USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=10 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 28:sc= 0.0112 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0.00884 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.066) USER MOD Single : A 177 ASN : amide:sc= 0.13 K(o=0.13,f=-3.4!) USER MOD Single : A 180 MET CE :methyl -174:sc= 0 (180deg=-0.0247) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0.0859 X(o=0.086,f=-0.0082) 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= -0.0641 X(o=-0.064,f=-0.092) USER MOD Single : A 204 TYR OH : rot -11:sc= 0.079 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0596) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 214 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0918) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 13.413 -4.212 -16.809 1.00 0.00 N ATOM 2 CA SER A 168 12.456 -5.285 -16.504 1.00 0.00 C ATOM 3 C SER A 168 11.665 -5.737 -17.745 1.00 0.00 C ATOM 4 O SER A 168 11.627 -5.046 -18.767 1.00 0.00 O ATOM 5 CB SER A 168 11.486 -4.837 -15.398 1.00 0.00 C ATOM 6 OG SER A 168 12.172 -4.624 -14.170 1.00 0.00 O ATOM 0 HA SER A 168 13.036 -6.140 -16.158 1.00 0.00 H new ATOM 0 HB2 SER A 168 10.983 -3.919 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 168 10.713 -5.593 -15.260 1.00 0.00 H new ATOM 0 HG SER A 168 13.103 -4.377 -14.354 1.00 0.00 H new ATOM 12 N THR A 169 11.013 -6.901 -17.659 1.00 0.00 N ATOM 13 CA THR A 169 10.200 -7.507 -18.738 1.00 0.00 C ATOM 14 C THR A 169 8.843 -6.827 -18.989 1.00 0.00 C ATOM 15 O THR A 169 8.212 -7.101 -20.015 1.00 0.00 O ATOM 16 CB THR A 169 9.950 -8.998 -18.447 1.00 0.00 C ATOM 17 OG1 THR A 169 9.464 -9.165 -17.128 1.00 0.00 O ATOM 18 CG2 THR A 169 11.234 -9.819 -18.573 1.00 0.00 C ATOM 0 H THR A 169 11.032 -7.471 -16.814 1.00 0.00 H new ATOM 0 HA THR A 169 10.793 -7.367 -19.642 1.00 0.00 H new ATOM 0 HB THR A 169 9.220 -9.345 -19.178 1.00 0.00 H new ATOM 0 HG1 THR A 169 9.307 -10.117 -16.955 1.00 0.00 H new ATOM 0 HG21 THR A 169 11.019 -10.866 -18.361 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.626 -9.727 -19.586 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.973 -9.449 -17.863 1.00 0.00 H new ATOM 26 N LYS A 170 8.399 -5.934 -18.086 1.00 0.00 N ATOM 27 CA LYS A 170 7.119 -5.186 -18.123 1.00 0.00 C ATOM 28 C LYS A 170 5.873 -6.101 -18.114 1.00 0.00 C ATOM 29 O LYS A 170 5.976 -7.319 -17.941 1.00 0.00 O ATOM 30 CB LYS A 170 7.128 -4.153 -19.276 1.00 0.00 C ATOM 31 CG LYS A 170 8.291 -3.149 -19.165 1.00 0.00 C ATOM 32 CD LYS A 170 8.255 -2.066 -20.253 1.00 0.00 C ATOM 33 CE LYS A 170 8.491 -2.647 -21.652 1.00 0.00 C ATOM 34 NZ LYS A 170 8.514 -1.582 -22.676 1.00 0.00 N ATOM 0 H LYS A 170 8.952 -5.698 -17.262 1.00 0.00 H new ATOM 0 HA LYS A 170 7.037 -4.626 -17.191 1.00 0.00 H new ATOM 0 HB2 LYS A 170 7.197 -4.678 -20.229 1.00 0.00 H new ATOM 0 HB3 LYS A 170 6.183 -3.610 -19.279 1.00 0.00 H new ATOM 0 HG2 LYS A 170 8.260 -2.673 -18.185 1.00 0.00 H new ATOM 0 HG3 LYS A 170 9.236 -3.688 -19.228 1.00 0.00 H new ATOM 0 HD2 LYS A 170 7.290 -1.560 -20.229 1.00 0.00 H new ATOM 0 HD3 LYS A 170 9.014 -1.314 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 170 9.435 -3.191 -21.668 1.00 0.00 H new ATOM 0 HE3 LYS A 170 7.705 -3.365 -21.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 8.675 -2.004 -23.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 7.603 -1.080 -22.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 9.280 -0.911 -22.462 1.00 0.00 H new ATOM 48 N VAL A 171 4.681 -5.512 -18.251 1.00 0.00 N ATOM 49 CA VAL A 171 3.378 -6.209 -18.222 1.00 0.00 C ATOM 50 C VAL A 171 2.339 -5.504 -19.109 1.00 0.00 C ATOM 51 O VAL A 171 2.375 -4.285 -19.281 1.00 0.00 O ATOM 52 CB VAL A 171 2.900 -6.350 -16.755 1.00 0.00 C ATOM 53 CG1 VAL A 171 2.638 -5.009 -16.054 1.00 0.00 C ATOM 54 CG2 VAL A 171 1.648 -7.223 -16.614 1.00 0.00 C ATOM 0 H VAL A 171 4.586 -4.506 -18.390 1.00 0.00 H new ATOM 0 HA VAL A 171 3.500 -7.209 -18.639 1.00 0.00 H new ATOM 0 HB VAL A 171 3.740 -6.839 -16.262 1.00 0.00 H new ATOM 0 HG11 VAL A 171 2.307 -5.191 -15.032 1.00 0.00 H new ATOM 0 HG12 VAL A 171 3.556 -4.421 -16.039 1.00 0.00 H new ATOM 0 HG13 VAL A 171 1.865 -4.461 -16.593 1.00 0.00 H new ATOM 0 HG21 VAL A 171 1.363 -7.283 -15.564 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.832 -6.783 -17.187 1.00 0.00 H new ATOM 0 HG23 VAL A 171 1.858 -8.224 -16.991 1.00 0.00 H new ATOM 64 N GLU A 172 1.409 -6.276 -19.681 1.00 0.00 N ATOM 65 CA GLU A 172 0.330 -5.797 -20.571 1.00 0.00 C ATOM 66 C GLU A 172 -0.992 -6.571 -20.333 1.00 0.00 C ATOM 67 O GLU A 172 -1.798 -6.784 -21.240 1.00 0.00 O ATOM 68 CB GLU A 172 0.824 -5.854 -22.032 1.00 0.00 C ATOM 69 CG GLU A 172 0.085 -4.870 -22.953 1.00 0.00 C ATOM 70 CD GLU A 172 0.652 -4.920 -24.377 1.00 0.00 C ATOM 71 OE1 GLU A 172 0.165 -5.755 -25.179 1.00 0.00 O ATOM 72 OE2 GLU A 172 1.576 -4.124 -24.673 1.00 0.00 O ATOM 0 H GLU A 172 1.380 -7.285 -19.537 1.00 0.00 H new ATOM 0 HA GLU A 172 0.092 -4.759 -20.340 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.892 -5.636 -22.058 1.00 0.00 H new ATOM 0 HB3 GLU A 172 0.696 -6.867 -22.414 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.978 -5.112 -22.972 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.175 -3.858 -22.557 1.00 0.00 H new ATOM 79 N ALA A 173 -1.212 -7.021 -19.092 1.00 0.00 N ATOM 80 CA ALA A 173 -2.384 -7.774 -18.633 1.00 0.00 C ATOM 81 C ALA A 173 -3.643 -6.883 -18.482 1.00 0.00 C ATOM 82 O ALA A 173 -4.185 -6.716 -17.386 1.00 0.00 O ATOM 83 CB ALA A 173 -1.999 -8.509 -17.339 1.00 0.00 C ATOM 0 H ALA A 173 -0.541 -6.861 -18.341 1.00 0.00 H new ATOM 0 HA ALA A 173 -2.669 -8.508 -19.387 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.855 -9.078 -16.975 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -1.170 -9.188 -17.539 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -1.699 -7.783 -16.584 1.00 0.00 H new ATOM 89 N LEU A 174 -4.093 -6.278 -19.587 1.00 0.00 N ATOM 90 CA LEU A 174 -5.250 -5.372 -19.703 1.00 0.00 C ATOM 91 C LEU A 174 -6.611 -6.098 -19.543 1.00 0.00 C ATOM 92 O LEU A 174 -7.461 -6.083 -20.437 1.00 0.00 O ATOM 93 CB LEU A 174 -5.140 -4.585 -21.029 1.00 0.00 C ATOM 94 CG LEU A 174 -3.874 -3.715 -21.182 1.00 0.00 C ATOM 95 CD1 LEU A 174 -3.887 -3.021 -22.544 1.00 0.00 C ATOM 96 CD2 LEU A 174 -3.761 -2.638 -20.100 1.00 0.00 C ATOM 0 H LEU A 174 -3.630 -6.415 -20.486 1.00 0.00 H new ATOM 0 HA LEU A 174 -5.223 -4.667 -18.872 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.175 -5.294 -21.856 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -6.015 -3.942 -21.123 1.00 0.00 H new ATOM 0 HG LEU A 174 -3.021 -4.386 -21.086 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.992 -2.408 -22.648 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.907 -3.771 -23.334 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -4.771 -2.388 -22.622 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -2.852 -2.057 -20.258 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.627 -1.978 -20.152 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -3.723 -3.111 -19.119 1.00 0.00 H new ATOM 108 N HIS A 175 -6.802 -6.753 -18.391 1.00 0.00 N ATOM 109 CA HIS A 175 -7.979 -7.555 -18.005 1.00 0.00 C ATOM 110 C HIS A 175 -8.508 -7.176 -16.604 1.00 0.00 C ATOM 111 O HIS A 175 -9.036 -8.016 -15.872 1.00 0.00 O ATOM 112 CB HIS A 175 -7.614 -9.050 -18.119 1.00 0.00 C ATOM 113 CG HIS A 175 -7.090 -9.446 -19.479 1.00 0.00 C ATOM 114 ND1 HIS A 175 -5.778 -9.759 -19.786 1.00 0.00 N ATOM 115 CD2 HIS A 175 -7.819 -9.531 -20.633 1.00 0.00 C ATOM 116 CE1 HIS A 175 -5.710 -10.030 -21.104 1.00 0.00 C ATOM 117 NE2 HIS A 175 -6.942 -9.897 -21.636 1.00 0.00 N ATOM 0 H HIS A 175 -6.097 -6.739 -17.654 1.00 0.00 H new ATOM 0 HA HIS A 175 -8.803 -7.341 -18.686 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.863 -9.290 -17.366 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -8.496 -9.648 -17.891 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.878 -9.347 -20.740 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -4.817 -10.308 -21.645 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.186 -10.042 -22.616 1.00 0.00 H new ATOM 126 N GLN A 176 -8.345 -5.903 -16.230 1.00 0.00 N ATOM 127 CA GLN A 176 -8.734 -5.307 -14.941 1.00 0.00 C ATOM 128 C GLN A 176 -9.449 -3.951 -15.161 1.00 0.00 C ATOM 129 O GLN A 176 -9.584 -3.502 -16.304 1.00 0.00 O ATOM 130 CB GLN A 176 -7.456 -5.170 -14.079 1.00 0.00 C ATOM 131 CG GLN A 176 -7.677 -5.317 -12.562 1.00 0.00 C ATOM 132 CD GLN A 176 -8.101 -6.729 -12.146 1.00 0.00 C ATOM 133 OE1 GLN A 176 -7.473 -7.727 -12.478 1.00 0.00 O ATOM 134 NE2 GLN A 176 -9.175 -6.878 -11.397 1.00 0.00 N ATOM 0 H GLN A 176 -7.914 -5.219 -16.852 1.00 0.00 H new ATOM 0 HA GLN A 176 -9.448 -5.943 -14.418 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -6.736 -5.922 -14.401 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -7.007 -4.196 -14.273 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -6.757 -5.053 -12.040 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -8.440 -4.607 -12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -9.713 -6.061 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -9.468 -7.810 -11.105 1.00 0.00 H new ATOM 143 N ASN A 177 -9.899 -3.297 -14.079 1.00 0.00 N ATOM 144 CA ASN A 177 -10.631 -2.015 -14.076 1.00 0.00 C ATOM 145 C ASN A 177 -12.028 -2.115 -14.756 1.00 0.00 C ATOM 146 O ASN A 177 -12.461 -3.200 -15.163 1.00 0.00 O ATOM 147 CB ASN A 177 -9.697 -0.906 -14.633 1.00 0.00 C ATOM 148 CG ASN A 177 -10.094 0.523 -14.294 1.00 0.00 C ATOM 149 OD1 ASN A 177 -10.979 0.791 -13.494 1.00 0.00 O ATOM 150 ND2 ASN A 177 -9.463 1.496 -14.910 1.00 0.00 N ATOM 0 H ASN A 177 -9.757 -3.662 -13.137 1.00 0.00 H new ATOM 0 HA ASN A 177 -10.887 -1.735 -13.054 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -8.689 -1.083 -14.257 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -9.654 -1.004 -15.718 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.712 2.467 -14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -8.723 1.281 -15.579 1.00 0.00 H new ATOM 157 N ARG A 178 -12.762 -0.995 -14.841 1.00 0.00 N ATOM 158 CA ARG A 178 -14.106 -0.887 -15.446 1.00 0.00 C ATOM 159 C ARG A 178 -14.160 -1.316 -16.922 1.00 0.00 C ATOM 160 O ARG A 178 -13.135 -1.403 -17.600 1.00 0.00 O ATOM 161 CB ARG A 178 -14.647 0.547 -15.263 1.00 0.00 C ATOM 162 CG ARG A 178 -13.854 1.618 -16.039 1.00 0.00 C ATOM 163 CD ARG A 178 -14.493 3.009 -15.928 1.00 0.00 C ATOM 164 NE ARG A 178 -15.779 3.081 -16.651 1.00 0.00 N ATOM 165 CZ ARG A 178 -16.990 3.208 -16.129 1.00 0.00 C ATOM 166 NH1 ARG A 178 -17.210 3.301 -14.843 1.00 0.00 N ATOM 167 NH2 ARG A 178 -18.035 3.240 -16.911 1.00 0.00 N ATOM 0 H ARG A 178 -12.426 -0.103 -14.477 1.00 0.00 H new ATOM 0 HA ARG A 178 -14.747 -1.593 -14.918 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -15.688 0.576 -15.585 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -14.634 0.797 -14.202 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -12.833 1.658 -15.659 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -13.792 1.332 -17.089 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -14.652 3.253 -14.878 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -13.808 3.757 -16.329 1.00 0.00 H new ATOM 0 HE ARG A 178 -15.729 3.027 -17.668 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -16.428 3.277 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -18.164 3.397 -14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -17.918 3.167 -17.922 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -18.968 3.338 -16.511 1.00 0.00 H new ATOM 181 N GLU A 179 -15.373 -1.542 -17.428 1.00 0.00 N ATOM 182 CA GLU A 179 -15.633 -1.918 -18.828 1.00 0.00 C ATOM 183 C GLU A 179 -15.052 -0.882 -19.813 1.00 0.00 C ATOM 184 O GLU A 179 -15.364 0.311 -19.736 1.00 0.00 O ATOM 185 CB GLU A 179 -17.144 -2.091 -19.062 1.00 0.00 C ATOM 186 CG GLU A 179 -17.734 -3.264 -18.265 1.00 0.00 C ATOM 187 CD GLU A 179 -19.231 -3.434 -18.560 1.00 0.00 C ATOM 188 OE1 GLU A 179 -20.048 -2.797 -17.850 1.00 0.00 O ATOM 189 OE2 GLU A 179 -19.566 -4.201 -19.495 1.00 0.00 O ATOM 0 H GLU A 179 -16.223 -1.469 -16.869 1.00 0.00 H new ATOM 0 HA GLU A 179 -15.133 -2.868 -19.015 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -17.659 -1.172 -18.783 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -17.328 -2.250 -20.125 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -17.204 -4.182 -18.517 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -17.587 -3.094 -17.198 1.00 0.00 H new ATOM 196 N MET A 180 -14.188 -1.337 -20.727 1.00 0.00 N ATOM 197 CA MET A 180 -13.519 -0.490 -21.726 1.00 0.00 C ATOM 198 C MET A 180 -14.459 0.031 -22.834 1.00 0.00 C ATOM 199 O MET A 180 -15.581 -0.454 -23.014 1.00 0.00 O ATOM 200 CB MET A 180 -12.308 -1.239 -22.313 1.00 0.00 C ATOM 201 CG MET A 180 -12.687 -2.426 -23.210 1.00 0.00 C ATOM 202 SD MET A 180 -11.287 -3.431 -23.783 1.00 0.00 S ATOM 203 CE MET A 180 -10.473 -2.263 -24.909 1.00 0.00 C ATOM 0 H MET A 180 -13.928 -2.321 -20.796 1.00 0.00 H new ATOM 0 HA MET A 180 -13.176 0.405 -21.208 1.00 0.00 H new ATOM 0 HB2 MET A 180 -11.704 -0.538 -22.890 1.00 0.00 H new ATOM 0 HB3 MET A 180 -11.684 -1.599 -21.495 1.00 0.00 H new ATOM 0 HG2 MET A 180 -13.377 -3.069 -22.664 1.00 0.00 H new ATOM 0 HG3 MET A 180 -13.224 -2.048 -24.080 1.00 0.00 H new ATOM 0 HE1 MET A 180 -9.654 -2.765 -25.425 1.00 0.00 H new ATOM 0 HE2 MET A 180 -11.195 -1.900 -25.641 1.00 0.00 H new ATOM 0 HE3 MET A 180 -10.080 -1.421 -24.339 1.00 0.00 H new ATOM 213 N ILE A 181 -13.977 1.022 -23.592 1.00 0.00 N ATOM 214 CA ILE A 181 -14.676 1.659 -24.720 1.00 0.00 C ATOM 215 C ILE A 181 -15.041 0.663 -25.845 1.00 0.00 C ATOM 216 O ILE A 181 -14.394 -0.368 -26.034 1.00 0.00 O ATOM 217 CB ILE A 181 -13.846 2.876 -25.207 1.00 0.00 C ATOM 218 CG1 ILE A 181 -14.644 3.763 -26.190 1.00 0.00 C ATOM 219 CG2 ILE A 181 -12.474 2.463 -25.778 1.00 0.00 C ATOM 220 CD1 ILE A 181 -14.019 5.143 -26.433 1.00 0.00 C ATOM 0 H ILE A 181 -13.052 1.420 -23.432 1.00 0.00 H new ATOM 0 HA ILE A 181 -15.643 2.025 -24.376 1.00 0.00 H new ATOM 0 HB ILE A 181 -13.640 3.485 -24.326 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -14.732 3.242 -27.144 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -15.655 3.896 -25.805 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -11.933 3.351 -26.104 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -11.898 1.951 -25.007 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -12.619 1.795 -26.627 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -14.638 5.704 -27.133 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -13.956 5.685 -25.489 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -13.019 5.021 -26.849 1.00 0.00 H new ATOM 232 N ASP A 182 -16.092 0.990 -26.600 1.00 0.00 N ATOM 233 CA ASP A 182 -16.682 0.204 -27.696 1.00 0.00 C ATOM 234 C ASP A 182 -16.733 0.993 -29.031 1.00 0.00 C ATOM 235 O ASP A 182 -17.814 1.365 -29.499 1.00 0.00 O ATOM 236 CB ASP A 182 -18.055 -0.332 -27.230 1.00 0.00 C ATOM 237 CG ASP A 182 -19.142 0.736 -26.995 1.00 0.00 C ATOM 238 OD1 ASP A 182 -18.838 1.782 -26.369 1.00 0.00 O ATOM 239 OD2 ASP A 182 -20.302 0.491 -27.404 1.00 0.00 O ATOM 0 H ASP A 182 -16.590 1.869 -26.456 1.00 0.00 H new ATOM 0 HA ASP A 182 -16.044 -0.650 -27.924 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -18.421 -1.039 -27.975 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -17.912 -0.889 -26.304 1.00 0.00 H new ATOM 244 N PRO A 183 -15.571 1.289 -29.649 1.00 0.00 N ATOM 245 CA PRO A 183 -15.489 2.051 -30.896 1.00 0.00 C ATOM 246 C PRO A 183 -15.842 1.205 -32.131 1.00 0.00 C ATOM 247 O PRO A 183 -15.801 -0.029 -32.103 1.00 0.00 O ATOM 248 CB PRO A 183 -14.028 2.514 -30.963 1.00 0.00 C ATOM 249 CG PRO A 183 -13.272 1.360 -30.309 1.00 0.00 C ATOM 250 CD PRO A 183 -14.233 0.909 -29.210 1.00 0.00 C ATOM 0 HA PRO A 183 -16.203 2.874 -30.902 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -13.703 2.678 -31.990 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -13.877 3.451 -30.427 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -13.063 0.559 -31.018 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -12.314 1.683 -29.902 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -14.167 -0.168 -29.055 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -13.987 1.384 -28.260 1.00 0.00 H new ATOM 258 N ASP A 184 -16.132 1.876 -33.248 1.00 0.00 N ATOM 259 CA ASP A 184 -16.361 1.220 -34.540 1.00 0.00 C ATOM 260 C ASP A 184 -15.011 0.753 -35.124 1.00 0.00 C ATOM 261 O ASP A 184 -14.039 1.517 -35.142 1.00 0.00 O ATOM 262 CB ASP A 184 -17.066 2.193 -35.499 1.00 0.00 C ATOM 263 CG ASP A 184 -17.421 1.532 -36.838 1.00 0.00 C ATOM 264 OD1 ASP A 184 -16.549 1.534 -37.739 1.00 0.00 O ATOM 265 OD2 ASP A 184 -18.564 1.033 -36.969 1.00 0.00 O ATOM 0 H ASP A 184 -16.215 2.892 -33.283 1.00 0.00 H new ATOM 0 HA ASP A 184 -17.002 0.349 -34.404 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -17.975 2.569 -35.029 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -16.421 3.053 -35.680 1.00 0.00 H new ATOM 270 N LYS A 185 -14.949 -0.488 -35.617 1.00 0.00 N ATOM 271 CA LYS A 185 -13.764 -1.108 -36.223 1.00 0.00 C ATOM 272 C LYS A 185 -14.156 -1.842 -37.506 1.00 0.00 C ATOM 273 O LYS A 185 -15.323 -2.181 -37.705 1.00 0.00 O ATOM 274 CB LYS A 185 -13.113 -2.067 -35.208 1.00 0.00 C ATOM 275 CG LYS A 185 -12.428 -1.396 -34.005 1.00 0.00 C ATOM 276 CD LYS A 185 -11.179 -0.597 -34.404 1.00 0.00 C ATOM 277 CE LYS A 185 -10.476 -0.058 -33.155 1.00 0.00 C ATOM 278 NZ LYS A 185 -9.246 0.679 -33.515 1.00 0.00 N ATOM 0 H LYS A 185 -15.754 -1.114 -35.605 1.00 0.00 H new ATOM 0 HA LYS A 185 -13.039 -0.338 -36.486 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -13.879 -2.747 -34.835 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -12.375 -2.675 -35.731 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -13.138 -0.731 -33.512 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -12.149 -2.159 -33.279 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -10.497 -1.232 -34.969 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -11.460 0.229 -35.057 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -11.152 0.600 -32.609 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -10.227 -0.884 -32.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -8.789 1.034 -32.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -8.594 0.042 -34.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -9.489 1.480 -34.132 1.00 0.00 H new ATOM 292 N PHE A 186 -13.179 -2.093 -38.371 1.00 0.00 N ATOM 293 CA PHE A 186 -13.375 -2.739 -39.671 1.00 0.00 C ATOM 294 C PHE A 186 -12.172 -3.608 -40.067 1.00 0.00 C ATOM 295 O PHE A 186 -11.034 -3.335 -39.669 1.00 0.00 O ATOM 296 CB PHE A 186 -13.629 -1.630 -40.713 1.00 0.00 C ATOM 297 CG PHE A 186 -13.840 -2.101 -42.143 1.00 0.00 C ATOM 298 CD1 PHE A 186 -14.998 -2.822 -42.482 1.00 0.00 C ATOM 299 CD2 PHE A 186 -12.886 -1.815 -43.140 1.00 0.00 C ATOM 300 CE1 PHE A 186 -15.181 -3.308 -43.789 1.00 0.00 C ATOM 301 CE2 PHE A 186 -13.091 -2.258 -44.460 1.00 0.00 C ATOM 302 CZ PHE A 186 -14.229 -3.020 -44.782 1.00 0.00 C ATOM 0 H PHE A 186 -12.206 -1.849 -38.187 1.00 0.00 H new ATOM 0 HA PHE A 186 -14.230 -3.414 -39.619 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -14.507 -1.062 -40.404 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -12.783 -0.943 -40.698 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -15.754 -3.004 -41.732 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -11.997 -1.255 -42.891 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -16.051 -3.901 -44.029 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -12.373 -2.012 -45.228 1.00 0.00 H new ATOM 0 HZ PHE A 186 -14.371 -3.383 -45.789 1.00 0.00 H new ATOM 312 N CYS A 187 -12.435 -4.635 -40.875 1.00 0.00 N ATOM 313 CA CYS A 187 -11.466 -5.569 -41.433 1.00 0.00 C ATOM 314 C CYS A 187 -11.596 -5.535 -42.965 1.00 0.00 C ATOM 315 O CYS A 187 -12.540 -6.078 -43.550 1.00 0.00 O ATOM 316 CB CYS A 187 -11.701 -6.967 -40.841 1.00 0.00 C ATOM 317 SG CYS A 187 -10.364 -8.089 -41.350 1.00 0.00 S ATOM 0 H CYS A 187 -13.387 -4.847 -41.173 1.00 0.00 H new ATOM 0 HA CYS A 187 -10.444 -5.290 -41.175 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -11.744 -6.908 -39.753 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -12.662 -7.357 -41.177 1.00 0.00 H new ATOM 322 N SER A 188 -10.660 -4.846 -43.623 1.00 0.00 N ATOM 323 CA SER A 188 -10.633 -4.694 -45.084 1.00 0.00 C ATOM 324 C SER A 188 -10.289 -5.990 -45.830 1.00 0.00 C ATOM 325 O SER A 188 -10.578 -6.101 -47.024 1.00 0.00 O ATOM 326 CB SER A 188 -9.658 -3.579 -45.483 1.00 0.00 C ATOM 327 OG SER A 188 -8.358 -3.825 -44.968 1.00 0.00 O ATOM 0 H SER A 188 -9.889 -4.372 -43.152 1.00 0.00 H new ATOM 0 HA SER A 188 -11.647 -4.427 -45.383 1.00 0.00 H new ATOM 0 HB2 SER A 188 -9.613 -3.503 -46.569 1.00 0.00 H new ATOM 0 HB3 SER A 188 -10.024 -2.622 -45.111 1.00 0.00 H new ATOM 0 HG SER A 188 -7.756 -3.100 -45.239 1.00 0.00 H new ATOM 333 N LEU A 189 -9.708 -6.983 -45.144 1.00 0.00 N ATOM 334 CA LEU A 189 -9.356 -8.279 -45.726 1.00 0.00 C ATOM 335 C LEU A 189 -10.569 -9.231 -45.785 1.00 0.00 C ATOM 336 O LEU A 189 -10.687 -10.010 -46.736 1.00 0.00 O ATOM 337 CB LEU A 189 -8.200 -8.936 -44.944 1.00 0.00 C ATOM 338 CG LEU A 189 -6.843 -8.202 -45.018 1.00 0.00 C ATOM 339 CD1 LEU A 189 -6.696 -7.066 -44.000 1.00 0.00 C ATOM 340 CD2 LEU A 189 -5.706 -9.190 -44.744 1.00 0.00 C ATOM 0 H LEU A 189 -9.467 -6.905 -44.156 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.029 -8.093 -46.749 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.493 -9.016 -43.897 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -8.064 -9.952 -45.316 1.00 0.00 H new ATOM 0 HG LEU A 189 -6.798 -7.776 -46.020 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -5.718 -6.599 -44.114 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -7.475 -6.322 -44.170 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.791 -7.467 -42.991 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -4.750 -8.669 -44.797 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.830 -9.621 -43.750 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -5.727 -9.985 -45.489 1.00 0.00 H new ATOM 352 N CYS A 190 -11.461 -9.151 -44.792 1.00 0.00 N ATOM 353 CA CYS A 190 -12.654 -9.990 -44.630 1.00 0.00 C ATOM 354 C CYS A 190 -13.980 -9.269 -44.963 1.00 0.00 C ATOM 355 O CYS A 190 -15.037 -9.910 -44.993 1.00 0.00 O ATOM 356 CB CYS A 190 -12.687 -10.464 -43.163 1.00 0.00 C ATOM 357 SG CYS A 190 -11.191 -11.389 -42.690 1.00 0.00 S ATOM 0 H CYS A 190 -11.366 -8.466 -44.042 1.00 0.00 H new ATOM 0 HA CYS A 190 -12.579 -10.816 -45.337 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -12.797 -9.599 -42.508 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -13.563 -11.094 -43.009 1.00 0.00 H new ATOM 362 N HIS A 191 -13.943 -7.946 -45.184 1.00 0.00 N ATOM 363 CA HIS A 191 -15.109 -7.075 -45.407 1.00 0.00 C ATOM 364 C HIS A 191 -16.137 -7.226 -44.264 1.00 0.00 C ATOM 365 O HIS A 191 -17.309 -7.545 -44.480 1.00 0.00 O ATOM 366 CB HIS A 191 -15.661 -7.270 -46.833 1.00 0.00 C ATOM 367 CG HIS A 191 -16.548 -6.137 -47.288 1.00 0.00 C ATOM 368 ND1 HIS A 191 -17.918 -6.053 -47.123 1.00 0.00 N ATOM 369 CD2 HIS A 191 -16.139 -5.003 -47.935 1.00 0.00 C ATOM 370 CE1 HIS A 191 -18.335 -4.889 -47.656 1.00 0.00 C ATOM 371 NE2 HIS A 191 -17.267 -4.236 -48.156 1.00 0.00 N ATOM 0 H HIS A 191 -13.063 -7.431 -45.214 1.00 0.00 H new ATOM 0 HA HIS A 191 -14.811 -6.027 -45.364 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -14.827 -7.371 -47.528 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.224 -8.202 -46.873 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -15.127 -4.755 -48.219 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -19.356 -4.537 -47.679 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -17.288 -3.328 -48.620 1.00 0.00 H new ATOM 380 N ALA A 192 -15.663 -7.027 -43.030 1.00 0.00 N ATOM 381 CA ALA A 192 -16.423 -7.182 -41.784 1.00 0.00 C ATOM 382 C ALA A 192 -16.282 -5.946 -40.874 1.00 0.00 C ATOM 383 O ALA A 192 -15.220 -5.326 -40.832 1.00 0.00 O ATOM 384 CB ALA A 192 -15.928 -8.457 -41.084 1.00 0.00 C ATOM 0 H ALA A 192 -14.698 -6.741 -42.864 1.00 0.00 H new ATOM 0 HA ALA A 192 -17.486 -7.271 -42.009 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -16.477 -8.597 -40.153 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -16.091 -9.316 -41.735 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -14.864 -8.363 -40.867 1.00 0.00 H new ATOM 390 N THR A 193 -17.346 -5.599 -40.140 1.00 0.00 N ATOM 391 CA THR A 193 -17.422 -4.416 -39.252 1.00 0.00 C ATOM 392 C THR A 193 -17.776 -4.829 -37.819 1.00 0.00 C ATOM 393 O THR A 193 -18.518 -5.795 -37.618 1.00 0.00 O ATOM 394 CB THR A 193 -18.472 -3.411 -39.775 1.00 0.00 C ATOM 395 OG1 THR A 193 -18.339 -3.205 -41.169 1.00 0.00 O ATOM 396 CG2 THR A 193 -18.366 -2.024 -39.139 1.00 0.00 C ATOM 0 H THR A 193 -18.207 -6.145 -40.142 1.00 0.00 H new ATOM 0 HA THR A 193 -16.442 -3.940 -39.248 1.00 0.00 H new ATOM 0 HB THR A 193 -19.427 -3.866 -39.514 1.00 0.00 H new ATOM 0 HG1 THR A 193 -19.017 -2.566 -41.471 1.00 0.00 H new ATOM 0 HG21 THR A 193 -19.135 -1.373 -39.555 1.00 0.00 H new ATOM 0 HG22 THR A 193 -18.505 -2.106 -38.061 1.00 0.00 H new ATOM 0 HG23 THR A 193 -17.382 -1.603 -39.347 1.00 0.00 H new ATOM 404 N PHE A 194 -17.264 -4.103 -36.817 1.00 0.00 N ATOM 405 CA PHE A 194 -17.450 -4.397 -35.389 1.00 0.00 C ATOM 406 C PHE A 194 -17.730 -3.109 -34.600 1.00 0.00 C ATOM 407 O PHE A 194 -17.279 -2.032 -34.989 1.00 0.00 O ATOM 408 CB PHE A 194 -16.191 -5.110 -34.841 1.00 0.00 C ATOM 409 CG PHE A 194 -15.465 -5.985 -35.852 1.00 0.00 C ATOM 410 CD1 PHE A 194 -15.992 -7.238 -36.217 1.00 0.00 C ATOM 411 CD2 PHE A 194 -14.332 -5.486 -36.525 1.00 0.00 C ATOM 412 CE1 PHE A 194 -15.412 -7.966 -37.271 1.00 0.00 C ATOM 413 CE2 PHE A 194 -13.750 -6.215 -37.574 1.00 0.00 C ATOM 414 CZ PHE A 194 -14.297 -7.450 -37.954 1.00 0.00 C ATOM 0 H PHE A 194 -16.694 -3.273 -36.981 1.00 0.00 H new ATOM 0 HA PHE A 194 -18.312 -5.054 -35.271 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -15.497 -4.357 -34.468 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -16.481 -5.726 -33.990 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -16.843 -7.641 -35.687 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -13.909 -4.537 -36.232 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -15.824 -8.923 -37.556 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -12.883 -5.826 -38.087 1.00 0.00 H new ATOM 0 HZ PHE A 194 -13.861 -8.005 -38.772 1.00 0.00 H new ATOM 424 N ASN A 195 -18.466 -3.214 -33.489 1.00 0.00 N ATOM 425 CA ASN A 195 -18.843 -2.080 -32.627 1.00 0.00 C ATOM 426 C ASN A 195 -18.746 -2.415 -31.121 1.00 0.00 C ATOM 427 O ASN A 195 -19.420 -1.815 -30.285 1.00 0.00 O ATOM 428 CB ASN A 195 -20.226 -1.555 -33.076 1.00 0.00 C ATOM 429 CG ASN A 195 -20.080 -0.531 -34.188 1.00 0.00 C ATOM 430 OD1 ASN A 195 -19.740 0.618 -33.951 1.00 0.00 O ATOM 431 ND2 ASN A 195 -20.336 -0.892 -35.425 1.00 0.00 N ATOM 0 H ASN A 195 -18.826 -4.107 -33.153 1.00 0.00 H new ATOM 0 HA ASN A 195 -18.123 -1.271 -32.751 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -20.841 -2.386 -33.420 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -20.742 -1.106 -32.228 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -20.250 -0.214 -36.182 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -20.620 -1.850 -35.628 1.00 0.00 H new ATOM 438 N ASP A 196 -17.882 -3.369 -30.764 1.00 0.00 N ATOM 439 CA ASP A 196 -17.589 -3.798 -29.390 1.00 0.00 C ATOM 440 C ASP A 196 -16.113 -4.234 -29.288 1.00 0.00 C ATOM 441 O ASP A 196 -15.554 -4.721 -30.279 1.00 0.00 O ATOM 442 CB ASP A 196 -18.533 -4.941 -28.976 1.00 0.00 C ATOM 443 CG ASP A 196 -19.928 -4.436 -28.593 1.00 0.00 C ATOM 444 OD1 ASP A 196 -20.041 -3.820 -27.507 1.00 0.00 O ATOM 445 OD2 ASP A 196 -20.882 -4.691 -29.366 1.00 0.00 O ATOM 0 H ASP A 196 -17.342 -3.889 -31.456 1.00 0.00 H new ATOM 0 HA ASP A 196 -17.753 -2.964 -28.707 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -18.620 -5.652 -29.797 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -18.100 -5.479 -28.133 1.00 0.00 H new ATOM 450 N PRO A 197 -15.465 -4.077 -28.115 1.00 0.00 N ATOM 451 CA PRO A 197 -14.044 -4.390 -27.949 1.00 0.00 C ATOM 452 C PRO A 197 -13.729 -5.868 -28.171 1.00 0.00 C ATOM 453 O PRO A 197 -12.811 -6.223 -28.911 1.00 0.00 O ATOM 454 CB PRO A 197 -13.691 -3.978 -26.510 1.00 0.00 C ATOM 455 CG PRO A 197 -15.030 -3.892 -25.778 1.00 0.00 C ATOM 456 CD PRO A 197 -16.027 -3.553 -26.877 1.00 0.00 C ATOM 0 HA PRO A 197 -13.456 -3.855 -28.694 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -13.032 -4.709 -26.041 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -13.170 -3.021 -26.491 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -15.279 -4.834 -25.289 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -15.013 -3.125 -25.003 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -16.999 -4.001 -26.671 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -16.180 -2.476 -26.945 1.00 0.00 H new ATOM 464 N VAL A 198 -14.508 -6.738 -27.526 1.00 0.00 N ATOM 465 CA VAL A 198 -14.339 -8.193 -27.594 1.00 0.00 C ATOM 466 C VAL A 198 -14.725 -8.718 -28.977 1.00 0.00 C ATOM 467 O VAL A 198 -14.033 -9.582 -29.499 1.00 0.00 O ATOM 468 CB VAL A 198 -15.114 -8.866 -26.446 1.00 0.00 C ATOM 469 CG1 VAL A 198 -14.995 -10.395 -26.472 1.00 0.00 C ATOM 470 CG2 VAL A 198 -14.561 -8.371 -25.097 1.00 0.00 C ATOM 0 H VAL A 198 -15.286 -6.449 -26.933 1.00 0.00 H new ATOM 0 HA VAL A 198 -13.288 -8.449 -27.458 1.00 0.00 H new ATOM 0 HB VAL A 198 -16.163 -8.600 -26.573 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -15.560 -10.818 -25.641 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -15.393 -10.775 -27.413 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -13.947 -10.680 -26.380 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -15.108 -8.846 -24.283 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -13.504 -8.626 -25.021 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -14.679 -7.289 -25.030 1.00 0.00 H new ATOM 480 N MET A 199 -15.758 -8.162 -29.620 1.00 0.00 N ATOM 481 CA MET A 199 -16.155 -8.532 -30.989 1.00 0.00 C ATOM 482 C MET A 199 -15.016 -8.256 -31.985 1.00 0.00 C ATOM 483 O MET A 199 -14.662 -9.131 -32.778 1.00 0.00 O ATOM 484 CB MET A 199 -17.419 -7.741 -31.363 1.00 0.00 C ATOM 485 CG MET A 199 -18.015 -8.108 -32.724 1.00 0.00 C ATOM 486 SD MET A 199 -19.362 -6.993 -33.213 1.00 0.00 S ATOM 487 CE MET A 199 -19.903 -7.791 -34.750 1.00 0.00 C ATOM 0 H MET A 199 -16.347 -7.439 -29.206 1.00 0.00 H new ATOM 0 HA MET A 199 -16.367 -9.600 -31.033 1.00 0.00 H new ATOM 0 HB2 MET A 199 -18.174 -7.902 -30.594 1.00 0.00 H new ATOM 0 HB3 MET A 199 -17.182 -6.677 -31.359 1.00 0.00 H new ATOM 0 HG2 MET A 199 -17.231 -8.080 -33.481 1.00 0.00 H new ATOM 0 HG3 MET A 199 -18.388 -9.131 -32.690 1.00 0.00 H new ATOM 0 HE1 MET A 199 -20.730 -7.227 -35.181 1.00 0.00 H new ATOM 0 HE2 MET A 199 -19.074 -7.817 -35.458 1.00 0.00 H new ATOM 0 HE3 MET A 199 -20.230 -8.809 -34.536 1.00 0.00 H new ATOM 497 N ALA A 200 -14.407 -7.066 -31.907 1.00 0.00 N ATOM 498 CA ALA A 200 -13.258 -6.694 -32.730 1.00 0.00 C ATOM 499 C ALA A 200 -12.069 -7.634 -32.473 1.00 0.00 C ATOM 500 O ALA A 200 -11.528 -8.238 -33.401 1.00 0.00 O ATOM 501 CB ALA A 200 -12.876 -5.243 -32.404 1.00 0.00 C ATOM 0 H ALA A 200 -14.703 -6.331 -31.265 1.00 0.00 H new ATOM 0 HA ALA A 200 -13.522 -6.782 -33.784 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -12.019 -4.948 -33.010 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -13.719 -4.587 -32.623 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -12.619 -5.163 -31.348 1.00 0.00 H new ATOM 507 N GLN A 201 -11.679 -7.778 -31.201 1.00 0.00 N ATOM 508 CA GLN A 201 -10.551 -8.611 -30.789 1.00 0.00 C ATOM 509 C GLN A 201 -10.712 -10.085 -31.207 1.00 0.00 C ATOM 510 O GLN A 201 -9.767 -10.682 -31.724 1.00 0.00 O ATOM 511 CB GLN A 201 -10.358 -8.469 -29.270 1.00 0.00 C ATOM 512 CG GLN A 201 -9.089 -9.168 -28.760 1.00 0.00 C ATOM 513 CD GLN A 201 -8.879 -8.936 -27.263 1.00 0.00 C ATOM 514 OE1 GLN A 201 -9.688 -9.315 -26.425 1.00 0.00 O ATOM 515 NE2 GLN A 201 -7.792 -8.309 -26.861 1.00 0.00 N ATOM 0 H GLN A 201 -12.145 -7.313 -30.422 1.00 0.00 H new ATOM 0 HA GLN A 201 -9.658 -8.261 -31.306 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -10.312 -7.411 -29.012 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -11.226 -8.885 -28.758 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -9.159 -10.238 -28.956 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -8.224 -8.799 -29.311 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -7.107 -7.986 -27.545 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -7.635 -8.146 -25.866 1.00 0.00 H new ATOM 524 N GLN A 202 -11.904 -10.666 -31.015 1.00 0.00 N ATOM 525 CA GLN A 202 -12.222 -12.051 -31.376 1.00 0.00 C ATOM 526 C GLN A 202 -12.133 -12.285 -32.887 1.00 0.00 C ATOM 527 O GLN A 202 -11.630 -13.330 -33.305 1.00 0.00 O ATOM 528 CB GLN A 202 -13.623 -12.434 -30.861 1.00 0.00 C ATOM 529 CG GLN A 202 -13.650 -12.718 -29.348 1.00 0.00 C ATOM 530 CD GLN A 202 -12.943 -14.022 -28.980 1.00 0.00 C ATOM 531 OE1 GLN A 202 -11.770 -14.053 -28.630 1.00 0.00 O ATOM 532 NE2 GLN A 202 -13.619 -15.152 -29.047 1.00 0.00 N ATOM 0 H GLN A 202 -12.691 -10.173 -30.594 1.00 0.00 H new ATOM 0 HA GLN A 202 -11.478 -12.689 -30.899 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -14.320 -11.627 -31.086 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -13.973 -13.316 -31.397 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -13.177 -11.891 -28.819 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -14.685 -12.763 -29.009 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -14.597 -15.145 -29.337 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -13.164 -16.033 -28.809 1.00 0.00 H new ATOM 541 N HIS A 203 -12.573 -11.326 -33.713 1.00 0.00 N ATOM 542 CA HIS A 203 -12.472 -11.459 -35.168 1.00 0.00 C ATOM 543 C HIS A 203 -11.006 -11.613 -35.601 1.00 0.00 C ATOM 544 O HIS A 203 -10.663 -12.595 -36.256 1.00 0.00 O ATOM 545 CB HIS A 203 -13.138 -10.275 -35.888 1.00 0.00 C ATOM 546 CG HIS A 203 -13.071 -10.433 -37.390 1.00 0.00 C ATOM 547 ND1 HIS A 203 -13.970 -11.119 -38.181 1.00 0.00 N ATOM 548 CD2 HIS A 203 -12.040 -10.041 -38.207 1.00 0.00 C ATOM 549 CE1 HIS A 203 -13.476 -11.162 -39.432 1.00 0.00 C ATOM 550 NE2 HIS A 203 -12.290 -10.535 -39.492 1.00 0.00 N ATOM 0 H HIS A 203 -13.000 -10.455 -33.398 1.00 0.00 H new ATOM 0 HA HIS A 203 -13.009 -12.362 -35.457 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -14.179 -10.196 -35.575 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -12.647 -9.347 -35.596 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -14.854 -11.523 -37.872 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -11.184 -9.453 -37.910 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -13.965 -11.635 -40.271 1.00 0.00 H new ATOM 558 N TYR A 204 -10.133 -10.682 -35.197 1.00 0.00 N ATOM 559 CA TYR A 204 -8.704 -10.660 -35.549 1.00 0.00 C ATOM 560 C TYR A 204 -7.865 -11.889 -35.128 1.00 0.00 C ATOM 561 O TYR A 204 -6.694 -11.975 -35.506 1.00 0.00 O ATOM 562 CB TYR A 204 -8.075 -9.355 -35.027 1.00 0.00 C ATOM 563 CG TYR A 204 -8.723 -8.064 -35.514 1.00 0.00 C ATOM 564 CD1 TYR A 204 -9.070 -7.901 -36.872 1.00 0.00 C ATOM 565 CD2 TYR A 204 -8.957 -7.008 -34.608 1.00 0.00 C ATOM 566 CE1 TYR A 204 -9.673 -6.710 -37.316 1.00 0.00 C ATOM 567 CE2 TYR A 204 -9.555 -5.811 -35.050 1.00 0.00 C ATOM 568 CZ TYR A 204 -9.915 -5.656 -36.407 1.00 0.00 C ATOM 569 OH TYR A 204 -10.470 -4.485 -36.826 1.00 0.00 O ATOM 0 H TYR A 204 -10.406 -9.901 -34.600 1.00 0.00 H new ATOM 0 HA TYR A 204 -8.679 -10.708 -36.638 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -8.109 -9.368 -33.938 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -7.023 -9.341 -35.313 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -8.871 -8.696 -37.575 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -8.676 -7.118 -33.571 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -9.951 -6.601 -38.354 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -9.739 -5.010 -34.349 1.00 0.00 H new ATOM 0 HH TYR A 204 -10.487 -4.463 -37.806 1.00 0.00 H new ATOM 579 N VAL A 205 -8.429 -12.850 -34.381 1.00 0.00 N ATOM 580 CA VAL A 205 -7.745 -14.088 -33.941 1.00 0.00 C ATOM 581 C VAL A 205 -8.518 -15.378 -34.270 1.00 0.00 C ATOM 582 O VAL A 205 -8.025 -16.472 -33.986 1.00 0.00 O ATOM 583 CB VAL A 205 -7.376 -14.042 -32.440 1.00 0.00 C ATOM 584 CG1 VAL A 205 -6.507 -12.824 -32.101 1.00 0.00 C ATOM 585 CG2 VAL A 205 -8.602 -14.048 -31.518 1.00 0.00 C ATOM 0 H VAL A 205 -9.394 -12.792 -34.056 1.00 0.00 H new ATOM 0 HA VAL A 205 -6.825 -14.123 -34.524 1.00 0.00 H new ATOM 0 HB VAL A 205 -6.809 -14.956 -32.261 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -6.271 -12.830 -31.037 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -5.583 -12.864 -32.678 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.049 -11.911 -32.347 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -8.276 -14.015 -30.479 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -9.222 -13.178 -31.732 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -9.180 -14.956 -31.688 1.00 0.00 H new ATOM 595 N GLY A 206 -9.710 -15.282 -34.871 1.00 0.00 N ATOM 596 CA GLY A 206 -10.549 -16.436 -35.218 1.00 0.00 C ATOM 597 C GLY A 206 -10.165 -17.109 -36.540 1.00 0.00 C ATOM 598 O GLY A 206 -9.620 -16.473 -37.447 1.00 0.00 O ATOM 0 H GLY A 206 -10.125 -14.388 -35.134 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -10.487 -17.172 -34.416 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -11.588 -16.113 -35.275 1.00 0.00 H new ATOM 602 N LYS A 207 -10.473 -18.408 -36.675 1.00 0.00 N ATOM 603 CA LYS A 207 -10.173 -19.217 -37.876 1.00 0.00 C ATOM 604 C LYS A 207 -10.689 -18.604 -39.180 1.00 0.00 C ATOM 605 O LYS A 207 -9.989 -18.669 -40.189 1.00 0.00 O ATOM 606 CB LYS A 207 -10.704 -20.654 -37.697 1.00 0.00 C ATOM 607 CG LYS A 207 -9.825 -21.525 -36.783 1.00 0.00 C ATOM 608 CD LYS A 207 -8.508 -21.947 -37.463 1.00 0.00 C ATOM 609 CE LYS A 207 -7.692 -22.912 -36.595 1.00 0.00 C ATOM 610 NZ LYS A 207 -7.141 -22.243 -35.396 1.00 0.00 N ATOM 0 H LYS A 207 -10.945 -18.939 -35.943 1.00 0.00 H new ATOM 0 HA LYS A 207 -9.087 -19.237 -37.970 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -11.712 -20.611 -37.285 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -10.779 -21.129 -38.675 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -9.599 -20.975 -35.869 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -10.381 -22.416 -36.490 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -8.730 -22.420 -38.419 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -7.911 -21.060 -37.677 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -8.323 -23.746 -36.288 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -6.876 -23.330 -37.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -6.596 -22.929 -34.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -6.519 -21.463 -35.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -7.920 -21.866 -34.820 1.00 0.00 H new ATOM 624 N LYS A 208 -11.867 -17.966 -39.167 1.00 0.00 N ATOM 625 CA LYS A 208 -12.440 -17.282 -40.344 1.00 0.00 C ATOM 626 C LYS A 208 -11.532 -16.150 -40.843 1.00 0.00 C ATOM 627 O LYS A 208 -11.278 -16.065 -42.043 1.00 0.00 O ATOM 628 CB LYS A 208 -13.855 -16.761 -40.027 1.00 0.00 C ATOM 629 CG LYS A 208 -14.887 -17.858 -39.704 1.00 0.00 C ATOM 630 CD LYS A 208 -15.146 -18.820 -40.878 1.00 0.00 C ATOM 631 CE LYS A 208 -16.218 -19.866 -40.547 1.00 0.00 C ATOM 632 NZ LYS A 208 -17.559 -19.260 -40.396 1.00 0.00 N ATOM 0 H LYS A 208 -12.456 -17.907 -38.336 1.00 0.00 H new ATOM 0 HA LYS A 208 -12.513 -18.012 -41.151 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -13.795 -16.077 -39.180 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -14.214 -16.183 -40.878 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -14.540 -18.431 -38.844 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -15.827 -17.388 -39.415 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -15.457 -18.248 -41.752 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -14.217 -19.326 -41.142 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -16.247 -20.617 -41.336 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.948 -20.382 -39.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -18.270 -20.012 -40.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.572 -18.651 -39.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -17.779 -18.690 -41.238 1.00 0.00 H new ATOM 646 N HIS A 209 -10.983 -15.338 -39.934 1.00 0.00 N ATOM 647 CA HIS A 209 -10.031 -14.271 -40.276 1.00 0.00 C ATOM 648 C HIS A 209 -8.732 -14.852 -40.837 1.00 0.00 C ATOM 649 O HIS A 209 -8.271 -14.408 -41.886 1.00 0.00 O ATOM 650 CB HIS A 209 -9.769 -13.389 -39.052 1.00 0.00 C ATOM 651 CG HIS A 209 -8.769 -12.277 -39.284 1.00 0.00 C ATOM 652 ND1 HIS A 209 -9.021 -11.068 -39.942 1.00 0.00 N ATOM 653 CD2 HIS A 209 -7.470 -12.284 -38.858 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.867 -10.382 -39.907 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.919 -11.086 -39.262 1.00 0.00 N ATOM 0 H HIS A 209 -11.186 -15.401 -38.936 1.00 0.00 H new ATOM 0 HA HIS A 209 -10.469 -13.649 -41.057 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -10.712 -12.950 -38.727 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -9.412 -14.018 -38.236 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -6.973 -13.073 -38.312 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -7.720 -9.402 -40.337 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.958 -10.785 -39.100 1.00 0.00 H new ATOM 663 N ARG A 210 -8.165 -15.892 -40.201 1.00 0.00 N ATOM 664 CA ARG A 210 -6.955 -16.576 -40.711 1.00 0.00 C ATOM 665 C ARG A 210 -7.186 -17.126 -42.127 1.00 0.00 C ATOM 666 O ARG A 210 -6.347 -16.926 -43.007 1.00 0.00 O ATOM 667 CB ARG A 210 -6.493 -17.702 -39.761 1.00 0.00 C ATOM 668 CG ARG A 210 -5.647 -17.233 -38.563 1.00 0.00 C ATOM 669 CD ARG A 210 -6.445 -16.477 -37.493 1.00 0.00 C ATOM 670 NE ARG A 210 -5.624 -16.150 -36.313 1.00 0.00 N ATOM 671 CZ ARG A 210 -4.760 -15.154 -36.194 1.00 0.00 C ATOM 672 NH1 ARG A 210 -4.484 -14.331 -37.171 1.00 0.00 N ATOM 673 NH2 ARG A 210 -4.139 -14.964 -35.062 1.00 0.00 N ATOM 0 H ARG A 210 -8.524 -16.281 -39.329 1.00 0.00 H new ATOM 0 HA ARG A 210 -6.160 -15.832 -40.756 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -7.373 -18.223 -39.384 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -5.915 -18.427 -40.334 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -5.174 -18.101 -38.103 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -4.846 -16.589 -38.927 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -6.844 -15.558 -37.922 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -7.298 -17.081 -37.184 1.00 0.00 H new ATOM 0 HE ARG A 210 -5.733 -16.757 -35.500 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -4.943 -14.441 -38.075 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -3.810 -13.579 -37.029 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -4.320 -15.582 -34.271 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -3.473 -14.197 -34.968 1.00 0.00 H new ATOM 687 N LYS A 211 -8.331 -17.779 -42.361 1.00 0.00 N ATOM 688 CA LYS A 211 -8.739 -18.341 -43.659 1.00 0.00 C ATOM 689 C LYS A 211 -8.877 -17.261 -44.737 1.00 0.00 C ATOM 690 O LYS A 211 -8.245 -17.375 -45.786 1.00 0.00 O ATOM 691 CB LYS A 211 -10.045 -19.134 -43.467 1.00 0.00 C ATOM 692 CG LYS A 211 -10.499 -19.862 -44.742 1.00 0.00 C ATOM 693 CD LYS A 211 -11.826 -20.592 -44.499 1.00 0.00 C ATOM 694 CE LYS A 211 -12.298 -21.275 -45.785 1.00 0.00 C ATOM 695 NZ LYS A 211 -13.582 -21.976 -45.575 1.00 0.00 N ATOM 0 H LYS A 211 -9.024 -17.937 -41.629 1.00 0.00 H new ATOM 0 HA LYS A 211 -7.960 -19.015 -44.016 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -9.907 -19.863 -42.669 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -10.833 -18.453 -43.144 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -10.615 -19.146 -45.555 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -9.736 -20.576 -45.052 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -11.702 -21.333 -43.710 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -12.581 -19.884 -44.156 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -12.411 -20.532 -46.575 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -11.543 -21.986 -46.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -13.879 -22.430 -46.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -13.466 -22.700 -44.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -14.306 -21.292 -45.277 1.00 0.00 H new ATOM 709 N GLN A 212 -9.661 -16.208 -44.491 1.00 0.00 N ATOM 710 CA GLN A 212 -9.857 -15.117 -45.455 1.00 0.00 C ATOM 711 C GLN A 212 -8.572 -14.310 -45.700 1.00 0.00 C ATOM 712 O GLN A 212 -8.291 -13.965 -46.848 1.00 0.00 O ATOM 713 CB GLN A 212 -11.016 -14.205 -45.019 1.00 0.00 C ATOM 714 CG GLN A 212 -12.391 -14.645 -45.549 1.00 0.00 C ATOM 715 CD GLN A 212 -12.906 -15.963 -44.972 1.00 0.00 C ATOM 716 OE1 GLN A 212 -12.526 -17.051 -45.385 1.00 0.00 O ATOM 717 NE2 GLN A 212 -13.824 -15.927 -44.028 1.00 0.00 N ATOM 0 H GLN A 212 -10.178 -16.086 -43.620 1.00 0.00 H new ATOM 0 HA GLN A 212 -10.121 -15.575 -46.408 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -11.051 -14.174 -43.930 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -10.814 -13.190 -45.360 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -13.117 -13.861 -45.332 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -12.335 -14.736 -46.634 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -14.153 -15.030 -43.671 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -14.205 -16.796 -43.654 1.00 0.00 H new ATOM 726 N GLU A 213 -7.756 -14.055 -44.672 1.00 0.00 N ATOM 727 CA GLU A 213 -6.455 -13.388 -44.821 1.00 0.00 C ATOM 728 C GLU A 213 -5.541 -14.229 -45.722 1.00 0.00 C ATOM 729 O GLU A 213 -4.958 -13.698 -46.666 1.00 0.00 O ATOM 730 CB GLU A 213 -5.837 -13.134 -43.434 1.00 0.00 C ATOM 731 CG GLU A 213 -4.447 -12.473 -43.452 1.00 0.00 C ATOM 732 CD GLU A 213 -3.293 -13.484 -43.550 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.146 -14.303 -42.611 1.00 0.00 O ATOM 734 OE2 GLU A 213 -2.537 -13.426 -44.548 1.00 0.00 O ATOM 0 H GLU A 213 -7.979 -14.306 -43.709 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.585 -12.418 -45.302 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.516 -12.502 -42.861 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -5.764 -14.085 -42.906 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -4.391 -11.785 -44.296 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -4.324 -11.878 -42.547 1.00 0.00 H new ATOM 741 N THR A 214 -5.462 -15.545 -45.485 1.00 0.00 N ATOM 742 CA THR A 214 -4.684 -16.473 -46.325 1.00 0.00 C ATOM 743 C THR A 214 -5.216 -16.481 -47.761 1.00 0.00 C ATOM 744 O THR A 214 -4.431 -16.374 -48.702 1.00 0.00 O ATOM 745 CB THR A 214 -4.685 -17.901 -45.747 1.00 0.00 C ATOM 746 OG1 THR A 214 -4.155 -17.901 -44.438 1.00 0.00 O ATOM 747 CG2 THR A 214 -3.819 -18.867 -46.559 1.00 0.00 C ATOM 0 H THR A 214 -5.936 -16.000 -44.704 1.00 0.00 H new ATOM 0 HA THR A 214 -3.654 -16.117 -46.334 1.00 0.00 H new ATOM 0 HB THR A 214 -5.725 -18.228 -45.770 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.837 -17.587 -43.809 1.00 0.00 H new ATOM 0 HG21 THR A 214 -3.857 -19.858 -46.106 1.00 0.00 H new ATOM 0 HG22 THR A 214 -4.194 -18.920 -47.581 1.00 0.00 H new ATOM 0 HG23 THR A 214 -2.789 -18.512 -46.569 1.00 0.00 H new ATOM 755 N LYS A 215 -6.543 -16.550 -47.954 1.00 0.00 N ATOM 756 CA LYS A 215 -7.187 -16.508 -49.279 1.00 0.00 C ATOM 757 C LYS A 215 -6.805 -15.232 -50.031 1.00 0.00 C ATOM 758 O LYS A 215 -6.385 -15.309 -51.185 1.00 0.00 O ATOM 759 CB LYS A 215 -8.707 -16.690 -49.098 1.00 0.00 C ATOM 760 CG LYS A 215 -9.527 -16.825 -50.397 1.00 0.00 C ATOM 761 CD LYS A 215 -9.881 -15.523 -51.140 1.00 0.00 C ATOM 762 CE LYS A 215 -10.647 -14.527 -50.260 1.00 0.00 C ATOM 763 NZ LYS A 215 -11.053 -13.335 -51.034 1.00 0.00 N ATOM 0 H LYS A 215 -7.208 -16.638 -47.185 1.00 0.00 H new ATOM 0 HA LYS A 215 -6.831 -17.327 -49.904 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -8.877 -17.578 -48.489 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.091 -15.839 -48.535 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -8.972 -17.466 -51.082 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -10.456 -17.342 -50.159 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -8.965 -15.054 -51.499 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -10.482 -15.762 -52.018 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -11.530 -15.011 -49.842 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -10.022 -14.223 -49.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -11.569 -12.678 -50.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -10.207 -12.862 -51.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -11.669 -13.625 -51.821 1.00 0.00 H new ATOM 777 N LEU A 216 -6.894 -14.068 -49.383 1.00 0.00 N ATOM 778 CA LEU A 216 -6.508 -12.783 -49.974 1.00 0.00 C ATOM 779 C LEU A 216 -5.003 -12.728 -50.287 1.00 0.00 C ATOM 780 O LEU A 216 -4.621 -12.266 -51.362 1.00 0.00 O ATOM 781 CB LEU A 216 -6.921 -11.641 -49.031 1.00 0.00 C ATOM 782 CG LEU A 216 -6.767 -10.245 -49.668 1.00 0.00 C ATOM 783 CD1 LEU A 216 -7.826 -9.983 -50.742 1.00 0.00 C ATOM 784 CD2 LEU A 216 -6.913 -9.181 -48.589 1.00 0.00 C ATOM 0 H LEU A 216 -7.238 -13.989 -48.426 1.00 0.00 H new ATOM 0 HA LEU A 216 -7.030 -12.669 -50.924 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.959 -11.784 -48.730 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -6.317 -11.689 -48.125 1.00 0.00 H new ATOM 0 HG LEU A 216 -5.782 -10.206 -50.134 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -7.679 -8.988 -51.163 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -7.735 -10.729 -51.532 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.819 -10.045 -50.297 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.805 -8.193 -49.036 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.896 -9.264 -48.126 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -6.142 -9.323 -47.831 1.00 0.00 H new ATOM 796 N LYS A 217 -4.146 -13.222 -49.383 1.00 0.00 N ATOM 797 CA LYS A 217 -2.687 -13.273 -49.574 1.00 0.00 C ATOM 798 C LYS A 217 -2.327 -14.102 -50.811 1.00 0.00 C ATOM 799 O LYS A 217 -1.541 -13.651 -51.642 1.00 0.00 O ATOM 800 CB LYS A 217 -2.024 -13.809 -48.291 1.00 0.00 C ATOM 801 CG LYS A 217 -0.497 -13.641 -48.236 1.00 0.00 C ATOM 802 CD LYS A 217 -0.068 -12.164 -48.157 1.00 0.00 C ATOM 803 CE LYS A 217 1.436 -12.006 -47.904 1.00 0.00 C ATOM 804 NZ LYS A 217 1.813 -12.438 -46.540 1.00 0.00 N ATOM 0 H LYS A 217 -4.449 -13.603 -48.486 1.00 0.00 H new ATOM 0 HA LYS A 217 -2.304 -12.269 -49.756 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -2.463 -13.300 -47.432 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -2.263 -14.868 -48.190 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -0.107 -14.176 -47.370 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -0.052 -14.098 -49.120 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -0.332 -11.661 -49.087 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.622 -11.670 -47.359 1.00 0.00 H new ATOM 0 HE2 LYS A 217 1.991 -12.591 -48.637 1.00 0.00 H new ATOM 0 HE3 LYS A 217 1.721 -10.964 -48.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 2.797 -12.161 -46.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 1.184 -11.986 -45.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 1.724 -13.472 -46.466 1.00 0.00 H new ATOM 818 N LEU A 218 -2.950 -15.273 -50.975 1.00 0.00 N ATOM 819 CA LEU A 218 -2.790 -16.131 -52.154 1.00 0.00 C ATOM 820 C LEU A 218 -3.335 -15.442 -53.417 1.00 0.00 C ATOM 821 O LEU A 218 -2.665 -15.446 -54.449 1.00 0.00 O ATOM 822 CB LEU A 218 -3.475 -17.494 -51.907 1.00 0.00 C ATOM 823 CG LEU A 218 -2.573 -18.609 -51.337 1.00 0.00 C ATOM 824 CD1 LEU A 218 -1.568 -19.100 -52.381 1.00 0.00 C ATOM 825 CD2 LEU A 218 -1.793 -18.208 -50.083 1.00 0.00 C ATOM 0 H LEU A 218 -3.590 -15.658 -50.281 1.00 0.00 H new ATOM 0 HA LEU A 218 -1.727 -16.308 -52.321 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.308 -17.341 -51.221 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -3.898 -17.842 -52.849 1.00 0.00 H new ATOM 0 HG LEU A 218 -3.268 -19.401 -51.060 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -0.948 -19.885 -51.948 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -2.104 -19.495 -53.244 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -0.935 -18.270 -52.696 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -1.185 -19.049 -49.748 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -1.146 -17.361 -50.312 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -2.491 -17.929 -49.294 1.00 0.00 H new ATOM 837 N MET A 219 -4.509 -14.805 -53.343 1.00 0.00 N ATOM 838 CA MET A 219 -5.101 -14.054 -54.461 1.00 0.00 C ATOM 839 C MET A 219 -4.163 -12.933 -54.945 1.00 0.00 C ATOM 840 O MET A 219 -3.999 -12.743 -56.150 1.00 0.00 O ATOM 841 CB MET A 219 -6.480 -13.513 -54.045 1.00 0.00 C ATOM 842 CG MET A 219 -7.240 -12.827 -55.187 1.00 0.00 C ATOM 843 SD MET A 219 -7.656 -13.904 -56.587 1.00 0.00 S ATOM 844 CE MET A 219 -8.509 -12.701 -57.643 1.00 0.00 C ATOM 0 H MET A 219 -5.082 -14.795 -52.499 1.00 0.00 H new ATOM 0 HA MET A 219 -5.237 -14.727 -55.308 1.00 0.00 H new ATOM 0 HB2 MET A 219 -7.083 -14.336 -53.661 1.00 0.00 H new ATOM 0 HB3 MET A 219 -6.351 -12.804 -53.228 1.00 0.00 H new ATOM 0 HG2 MET A 219 -8.161 -12.404 -54.787 1.00 0.00 H new ATOM 0 HG3 MET A 219 -6.640 -11.995 -55.554 1.00 0.00 H new ATOM 0 HE1 MET A 219 -8.839 -13.191 -58.559 1.00 0.00 H new ATOM 0 HE2 MET A 219 -9.374 -12.301 -57.114 1.00 0.00 H new ATOM 0 HE3 MET A 219 -7.828 -11.887 -57.892 1.00 0.00 H new ATOM 854 N ALA A 220 -3.505 -12.219 -54.024 1.00 0.00 N ATOM 855 CA ALA A 220 -2.522 -11.181 -54.339 1.00 0.00 C ATOM 856 C ALA A 220 -1.228 -11.782 -54.930 1.00 0.00 C ATOM 857 O ALA A 220 -0.728 -11.297 -55.947 1.00 0.00 O ATOM 858 CB ALA A 220 -2.243 -10.374 -53.065 1.00 0.00 C ATOM 0 H ALA A 220 -3.645 -12.350 -53.022 1.00 0.00 H new ATOM 0 HA ALA A 220 -2.925 -10.519 -55.106 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -1.512 -9.595 -53.281 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -3.168 -9.916 -52.714 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -1.851 -11.036 -52.293 1.00 0.00 H new ATOM 864 N ARG A 221 -0.706 -12.865 -54.330 1.00 0.00 N ATOM 865 CA ARG A 221 0.499 -13.600 -54.772 1.00 0.00 C ATOM 866 C ARG A 221 0.377 -14.105 -56.216 1.00 0.00 C ATOM 867 O ARG A 221 1.299 -13.928 -57.010 1.00 0.00 O ATOM 868 CB ARG A 221 0.751 -14.747 -53.776 1.00 0.00 C ATOM 869 CG ARG A 221 2.030 -15.553 -54.044 1.00 0.00 C ATOM 870 CD ARG A 221 2.168 -16.648 -52.979 1.00 0.00 C ATOM 871 NE ARG A 221 3.390 -17.447 -53.169 1.00 0.00 N ATOM 872 CZ ARG A 221 3.757 -18.485 -52.435 1.00 0.00 C ATOM 873 NH1 ARG A 221 3.043 -18.931 -51.433 1.00 0.00 N ATOM 874 NH2 ARG A 221 4.873 -19.111 -52.692 1.00 0.00 N ATOM 0 H ARG A 221 -1.124 -13.270 -53.493 1.00 0.00 H new ATOM 0 HA ARG A 221 1.354 -12.924 -54.778 1.00 0.00 H new ATOM 0 HB2 ARG A 221 0.802 -14.332 -52.769 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -0.102 -15.425 -53.799 1.00 0.00 H new ATOM 0 HG2 ARG A 221 1.992 -15.998 -55.038 1.00 0.00 H new ATOM 0 HG3 ARG A 221 2.900 -14.896 -54.022 1.00 0.00 H new ATOM 0 HD2 ARG A 221 2.183 -16.192 -51.989 1.00 0.00 H new ATOM 0 HD3 ARG A 221 1.297 -17.302 -53.016 1.00 0.00 H new ATOM 0 HE ARG A 221 4.008 -17.177 -53.934 1.00 0.00 H new ATOM 0 HH11 ARG A 221 2.164 -18.475 -51.190 1.00 0.00 H new ATOM 0 HH12 ARG A 221 3.366 -19.735 -50.895 1.00 0.00 H new ATOM 0 HH21 ARG A 221 5.466 -18.801 -53.461 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.152 -19.911 -52.123 1.00 0.00 H new ATOM 888 N TYR A 222 -0.774 -14.684 -56.563 1.00 0.00 N ATOM 889 CA TYR A 222 -1.098 -15.172 -57.913 1.00 0.00 C ATOM 890 C TYR A 222 -1.716 -14.082 -58.819 1.00 0.00 C ATOM 891 O TYR A 222 -2.005 -14.335 -59.991 1.00 0.00 O ATOM 892 CB TYR A 222 -1.994 -16.417 -57.799 1.00 0.00 C ATOM 893 CG TYR A 222 -1.223 -17.679 -57.444 1.00 0.00 C ATOM 894 CD1 TYR A 222 -0.921 -17.986 -56.102 1.00 0.00 C ATOM 895 CD2 TYR A 222 -0.779 -18.535 -58.473 1.00 0.00 C ATOM 896 CE1 TYR A 222 -0.177 -19.141 -55.790 1.00 0.00 C ATOM 897 CE2 TYR A 222 -0.043 -19.696 -58.164 1.00 0.00 C ATOM 898 CZ TYR A 222 0.262 -20.001 -56.819 1.00 0.00 C ATOM 899 OH TYR A 222 0.975 -21.119 -56.507 1.00 0.00 O ATOM 0 H TYR A 222 -1.531 -14.833 -55.896 1.00 0.00 H new ATOM 0 HA TYR A 222 -0.167 -15.449 -58.408 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -2.757 -16.240 -57.041 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -2.514 -16.570 -58.745 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -1.261 -17.334 -55.311 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -1.004 -18.300 -59.503 1.00 0.00 H new ATOM 0 HE1 TYR A 222 0.058 -19.369 -54.761 1.00 0.00 H new ATOM 0 HE2 TYR A 222 0.288 -20.352 -58.955 1.00 0.00 H new ATOM 0 HH TYR A 222 1.200 -21.603 -57.329 1.00 0.00 H new ATOM 909 N GLY A 223 -1.888 -12.857 -58.307 1.00 0.00 N ATOM 910 CA GLY A 223 -2.423 -11.693 -59.028 1.00 0.00 C ATOM 911 C GLY A 223 -1.386 -10.956 -59.891 1.00 0.00 C ATOM 912 O GLY A 223 -1.716 -9.949 -60.523 1.00 0.00 O ATOM 0 H GLY A 223 -1.649 -12.640 -57.340 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -3.244 -12.021 -59.666 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.841 -10.993 -58.305 1.00 0.00 H new ATOM 916 N ARG A 224 -0.144 -11.458 -59.932 1.00 0.00 N ATOM 917 CA ARG A 224 0.994 -10.939 -60.710 1.00 0.00 C ATOM 918 C ARG A 224 1.800 -12.079 -61.344 1.00 0.00 C ATOM 919 O ARG A 224 1.760 -13.213 -60.864 1.00 0.00 O ATOM 920 CB ARG A 224 1.847 -9.985 -59.842 1.00 0.00 C ATOM 921 CG ARG A 224 2.342 -10.484 -58.468 1.00 0.00 C ATOM 922 CD ARG A 224 3.460 -11.531 -58.542 1.00 0.00 C ATOM 923 NE ARG A 224 4.088 -11.740 -57.225 1.00 0.00 N ATOM 924 CZ ARG A 224 5.195 -12.427 -56.992 1.00 0.00 C ATOM 925 NH1 ARG A 224 5.874 -13.018 -57.942 1.00 0.00 N ATOM 926 NH2 ARG A 224 5.658 -12.535 -55.776 1.00 0.00 N ATOM 0 H ARG A 224 0.110 -12.285 -59.392 1.00 0.00 H new ATOM 0 HA ARG A 224 0.618 -10.348 -61.545 1.00 0.00 H new ATOM 0 HB2 ARG A 224 2.722 -9.699 -60.426 1.00 0.00 H new ATOM 0 HB3 ARG A 224 1.265 -9.079 -59.675 1.00 0.00 H new ATOM 0 HG2 ARG A 224 2.697 -9.630 -57.891 1.00 0.00 H new ATOM 0 HG3 ARG A 224 1.499 -10.908 -57.923 1.00 0.00 H new ATOM 0 HD2 ARG A 224 3.054 -12.474 -58.907 1.00 0.00 H new ATOM 0 HD3 ARG A 224 4.215 -11.210 -59.260 1.00 0.00 H new ATOM 0 HE ARG A 224 3.627 -11.316 -56.420 1.00 0.00 H new ATOM 0 HH11 ARG A 224 5.555 -12.960 -58.909 1.00 0.00 H new ATOM 0 HH12 ARG A 224 6.722 -13.537 -57.715 1.00 0.00 H new ATOM 0 HH21 ARG A 224 5.166 -12.089 -55.002 1.00 0.00 H new ATOM 0 HH22 ARG A 224 6.511 -13.065 -55.600 1.00 0.00 H new ATOM 940 N LEU A 225 2.513 -11.777 -62.433 1.00 0.00 N ATOM 941 CA LEU A 225 3.317 -12.752 -63.197 1.00 0.00 C ATOM 942 C LEU A 225 4.524 -12.170 -63.966 1.00 0.00 C ATOM 943 O LEU A 225 5.358 -12.936 -64.454 1.00 0.00 O ATOM 944 CB LEU A 225 2.399 -13.571 -64.137 1.00 0.00 C ATOM 945 CG LEU A 225 1.850 -12.867 -65.399 1.00 0.00 C ATOM 946 CD1 LEU A 225 1.125 -13.898 -66.268 1.00 0.00 C ATOM 947 CD2 LEU A 225 0.853 -11.744 -65.098 1.00 0.00 C ATOM 0 H LEU A 225 2.552 -10.834 -62.820 1.00 0.00 H new ATOM 0 HA LEU A 225 3.771 -13.400 -62.447 1.00 0.00 H new ATOM 0 HB2 LEU A 225 2.951 -14.454 -64.459 1.00 0.00 H new ATOM 0 HB3 LEU A 225 1.549 -13.922 -63.553 1.00 0.00 H new ATOM 0 HG LEU A 225 2.712 -12.424 -65.898 1.00 0.00 H new ATOM 0 HD11 LEU A 225 0.734 -13.411 -67.161 1.00 0.00 H new ATOM 0 HD12 LEU A 225 1.823 -14.683 -66.559 1.00 0.00 H new ATOM 0 HD13 LEU A 225 0.302 -14.335 -65.703 1.00 0.00 H new ATOM 0 HD21 LEU A 225 0.513 -11.299 -66.033 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -0.002 -12.151 -64.558 1.00 0.00 H new ATOM 0 HD23 LEU A 225 1.337 -10.981 -64.488 1.00 0.00 H new ATOM 959 N ALA A 226 4.632 -10.842 -64.079 1.00 0.00 N ATOM 960 CA ALA A 226 5.712 -10.136 -64.786 1.00 0.00 C ATOM 961 C ALA A 226 6.113 -8.816 -64.078 1.00 0.00 C ATOM 962 O ALA A 226 6.670 -7.903 -64.693 1.00 0.00 O ATOM 963 CB ALA A 226 5.247 -9.910 -66.234 1.00 0.00 C ATOM 0 H ALA A 226 3.949 -10.206 -63.668 1.00 0.00 H new ATOM 0 HA ALA A 226 6.619 -10.740 -64.781 1.00 0.00 H new ATOM 0 HB1 ALA A 226 6.026 -9.387 -66.789 1.00 0.00 H new ATOM 0 HB2 ALA A 226 5.048 -10.872 -66.707 1.00 0.00 H new ATOM 0 HB3 ALA A 226 4.337 -9.311 -66.234 1.00 0.00 H new ATOM 969 N ASP A 227 5.801 -8.702 -62.783 1.00 0.00 N ATOM 970 CA ASP A 227 6.023 -7.523 -61.935 1.00 0.00 C ATOM 971 C ASP A 227 6.165 -7.901 -60.450 1.00 0.00 C ATOM 972 O ASP A 227 5.527 -8.849 -59.970 1.00 0.00 O ATOM 973 CB ASP A 227 4.863 -6.527 -62.134 1.00 0.00 C ATOM 974 CG ASP A 227 3.494 -7.083 -61.710 1.00 0.00 C ATOM 975 OD1 ASP A 227 2.936 -7.925 -62.458 1.00 0.00 O ATOM 976 OD2 ASP A 227 3.001 -6.662 -60.637 1.00 0.00 O ATOM 0 H ASP A 227 5.364 -9.468 -62.270 1.00 0.00 H new ATOM 0 HA ASP A 227 6.962 -7.057 -62.234 1.00 0.00 H new ATOM 0 HB2 ASP A 227 5.071 -5.622 -61.563 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.819 -6.239 -63.184 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -10.719 -10.263 -40.808 1.00 0.00 ZN