USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 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 Single : A 168 SER OG : rot 26:sc= 0.0743 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= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 176 GLN : amide:sc=-0.00182 K(o=-0.0018,f=-0.7) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 180 MET CE :methyl 172:sc= 0 (180deg=-0.0674) USER MOD Single : A 185 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0925) 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= 0.936 K(o=0.94,f=-0.047) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.8!) USER MOD Single : A 204 TYR OH : rot -9:sc= 0.304 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 212 GLN : amide:sc=-0.00858 X(o=-0.0086,f=-0.031) USER MOD Single : A 214 THR OG1 : rot 79:sc= 0.0899 USER MOD Single : A 215 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -171:sc= 0 (180deg=-0.0819) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 -10.266 -22.515 -13.696 1.00 0.00 N ATOM 2 CA SER A 168 -10.807 -21.646 -12.642 1.00 0.00 C ATOM 3 C SER A 168 -11.621 -20.456 -13.183 1.00 0.00 C ATOM 4 O SER A 168 -11.483 -20.050 -14.342 1.00 0.00 O ATOM 5 CB SER A 168 -9.663 -21.120 -11.761 1.00 0.00 C ATOM 6 OG SER A 168 -8.938 -22.198 -11.181 1.00 0.00 O ATOM 0 HA SER A 168 -11.493 -22.261 -12.060 1.00 0.00 H new ATOM 0 HB2 SER A 168 -8.991 -20.503 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 168 -10.067 -20.482 -10.975 1.00 0.00 H new ATOM 0 HG SER A 168 -9.031 -22.995 -11.743 1.00 0.00 H new ATOM 12 N THR A 169 -12.474 -19.878 -12.329 1.00 0.00 N ATOM 13 CA THR A 169 -13.335 -18.718 -12.638 1.00 0.00 C ATOM 14 C THR A 169 -12.514 -17.496 -13.078 1.00 0.00 C ATOM 15 O THR A 169 -11.469 -17.197 -12.492 1.00 0.00 O ATOM 16 CB THR A 169 -14.187 -18.348 -11.408 1.00 0.00 C ATOM 17 OG1 THR A 169 -14.823 -19.506 -10.898 1.00 0.00 O ATOM 18 CG2 THR A 169 -15.293 -17.339 -11.726 1.00 0.00 C ATOM 0 H THR A 169 -12.592 -20.211 -11.372 1.00 0.00 H new ATOM 0 HA THR A 169 -13.983 -19.005 -13.466 1.00 0.00 H new ATOM 0 HB THR A 169 -13.498 -17.904 -10.689 1.00 0.00 H new ATOM 0 HG1 THR A 169 -15.362 -19.266 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 169 -15.857 -17.120 -10.819 1.00 0.00 H new ATOM 0 HG22 THR A 169 -14.848 -16.420 -12.108 1.00 0.00 H new ATOM 0 HG23 THR A 169 -15.962 -17.758 -12.477 1.00 0.00 H new ATOM 26 N LYS A 170 -12.984 -16.770 -14.104 1.00 0.00 N ATOM 27 CA LYS A 170 -12.331 -15.558 -14.635 1.00 0.00 C ATOM 28 C LYS A 170 -12.385 -14.396 -13.628 1.00 0.00 C ATOM 29 O LYS A 170 -13.442 -14.111 -13.062 1.00 0.00 O ATOM 30 CB LYS A 170 -13.013 -15.174 -15.965 1.00 0.00 C ATOM 31 CG LYS A 170 -12.314 -14.049 -16.753 1.00 0.00 C ATOM 32 CD LYS A 170 -10.899 -14.379 -17.259 1.00 0.00 C ATOM 33 CE LYS A 170 -10.889 -15.589 -18.202 1.00 0.00 C ATOM 34 NZ LYS A 170 -9.532 -15.846 -18.730 1.00 0.00 N ATOM 0 H LYS A 170 -13.843 -17.011 -14.598 1.00 0.00 H new ATOM 0 HA LYS A 170 -11.276 -15.768 -14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -13.068 -16.060 -16.597 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -14.038 -14.868 -15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -12.936 -13.788 -17.609 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -12.258 -13.165 -16.118 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.489 -13.513 -17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.248 -14.578 -16.408 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -11.248 -16.470 -17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.577 -15.414 -19.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -9.557 -16.670 -19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -9.201 -15.013 -19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -8.883 -16.036 -17.940 1.00 0.00 H new ATOM 48 N VAL A 171 -11.255 -13.709 -13.436 1.00 0.00 N ATOM 49 CA VAL A 171 -11.093 -12.542 -12.541 1.00 0.00 C ATOM 50 C VAL A 171 -10.217 -11.498 -13.250 1.00 0.00 C ATOM 51 O VAL A 171 -9.042 -11.307 -12.934 1.00 0.00 O ATOM 52 CB VAL A 171 -10.549 -12.931 -11.142 1.00 0.00 C ATOM 53 CG1 VAL A 171 -10.607 -11.743 -10.170 1.00 0.00 C ATOM 54 CG2 VAL A 171 -11.351 -14.062 -10.481 1.00 0.00 C ATOM 0 H VAL A 171 -10.389 -13.954 -13.916 1.00 0.00 H new ATOM 0 HA VAL A 171 -12.073 -12.107 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 171 -9.524 -13.255 -11.323 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -10.219 -12.049 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -10.004 -10.924 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -11.640 -11.413 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -10.922 -14.290 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -12.388 -13.749 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -11.313 -14.951 -11.110 1.00 0.00 H new ATOM 64 N GLU A 172 -10.782 -10.854 -14.274 1.00 0.00 N ATOM 65 CA GLU A 172 -10.107 -9.854 -15.118 1.00 0.00 C ATOM 66 C GLU A 172 -11.104 -8.796 -15.636 1.00 0.00 C ATOM 67 O GLU A 172 -12.274 -9.105 -15.873 1.00 0.00 O ATOM 68 CB GLU A 172 -9.423 -10.596 -16.283 1.00 0.00 C ATOM 69 CG GLU A 172 -8.520 -9.699 -17.140 1.00 0.00 C ATOM 70 CD GLU A 172 -7.741 -10.527 -18.171 1.00 0.00 C ATOM 71 OE1 GLU A 172 -8.326 -10.848 -19.233 1.00 0.00 O ATOM 72 OE2 GLU A 172 -6.557 -10.846 -17.900 1.00 0.00 O ATOM 0 H GLU A 172 -11.750 -11.016 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 172 -9.361 -9.317 -14.532 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -8.829 -11.416 -15.881 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -10.189 -11.039 -16.919 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -9.125 -8.951 -17.652 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -7.822 -9.161 -16.499 1.00 0.00 H new ATOM 79 N ALA A 173 -10.636 -7.553 -15.822 1.00 0.00 N ATOM 80 CA ALA A 173 -11.407 -6.397 -16.314 1.00 0.00 C ATOM 81 C ALA A 173 -12.732 -6.106 -15.557 1.00 0.00 C ATOM 82 O ALA A 173 -13.672 -5.536 -16.118 1.00 0.00 O ATOM 83 CB ALA A 173 -11.567 -6.530 -17.838 1.00 0.00 C ATOM 0 H ALA A 173 -9.664 -7.313 -15.625 1.00 0.00 H new ATOM 0 HA ALA A 173 -10.835 -5.496 -16.090 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -12.136 -5.682 -18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -10.583 -6.548 -18.307 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -12.096 -7.455 -18.069 1.00 0.00 H new ATOM 89 N LEU A 174 -12.814 -6.489 -14.275 1.00 0.00 N ATOM 90 CA LEU A 174 -13.994 -6.306 -13.409 1.00 0.00 C ATOM 91 C LEU A 174 -14.224 -4.850 -12.934 1.00 0.00 C ATOM 92 O LEU A 174 -15.235 -4.569 -12.284 1.00 0.00 O ATOM 93 CB LEU A 174 -13.884 -7.256 -12.196 1.00 0.00 C ATOM 94 CG LEU A 174 -13.773 -8.760 -12.523 1.00 0.00 C ATOM 95 CD1 LEU A 174 -13.744 -9.561 -11.221 1.00 0.00 C ATOM 96 CD2 LEU A 174 -14.938 -9.276 -13.370 1.00 0.00 C ATOM 0 H LEU A 174 -12.040 -6.948 -13.795 1.00 0.00 H new ATOM 0 HA LEU A 174 -14.865 -6.548 -14.018 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -13.011 -6.966 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -14.758 -7.106 -11.562 1.00 0.00 H new ATOM 0 HG LEU A 174 -12.856 -8.888 -13.097 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -13.666 -10.624 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -12.885 -9.254 -10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -14.660 -9.377 -10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -14.802 -10.340 -13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -15.874 -9.123 -12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -14.969 -8.734 -14.315 1.00 0.00 H new ATOM 108 N HIS A 175 -13.307 -3.924 -13.246 1.00 0.00 N ATOM 109 CA HIS A 175 -13.358 -2.498 -12.871 1.00 0.00 C ATOM 110 C HIS A 175 -12.751 -1.599 -13.967 1.00 0.00 C ATOM 111 O HIS A 175 -12.065 -2.090 -14.868 1.00 0.00 O ATOM 112 CB HIS A 175 -12.631 -2.334 -11.520 1.00 0.00 C ATOM 113 CG HIS A 175 -12.815 -0.981 -10.879 1.00 0.00 C ATOM 114 ND1 HIS A 175 -11.857 0.012 -10.778 1.00 0.00 N ATOM 115 CD2 HIS A 175 -13.964 -0.512 -10.303 1.00 0.00 C ATOM 116 CE1 HIS A 175 -12.415 1.068 -10.154 1.00 0.00 C ATOM 117 NE2 HIS A 175 -13.695 0.768 -9.857 1.00 0.00 N ATOM 0 H HIS A 175 -12.474 -4.154 -13.788 1.00 0.00 H new ATOM 0 HA HIS A 175 -14.395 -2.178 -12.768 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -12.988 -3.101 -10.833 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -11.566 -2.511 -11.669 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -14.901 -1.041 -10.214 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -11.919 2.000 -9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -14.355 1.383 -9.382 1.00 0.00 H new ATOM 126 N GLN A 176 -12.985 -0.287 -13.882 1.00 0.00 N ATOM 127 CA GLN A 176 -12.488 0.735 -14.817 1.00 0.00 C ATOM 128 C GLN A 176 -11.984 1.976 -14.060 1.00 0.00 C ATOM 129 O GLN A 176 -12.635 2.451 -13.126 1.00 0.00 O ATOM 130 CB GLN A 176 -13.613 1.147 -15.789 1.00 0.00 C ATOM 131 CG GLN A 176 -13.986 0.082 -16.837 1.00 0.00 C ATOM 132 CD GLN A 176 -12.908 -0.174 -17.895 1.00 0.00 C ATOM 133 OE1 GLN A 176 -11.854 0.449 -17.946 1.00 0.00 O ATOM 134 NE2 GLN A 176 -13.138 -1.099 -18.804 1.00 0.00 N ATOM 0 H GLN A 176 -13.548 0.112 -13.131 1.00 0.00 H new ATOM 0 HA GLN A 176 -11.656 0.308 -15.377 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -14.503 1.392 -15.209 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -13.310 2.056 -16.308 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -14.202 -0.855 -16.323 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -14.903 0.390 -17.339 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -14.008 -1.631 -18.782 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -12.446 -1.284 -19.530 1.00 0.00 H new ATOM 143 N ASN A 177 -10.828 2.507 -14.475 1.00 0.00 N ATOM 144 CA ASN A 177 -10.198 3.705 -13.887 1.00 0.00 C ATOM 145 C ASN A 177 -9.231 4.424 -14.861 1.00 0.00 C ATOM 146 O ASN A 177 -9.112 5.651 -14.831 1.00 0.00 O ATOM 147 CB ASN A 177 -9.472 3.279 -12.591 1.00 0.00 C ATOM 148 CG ASN A 177 -9.166 4.423 -11.631 1.00 0.00 C ATOM 149 OD1 ASN A 177 -9.572 5.566 -11.793 1.00 0.00 O ATOM 150 ND2 ASN A 177 -8.456 4.137 -10.563 1.00 0.00 N ATOM 0 H ASN A 177 -10.289 2.111 -15.245 1.00 0.00 H new ATOM 0 HA ASN A 177 -10.978 4.434 -13.667 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -10.084 2.541 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.537 2.787 -12.859 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -8.248 4.864 -9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -8.113 3.188 -10.418 1.00 0.00 H new ATOM 157 N ARG A 178 -8.566 3.670 -15.753 1.00 0.00 N ATOM 158 CA ARG A 178 -7.631 4.156 -16.789 1.00 0.00 C ATOM 159 C ARG A 178 -7.866 3.433 -18.120 1.00 0.00 C ATOM 160 O ARG A 178 -8.321 2.289 -18.143 1.00 0.00 O ATOM 161 CB ARG A 178 -6.173 3.940 -16.331 1.00 0.00 C ATOM 162 CG ARG A 178 -5.691 4.867 -15.202 1.00 0.00 C ATOM 163 CD ARG A 178 -5.650 6.340 -15.636 1.00 0.00 C ATOM 164 NE ARG A 178 -4.925 7.178 -14.662 1.00 0.00 N ATOM 165 CZ ARG A 178 -3.617 7.388 -14.621 1.00 0.00 C ATOM 166 NH1 ARG A 178 -2.780 6.832 -15.459 1.00 0.00 N ATOM 167 NH2 ARG A 178 -3.108 8.178 -13.715 1.00 0.00 N ATOM 0 H ARG A 178 -8.669 2.655 -15.774 1.00 0.00 H new ATOM 0 HA ARG A 178 -7.811 5.221 -16.936 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -6.063 2.907 -16.001 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -5.517 4.072 -17.191 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -6.352 4.762 -14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -4.697 4.557 -14.880 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -5.170 6.418 -16.611 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -6.668 6.714 -15.751 1.00 0.00 H new ATOM 0 HE ARG A 178 -5.487 7.642 -13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -3.126 6.205 -16.185 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -1.781 7.026 -15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -3.717 8.635 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.101 8.338 -13.685 1.00 0.00 H new ATOM 181 N GLU A 179 -7.541 4.103 -19.224 1.00 0.00 N ATOM 182 CA GLU A 179 -7.687 3.606 -20.602 1.00 0.00 C ATOM 183 C GLU A 179 -6.724 4.317 -21.582 1.00 0.00 C ATOM 184 O GLU A 179 -5.928 5.172 -21.184 1.00 0.00 O ATOM 185 CB GLU A 179 -9.161 3.748 -21.047 1.00 0.00 C ATOM 186 CG GLU A 179 -9.658 5.200 -21.143 1.00 0.00 C ATOM 187 CD GLU A 179 -11.143 5.244 -21.526 1.00 0.00 C ATOM 188 OE1 GLU A 179 -11.440 5.222 -22.746 1.00 0.00 O ATOM 189 OE2 GLU A 179 -11.990 5.300 -20.601 1.00 0.00 O ATOM 0 H GLU A 179 -7.153 5.045 -19.188 1.00 0.00 H new ATOM 0 HA GLU A 179 -7.412 2.551 -20.620 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -9.282 3.270 -22.019 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -9.794 3.206 -20.344 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -9.509 5.704 -20.188 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -9.071 5.742 -21.884 1.00 0.00 H new ATOM 196 N MET A 180 -6.816 3.978 -22.872 1.00 0.00 N ATOM 197 CA MET A 180 -6.030 4.544 -23.982 1.00 0.00 C ATOM 198 C MET A 180 -6.949 4.889 -25.170 1.00 0.00 C ATOM 199 O MET A 180 -8.103 4.451 -25.210 1.00 0.00 O ATOM 200 CB MET A 180 -4.950 3.537 -24.425 1.00 0.00 C ATOM 201 CG MET A 180 -3.889 3.278 -23.347 1.00 0.00 C ATOM 202 SD MET A 180 -2.618 2.061 -23.800 1.00 0.00 S ATOM 203 CE MET A 180 -1.726 2.957 -25.104 1.00 0.00 C ATOM 0 H MET A 180 -7.473 3.266 -23.190 1.00 0.00 H new ATOM 0 HA MET A 180 -5.547 5.459 -23.639 1.00 0.00 H new ATOM 0 HB2 MET A 180 -5.428 2.594 -24.690 1.00 0.00 H new ATOM 0 HB3 MET A 180 -4.461 3.910 -25.325 1.00 0.00 H new ATOM 0 HG2 MET A 180 -3.399 4.221 -23.107 1.00 0.00 H new ATOM 0 HG3 MET A 180 -4.389 2.939 -22.440 1.00 0.00 H new ATOM 0 HE1 MET A 180 -0.832 2.399 -25.382 1.00 0.00 H new ATOM 0 HE2 MET A 180 -2.371 3.068 -25.976 1.00 0.00 H new ATOM 0 HE3 MET A 180 -1.439 3.943 -24.737 1.00 0.00 H new ATOM 213 N ILE A 181 -6.447 5.661 -26.145 1.00 0.00 N ATOM 214 CA ILE A 181 -7.199 6.040 -27.356 1.00 0.00 C ATOM 215 C ILE A 181 -7.706 4.784 -28.093 1.00 0.00 C ATOM 216 O ILE A 181 -6.954 3.836 -28.320 1.00 0.00 O ATOM 217 CB ILE A 181 -6.368 7.002 -28.239 1.00 0.00 C ATOM 218 CG1 ILE A 181 -7.285 7.702 -29.265 1.00 0.00 C ATOM 219 CG2 ILE A 181 -5.159 6.318 -28.906 1.00 0.00 C ATOM 220 CD1 ILE A 181 -6.591 8.805 -30.076 1.00 0.00 C ATOM 0 H ILE A 181 -5.502 6.044 -26.118 1.00 0.00 H new ATOM 0 HA ILE A 181 -8.091 6.599 -27.073 1.00 0.00 H new ATOM 0 HB ILE A 181 -5.938 7.761 -27.585 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -7.680 6.954 -29.953 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -8.137 8.134 -28.740 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -4.618 7.045 -29.511 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -4.496 5.920 -28.137 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -5.507 5.504 -29.542 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -7.303 9.246 -30.773 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -6.220 9.575 -29.400 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -5.756 8.378 -30.632 1.00 0.00 H new ATOM 232 N ASP A 182 -9.001 4.749 -28.410 1.00 0.00 N ATOM 233 CA ASP A 182 -9.709 3.578 -28.952 1.00 0.00 C ATOM 234 C ASP A 182 -10.519 3.868 -30.236 1.00 0.00 C ATOM 235 O ASP A 182 -11.754 3.832 -30.221 1.00 0.00 O ATOM 236 CB ASP A 182 -10.545 2.947 -27.816 1.00 0.00 C ATOM 237 CG ASP A 182 -11.729 3.796 -27.309 1.00 0.00 C ATOM 238 OD1 ASP A 182 -11.588 5.039 -27.197 1.00 0.00 O ATOM 239 OD2 ASP A 182 -12.783 3.192 -26.992 1.00 0.00 O ATOM 0 H ASP A 182 -9.610 5.559 -28.294 1.00 0.00 H new ATOM 0 HA ASP A 182 -8.972 2.853 -29.296 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -10.931 1.988 -28.163 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -9.884 2.739 -26.975 1.00 0.00 H new ATOM 244 N PRO A 183 -9.843 4.159 -31.366 1.00 0.00 N ATOM 245 CA PRO A 183 -10.509 4.407 -32.641 1.00 0.00 C ATOM 246 C PRO A 183 -11.070 3.102 -33.232 1.00 0.00 C ATOM 247 O PRO A 183 -10.533 2.013 -33.013 1.00 0.00 O ATOM 248 CB PRO A 183 -9.425 5.011 -33.540 1.00 0.00 C ATOM 249 CG PRO A 183 -8.141 4.360 -33.028 1.00 0.00 C ATOM 250 CD PRO A 183 -8.395 4.222 -31.528 1.00 0.00 C ATOM 0 HA PRO A 183 -11.364 5.075 -32.537 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -9.601 4.782 -34.591 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -9.388 6.097 -33.452 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -7.965 3.392 -33.498 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -7.267 4.978 -33.233 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -7.919 3.324 -31.133 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -7.979 5.069 -30.983 1.00 0.00 H new ATOM 258 N ASP A 184 -12.138 3.207 -34.024 1.00 0.00 N ATOM 259 CA ASP A 184 -12.727 2.055 -34.719 1.00 0.00 C ATOM 260 C ASP A 184 -11.851 1.666 -35.927 1.00 0.00 C ATOM 261 O ASP A 184 -11.355 2.544 -36.645 1.00 0.00 O ATOM 262 CB ASP A 184 -14.155 2.390 -35.171 1.00 0.00 C ATOM 263 CG ASP A 184 -15.068 2.719 -33.986 1.00 0.00 C ATOM 264 OD1 ASP A 184 -15.265 1.820 -33.132 1.00 0.00 O ATOM 265 OD2 ASP A 184 -15.568 3.867 -33.928 1.00 0.00 O ATOM 0 H ASP A 184 -12.620 4.088 -34.203 1.00 0.00 H new ATOM 0 HA ASP A 184 -12.771 1.207 -34.036 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -14.129 3.238 -35.856 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -14.568 1.546 -35.724 1.00 0.00 H new ATOM 270 N LYS A 185 -11.656 0.362 -36.165 1.00 0.00 N ATOM 271 CA LYS A 185 -10.824 -0.180 -37.252 1.00 0.00 C ATOM 272 C LYS A 185 -11.504 -1.371 -37.933 1.00 0.00 C ATOM 273 O LYS A 185 -12.436 -1.960 -37.387 1.00 0.00 O ATOM 274 CB LYS A 185 -9.451 -0.572 -36.673 1.00 0.00 C ATOM 275 CG LYS A 185 -8.536 0.606 -36.302 1.00 0.00 C ATOM 276 CD LYS A 185 -8.030 1.370 -37.538 1.00 0.00 C ATOM 277 CE LYS A 185 -7.025 2.465 -37.165 1.00 0.00 C ATOM 278 NZ LYS A 185 -7.673 3.570 -36.428 1.00 0.00 N ATOM 0 H LYS A 185 -12.083 -0.366 -35.592 1.00 0.00 H new ATOM 0 HA LYS A 185 -10.689 0.582 -38.020 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -9.610 -1.181 -35.783 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -8.934 -1.198 -37.400 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -9.078 1.292 -35.651 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -7.683 0.235 -35.734 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -7.563 0.670 -38.231 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -8.876 1.817 -38.059 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -6.230 2.037 -36.555 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -6.558 2.855 -38.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -7.583 4.451 -36.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -8.680 3.351 -36.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -7.213 3.687 -35.503 1.00 0.00 H new ATOM 292 N PHE A 186 -11.031 -1.724 -39.126 1.00 0.00 N ATOM 293 CA PHE A 186 -11.576 -2.804 -39.955 1.00 0.00 C ATOM 294 C PHE A 186 -10.482 -3.490 -40.793 1.00 0.00 C ATOM 295 O PHE A 186 -9.467 -2.870 -41.128 1.00 0.00 O ATOM 296 CB PHE A 186 -12.666 -2.189 -40.858 1.00 0.00 C ATOM 297 CG PHE A 186 -13.309 -3.138 -41.855 1.00 0.00 C ATOM 298 CD1 PHE A 186 -14.150 -4.170 -41.401 1.00 0.00 C ATOM 299 CD2 PHE A 186 -13.064 -2.999 -43.235 1.00 0.00 C ATOM 300 CE1 PHE A 186 -14.699 -5.093 -42.309 1.00 0.00 C ATOM 301 CE2 PHE A 186 -13.652 -3.893 -44.149 1.00 0.00 C ATOM 302 CZ PHE A 186 -14.456 -4.950 -43.686 1.00 0.00 C ATOM 0 H PHE A 186 -10.235 -1.255 -39.558 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.000 -3.581 -39.319 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -13.448 -1.776 -40.222 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -12.229 -1.356 -41.408 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -14.376 -4.254 -40.348 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -12.424 -2.206 -43.592 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -15.306 -5.910 -41.949 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -13.485 -3.767 -45.209 1.00 0.00 H new ATOM 0 HZ PHE A 186 -14.886 -5.650 -44.387 1.00 0.00 H new ATOM 312 N CYS A 187 -10.707 -4.758 -41.143 1.00 0.00 N ATOM 313 CA CYS A 187 -9.834 -5.594 -41.965 1.00 0.00 C ATOM 314 C CYS A 187 -10.649 -6.176 -43.137 1.00 0.00 C ATOM 315 O CYS A 187 -11.422 -7.127 -42.984 1.00 0.00 O ATOM 316 CB CYS A 187 -9.186 -6.676 -41.085 1.00 0.00 C ATOM 317 SG CYS A 187 -7.800 -7.458 -41.968 1.00 0.00 S ATOM 0 H CYS A 187 -11.547 -5.254 -40.845 1.00 0.00 H new ATOM 0 HA CYS A 187 -9.023 -5.008 -42.396 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.830 -6.233 -40.155 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -9.927 -7.429 -40.817 1.00 0.00 H new ATOM 322 N SER A 188 -10.511 -5.563 -44.318 1.00 0.00 N ATOM 323 CA SER A 188 -11.234 -5.957 -45.539 1.00 0.00 C ATOM 324 C SER A 188 -10.870 -7.368 -46.031 1.00 0.00 C ATOM 325 O SER A 188 -11.703 -8.071 -46.608 1.00 0.00 O ATOM 326 CB SER A 188 -10.960 -4.921 -46.637 1.00 0.00 C ATOM 327 OG SER A 188 -11.843 -5.092 -47.733 1.00 0.00 O ATOM 0 H SER A 188 -9.887 -4.769 -44.458 1.00 0.00 H new ATOM 0 HA SER A 188 -12.296 -5.987 -45.297 1.00 0.00 H new ATOM 0 HB2 SER A 188 -11.072 -3.916 -46.229 1.00 0.00 H new ATOM 0 HB3 SER A 188 -9.929 -5.013 -46.979 1.00 0.00 H new ATOM 0 HG SER A 188 -11.648 -4.419 -48.418 1.00 0.00 H new ATOM 333 N LEU A 189 -9.633 -7.808 -45.773 1.00 0.00 N ATOM 334 CA LEU A 189 -9.118 -9.126 -46.157 1.00 0.00 C ATOM 335 C LEU A 189 -9.678 -10.273 -45.280 1.00 0.00 C ATOM 336 O LEU A 189 -9.626 -11.433 -45.701 1.00 0.00 O ATOM 337 CB LEU A 189 -7.576 -9.102 -46.105 1.00 0.00 C ATOM 338 CG LEU A 189 -6.879 -8.425 -47.305 1.00 0.00 C ATOM 339 CD1 LEU A 189 -7.207 -6.940 -47.491 1.00 0.00 C ATOM 340 CD2 LEU A 189 -5.364 -8.541 -47.138 1.00 0.00 C ATOM 0 H LEU A 189 -8.944 -7.241 -45.278 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.456 -9.331 -47.173 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.269 -8.590 -45.193 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.217 -10.128 -46.031 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.254 -8.948 -48.185 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -6.671 -6.555 -48.358 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -8.279 -6.821 -47.645 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.905 -6.386 -46.602 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -4.867 -8.064 -47.983 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.061 -8.048 -46.214 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -5.082 -9.593 -47.098 1.00 0.00 H new ATOM 352 N CYS A 190 -10.216 -9.950 -44.097 1.00 0.00 N ATOM 353 CA CYS A 190 -10.727 -10.897 -43.095 1.00 0.00 C ATOM 354 C CYS A 190 -12.207 -10.683 -42.712 1.00 0.00 C ATOM 355 O CYS A 190 -12.778 -11.513 -41.997 1.00 0.00 O ATOM 356 CB CYS A 190 -9.852 -10.755 -41.832 1.00 0.00 C ATOM 357 SG CYS A 190 -8.091 -11.090 -42.148 1.00 0.00 S ATOM 0 H CYS A 190 -10.312 -8.979 -43.798 1.00 0.00 H new ATOM 0 HA CYS A 190 -10.677 -11.894 -43.534 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -9.959 -9.746 -41.434 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -10.215 -11.440 -41.066 1.00 0.00 H new ATOM 362 N HIS A 191 -12.824 -9.579 -43.157 1.00 0.00 N ATOM 363 CA HIS A 191 -14.197 -9.160 -42.826 1.00 0.00 C ATOM 364 C HIS A 191 -14.407 -9.088 -41.300 1.00 0.00 C ATOM 365 O HIS A 191 -15.355 -9.660 -40.753 1.00 0.00 O ATOM 366 CB HIS A 191 -15.222 -10.026 -43.586 1.00 0.00 C ATOM 367 CG HIS A 191 -14.984 -10.055 -45.076 1.00 0.00 C ATOM 368 ND1 HIS A 191 -14.321 -11.049 -45.773 1.00 0.00 N ATOM 369 CD2 HIS A 191 -15.341 -9.085 -45.974 1.00 0.00 C ATOM 370 CE1 HIS A 191 -14.275 -10.691 -47.070 1.00 0.00 C ATOM 371 NE2 HIS A 191 -14.893 -9.502 -47.213 1.00 0.00 N ATOM 0 H HIS A 191 -12.360 -8.923 -43.786 1.00 0.00 H new ATOM 0 HA HIS A 191 -14.364 -8.140 -43.173 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -15.187 -11.044 -43.199 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.225 -9.646 -43.392 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -15.871 -8.170 -45.756 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -13.818 -11.262 -47.865 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -15.011 -8.994 -48.090 1.00 0.00 H new ATOM 380 N ALA A 192 -13.491 -8.393 -40.618 1.00 0.00 N ATOM 381 CA ALA A 192 -13.434 -8.234 -39.161 1.00 0.00 C ATOM 382 C ALA A 192 -13.337 -6.751 -38.751 1.00 0.00 C ATOM 383 O ALA A 192 -12.708 -5.955 -39.448 1.00 0.00 O ATOM 384 CB ALA A 192 -12.231 -9.040 -38.648 1.00 0.00 C ATOM 0 H ALA A 192 -12.732 -7.902 -41.090 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.354 -8.609 -38.713 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -12.162 -8.941 -37.565 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -12.359 -10.091 -38.909 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -11.317 -8.661 -39.106 1.00 0.00 H new ATOM 390 N THR A 193 -13.949 -6.387 -37.618 1.00 0.00 N ATOM 391 CA THR A 193 -14.017 -5.008 -37.080 1.00 0.00 C ATOM 392 C THR A 193 -13.467 -4.955 -35.651 1.00 0.00 C ATOM 393 O THR A 193 -13.607 -5.926 -34.900 1.00 0.00 O ATOM 394 CB THR A 193 -15.475 -4.499 -37.094 1.00 0.00 C ATOM 395 OG1 THR A 193 -16.082 -4.725 -38.352 1.00 0.00 O ATOM 396 CG2 THR A 193 -15.610 -2.997 -36.834 1.00 0.00 C ATOM 0 H THR A 193 -14.430 -7.062 -37.024 1.00 0.00 H new ATOM 0 HA THR A 193 -13.406 -4.366 -37.715 1.00 0.00 H new ATOM 0 HB THR A 193 -15.958 -5.056 -36.291 1.00 0.00 H new ATOM 0 HG1 THR A 193 -17.005 -4.395 -38.334 1.00 0.00 H new ATOM 0 HG21 THR A 193 -16.663 -2.716 -36.860 1.00 0.00 H new ATOM 0 HG22 THR A 193 -15.195 -2.758 -35.855 1.00 0.00 H new ATOM 0 HG23 THR A 193 -15.069 -2.445 -37.602 1.00 0.00 H new ATOM 404 N PHE A 194 -12.850 -3.834 -35.258 1.00 0.00 N ATOM 405 CA PHE A 194 -12.215 -3.648 -33.946 1.00 0.00 C ATOM 406 C PHE A 194 -12.585 -2.282 -33.355 1.00 0.00 C ATOM 407 O PHE A 194 -12.835 -1.328 -34.095 1.00 0.00 O ATOM 408 CB PHE A 194 -10.683 -3.801 -34.085 1.00 0.00 C ATOM 409 CG PHE A 194 -10.256 -4.808 -35.142 1.00 0.00 C ATOM 410 CD1 PHE A 194 -10.419 -6.187 -34.914 1.00 0.00 C ATOM 411 CD2 PHE A 194 -9.847 -4.358 -36.412 1.00 0.00 C ATOM 412 CE1 PHE A 194 -10.220 -7.101 -35.962 1.00 0.00 C ATOM 413 CE2 PHE A 194 -9.639 -5.271 -37.457 1.00 0.00 C ATOM 414 CZ PHE A 194 -9.840 -6.641 -37.235 1.00 0.00 C ATOM 0 H PHE A 194 -12.776 -3.012 -35.857 1.00 0.00 H new ATOM 0 HA PHE A 194 -12.580 -4.412 -33.260 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -10.252 -2.830 -34.328 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -10.269 -4.102 -33.123 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -10.697 -6.543 -33.933 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -9.692 -3.303 -36.583 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -10.359 -8.158 -35.790 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -9.325 -4.920 -38.429 1.00 0.00 H new ATOM 0 HZ PHE A 194 -9.703 -7.344 -38.043 1.00 0.00 H new ATOM 424 N ASN A 195 -12.627 -2.186 -32.023 1.00 0.00 N ATOM 425 CA ASN A 195 -13.039 -0.973 -31.298 1.00 0.00 C ATOM 426 C ASN A 195 -12.078 -0.597 -30.147 1.00 0.00 C ATOM 427 O ASN A 195 -12.443 0.165 -29.253 1.00 0.00 O ATOM 428 CB ASN A 195 -14.487 -1.166 -30.794 1.00 0.00 C ATOM 429 CG ASN A 195 -15.452 -1.728 -31.829 1.00 0.00 C ATOM 430 OD1 ASN A 195 -15.749 -2.915 -31.856 1.00 0.00 O ATOM 431 ND2 ASN A 195 -15.973 -0.913 -32.716 1.00 0.00 N ATOM 0 H ASN A 195 -12.373 -2.958 -31.406 1.00 0.00 H new ATOM 0 HA ASN A 195 -12.997 -0.130 -31.988 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -14.471 -1.833 -29.932 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -14.867 -0.205 -30.447 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -16.619 -1.271 -33.420 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -15.732 0.078 -32.702 1.00 0.00 H new ATOM 438 N ASP A 196 -10.852 -1.132 -30.152 1.00 0.00 N ATOM 439 CA ASP A 196 -9.801 -0.899 -29.149 1.00 0.00 C ATOM 440 C ASP A 196 -8.405 -0.932 -29.809 1.00 0.00 C ATOM 441 O ASP A 196 -8.242 -1.579 -30.851 1.00 0.00 O ATOM 442 CB ASP A 196 -9.912 -1.960 -28.039 1.00 0.00 C ATOM 443 CG ASP A 196 -11.039 -1.649 -27.048 1.00 0.00 C ATOM 444 OD1 ASP A 196 -10.855 -0.703 -26.245 1.00 0.00 O ATOM 445 OD2 ASP A 196 -12.065 -2.368 -27.074 1.00 0.00 O ATOM 0 H ASP A 196 -10.549 -1.769 -30.889 1.00 0.00 H new ATOM 0 HA ASP A 196 -9.935 0.089 -28.708 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -10.087 -2.937 -28.490 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -8.965 -2.021 -27.502 1.00 0.00 H new ATOM 450 N PRO A 197 -7.388 -0.260 -29.230 1.00 0.00 N ATOM 451 CA PRO A 197 -6.054 -0.171 -29.831 1.00 0.00 C ATOM 452 C PRO A 197 -5.348 -1.524 -29.927 1.00 0.00 C ATOM 453 O PRO A 197 -4.837 -1.908 -30.980 1.00 0.00 O ATOM 454 CB PRO A 197 -5.251 0.784 -28.931 1.00 0.00 C ATOM 455 CG PRO A 197 -5.996 0.786 -27.596 1.00 0.00 C ATOM 456 CD PRO A 197 -7.443 0.500 -27.985 1.00 0.00 C ATOM 0 HA PRO A 197 -6.135 0.187 -30.857 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -4.223 0.442 -28.809 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -5.205 1.785 -29.359 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -5.606 0.026 -26.919 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -5.901 1.745 -27.087 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -7.951 -0.067 -27.205 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.000 1.427 -28.119 1.00 0.00 H new ATOM 464 N VAL A 198 -5.323 -2.254 -28.811 1.00 0.00 N ATOM 465 CA VAL A 198 -4.666 -3.561 -28.704 1.00 0.00 C ATOM 466 C VAL A 198 -5.428 -4.614 -29.507 1.00 0.00 C ATOM 467 O VAL A 198 -4.799 -5.437 -30.160 1.00 0.00 O ATOM 468 CB VAL A 198 -4.480 -3.936 -27.221 1.00 0.00 C ATOM 469 CG1 VAL A 198 -3.825 -5.310 -27.037 1.00 0.00 C ATOM 470 CG2 VAL A 198 -3.582 -2.888 -26.538 1.00 0.00 C ATOM 0 H VAL A 198 -5.764 -1.951 -27.943 1.00 0.00 H new ATOM 0 HA VAL A 198 -3.670 -3.511 -29.143 1.00 0.00 H new ATOM 0 HB VAL A 198 -5.474 -3.967 -26.775 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -3.718 -5.523 -25.973 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -4.449 -6.075 -27.499 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -2.842 -5.310 -27.507 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -3.449 -3.151 -25.489 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -2.611 -2.864 -27.032 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -4.050 -1.906 -26.609 1.00 0.00 H new ATOM 480 N MET A 199 -6.764 -4.555 -29.546 1.00 0.00 N ATOM 481 CA MET A 199 -7.597 -5.455 -30.361 1.00 0.00 C ATOM 482 C MET A 199 -7.258 -5.315 -31.854 1.00 0.00 C ATOM 483 O MET A 199 -7.033 -6.318 -32.535 1.00 0.00 O ATOM 484 CB MET A 199 -9.073 -5.123 -30.091 1.00 0.00 C ATOM 485 CG MET A 199 -10.070 -6.058 -30.780 1.00 0.00 C ATOM 486 SD MET A 199 -11.783 -5.478 -30.616 1.00 0.00 S ATOM 487 CE MET A 199 -12.667 -6.861 -31.387 1.00 0.00 C ATOM 0 H MET A 199 -7.305 -3.877 -29.009 1.00 0.00 H new ATOM 0 HA MET A 199 -7.400 -6.492 -30.088 1.00 0.00 H new ATOM 0 HB2 MET A 199 -9.248 -5.154 -29.016 1.00 0.00 H new ATOM 0 HB3 MET A 199 -9.268 -4.101 -30.416 1.00 0.00 H new ATOM 0 HG2 MET A 199 -9.816 -6.141 -31.837 1.00 0.00 H new ATOM 0 HG3 MET A 199 -9.984 -7.057 -30.352 1.00 0.00 H new ATOM 0 HE1 MET A 199 -13.739 -6.663 -31.368 1.00 0.00 H new ATOM 0 HE2 MET A 199 -12.337 -6.974 -32.420 1.00 0.00 H new ATOM 0 HE3 MET A 199 -12.458 -7.778 -30.837 1.00 0.00 H new ATOM 497 N ALA A 200 -7.165 -4.075 -32.350 1.00 0.00 N ATOM 498 CA ALA A 200 -6.772 -3.784 -33.727 1.00 0.00 C ATOM 499 C ALA A 200 -5.352 -4.297 -34.018 1.00 0.00 C ATOM 500 O ALA A 200 -5.135 -5.055 -34.966 1.00 0.00 O ATOM 501 CB ALA A 200 -6.849 -2.266 -33.944 1.00 0.00 C ATOM 0 H ALA A 200 -7.363 -3.240 -31.798 1.00 0.00 H new ATOM 0 HA ALA A 200 -7.449 -4.295 -34.412 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -6.559 -2.030 -34.968 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -7.869 -1.925 -33.768 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -6.174 -1.765 -33.250 1.00 0.00 H new ATOM 507 N GLN A 201 -4.383 -3.900 -33.184 1.00 0.00 N ATOM 508 CA GLN A 201 -2.978 -4.276 -33.340 1.00 0.00 C ATOM 509 C GLN A 201 -2.758 -5.801 -33.308 1.00 0.00 C ATOM 510 O GLN A 201 -2.003 -6.331 -34.125 1.00 0.00 O ATOM 511 CB GLN A 201 -2.150 -3.554 -32.263 1.00 0.00 C ATOM 512 CG GLN A 201 -0.636 -3.723 -32.466 1.00 0.00 C ATOM 513 CD GLN A 201 0.163 -2.911 -31.447 1.00 0.00 C ATOM 514 OE1 GLN A 201 0.282 -1.695 -31.531 1.00 0.00 O ATOM 515 NE2 GLN A 201 0.744 -3.540 -30.445 1.00 0.00 N ATOM 0 H GLN A 201 -4.557 -3.303 -32.375 1.00 0.00 H new ATOM 0 HA GLN A 201 -2.644 -3.962 -34.329 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -2.397 -2.492 -32.272 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -2.426 -3.938 -31.281 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -0.372 -4.777 -32.379 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -0.366 -3.409 -33.474 1.00 0.00 H new ATOM 0 HE21 GLN A 201 0.656 -4.553 -30.359 1.00 0.00 H new ATOM 0 HE22 GLN A 201 1.282 -3.014 -29.756 1.00 0.00 H new ATOM 524 N GLN A 202 -3.429 -6.513 -32.394 1.00 0.00 N ATOM 525 CA GLN A 202 -3.351 -7.972 -32.259 1.00 0.00 C ATOM 526 C GLN A 202 -3.902 -8.688 -33.497 1.00 0.00 C ATOM 527 O GLN A 202 -3.312 -9.677 -33.937 1.00 0.00 O ATOM 528 CB GLN A 202 -4.109 -8.437 -31.000 1.00 0.00 C ATOM 529 CG GLN A 202 -3.345 -8.172 -29.689 1.00 0.00 C ATOM 530 CD GLN A 202 -2.236 -9.185 -29.388 1.00 0.00 C ATOM 531 OE1 GLN A 202 -1.598 -9.760 -30.261 1.00 0.00 O ATOM 532 NE2 GLN A 202 -1.960 -9.454 -28.128 1.00 0.00 N ATOM 0 H GLN A 202 -4.054 -6.081 -31.714 1.00 0.00 H new ATOM 0 HA GLN A 202 -2.298 -8.235 -32.162 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -5.073 -7.930 -30.958 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -4.314 -9.504 -31.082 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -2.907 -7.175 -29.733 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -4.055 -8.172 -28.862 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -2.477 -8.989 -27.382 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -1.229 -10.128 -27.899 1.00 0.00 H new ATOM 541 N HIS A 203 -4.997 -8.193 -34.091 1.00 0.00 N ATOM 542 CA HIS A 203 -5.551 -8.799 -35.304 1.00 0.00 C ATOM 543 C HIS A 203 -4.528 -8.770 -36.449 1.00 0.00 C ATOM 544 O HIS A 203 -4.201 -9.818 -37.000 1.00 0.00 O ATOM 545 CB HIS A 203 -6.865 -8.123 -35.724 1.00 0.00 C ATOM 546 CG HIS A 203 -7.478 -8.818 -36.918 1.00 0.00 C ATOM 547 ND1 HIS A 203 -8.336 -9.898 -36.881 1.00 0.00 N ATOM 548 CD2 HIS A 203 -7.186 -8.585 -38.239 1.00 0.00 C ATOM 549 CE1 HIS A 203 -8.532 -10.319 -38.144 1.00 0.00 C ATOM 550 NE2 HIS A 203 -7.828 -9.565 -39.004 1.00 0.00 N ATOM 0 H HIS A 203 -5.512 -7.380 -33.752 1.00 0.00 H new ATOM 0 HA HIS A 203 -5.777 -9.841 -35.076 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -7.568 -8.138 -34.891 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -6.678 -7.077 -35.965 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -8.750 -10.306 -36.043 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -6.569 -7.785 -38.621 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -9.166 -11.147 -38.426 1.00 0.00 H new ATOM 558 N TYR A 204 -3.983 -7.592 -36.776 1.00 0.00 N ATOM 559 CA TYR A 204 -3.019 -7.379 -37.868 1.00 0.00 C ATOM 560 C TYR A 204 -1.679 -8.152 -37.785 1.00 0.00 C ATOM 561 O TYR A 204 -0.845 -8.016 -38.684 1.00 0.00 O ATOM 562 CB TYR A 204 -2.774 -5.867 -38.028 1.00 0.00 C ATOM 563 CG TYR A 204 -4.011 -5.015 -38.280 1.00 0.00 C ATOM 564 CD1 TYR A 204 -5.012 -5.448 -39.175 1.00 0.00 C ATOM 565 CD2 TYR A 204 -4.148 -3.767 -37.639 1.00 0.00 C ATOM 566 CE1 TYR A 204 -6.150 -4.656 -39.409 1.00 0.00 C ATOM 567 CE2 TYR A 204 -5.282 -2.965 -37.879 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.286 -3.405 -38.769 1.00 0.00 C ATOM 569 OH TYR A 204 -7.358 -2.605 -39.022 1.00 0.00 O ATOM 0 H TYR A 204 -4.206 -6.733 -36.274 1.00 0.00 H new ATOM 0 HA TYR A 204 -3.490 -7.811 -38.751 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -2.282 -5.501 -37.127 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -2.079 -5.717 -38.854 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -4.903 -6.394 -39.684 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -3.381 -3.424 -36.961 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.921 -5.005 -40.079 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -5.383 -2.012 -37.381 1.00 0.00 H new ATOM 0 HH TYR A 204 -7.870 -2.972 -39.773 1.00 0.00 H new ATOM 579 N VAL A 205 -1.451 -8.965 -36.745 1.00 0.00 N ATOM 580 CA VAL A 205 -0.228 -9.773 -36.554 1.00 0.00 C ATOM 581 C VAL A 205 -0.507 -11.223 -36.105 1.00 0.00 C ATOM 582 O VAL A 205 0.416 -12.037 -36.035 1.00 0.00 O ATOM 583 CB VAL A 205 0.736 -9.016 -35.609 1.00 0.00 C ATOM 584 CG1 VAL A 205 0.311 -9.079 -34.137 1.00 0.00 C ATOM 585 CG2 VAL A 205 2.194 -9.471 -35.737 1.00 0.00 C ATOM 0 H VAL A 205 -2.127 -9.086 -35.991 1.00 0.00 H new ATOM 0 HA VAL A 205 0.256 -9.894 -37.523 1.00 0.00 H new ATOM 0 HB VAL A 205 0.672 -7.980 -35.942 1.00 0.00 H new ATOM 0 HG11 VAL A 205 1.028 -8.529 -33.527 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -0.678 -8.634 -34.024 1.00 0.00 H new ATOM 0 HG13 VAL A 205 0.280 -10.119 -33.811 1.00 0.00 H new ATOM 0 HG21 VAL A 205 2.815 -8.900 -35.047 1.00 0.00 H new ATOM 0 HG22 VAL A 205 2.266 -10.532 -35.497 1.00 0.00 H new ATOM 0 HG23 VAL A 205 2.539 -9.305 -36.758 1.00 0.00 H new ATOM 595 N GLY A 206 -1.765 -11.583 -35.823 1.00 0.00 N ATOM 596 CA GLY A 206 -2.153 -12.926 -35.370 1.00 0.00 C ATOM 597 C GLY A 206 -2.221 -13.986 -36.479 1.00 0.00 C ATOM 598 O GLY A 206 -2.398 -13.676 -37.661 1.00 0.00 O ATOM 0 H GLY A 206 -2.554 -10.941 -35.904 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.443 -13.258 -34.613 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.128 -12.863 -34.887 1.00 0.00 H new ATOM 602 N LYS A 207 -2.112 -15.266 -36.097 1.00 0.00 N ATOM 603 CA LYS A 207 -2.160 -16.420 -37.020 1.00 0.00 C ATOM 604 C LYS A 207 -3.456 -16.478 -37.842 1.00 0.00 C ATOM 605 O LYS A 207 -3.413 -16.784 -39.033 1.00 0.00 O ATOM 606 CB LYS A 207 -1.905 -17.711 -36.219 1.00 0.00 C ATOM 607 CG LYS A 207 -1.780 -18.953 -37.121 1.00 0.00 C ATOM 608 CD LYS A 207 -1.372 -20.220 -36.355 1.00 0.00 C ATOM 609 CE LYS A 207 0.065 -20.142 -35.822 1.00 0.00 C ATOM 610 NZ LYS A 207 0.454 -21.400 -35.151 1.00 0.00 N ATOM 0 H LYS A 207 -1.986 -15.538 -35.122 1.00 0.00 H new ATOM 0 HA LYS A 207 -1.371 -16.304 -37.764 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -0.992 -17.597 -35.635 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -2.720 -17.862 -35.511 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -2.733 -19.129 -37.620 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -1.044 -18.755 -37.901 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -2.058 -20.375 -35.522 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -1.467 -21.085 -37.011 1.00 0.00 H new ATOM 0 HE2 LYS A 207 0.750 -19.938 -36.645 1.00 0.00 H new ATOM 0 HE3 LYS A 207 0.152 -19.311 -35.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 1.430 -21.319 -34.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -0.187 -21.580 -34.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 0.393 -22.187 -35.828 1.00 0.00 H new ATOM 624 N LYS A 208 -4.603 -16.138 -37.241 1.00 0.00 N ATOM 625 CA LYS A 208 -5.909 -16.105 -37.929 1.00 0.00 C ATOM 626 C LYS A 208 -5.926 -15.111 -39.101 1.00 0.00 C ATOM 627 O LYS A 208 -6.439 -15.444 -40.167 1.00 0.00 O ATOM 628 CB LYS A 208 -7.019 -15.828 -36.900 1.00 0.00 C ATOM 629 CG LYS A 208 -8.424 -15.966 -37.511 1.00 0.00 C ATOM 630 CD LYS A 208 -9.536 -16.013 -36.452 1.00 0.00 C ATOM 631 CE LYS A 208 -9.606 -14.733 -35.610 1.00 0.00 C ATOM 632 NZ LYS A 208 -10.695 -14.814 -34.614 1.00 0.00 N ATOM 0 H LYS A 208 -4.656 -15.875 -36.257 1.00 0.00 H new ATOM 0 HA LYS A 208 -6.093 -17.080 -38.380 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -6.918 -16.520 -36.064 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -6.897 -14.822 -36.498 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -8.606 -15.128 -38.184 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.465 -16.873 -38.114 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -10.495 -16.172 -36.945 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -9.370 -16.867 -35.795 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -8.655 -14.575 -35.102 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -9.767 -13.873 -36.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -10.722 -13.936 -34.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -11.604 -14.942 -35.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -10.527 -15.621 -33.980 1.00 0.00 H new ATOM 646 N HIS A 209 -5.305 -13.937 -38.937 1.00 0.00 N ATOM 647 CA HIS A 209 -5.170 -12.922 -39.993 1.00 0.00 C ATOM 648 C HIS A 209 -4.268 -13.436 -41.119 1.00 0.00 C ATOM 649 O HIS A 209 -4.626 -13.323 -42.288 1.00 0.00 O ATOM 650 CB HIS A 209 -4.655 -11.621 -39.369 1.00 0.00 C ATOM 651 CG HIS A 209 -4.277 -10.518 -40.335 1.00 0.00 C ATOM 652 ND1 HIS A 209 -5.150 -9.637 -40.985 1.00 0.00 N ATOM 653 CD2 HIS A 209 -2.995 -10.171 -40.648 1.00 0.00 C ATOM 654 CE1 HIS A 209 -4.372 -8.802 -41.693 1.00 0.00 C ATOM 655 NE2 HIS A 209 -3.073 -9.100 -41.512 1.00 0.00 N ATOM 0 H HIS A 209 -4.875 -13.660 -38.055 1.00 0.00 H new ATOM 0 HA HIS A 209 -6.140 -12.717 -40.447 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -5.421 -11.238 -38.695 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -3.783 -11.856 -38.759 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -2.093 -10.644 -40.288 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -4.738 -8.003 -42.320 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -2.283 -8.617 -41.940 1.00 0.00 H new ATOM 663 N ARG A 210 -3.142 -14.090 -40.787 1.00 0.00 N ATOM 664 CA ARG A 210 -2.247 -14.733 -41.772 1.00 0.00 C ATOM 665 C ARG A 210 -3.010 -15.766 -42.614 1.00 0.00 C ATOM 666 O ARG A 210 -2.946 -15.719 -43.842 1.00 0.00 O ATOM 667 CB ARG A 210 -1.040 -15.384 -41.063 1.00 0.00 C ATOM 668 CG ARG A 210 0.199 -14.494 -40.866 1.00 0.00 C ATOM 669 CD ARG A 210 -0.058 -13.096 -40.282 1.00 0.00 C ATOM 670 NE ARG A 210 -0.182 -12.085 -41.351 1.00 0.00 N ATOM 671 CZ ARG A 210 0.376 -10.885 -41.384 1.00 0.00 C ATOM 672 NH1 ARG A 210 1.095 -10.405 -40.403 1.00 0.00 N ATOM 673 NH2 ARG A 210 0.213 -10.125 -42.430 1.00 0.00 N ATOM 0 H ARG A 210 -2.823 -14.190 -39.823 1.00 0.00 H new ATOM 0 HA ARG A 210 -1.873 -13.963 -42.446 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -1.367 -15.735 -40.084 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -0.742 -16.263 -41.634 1.00 0.00 H new ATOM 0 HG2 ARG A 210 0.896 -15.017 -40.211 1.00 0.00 H new ATOM 0 HG3 ARG A 210 0.694 -14.377 -41.830 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -0.969 -13.111 -39.684 1.00 0.00 H new ATOM 0 HD3 ARG A 210 0.758 -12.823 -39.613 1.00 0.00 H new ATOM 0 HE ARG A 210 -0.761 -12.339 -42.152 1.00 0.00 H new ATOM 0 HH11 ARG A 210 1.248 -10.962 -39.562 1.00 0.00 H new ATOM 0 HH12 ARG A 210 1.503 -9.473 -40.478 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -0.343 -10.455 -43.219 1.00 0.00 H new ATOM 0 HH22 ARG A 210 0.641 -9.200 -42.460 1.00 0.00 H new ATOM 687 N LYS A 211 -3.763 -16.671 -41.973 1.00 0.00 N ATOM 688 CA LYS A 211 -4.576 -17.697 -42.657 1.00 0.00 C ATOM 689 C LYS A 211 -5.659 -17.081 -43.550 1.00 0.00 C ATOM 690 O LYS A 211 -5.731 -17.426 -44.728 1.00 0.00 O ATOM 691 CB LYS A 211 -5.183 -18.678 -41.632 1.00 0.00 C ATOM 692 CG LYS A 211 -4.335 -19.945 -41.421 1.00 0.00 C ATOM 693 CD LYS A 211 -2.916 -19.678 -40.893 1.00 0.00 C ATOM 694 CE LYS A 211 -2.159 -20.977 -40.591 1.00 0.00 C ATOM 695 NZ LYS A 211 -1.866 -21.745 -41.821 1.00 0.00 N ATOM 0 H LYS A 211 -3.828 -16.715 -40.956 1.00 0.00 H new ATOM 0 HA LYS A 211 -3.911 -18.255 -43.316 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -5.302 -18.166 -40.677 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -6.180 -18.968 -41.964 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -4.852 -20.602 -40.721 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -4.263 -20.481 -42.367 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -2.359 -19.097 -41.628 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -2.974 -19.074 -39.988 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -1.226 -20.742 -40.079 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -2.750 -21.592 -39.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -1.310 -22.590 -41.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -2.758 -22.035 -42.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -1.324 -21.151 -42.480 1.00 0.00 H new ATOM 709 N GLN A 212 -6.474 -16.162 -43.030 1.00 0.00 N ATOM 710 CA GLN A 212 -7.531 -15.496 -43.807 1.00 0.00 C ATOM 711 C GLN A 212 -6.969 -14.682 -44.986 1.00 0.00 C ATOM 712 O GLN A 212 -7.517 -14.746 -46.088 1.00 0.00 O ATOM 713 CB GLN A 212 -8.371 -14.605 -42.880 1.00 0.00 C ATOM 714 CG GLN A 212 -9.298 -15.384 -41.933 1.00 0.00 C ATOM 715 CD GLN A 212 -10.491 -15.997 -42.663 1.00 0.00 C ATOM 716 OE1 GLN A 212 -10.450 -17.119 -43.150 1.00 0.00 O ATOM 717 NE2 GLN A 212 -11.599 -15.292 -42.771 1.00 0.00 N ATOM 0 H GLN A 212 -6.423 -15.855 -42.058 1.00 0.00 H new ATOM 0 HA GLN A 212 -8.165 -16.271 -44.239 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -7.701 -13.984 -42.286 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -8.974 -13.932 -43.489 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -8.730 -16.174 -41.442 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -9.658 -14.716 -41.150 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -11.649 -14.355 -42.370 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -12.407 -15.683 -43.255 1.00 0.00 H new ATOM 726 N GLU A 213 -5.847 -13.980 -44.794 1.00 0.00 N ATOM 727 CA GLU A 213 -5.140 -13.249 -45.851 1.00 0.00 C ATOM 728 C GLU A 213 -4.736 -14.211 -46.979 1.00 0.00 C ATOM 729 O GLU A 213 -5.016 -13.936 -48.145 1.00 0.00 O ATOM 730 CB GLU A 213 -3.932 -12.521 -45.236 1.00 0.00 C ATOM 731 CG GLU A 213 -2.997 -11.857 -46.253 1.00 0.00 C ATOM 732 CD GLU A 213 -1.987 -10.940 -45.547 1.00 0.00 C ATOM 733 OE1 GLU A 213 -1.252 -11.434 -44.656 1.00 0.00 O ATOM 734 OE2 GLU A 213 -1.940 -9.736 -45.895 1.00 0.00 O ATOM 0 H GLU A 213 -5.396 -13.903 -43.882 1.00 0.00 H new ATOM 0 HA GLU A 213 -5.793 -12.498 -46.296 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -4.297 -11.759 -44.547 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -3.357 -13.235 -44.646 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -2.466 -12.622 -46.820 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -3.582 -11.279 -46.968 1.00 0.00 H new ATOM 741 N THR A 214 -4.144 -15.366 -46.646 1.00 0.00 N ATOM 742 CA THR A 214 -3.797 -16.406 -47.627 1.00 0.00 C ATOM 743 C THR A 214 -5.045 -16.941 -48.338 1.00 0.00 C ATOM 744 O THR A 214 -5.030 -17.049 -49.564 1.00 0.00 O ATOM 745 CB THR A 214 -3.013 -17.557 -46.969 1.00 0.00 C ATOM 746 OG1 THR A 214 -1.781 -17.083 -46.465 1.00 0.00 O ATOM 747 CG2 THR A 214 -2.677 -18.700 -47.929 1.00 0.00 C ATOM 0 H THR A 214 -3.891 -15.607 -45.688 1.00 0.00 H new ATOM 0 HA THR A 214 -3.154 -15.943 -48.376 1.00 0.00 H new ATOM 0 HB THR A 214 -3.668 -17.935 -46.184 1.00 0.00 H new ATOM 0 HG1 THR A 214 -1.931 -16.623 -45.613 1.00 0.00 H new ATOM 0 HG21 THR A 214 -2.125 -19.473 -47.395 1.00 0.00 H new ATOM 0 HG22 THR A 214 -3.599 -19.123 -48.328 1.00 0.00 H new ATOM 0 HG23 THR A 214 -2.067 -18.319 -48.749 1.00 0.00 H new ATOM 755 N LYS A 215 -6.142 -17.239 -47.622 1.00 0.00 N ATOM 756 CA LYS A 215 -7.392 -17.734 -48.234 1.00 0.00 C ATOM 757 C LYS A 215 -7.977 -16.746 -49.247 1.00 0.00 C ATOM 758 O LYS A 215 -8.286 -17.146 -50.370 1.00 0.00 O ATOM 759 CB LYS A 215 -8.429 -18.087 -47.149 1.00 0.00 C ATOM 760 CG LYS A 215 -8.080 -19.332 -46.315 1.00 0.00 C ATOM 761 CD LYS A 215 -8.142 -20.642 -47.119 1.00 0.00 C ATOM 762 CE LYS A 215 -7.923 -21.867 -46.222 1.00 0.00 C ATOM 763 NZ LYS A 215 -6.548 -21.913 -45.677 1.00 0.00 N ATOM 0 H LYS A 215 -6.190 -17.145 -46.607 1.00 0.00 H new ATOM 0 HA LYS A 215 -7.141 -18.640 -48.785 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -8.539 -17.235 -46.478 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.396 -18.244 -47.626 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -7.078 -19.215 -45.902 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -8.767 -19.399 -45.471 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -9.110 -20.721 -47.613 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -7.385 -20.624 -47.903 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -8.639 -21.848 -45.400 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -8.118 -22.775 -46.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -6.425 -22.781 -45.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -5.864 -21.906 -46.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -6.388 -21.084 -45.069 1.00 0.00 H new ATOM 777 N LEU A 216 -8.100 -15.463 -48.895 1.00 0.00 N ATOM 778 CA LEU A 216 -8.620 -14.438 -49.811 1.00 0.00 C ATOM 779 C LEU A 216 -7.656 -14.176 -50.983 1.00 0.00 C ATOM 780 O LEU A 216 -8.104 -14.052 -52.125 1.00 0.00 O ATOM 781 CB LEU A 216 -8.984 -13.170 -49.018 1.00 0.00 C ATOM 782 CG LEU A 216 -9.728 -12.130 -49.887 1.00 0.00 C ATOM 783 CD1 LEU A 216 -10.880 -11.484 -49.117 1.00 0.00 C ATOM 784 CD2 LEU A 216 -8.791 -11.018 -50.363 1.00 0.00 C ATOM 0 H LEU A 216 -7.845 -15.105 -47.975 1.00 0.00 H new ATOM 0 HA LEU A 216 -9.536 -14.803 -50.276 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.608 -13.443 -48.167 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -8.075 -12.722 -48.616 1.00 0.00 H new ATOM 0 HG LEU A 216 -10.116 -12.674 -50.748 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -11.383 -10.758 -49.756 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -11.590 -12.253 -48.813 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -10.489 -10.980 -48.233 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -9.350 -10.306 -50.971 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -8.368 -10.504 -49.500 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -7.987 -11.450 -50.958 1.00 0.00 H new ATOM 796 N LYS A 217 -6.338 -14.150 -50.736 1.00 0.00 N ATOM 797 CA LYS A 217 -5.314 -13.996 -51.785 1.00 0.00 C ATOM 798 C LYS A 217 -5.399 -15.137 -52.805 1.00 0.00 C ATOM 799 O LYS A 217 -5.409 -14.880 -54.008 1.00 0.00 O ATOM 800 CB LYS A 217 -3.928 -13.892 -51.128 1.00 0.00 C ATOM 801 CG LYS A 217 -2.795 -13.693 -52.148 1.00 0.00 C ATOM 802 CD LYS A 217 -1.445 -13.377 -51.480 1.00 0.00 C ATOM 803 CE LYS A 217 -0.979 -14.422 -50.455 1.00 0.00 C ATOM 804 NZ LYS A 217 -0.784 -15.753 -51.069 1.00 0.00 N ATOM 0 H LYS A 217 -5.948 -14.236 -49.797 1.00 0.00 H new ATOM 0 HA LYS A 217 -5.492 -13.076 -52.342 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.927 -13.060 -50.424 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -3.736 -14.797 -50.552 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.694 -14.594 -52.754 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -3.060 -12.881 -52.825 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -0.684 -13.283 -52.255 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -1.517 -12.409 -50.985 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.045 -14.092 -50.001 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -1.714 -14.497 -49.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -0.470 -16.428 -50.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -1.681 -16.080 -51.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.064 -15.688 -51.816 1.00 0.00 H new ATOM 818 N LEU A 218 -5.525 -16.385 -52.342 1.00 0.00 N ATOM 819 CA LEU A 218 -5.707 -17.556 -53.207 1.00 0.00 C ATOM 820 C LEU A 218 -7.031 -17.469 -53.982 1.00 0.00 C ATOM 821 O LEU A 218 -7.040 -17.706 -55.188 1.00 0.00 O ATOM 822 CB LEU A 218 -5.629 -18.852 -52.379 1.00 0.00 C ATOM 823 CG LEU A 218 -4.211 -19.216 -51.896 1.00 0.00 C ATOM 824 CD1 LEU A 218 -4.292 -20.403 -50.935 1.00 0.00 C ATOM 825 CD2 LEU A 218 -3.281 -19.605 -53.050 1.00 0.00 C ATOM 0 H LEU A 218 -5.503 -16.613 -51.348 1.00 0.00 H new ATOM 0 HA LEU A 218 -4.900 -17.571 -53.939 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -6.281 -18.754 -51.511 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.018 -19.675 -52.978 1.00 0.00 H new ATOM 0 HG LEU A 218 -3.803 -18.331 -51.408 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -3.290 -20.662 -50.592 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -4.911 -20.136 -50.079 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -4.732 -21.258 -51.449 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -2.295 -19.852 -52.656 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -3.690 -20.470 -53.571 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -3.195 -18.770 -53.745 1.00 0.00 H new ATOM 837 N MET A 219 -8.135 -17.082 -53.331 1.00 0.00 N ATOM 838 CA MET A 219 -9.439 -16.903 -53.989 1.00 0.00 C ATOM 839 C MET A 219 -9.348 -15.913 -55.167 1.00 0.00 C ATOM 840 O MET A 219 -9.888 -16.181 -56.242 1.00 0.00 O ATOM 841 CB MET A 219 -10.481 -16.467 -52.946 1.00 0.00 C ATOM 842 CG MET A 219 -11.908 -16.457 -53.507 1.00 0.00 C ATOM 843 SD MET A 219 -13.182 -15.891 -52.340 1.00 0.00 S ATOM 844 CE MET A 219 -13.164 -17.243 -51.128 1.00 0.00 C ATOM 0 H MET A 219 -8.151 -16.883 -52.331 1.00 0.00 H new ATOM 0 HA MET A 219 -9.755 -17.854 -54.416 1.00 0.00 H new ATOM 0 HB2 MET A 219 -10.436 -17.140 -52.090 1.00 0.00 H new ATOM 0 HB3 MET A 219 -10.231 -15.471 -52.582 1.00 0.00 H new ATOM 0 HG2 MET A 219 -11.932 -15.816 -54.388 1.00 0.00 H new ATOM 0 HG3 MET A 219 -12.160 -17.464 -53.838 1.00 0.00 H new ATOM 0 HE1 MET A 219 -13.999 -17.124 -50.438 1.00 0.00 H new ATOM 0 HE2 MET A 219 -13.255 -18.198 -51.646 1.00 0.00 H new ATOM 0 HE3 MET A 219 -12.227 -17.220 -50.572 1.00 0.00 H new ATOM 854 N ALA A 220 -8.623 -14.800 -54.993 1.00 0.00 N ATOM 855 CA ALA A 220 -8.380 -13.815 -56.049 1.00 0.00 C ATOM 856 C ALA A 220 -7.449 -14.368 -57.153 1.00 0.00 C ATOM 857 O ALA A 220 -7.736 -14.214 -58.343 1.00 0.00 O ATOM 858 CB ALA A 220 -7.804 -12.548 -55.404 1.00 0.00 C ATOM 0 H ALA A 220 -8.185 -14.558 -54.104 1.00 0.00 H new ATOM 0 HA ALA A 220 -9.321 -13.578 -56.545 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -7.616 -11.801 -56.175 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -8.517 -12.152 -54.681 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -6.870 -12.790 -54.897 1.00 0.00 H new ATOM 864 N ARG A 221 -6.353 -15.046 -56.773 1.00 0.00 N ATOM 865 CA ARG A 221 -5.369 -15.672 -57.682 1.00 0.00 C ATOM 866 C ARG A 221 -6.004 -16.710 -58.617 1.00 0.00 C ATOM 867 O ARG A 221 -5.666 -16.757 -59.799 1.00 0.00 O ATOM 868 CB ARG A 221 -4.224 -16.250 -56.825 1.00 0.00 C ATOM 869 CG ARG A 221 -3.060 -16.897 -57.596 1.00 0.00 C ATOM 870 CD ARG A 221 -3.268 -18.398 -57.856 1.00 0.00 C ATOM 871 NE ARG A 221 -2.070 -19.016 -58.454 1.00 0.00 N ATOM 872 CZ ARG A 221 -1.036 -19.529 -57.804 1.00 0.00 C ATOM 873 NH1 ARG A 221 -0.948 -19.541 -56.499 1.00 0.00 N ATOM 874 NH2 ARG A 221 -0.040 -20.049 -58.468 1.00 0.00 N ATOM 0 H ARG A 221 -6.116 -15.180 -55.790 1.00 0.00 H new ATOM 0 HA ARG A 221 -4.964 -14.917 -58.356 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -3.821 -15.449 -56.205 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -4.644 -16.995 -56.149 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -2.934 -16.384 -58.549 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -2.137 -16.756 -57.033 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -3.508 -18.900 -56.919 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -4.121 -18.538 -58.520 1.00 0.00 H new ATOM 0 HE ARG A 221 -2.034 -19.052 -59.473 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -1.698 -19.143 -55.934 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -0.130 -19.949 -56.047 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -0.058 -20.060 -59.488 1.00 0.00 H new ATOM 0 HH22 ARG A 221 0.756 -20.444 -57.967 1.00 0.00 H new ATOM 888 N TYR A 222 -6.942 -17.509 -58.106 1.00 0.00 N ATOM 889 CA TYR A 222 -7.698 -18.524 -58.858 1.00 0.00 C ATOM 890 C TYR A 222 -8.918 -17.949 -59.623 1.00 0.00 C ATOM 891 O TYR A 222 -9.733 -18.709 -60.155 1.00 0.00 O ATOM 892 CB TYR A 222 -8.079 -19.675 -57.904 1.00 0.00 C ATOM 893 CG TYR A 222 -6.978 -20.711 -57.733 1.00 0.00 C ATOM 894 CD1 TYR A 222 -5.958 -20.533 -56.776 1.00 0.00 C ATOM 895 CD2 TYR A 222 -6.971 -21.859 -58.550 1.00 0.00 C ATOM 896 CE1 TYR A 222 -4.940 -21.496 -56.635 1.00 0.00 C ATOM 897 CE2 TYR A 222 -5.957 -22.827 -58.411 1.00 0.00 C ATOM 898 CZ TYR A 222 -4.937 -22.647 -57.451 1.00 0.00 C ATOM 899 OH TYR A 222 -3.952 -23.576 -57.304 1.00 0.00 O ATOM 0 H TYR A 222 -7.209 -17.469 -57.122 1.00 0.00 H new ATOM 0 HA TYR A 222 -7.053 -18.913 -59.646 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -8.331 -19.259 -56.928 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -8.975 -20.168 -58.281 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -5.957 -19.654 -56.148 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -7.748 -21.998 -59.287 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -4.161 -21.353 -55.901 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.960 -23.706 -59.038 1.00 0.00 H new ATOM 0 HH TYR A 222 -4.095 -24.308 -57.940 1.00 0.00 H new ATOM 909 N GLY A 223 -9.059 -16.618 -59.701 1.00 0.00 N ATOM 910 CA GLY A 223 -10.139 -15.924 -60.417 1.00 0.00 C ATOM 911 C GLY A 223 -10.095 -16.069 -61.951 1.00 0.00 C ATOM 912 O GLY A 223 -9.205 -16.713 -62.516 1.00 0.00 O ATOM 0 H GLY A 223 -8.405 -15.975 -59.254 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -11.096 -16.303 -60.058 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -10.101 -14.864 -60.165 1.00 0.00 H new ATOM 916 N ARG A 224 -11.075 -15.453 -62.628 1.00 0.00 N ATOM 917 CA ARG A 224 -11.261 -15.453 -64.098 1.00 0.00 C ATOM 918 C ARG A 224 -9.984 -15.056 -64.858 1.00 0.00 C ATOM 919 O ARG A 224 -9.535 -13.911 -64.770 1.00 0.00 O ATOM 920 CB ARG A 224 -12.429 -14.515 -64.469 1.00 0.00 C ATOM 921 CG ARG A 224 -13.799 -15.045 -64.006 1.00 0.00 C ATOM 922 CD ARG A 224 -14.894 -13.969 -64.070 1.00 0.00 C ATOM 923 NE ARG A 224 -15.155 -13.488 -65.442 1.00 0.00 N ATOM 924 CZ ARG A 224 -16.090 -13.924 -66.270 1.00 0.00 C ATOM 925 NH1 ARG A 224 -16.862 -14.944 -66.001 1.00 0.00 N ATOM 926 NH2 ARG A 224 -16.264 -13.340 -67.424 1.00 0.00 N ATOM 0 H ARG A 224 -11.797 -14.914 -62.149 1.00 0.00 H new ATOM 0 HA ARG A 224 -11.495 -16.473 -64.402 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -12.256 -13.535 -64.024 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -12.446 -14.376 -65.550 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -14.088 -15.891 -64.629 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -13.716 -15.415 -62.984 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -15.816 -14.372 -63.651 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -14.603 -13.125 -63.445 1.00 0.00 H new ATOM 0 HE ARG A 224 -14.551 -12.742 -65.787 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -16.758 -15.443 -65.118 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -17.569 -15.240 -66.674 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -15.679 -12.547 -67.688 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -16.985 -13.676 -68.062 1.00 0.00 H new ATOM 940 N LEU A 225 -9.407 -16.001 -65.609 1.00 0.00 N ATOM 941 CA LEU A 225 -8.186 -15.805 -66.409 1.00 0.00 C ATOM 942 C LEU A 225 -8.390 -14.814 -67.574 1.00 0.00 C ATOM 943 O LEU A 225 -7.509 -14.003 -67.866 1.00 0.00 O ATOM 944 CB LEU A 225 -7.730 -17.189 -66.918 1.00 0.00 C ATOM 945 CG LEU A 225 -6.436 -17.194 -67.758 1.00 0.00 C ATOM 946 CD1 LEU A 225 -5.221 -16.698 -66.970 1.00 0.00 C ATOM 947 CD2 LEU A 225 -6.142 -18.618 -68.235 1.00 0.00 C ATOM 0 H LEU A 225 -9.783 -16.947 -65.681 1.00 0.00 H new ATOM 0 HA LEU A 225 -7.415 -15.356 -65.782 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -7.587 -17.844 -66.058 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -8.533 -17.619 -67.517 1.00 0.00 H new ATOM 0 HG LEU A 225 -6.601 -16.517 -68.596 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -4.338 -16.722 -67.609 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -5.398 -15.676 -66.634 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -5.061 -17.342 -66.105 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -5.228 -18.621 -68.828 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -6.017 -19.272 -67.372 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -6.972 -18.976 -68.845 1.00 0.00 H new ATOM 959 N ALA A 226 -9.559 -14.877 -68.220 1.00 0.00 N ATOM 960 CA ALA A 226 -9.963 -14.017 -69.341 1.00 0.00 C ATOM 961 C ALA A 226 -11.497 -13.920 -69.503 1.00 0.00 C ATOM 962 O ALA A 226 -12.015 -12.880 -69.914 1.00 0.00 O ATOM 963 CB ALA A 226 -9.333 -14.570 -70.629 1.00 0.00 C ATOM 0 H ALA A 226 -10.279 -15.554 -67.968 1.00 0.00 H new ATOM 0 HA ALA A 226 -9.611 -13.006 -69.135 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -9.622 -13.944 -71.473 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -8.247 -14.570 -70.532 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -9.682 -15.589 -70.797 1.00 0.00 H new ATOM 969 N ASP A 227 -12.227 -14.992 -69.171 1.00 0.00 N ATOM 970 CA ASP A 227 -13.693 -15.092 -69.247 1.00 0.00 C ATOM 971 C ASP A 227 -14.262 -16.068 -68.199 1.00 0.00 C ATOM 972 O ASP A 227 -13.533 -16.884 -67.616 1.00 0.00 O ATOM 973 CB ASP A 227 -14.122 -15.505 -70.667 1.00 0.00 C ATOM 974 CG ASP A 227 -13.686 -16.927 -71.047 1.00 0.00 C ATOM 975 OD1 ASP A 227 -12.554 -17.081 -71.566 1.00 0.00 O ATOM 976 OD2 ASP A 227 -14.489 -17.863 -70.821 1.00 0.00 O ATOM 0 H ASP A 227 -11.796 -15.850 -68.827 1.00 0.00 H new ATOM 0 HA ASP A 227 -14.104 -14.108 -69.022 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -15.207 -15.432 -70.746 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -13.702 -14.800 -71.385 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -7.203 -9.405 -40.968 1.00 0.00 ZN