 -33.105 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -12.323 -13.674 -32.414 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -13.176 -15.018 -33.147 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -11.522 -15.295 -30.599 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -13.233 -14.917 -30.589 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -14.776 -16.570 -31.398 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -14.282 -18.266 -31.438 1.00 0.00 H new ATOM 541 N HIS A 203 -10.948 -13.756 -35.303 1.00 0.00 N ATOM 542 CA HIS A 203 -11.014 -13.503 -36.745 1.00 0.00 C ATOM 543 C HIS A 203 -9.950 -14.327 -37.485 1.00 0.00 C ATOM 544 O HIS A 203 -10.289 -15.089 -38.389 1.00 0.00 O ATOM 545 CB HIS A 203 -10.862 -12.004 -37.051 1.00 0.00 C ATOM 546 CG HIS A 203 -10.980 -11.703 -38.530 1.00 0.00 C ATOM 547 ND1 HIS A 203 -12.135 -11.383 -39.212 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.968 -11.734 -39.456 1.00 0.00 C ATOM 549 CE1 HIS A 203 -11.825 -11.244 -40.514 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.516 -11.466 -40.717 1.00 0.00 N ATOM 0 H HIS A 203 -10.706 -12.938 -34.743 1.00 0.00 H new ATOM 0 HA HIS A 203 -11.996 -13.815 -37.101 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -11.624 -11.446 -36.507 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -9.894 -11.658 -36.688 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.062 -11.271 -38.801 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.927 -11.931 -39.248 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -12.532 -10.989 -41.290 1.00 0.00 H new ATOM 558 N TYR A 204 -8.679 -14.220 -37.079 1.00 0.00 N ATOM 559 CA TYR A 204 -7.532 -14.905 -37.699 1.00 0.00 C ATOM 560 C TYR A 204 -7.595 -16.448 -37.765 1.00 0.00 C ATOM 561 O TYR A 204 -6.764 -17.052 -38.447 1.00 0.00 O ATOM 562 CB TYR A 204 -6.231 -14.440 -37.019 1.00 0.00 C ATOM 563 CG TYR A 204 -5.989 -12.935 -36.996 1.00 0.00 C ATOM 564 CD1 TYR A 204 -6.305 -12.137 -38.116 1.00 0.00 C ATOM 565 CD2 TYR A 204 -5.426 -12.333 -35.852 1.00 0.00 C ATOM 566 CE1 TYR A 204 -6.106 -10.745 -38.078 1.00 0.00 C ATOM 567 CE2 TYR A 204 -5.212 -10.940 -35.814 1.00 0.00 C ATOM 568 CZ TYR A 204 -5.560 -10.140 -36.924 1.00 0.00 C ATOM 569 OH TYR A 204 -5.345 -8.796 -36.883 1.00 0.00 O ATOM 0 H TYR A 204 -8.409 -13.637 -36.286 1.00 0.00 H new ATOM 0 HA TYR A 204 -7.564 -14.609 -38.748 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -6.232 -14.803 -35.991 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -5.390 -14.915 -37.525 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -6.702 -12.598 -39.008 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -5.158 -12.942 -35.001 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.371 -10.138 -38.931 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -4.781 -10.484 -34.935 1.00 0.00 H new ATOM 0 HH TYR A 204 -5.735 -8.427 -36.063 1.00 0.00 H new ATOM 579 N VAL A 205 -8.563 -17.096 -37.102 1.00 0.00 N ATOM 580 CA VAL A 205 -8.753 -18.564 -37.114 1.00 0.00 C ATOM 581 C VAL A 205 -10.163 -19.004 -37.542 1.00 0.00 C ATOM 582 O VAL A 205 -10.416 -20.204 -37.668 1.00 0.00 O ATOM 583 CB VAL A 205 -8.369 -19.209 -35.762 1.00 0.00 C ATOM 584 CG1 VAL A 205 -6.936 -18.852 -35.345 1.00 0.00 C ATOM 585 CG2 VAL A 205 -9.329 -18.838 -34.623 1.00 0.00 C ATOM 0 H VAL A 205 -9.253 -16.610 -36.529 1.00 0.00 H new ATOM 0 HA VAL A 205 -8.068 -18.930 -37.879 1.00 0.00 H new ATOM 0 HB VAL A 205 -8.442 -20.284 -35.930 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -6.706 -19.325 -34.390 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.237 -19.207 -36.103 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -6.845 -17.770 -35.245 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -9.005 -19.322 -33.702 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -9.329 -17.757 -34.484 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -10.336 -19.171 -34.873 1.00 0.00 H new ATOM 595 N GLY A 206 -11.084 -18.063 -37.782 1.00 0.00 N ATOM 596 CA GLY A 206 -12.466 -18.349 -38.182 1.00 0.00 C ATOM 597 C GLY A 206 -12.635 -18.580 -39.687 1.00 0.00 C ATOM 598 O GLY A 206 -11.881 -18.046 -40.505 1.00 0.00 O ATOM 0 H GLY A 206 -10.886 -17.066 -37.702 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -12.815 -19.232 -37.646 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -13.103 -17.519 -37.877 1.00 0.00 H new ATOM 602 N LYS A 207 -13.651 -19.368 -40.068 1.00 0.00 N ATOM 603 CA LYS A 207 -13.965 -19.719 -41.471 1.00 0.00 C ATOM 604 C LYS A 207 -14.076 -18.513 -42.414 1.00 0.00 C ATOM 605 O LYS A 207 -13.645 -18.600 -43.562 1.00 0.00 O ATOM 606 CB LYS A 207 -15.208 -20.630 -41.529 1.00 0.00 C ATOM 607 CG LYS A 207 -16.511 -19.965 -41.049 1.00 0.00 C ATOM 608 CD LYS A 207 -17.670 -20.970 -41.025 1.00 0.00 C ATOM 609 CE LYS A 207 -18.946 -20.291 -40.516 1.00 0.00 C ATOM 610 NZ LYS A 207 -20.072 -21.246 -40.456 1.00 0.00 N ATOM 0 H LYS A 207 -14.294 -19.791 -39.399 1.00 0.00 H new ATOM 0 HA LYS A 207 -13.108 -20.275 -41.852 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -15.346 -20.970 -42.555 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.022 -21.516 -40.922 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -16.365 -19.550 -40.052 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -16.761 -19.133 -41.707 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -17.836 -21.370 -42.025 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -17.417 -21.814 -40.383 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -18.768 -19.872 -39.526 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -19.205 -19.460 -41.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -20.922 -20.759 -40.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -20.255 -21.627 -41.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -19.832 -22.026 -39.811 1.00 0.00 H new ATOM 624 N LYS A 208 -14.598 -17.379 -41.928 1.00 0.00 N ATOM 625 CA LYS A 208 -14.731 -16.123 -42.690 1.00 0.00 C ATOM 626 C LYS A 208 -13.374 -15.635 -43.206 1.00 0.00 C ATOM 627 O LYS A 208 -13.247 -15.354 -44.395 1.00 0.00 O ATOM 628 CB LYS A 208 -15.464 -15.088 -41.812 1.00 0.00 C ATOM 629 CG LYS A 208 -15.939 -13.826 -42.554 1.00 0.00 C ATOM 630 CD LYS A 208 -14.897 -12.700 -42.625 1.00 0.00 C ATOM 631 CE LYS A 208 -15.531 -11.455 -43.256 1.00 0.00 C ATOM 632 NZ LYS A 208 -14.572 -10.333 -43.317 1.00 0.00 N ATOM 0 H LYS A 208 -14.948 -17.304 -40.973 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.330 -16.288 -43.586 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -16.328 -15.569 -41.354 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -14.801 -14.787 -41.001 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -16.226 -14.103 -43.568 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -16.834 -13.445 -42.062 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -14.529 -12.467 -41.626 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -14.038 -13.022 -43.214 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -15.880 -11.692 -44.261 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -16.405 -11.157 -42.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -15.089 -9.441 -43.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -14.034 -10.288 -42.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -13.917 -10.479 -44.111 1.00 0.00 H new ATOM 646 N HIS A 209 -12.353 -15.601 -42.345 1.00 0.00 N ATOM 647 CA HIS A 209 -10.981 -15.214 -42.708 1.00 0.00 C ATOM 648 C HIS A 209 -10.380 -16.173 -43.741 1.00 0.00 C ATOM 649 O HIS A 209 -9.829 -15.726 -44.743 1.00 0.00 O ATOM 650 CB HIS A 209 -10.127 -15.145 -41.436 1.00 0.00 C ATOM 651 CG HIS A 209 -8.667 -14.800 -41.644 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.148 -13.526 -41.904 1.00 0.00 N ATOM 653 CD2 HIS A 209 -7.629 -15.684 -41.546 1.00 0.00 C ATOM 654 CE1 HIS A 209 -6.816 -13.677 -41.975 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.475 -14.962 -41.763 1.00 0.00 N ATOM 0 H HIS A 209 -12.455 -15.845 -41.360 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.000 -14.230 -43.177 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -10.565 -14.405 -40.766 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.185 -16.108 -40.928 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -7.699 -16.742 -41.339 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.116 -12.879 -42.174 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.526 -15.337 -41.763 1.00 0.00 H new ATOM 663 N ARG A 210 -10.534 -17.495 -43.555 1.00 0.00 N ATOM 664 CA ARG A 210 -10.043 -18.505 -44.519 1.00 0.00 C ATOM 665 C ARG A 210 -10.675 -18.314 -45.906 1.00 0.00 C ATOM 666 O ARG A 210 -9.961 -18.289 -46.912 1.00 0.00 O ATOM 667 CB ARG A 210 -10.284 -19.940 -44.005 1.00 0.00 C ATOM 668 CG ARG A 210 -9.270 -20.440 -42.960 1.00 0.00 C ATOM 669 CD ARG A 210 -9.416 -19.784 -41.579 1.00 0.00 C ATOM 670 NE ARG A 210 -8.526 -20.392 -40.573 1.00 0.00 N ATOM 671 CZ ARG A 210 -7.231 -20.171 -40.416 1.00 0.00 C ATOM 672 NH1 ARG A 210 -6.543 -19.386 -41.204 1.00 0.00 N ATOM 673 NH2 ARG A 210 -6.583 -20.755 -39.446 1.00 0.00 N ATOM 0 H ARG A 210 -10.998 -17.895 -42.740 1.00 0.00 H new ATOM 0 HA ARG A 210 -8.967 -18.358 -44.616 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.283 -19.991 -43.572 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -10.270 -20.621 -44.856 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -9.379 -21.519 -42.851 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -8.262 -20.258 -43.332 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -9.195 -18.720 -41.660 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -10.450 -19.871 -41.246 1.00 0.00 H new ATOM 0 HE ARG A 210 -8.955 -21.055 -39.928 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -7.004 -18.912 -41.981 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -5.546 -19.248 -41.042 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -7.075 -21.382 -38.809 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -5.585 -20.585 -39.325 1.00 0.00 H new ATOM 687 N LYS A 211 -12.002 -18.149 -45.966 1.00 0.00 N ATOM 688 CA LYS A 211 -12.765 -17.937 -47.211 1.00 0.00 C ATOM 689 C LYS A 211 -12.401 -16.622 -47.907 1.00 0.00 C ATOM 690 O LYS A 211 -12.102 -16.630 -49.102 1.00 0.00 O ATOM 691 CB LYS A 211 -14.273 -17.999 -46.906 1.00 0.00 C ATOM 692 CG LYS A 211 -14.732 -19.431 -46.585 1.00 0.00 C ATOM 693 CD LYS A 211 -16.190 -19.450 -46.110 1.00 0.00 C ATOM 694 CE LYS A 211 -16.617 -20.883 -45.779 1.00 0.00 C ATOM 695 NZ LYS A 211 -18.020 -20.928 -45.317 1.00 0.00 N ATOM 0 H LYS A 211 -12.592 -18.159 -45.134 1.00 0.00 H new ATOM 0 HA LYS A 211 -12.500 -18.734 -47.905 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.500 -17.347 -46.063 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -14.833 -17.621 -47.761 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -14.627 -20.057 -47.471 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -14.090 -19.858 -45.815 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -16.302 -18.816 -45.230 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -16.838 -19.039 -46.884 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -16.501 -21.513 -46.661 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -15.964 -21.291 -45.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -18.283 -21.911 -45.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -18.123 -20.345 -44.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -18.643 -20.560 -46.064 1.00 0.00 H new ATOM 709 N GLN A 212 -12.389 -15.502 -47.181 1.00 0.00 N ATOM 710 CA GLN A 212 -12.037 -14.192 -47.742 1.00 0.00 C ATOM 711 C GLN A 212 -10.569 -14.128 -48.190 1.00 0.00 C ATOM 712 O GLN A 212 -10.301 -13.629 -49.281 1.00 0.00 O ATOM 713 CB GLN A 212 -12.352 -13.070 -46.741 1.00 0.00 C ATOM 714 CG GLN A 212 -13.855 -12.855 -46.488 1.00 0.00 C ATOM 715 CD GLN A 212 -14.650 -12.402 -47.713 1.00 0.00 C ATOM 716 OE1 GLN A 212 -14.152 -11.779 -48.641 1.00 0.00 O ATOM 717 NE2 GLN A 212 -15.930 -12.708 -47.772 1.00 0.00 N ATOM 0 H GLN A 212 -12.622 -15.476 -46.188 1.00 0.00 H new ATOM 0 HA GLN A 212 -12.650 -14.048 -48.632 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -11.864 -13.296 -45.793 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -11.920 -12.139 -47.108 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.284 -13.786 -46.117 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -13.974 -12.112 -45.699 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -16.366 -13.227 -47.010 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -16.485 -12.426 -48.580 1.00 0.00 H new ATOM 726 N GLU A 213 -9.623 -14.680 -47.420 1.00 0.00 N ATOM 727 CA GLU A 213 -8.208 -14.754 -47.814 1.00 0.00 C ATOM 728 C GLU A 213 -8.061 -15.547 -49.122 1.00 0.00 C ATOM 729 O GLU A 213 -7.364 -15.108 -50.036 1.00 0.00 O ATOM 730 CB GLU A 213 -7.382 -15.394 -46.681 1.00 0.00 C ATOM 731 CG GLU A 213 -5.878 -15.524 -46.966 1.00 0.00 C ATOM 732 CD GLU A 213 -5.174 -14.163 -47.010 1.00 0.00 C ATOM 733 OE1 GLU A 213 -5.214 -13.514 -48.082 1.00 0.00 O ATOM 734 OE2 GLU A 213 -4.583 -13.773 -45.975 1.00 0.00 O ATOM 0 H GLU A 213 -9.816 -15.089 -46.505 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.830 -13.746 -47.988 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -7.515 -14.801 -45.776 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -7.784 -16.386 -46.474 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -5.417 -16.144 -46.197 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -5.734 -16.036 -47.917 1.00 0.00 H new ATOM 741 N THR A 214 -8.759 -16.684 -49.245 1.00 0.00 N ATOM 742 CA THR A 214 -8.764 -17.495 -50.474 1.00 0.00 C ATOM 743 C THR A 214 -9.325 -16.693 -51.653 1.00 0.00 C ATOM 744 O THR A 214 -8.716 -16.680 -52.724 1.00 0.00 O ATOM 745 CB THR A 214 -9.552 -18.805 -50.283 1.00 0.00 C ATOM 746 OG1 THR A 214 -8.991 -19.564 -49.231 1.00 0.00 O ATOM 747 CG2 THR A 214 -9.513 -19.701 -51.523 1.00 0.00 C ATOM 0 H THR A 214 -9.336 -17.069 -48.497 1.00 0.00 H new ATOM 0 HA THR A 214 -7.731 -17.760 -50.698 1.00 0.00 H new ATOM 0 HB THR A 214 -10.579 -18.506 -50.074 1.00 0.00 H new ATOM 0 HG1 THR A 214 -9.274 -19.190 -48.371 1.00 0.00 H new ATOM 0 HG21 THR A 214 -10.084 -20.610 -51.333 1.00 0.00 H new ATOM 0 HG22 THR A 214 -9.948 -19.170 -52.370 1.00 0.00 H new ATOM 0 HG23 THR A 214 -8.480 -19.963 -51.751 1.00 0.00 H new ATOM 755 N LYS A 215 -10.448 -15.976 -51.474 1.00 0.00 N ATOM 756 CA LYS A 215 -11.040 -15.137 -52.530 1.00 0.00 C ATOM 757 C LYS A 215 -10.097 -14.007 -52.963 1.00 0.00 C ATOM 758 O LYS A 215 -9.918 -13.790 -54.160 1.00 0.00 O ATOM 759 CB LYS A 215 -12.408 -14.603 -52.068 1.00 0.00 C ATOM 760 CG LYS A 215 -13.168 -13.944 -53.234 1.00 0.00 C ATOM 761 CD LYS A 215 -14.593 -13.511 -52.864 1.00 0.00 C ATOM 762 CE LYS A 215 -14.600 -12.379 -51.833 1.00 0.00 C ATOM 763 NZ LYS A 215 -15.975 -11.907 -51.572 1.00 0.00 N ATOM 0 H LYS A 215 -10.969 -15.962 -50.597 1.00 0.00 H new ATOM 0 HA LYS A 215 -11.194 -15.755 -53.414 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -13.002 -15.420 -51.659 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -12.267 -13.879 -51.266 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -12.609 -13.073 -53.577 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -13.214 -14.643 -54.069 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -15.118 -13.186 -53.762 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -15.140 -14.366 -52.467 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -14.149 -12.726 -50.904 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -13.990 -11.551 -52.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.951 -11.140 -50.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.395 -11.555 -52.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.548 -12.694 -51.206 1.00 0.00 H new ATOM 777 N LEU A 216 -9.461 -13.317 -52.012 1.00 0.00 N ATOM 778 CA LEU A 216 -8.497 -12.241 -52.278 1.00 0.00 C ATOM 779 C LEU A 216 -7.274 -12.788 -53.039 1.00 0.00 C ATOM 780 O LEU A 216 -6.874 -12.223 -54.057 1.00 0.00 O ATOM 781 CB LEU A 216 -8.123 -11.570 -50.936 1.00 0.00 C ATOM 782 CG LEU A 216 -7.606 -10.118 -50.985 1.00 0.00 C ATOM 783 CD1 LEU A 216 -6.336 -9.929 -51.815 1.00 0.00 C ATOM 784 CD2 LEU A 216 -8.666 -9.140 -51.496 1.00 0.00 C ATOM 0 H LEU A 216 -9.603 -13.492 -51.017 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.938 -11.481 -52.923 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.002 -11.592 -50.292 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.360 -12.182 -50.455 1.00 0.00 H new ATOM 0 HG LEU A 216 -7.363 -9.898 -49.945 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -6.042 -8.880 -51.796 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -5.534 -10.538 -51.397 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -6.525 -10.234 -52.844 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -8.253 -8.131 -51.512 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -8.968 -9.424 -52.504 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -9.534 -9.167 -50.837 1.00 0.00 H new ATOM 796 N LYS A 217 -6.719 -13.926 -52.599 1.00 0.00 N ATOM 797 CA LYS A 217 -5.594 -14.611 -53.259 1.00 0.00 C ATOM 798 C LYS A 217 -5.937 -14.977 -54.709 1.00 0.00 C ATOM 799 O LYS A 217 -5.154 -14.689 -55.613 1.00 0.00 O ATOM 800 CB LYS A 217 -5.196 -15.833 -52.414 1.00 0.00 C ATOM 801 CG LYS A 217 -3.886 -16.482 -52.889 1.00 0.00 C ATOM 802 CD LYS A 217 -3.499 -17.708 -52.048 1.00 0.00 C ATOM 803 CE LYS A 217 -3.258 -17.366 -50.572 1.00 0.00 C ATOM 804 NZ LYS A 217 -2.834 -18.559 -49.810 1.00 0.00 N ATOM 0 H LYS A 217 -7.044 -14.406 -51.760 1.00 0.00 H new ATOM 0 HA LYS A 217 -4.736 -13.942 -53.321 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -5.090 -15.530 -51.372 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -5.997 -16.572 -52.451 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -3.989 -16.779 -53.933 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -3.083 -15.747 -52.845 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -4.290 -18.455 -52.118 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -2.597 -18.158 -52.464 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -2.495 -16.592 -50.495 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -4.170 -16.958 -50.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -2.678 -18.298 -48.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -3.574 -19.287 -49.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -1.951 -18.932 -50.213 1.00 0.00 H new ATOM 818 N LEU A 218 -7.121 -15.548 -54.950 1.00 0.00 N ATOM 819 CA LEU A 218 -7.607 -15.862 -56.300 1.00 0.00 C ATOM 820 C LEU A 218 -7.774 -14.586 -57.143 1.00 0.00 C ATOM 821 O LEU A 218 -7.337 -14.556 -58.292 1.00 0.00 O ATOM 822 CB LEU A 218 -8.927 -16.652 -56.211 1.00 0.00 C ATOM 823 CG LEU A 218 -8.758 -18.109 -55.735 1.00 0.00 C ATOM 824 CD1 LEU A 218 -10.131 -18.712 -55.433 1.00 0.00 C ATOM 825 CD2 LEU A 218 -8.077 -18.986 -56.790 1.00 0.00 C ATOM 0 H LEU A 218 -7.774 -15.807 -54.211 1.00 0.00 H new ATOM 0 HA LEU A 218 -6.865 -16.483 -56.802 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -9.602 -16.135 -55.530 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -9.403 -16.654 -57.191 1.00 0.00 H new ATOM 0 HG LEU A 218 -8.131 -18.085 -54.844 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -10.010 -19.742 -55.097 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -10.620 -18.130 -54.652 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -10.743 -18.694 -56.335 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -7.980 -20.003 -56.410 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -8.678 -18.994 -57.699 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -7.088 -18.586 -57.013 1.00 0.00 H new ATOM 837 N MET A 219 -8.344 -13.515 -56.580 1.00 0.00 N ATOM 838 CA MET A 219 -8.492 -12.226 -57.268 1.00 0.00 C ATOM 839 C MET A 219 -7.125 -11.660 -57.693 1.00 0.00 C ATOM 840 O MET A 219 -6.976 -11.205 -58.827 1.00 0.00 O ATOM 841 CB MET A 219 -9.267 -11.242 -56.371 1.00 0.00 C ATOM 842 CG MET A 219 -9.697 -9.949 -57.081 1.00 0.00 C ATOM 843 SD MET A 219 -11.363 -9.932 -57.817 1.00 0.00 S ATOM 844 CE MET A 219 -11.214 -11.147 -59.156 1.00 0.00 C ATOM 0 H MET A 219 -8.717 -13.517 -55.631 1.00 0.00 H new ATOM 0 HA MET A 219 -9.065 -12.378 -58.182 1.00 0.00 H new ATOM 0 HB2 MET A 219 -10.154 -11.743 -55.983 1.00 0.00 H new ATOM 0 HB3 MET A 219 -8.646 -10.983 -55.513 1.00 0.00 H new ATOM 0 HG2 MET A 219 -9.634 -9.130 -56.364 1.00 0.00 H new ATOM 0 HG3 MET A 219 -8.975 -9.738 -57.870 1.00 0.00 H new ATOM 0 HE1 MET A 219 -12.017 -10.994 -59.877 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.252 -11.024 -59.653 1.00 0.00 H new ATOM 0 HE3 MET A 219 -11.284 -12.153 -58.743 1.00 0.00 H new ATOM 854 N ALA A 220 -6.110 -11.733 -56.824 1.00 0.00 N ATOM 855 CA ALA A 220 -4.745 -11.302 -57.131 1.00 0.00 C ATOM 856 C ALA A 220 -4.116 -12.155 -58.254 1.00 0.00 C ATOM 857 O ALA A 220 -3.547 -11.606 -59.201 1.00 0.00 O ATOM 858 CB ALA A 220 -3.913 -11.346 -55.842 1.00 0.00 C ATOM 0 H ALA A 220 -6.217 -12.098 -55.877 1.00 0.00 H new ATOM 0 HA ALA A 220 -4.765 -10.279 -57.507 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -2.893 -11.027 -56.056 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -4.354 -10.679 -55.101 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -3.901 -12.364 -55.452 1.00 0.00 H new ATOM 864 N ARG A 221 -4.261 -13.490 -58.188 1.00 0.00 N ATOM 865 CA ARG A 221 -3.776 -14.441 -59.211 1.00 0.00 C ATOM 866 C ARG A 221 -4.385 -14.168 -60.593 1.00 0.00 C ATOM 867 O ARG A 221 -3.665 -14.188 -61.591 1.00 0.00 O ATOM 868 CB ARG A 221 -4.080 -15.885 -58.772 1.00 0.00 C ATOM 869 CG ARG A 221 -3.146 -16.388 -57.660 1.00 0.00 C ATOM 870 CD ARG A 221 -3.669 -17.716 -57.100 1.00 0.00 C ATOM 871 NE ARG A 221 -2.726 -18.314 -56.138 1.00 0.00 N ATOM 872 CZ ARG A 221 -2.947 -19.390 -55.401 1.00 0.00 C ATOM 873 NH1 ARG A 221 -4.087 -20.031 -55.408 1.00 0.00 N ATOM 874 NH2 ARG A 221 -2.008 -19.858 -54.625 1.00 0.00 N ATOM 0 H ARG A 221 -4.728 -13.950 -57.407 1.00 0.00 H new ATOM 0 HA ARG A 221 -2.698 -14.304 -59.300 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -5.112 -15.943 -58.425 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -3.996 -16.546 -59.635 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -2.138 -16.521 -58.052 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -3.083 -15.647 -56.863 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -4.630 -17.552 -56.613 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -3.843 -18.413 -57.920 1.00 0.00 H new ATOM 0 HE ARG A 221 -1.821 -17.857 -56.031 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -4.852 -19.705 -55.999 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -4.211 -20.857 -54.822 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -1.101 -19.394 -54.586 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -2.182 -20.688 -54.058 1.00 0.00 H new ATOM 888 N TYR A 222 -5.690 -13.892 -60.652 1.00 0.00 N ATOM 889 CA TYR A 222 -6.406 -13.568 -61.895 1.00 0.00 C ATOM 890 C TYR A 222 -6.088 -12.147 -62.404 1.00 0.00 C ATOM 891 O TYR A 222 -6.030 -11.927 -63.616 1.00 0.00 O ATOM 892 CB TYR A 222 -7.922 -13.733 -61.680 1.00 0.00 C ATOM 893 CG TYR A 222 -8.451 -15.142 -61.911 1.00 0.00 C ATOM 894 CD1 TYR A 222 -8.044 -16.212 -61.088 1.00 0.00 C ATOM 895 CD2 TYR A 222 -9.363 -15.383 -62.960 1.00 0.00 C ATOM 896 CE1 TYR A 222 -8.545 -17.510 -61.306 1.00 0.00 C ATOM 897 CE2 TYR A 222 -9.866 -16.680 -63.184 1.00 0.00 C ATOM 898 CZ TYR A 222 -9.459 -17.749 -62.355 1.00 0.00 C ATOM 899 OH TYR A 222 -9.940 -19.006 -62.560 1.00 0.00 O ATOM 0 H TYR A 222 -6.290 -13.886 -59.827 1.00 0.00 H new ATOM 0 HA TYR A 222 -6.065 -14.263 -62.662 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -8.165 -13.432 -60.661 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -8.446 -13.049 -62.348 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -7.344 -16.035 -60.285 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -9.678 -14.568 -63.595 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -8.230 -18.324 -60.670 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -10.563 -16.857 -63.990 1.00 0.00 H new ATOM 0 HH TYR A 222 -10.559 -19.000 -63.320 1.00 0.00 H new ATOM 909 N GLY A 223 -5.878 -11.183 -61.500 1.00 0.00 N ATOM 910 CA GLY A 223 -5.580 -9.785 -61.832 1.00 0.00 C ATOM 911 C GLY A 223 -4.163 -9.554 -62.374 1.00 0.00 C ATOM 912 O GLY A 223 -3.982 -8.751 -63.293 1.00 0.00 O ATOM 0 H GLY A 223 -5.911 -11.357 -60.495 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -6.301 -9.438 -62.572 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -5.720 -9.174 -60.940 1.00 0.00 H new ATOM 916 N ARG A 224 -3.156 -10.256 -61.833 1.00 0.00 N ATOM 917 CA ARG A 224 -1.750 -10.164 -62.265 1.00 0.00 C ATOM 918 C ARG A 224 -1.550 -10.801 -63.649 1.00 0.00 C ATOM 919 O ARG A 224 -1.527 -12.027 -63.777 1.00 0.00 O ATOM 920 CB ARG A 224 -0.837 -10.799 -61.197 1.00 0.00 C ATOM 921 CG ARG A 224 0.648 -10.533 -61.495 1.00 0.00 C ATOM 922 CD ARG A 224 1.557 -11.200 -60.456 1.00 0.00 C ATOM 923 NE ARG A 224 2.977 -10.868 -60.686 1.00 0.00 N ATOM 924 CZ ARG A 224 3.795 -11.428 -61.565 1.00 0.00 C ATOM 925 NH1 ARG A 224 3.426 -12.396 -62.365 1.00 0.00 N ATOM 926 NH2 ARG A 224 5.030 -11.017 -61.663 1.00 0.00 N ATOM 0 H ARG A 224 -3.297 -10.916 -61.069 1.00 0.00 H new ATOM 0 HA ARG A 224 -1.476 -9.114 -62.366 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -1.090 -10.398 -60.216 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -1.014 -11.874 -61.157 1.00 0.00 H new ATOM 0 HG2 ARG A 224 0.894 -10.907 -62.489 1.00 0.00 H new ATOM 0 HG3 ARG A 224 0.832 -9.459 -61.505 1.00 0.00 H new ATOM 0 HD2 ARG A 224 1.265 -10.879 -59.456 1.00 0.00 H new ATOM 0 HD3 ARG A 224 1.424 -12.281 -60.495 1.00 0.00 H new ATOM 0 HE ARG A 224 3.371 -10.128 -60.106 1.00 0.00 H new ATOM 0 HH11 ARG A 224 2.471 -12.752 -62.328 1.00 0.00 H new ATOM 0 HH12 ARG A 224 4.094 -12.795 -63.025 1.00 0.00 H new ATOM 0 HH21 ARG A 224 5.366 -10.264 -61.063 1.00 0.00 H new ATOM 0 HH22 ARG A 224 5.659 -11.449 -62.340 1.00 0.00 H new ATOM 940 N LEU A 225 -1.396 -9.968 -64.681 1.00 0.00 N ATOM 941 CA LEU A 225 -1.174 -10.379 -66.075 1.00 0.00 C ATOM 942 C LEU A 225 -0.323 -9.352 -66.844 1.00 0.00 C ATOM 943 O LEU A 225 -0.311 -8.165 -66.506 1.00 0.00 O ATOM 944 CB LEU A 225 -2.538 -10.660 -66.751 1.00 0.00 C ATOM 945 CG LEU A 225 -3.482 -9.447 -66.933 1.00 0.00 C ATOM 946 CD1 LEU A 225 -3.280 -8.743 -68.279 1.00 0.00 C ATOM 947 CD2 LEU A 225 -4.941 -9.906 -66.885 1.00 0.00 C ATOM 0 H LEU A 225 -1.423 -8.955 -64.569 1.00 0.00 H new ATOM 0 HA LEU A 225 -0.595 -11.303 -66.089 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -2.349 -11.095 -67.732 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -3.061 -11.414 -66.163 1.00 0.00 H new ATOM 0 HG LEU A 225 -3.247 -8.755 -66.124 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -3.967 -7.900 -68.355 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -2.254 -8.383 -68.351 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -3.476 -9.445 -69.090 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -5.598 -9.046 -67.014 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -5.123 -10.624 -67.684 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -5.143 -10.376 -65.922 1.00 0.00 H new ATOM 959 N ALA A 226 0.387 -9.818 -67.877 1.00 0.00 N ATOM 960 CA ALA A 226 1.268 -8.998 -68.724 1.00 0.00 C ATOM 961 C ALA A 226 1.394 -9.499 -70.187 1.00 0.00 C ATOM 962 O ALA A 226 2.175 -8.949 -70.966 1.00 0.00 O ATOM 963 CB ALA A 226 2.645 -8.934 -68.042 1.00 0.00 C ATOM 0 H ALA A 226 0.366 -10.799 -68.156 1.00 0.00 H new ATOM 0 HA ALA A 226 0.822 -8.008 -68.814 1.00 0.00 H new ATOM 0 HB1 ALA A 226 3.323 -8.332 -68.647 1.00 0.00 H new ATOM 0 HB2 ALA A 226 2.542 -8.483 -67.055 1.00 0.00 H new ATOM 0 HB3 ALA A 226 3.048 -9.942 -67.940 1.00 0.00 H new ATOM 969 N ASP A 227 0.639 -10.535 -70.580 1.00 0.00 N ATOM 970 CA ASP A 227 0.652 -11.146 -71.920 1.00 0.00 C ATOM 971 C ASP A 227 -0.748 -11.634 -72.331 1.00 0.00 C ATOM 972 O ASP A 227 -1.515 -12.159 -71.509 1.00 0.00 O ATOM 973 CB ASP A 227 1.640 -12.327 -71.952 1.00 0.00 C ATOM 974 CG ASP A 227 3.104 -11.888 -71.825 1.00 0.00 C ATOM 975 OD1 ASP A 227 3.677 -11.458 -72.855 1.00 0.00 O ATOM 976 OD2 ASP A 227 3.661 -12.004 -70.706 1.00 0.00 O ATOM 0 H ASP A 227 -0.023 -10.989 -69.950 1.00 0.00 H new ATOM 0 HA ASP A 227 0.969 -10.382 -72.630 1.00 0.00 H new ATOM 0 HB2 ASP A 227 1.401 -13.015 -71.141 1.00 0.00 H new ATOM 0 HB3 ASP A 227 1.511 -12.876 -72.885 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -9.028 -11.671 -42.144 1.00 0.00 ZN