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 31:sc= 0.101 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.35) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 177 ASN : amide:sc= 0.789 K(o=0.79,f=-0.046) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ -113:sc=-0.00011 (180deg=-0.539) 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= -0.0674 X(o=-0.067,f=-0.067) USER MOD Single : A 199 MET CE :methyl 159:sc= 0 (180deg=-0.0805) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.064) USER MOD Single : A 204 TYR OH : rot -16:sc= 0.197 USER MOD Single : A 207 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00752) USER MOD Single : A 208 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.047) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.6!) USER MOD Single : A 214 THR OG1 : rot 8:sc= 0.444 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.03) 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 -10.734 6.587 -18.981 1.00 0.00 N ATOM 2 CA SER A 168 -10.075 6.751 -20.285 1.00 0.00 C ATOM 3 C SER A 168 -8.599 6.309 -20.299 1.00 0.00 C ATOM 4 O SER A 168 -7.936 6.386 -21.337 1.00 0.00 O ATOM 5 CB SER A 168 -10.180 8.215 -20.744 1.00 0.00 C ATOM 6 OG SER A 168 -11.533 8.656 -20.773 1.00 0.00 O ATOM 0 HA SER A 168 -10.601 6.091 -20.975 1.00 0.00 H new ATOM 0 HB2 SER A 168 -9.603 8.851 -20.072 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.741 8.319 -21.736 1.00 0.00 H new ATOM 0 HG SER A 168 -12.043 8.193 -20.076 1.00 0.00 H new ATOM 12 N THR A 169 -8.068 5.848 -19.163 1.00 0.00 N ATOM 13 CA THR A 169 -6.679 5.376 -19.010 1.00 0.00 C ATOM 14 C THR A 169 -6.397 4.095 -19.813 1.00 0.00 C ATOM 15 O THR A 169 -7.229 3.183 -19.878 1.00 0.00 O ATOM 16 CB THR A 169 -6.331 5.140 -17.526 1.00 0.00 C ATOM 17 OG1 THR A 169 -7.331 4.383 -16.871 1.00 0.00 O ATOM 18 CG2 THR A 169 -6.197 6.463 -16.768 1.00 0.00 C ATOM 0 H THR A 169 -8.604 5.789 -18.297 1.00 0.00 H new ATOM 0 HA THR A 169 -6.046 6.168 -19.410 1.00 0.00 H new ATOM 0 HB THR A 169 -5.384 4.600 -17.522 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.079 4.250 -15.933 1.00 0.00 H new ATOM 0 HG21 THR A 169 -5.951 6.262 -15.725 1.00 0.00 H new ATOM 0 HG22 THR A 169 -5.405 7.062 -17.218 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.139 7.009 -16.820 1.00 0.00 H new ATOM 26 N LYS A 170 -5.208 4.025 -20.435 1.00 0.00 N ATOM 27 CA LYS A 170 -4.748 2.887 -21.267 1.00 0.00 C ATOM 28 C LYS A 170 -3.235 2.593 -21.191 1.00 0.00 C ATOM 29 O LYS A 170 -2.710 1.846 -22.017 1.00 0.00 O ATOM 30 CB LYS A 170 -5.235 3.091 -22.719 1.00 0.00 C ATOM 31 CG LYS A 170 -4.602 4.296 -23.434 1.00 0.00 C ATOM 32 CD LYS A 170 -5.095 4.389 -24.883 1.00 0.00 C ATOM 33 CE LYS A 170 -4.438 5.578 -25.590 1.00 0.00 C ATOM 34 NZ LYS A 170 -4.861 5.658 -27.004 1.00 0.00 N ATOM 0 H LYS A 170 -4.519 4.774 -20.375 1.00 0.00 H new ATOM 0 HA LYS A 170 -5.199 1.987 -20.849 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -5.020 2.189 -23.292 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -6.318 3.214 -22.713 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -4.851 5.213 -22.901 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -3.516 4.204 -23.420 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -4.861 3.466 -25.414 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -6.179 4.501 -24.899 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -4.702 6.502 -25.076 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -3.354 5.482 -25.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -4.401 6.472 -27.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -4.587 4.785 -27.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -5.894 5.773 -27.051 1.00 0.00 H new ATOM 48 N VAL A 171 -2.535 3.172 -20.208 1.00 0.00 N ATOM 49 CA VAL A 171 -1.076 3.017 -19.994 1.00 0.00 C ATOM 50 C VAL A 171 -0.761 2.704 -18.526 1.00 0.00 C ATOM 51 O VAL A 171 -0.031 1.757 -18.238 1.00 0.00 O ATOM 52 CB VAL A 171 -0.306 4.279 -20.454 1.00 0.00 C ATOM 53 CG1 VAL A 171 1.213 4.077 -20.373 1.00 0.00 C ATOM 54 CG2 VAL A 171 -0.638 4.675 -21.901 1.00 0.00 C ATOM 0 H VAL A 171 -2.973 3.780 -19.516 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.745 2.175 -20.601 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.623 5.070 -19.775 1.00 0.00 H new ATOM 0 HG11 VAL A 171 1.719 4.984 -20.704 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.497 3.858 -19.344 1.00 0.00 H new ATOM 0 HG13 VAL A 171 1.504 3.245 -21.014 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -0.072 5.566 -22.174 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.374 3.857 -22.572 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -1.705 4.883 -21.986 1.00 0.00 H new ATOM 64 N GLU A 172 -1.345 3.452 -17.585 1.00 0.00 N ATOM 65 CA GLU A 172 -1.187 3.267 -16.129 1.00 0.00 C ATOM 66 C GLU A 172 -2.115 2.155 -15.580 1.00 0.00 C ATOM 67 O GLU A 172 -2.817 2.333 -14.581 1.00 0.00 O ATOM 68 CB GLU A 172 -1.390 4.615 -15.408 1.00 0.00 C ATOM 69 CG GLU A 172 -0.344 5.663 -15.818 1.00 0.00 C ATOM 70 CD GLU A 172 -0.507 6.951 -15.000 1.00 0.00 C ATOM 71 OE1 GLU A 172 -1.316 7.816 -15.416 1.00 0.00 O ATOM 72 OE2 GLU A 172 0.177 7.078 -13.955 1.00 0.00 O ATOM 0 H GLU A 172 -1.962 4.230 -17.818 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.171 2.926 -15.930 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -2.387 4.995 -15.629 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -1.340 4.458 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 172 0.658 5.259 -15.671 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.445 5.887 -16.880 1.00 0.00 H new ATOM 79 N ALA A 173 -2.152 1.005 -16.263 1.00 0.00 N ATOM 80 CA ALA A 173 -2.968 -0.160 -15.908 1.00 0.00 C ATOM 81 C ALA A 173 -2.605 -0.758 -14.528 1.00 0.00 C ATOM 82 O ALA A 173 -1.473 -0.621 -14.049 1.00 0.00 O ATOM 83 CB ALA A 173 -2.818 -1.202 -17.025 1.00 0.00 C ATOM 0 H ALA A 173 -1.596 0.856 -17.105 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.007 0.156 -15.817 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -3.416 -2.081 -16.785 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.160 -0.776 -17.968 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -1.771 -1.490 -17.116 1.00 0.00 H new ATOM 89 N LEU A 174 -3.562 -1.462 -13.909 1.00 0.00 N ATOM 90 CA LEU A 174 -3.424 -2.113 -12.597 1.00 0.00 C ATOM 91 C LEU A 174 -3.518 -3.646 -12.698 1.00 0.00 C ATOM 92 O LEU A 174 -4.196 -4.200 -13.568 1.00 0.00 O ATOM 93 CB LEU A 174 -4.507 -1.573 -11.630 1.00 0.00 C ATOM 94 CG LEU A 174 -4.122 -0.381 -10.731 1.00 0.00 C ATOM 95 CD1 LEU A 174 -3.021 -0.747 -9.730 1.00 0.00 C ATOM 96 CD2 LEU A 174 -3.686 0.856 -11.514 1.00 0.00 C ATOM 0 H LEU A 174 -4.485 -1.599 -14.321 1.00 0.00 H new ATOM 0 HA LEU A 174 -2.433 -1.875 -12.210 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.374 -1.282 -12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -4.823 -2.393 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.038 -0.135 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.782 0.123 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.367 -1.558 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.130 -1.067 -10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -3.430 1.655 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -2.816 0.613 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.501 1.184 -12.159 1.00 0.00 H new ATOM 108 N HIS A 175 -2.843 -4.326 -11.766 1.00 0.00 N ATOM 109 CA HIS A 175 -2.811 -5.789 -11.628 1.00 0.00 C ATOM 110 C HIS A 175 -4.165 -6.378 -11.187 1.00 0.00 C ATOM 111 O HIS A 175 -4.988 -5.693 -10.576 1.00 0.00 O ATOM 112 CB HIS A 175 -1.691 -6.161 -10.634 1.00 0.00 C ATOM 113 CG HIS A 175 -1.769 -5.437 -9.308 1.00 0.00 C ATOM 114 ND1 HIS A 175 -1.011 -4.338 -8.943 1.00 0.00 N ATOM 115 CD2 HIS A 175 -2.612 -5.721 -8.267 1.00 0.00 C ATOM 116 CE1 HIS A 175 -1.388 -3.959 -7.707 1.00 0.00 C ATOM 117 NE2 HIS A 175 -2.361 -4.787 -7.279 1.00 0.00 N ATOM 0 H HIS A 175 -2.281 -3.855 -11.057 1.00 0.00 H new ATOM 0 HA HIS A 175 -2.607 -6.224 -12.606 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -1.726 -7.235 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -0.727 -5.948 -11.095 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -3.335 -6.522 -8.226 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -0.978 -3.129 -7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -2.834 -4.734 -6.377 1.00 0.00 H new ATOM 126 N GLN A 176 -4.361 -7.674 -11.454 1.00 0.00 N ATOM 127 CA GLN A 176 -5.538 -8.481 -11.076 1.00 0.00 C ATOM 128 C GLN A 176 -6.914 -7.874 -11.462 1.00 0.00 C ATOM 129 O GLN A 176 -7.925 -8.135 -10.805 1.00 0.00 O ATOM 130 CB GLN A 176 -5.403 -8.845 -9.579 1.00 0.00 C ATOM 131 CG GLN A 176 -6.096 -10.163 -9.186 1.00 0.00 C ATOM 132 CD GLN A 176 -5.960 -10.504 -7.699 1.00 0.00 C ATOM 133 OE1 GLN A 176 -5.236 -9.881 -6.929 1.00 0.00 O ATOM 134 NE2 GLN A 176 -6.657 -11.517 -7.225 1.00 0.00 N ATOM 0 H GLN A 176 -3.670 -8.222 -11.966 1.00 0.00 H new ATOM 0 HA GLN A 176 -5.536 -9.391 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -4.345 -8.915 -9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -5.820 -8.035 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -7.154 -10.098 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -5.675 -10.976 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -7.266 -12.051 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -6.587 -11.767 -6.239 1.00 0.00 H new ATOM 143 N ASN A 177 -6.980 -7.049 -12.517 1.00 0.00 N ATOM 144 CA ASN A 177 -8.231 -6.421 -12.964 1.00 0.00 C ATOM 145 C ASN A 177 -9.235 -7.450 -13.534 1.00 0.00 C ATOM 146 O ASN A 177 -8.843 -8.458 -14.132 1.00 0.00 O ATOM 147 CB ASN A 177 -7.912 -5.311 -13.984 1.00 0.00 C ATOM 148 CG ASN A 177 -9.104 -4.388 -14.188 1.00 0.00 C ATOM 149 OD1 ASN A 177 -9.628 -3.805 -13.250 1.00 0.00 O ATOM 150 ND2 ASN A 177 -9.612 -4.251 -15.390 1.00 0.00 N ATOM 0 H ASN A 177 -6.169 -6.799 -13.083 1.00 0.00 H new ATOM 0 HA ASN A 177 -8.719 -5.976 -12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -7.056 -4.732 -13.638 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -7.630 -5.760 -14.936 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -10.434 -3.664 -15.532 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.185 -4.732 -16.182 1.00 0.00 H new ATOM 157 N ARG A 178 -10.540 -7.189 -13.366 1.00 0.00 N ATOM 158 CA ARG A 178 -11.646 -8.057 -13.827 1.00 0.00 C ATOM 159 C ARG A 178 -11.822 -8.165 -15.349 1.00 0.00 C ATOM 160 O ARG A 178 -12.485 -9.099 -15.800 1.00 0.00 O ATOM 161 CB ARG A 178 -12.962 -7.603 -13.150 1.00 0.00 C ATOM 162 CG ARG A 178 -13.331 -8.481 -11.937 1.00 0.00 C ATOM 163 CD ARG A 178 -14.255 -9.664 -12.278 1.00 0.00 C ATOM 164 NE ARG A 178 -13.793 -10.446 -13.440 1.00 0.00 N ATOM 165 CZ ARG A 178 -14.082 -11.704 -13.727 1.00 0.00 C ATOM 166 NH1 ARG A 178 -14.802 -12.468 -12.945 1.00 0.00 N ATOM 167 NH2 ARG A 178 -13.646 -12.224 -14.841 1.00 0.00 N ATOM 0 H ARG A 178 -10.869 -6.347 -12.894 1.00 0.00 H new ATOM 0 HA ARG A 178 -11.375 -9.068 -13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -12.863 -6.566 -12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -13.772 -7.635 -13.878 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -12.415 -8.866 -11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -13.817 -7.859 -11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -14.328 -10.321 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -15.258 -9.287 -12.477 1.00 0.00 H new ATOM 0 HE ARG A 178 -13.181 -9.961 -14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -15.169 -12.098 -12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -14.996 -13.433 -13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -13.087 -11.661 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -13.864 -13.194 -15.071 1.00 0.00 H new ATOM 181 N GLU A 179 -11.256 -7.250 -16.136 1.00 0.00 N ATOM 182 CA GLU A 179 -11.377 -7.228 -17.605 1.00 0.00 C ATOM 183 C GLU A 179 -10.120 -6.652 -18.293 1.00 0.00 C ATOM 184 O GLU A 179 -9.380 -5.859 -17.704 1.00 0.00 O ATOM 185 CB GLU A 179 -12.637 -6.409 -17.957 1.00 0.00 C ATOM 186 CG GLU A 179 -13.097 -6.556 -19.414 1.00 0.00 C ATOM 187 CD GLU A 179 -14.447 -5.860 -19.635 1.00 0.00 C ATOM 188 OE1 GLU A 179 -14.448 -4.620 -19.831 1.00 0.00 O ATOM 189 OE2 GLU A 179 -15.486 -6.563 -19.607 1.00 0.00 O ATOM 0 H GLU A 179 -10.688 -6.486 -15.769 1.00 0.00 H new ATOM 0 HA GLU A 179 -11.468 -8.249 -17.976 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -13.450 -6.714 -17.299 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -12.441 -5.356 -17.754 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -12.349 -6.127 -20.081 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -13.182 -7.613 -19.668 1.00 0.00 H new ATOM 196 N MET A 180 -9.879 -7.041 -19.550 1.00 0.00 N ATOM 197 CA MET A 180 -8.757 -6.562 -20.373 1.00 0.00 C ATOM 198 C MET A 180 -9.001 -5.153 -20.951 1.00 0.00 C ATOM 199 O MET A 180 -10.143 -4.703 -21.086 1.00 0.00 O ATOM 200 CB MET A 180 -8.517 -7.547 -21.534 1.00 0.00 C ATOM 201 CG MET A 180 -7.911 -8.878 -21.073 1.00 0.00 C ATOM 202 SD MET A 180 -6.222 -8.746 -20.418 1.00 0.00 S ATOM 203 CE MET A 180 -5.871 -10.502 -20.132 1.00 0.00 C ATOM 0 H MET A 180 -10.471 -7.714 -20.037 1.00 0.00 H new ATOM 0 HA MET A 180 -7.884 -6.504 -19.724 1.00 0.00 H new ATOM 0 HB2 MET A 180 -9.462 -7.740 -22.041 1.00 0.00 H new ATOM 0 HB3 MET A 180 -7.853 -7.085 -22.264 1.00 0.00 H new ATOM 0 HG2 MET A 180 -8.553 -9.309 -20.305 1.00 0.00 H new ATOM 0 HG3 MET A 180 -7.909 -9.573 -21.913 1.00 0.00 H new ATOM 0 HE1 MET A 180 -4.865 -10.611 -19.726 1.00 0.00 H new ATOM 0 HE2 MET A 180 -6.594 -10.907 -19.424 1.00 0.00 H new ATOM 0 HE3 MET A 180 -5.943 -11.046 -21.074 1.00 0.00 H new ATOM 213 N ILE A 181 -7.917 -4.472 -21.338 1.00 0.00 N ATOM 214 CA ILE A 181 -7.940 -3.154 -21.996 1.00 0.00 C ATOM 215 C ILE A 181 -8.560 -3.254 -23.409 1.00 0.00 C ATOM 216 O ILE A 181 -8.574 -4.322 -24.021 1.00 0.00 O ATOM 217 CB ILE A 181 -6.515 -2.540 -21.970 1.00 0.00 C ATOM 218 CG1 ILE A 181 -6.426 -1.078 -22.464 1.00 0.00 C ATOM 219 CG2 ILE A 181 -5.486 -3.399 -22.730 1.00 0.00 C ATOM 220 CD1 ILE A 181 -7.310 -0.100 -21.678 1.00 0.00 C ATOM 0 H ILE A 181 -6.972 -4.829 -21.200 1.00 0.00 H new ATOM 0 HA ILE A 181 -8.588 -2.469 -21.449 1.00 0.00 H new ATOM 0 HB ILE A 181 -6.268 -2.531 -20.908 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -5.390 -0.746 -22.401 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -6.709 -1.043 -23.516 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -4.507 -2.923 -22.680 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -5.432 -4.389 -22.276 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -5.790 -3.494 -23.772 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -7.192 0.904 -22.085 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -8.353 -0.405 -21.761 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -7.013 -0.104 -20.629 1.00 0.00 H new ATOM 232 N ASP A 182 -9.087 -2.144 -23.930 1.00 0.00 N ATOM 233 CA ASP A 182 -9.809 -2.043 -25.212 1.00 0.00 C ATOM 234 C ASP A 182 -9.176 -1.076 -26.248 1.00 0.00 C ATOM 235 O ASP A 182 -9.797 -0.079 -26.633 1.00 0.00 O ATOM 236 CB ASP A 182 -11.294 -1.745 -24.905 1.00 0.00 C ATOM 237 CG ASP A 182 -11.577 -0.341 -24.339 1.00 0.00 C ATOM 238 OD1 ASP A 182 -10.811 0.119 -23.456 1.00 0.00 O ATOM 239 OD2 ASP A 182 -12.593 0.266 -24.757 1.00 0.00 O ATOM 0 H ASP A 182 -9.022 -1.246 -23.451 1.00 0.00 H new ATOM 0 HA ASP A 182 -9.728 -3.001 -25.725 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -11.871 -1.873 -25.821 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.657 -2.486 -24.193 1.00 0.00 H new ATOM 244 N PRO A 183 -7.942 -1.343 -26.721 1.00 0.00 N ATOM 245 CA PRO A 183 -7.266 -0.528 -27.732 1.00 0.00 C ATOM 246 C PRO A 183 -7.836 -0.776 -29.142 1.00 0.00 C ATOM 247 O PRO A 183 -8.525 -1.769 -29.398 1.00 0.00 O ATOM 248 CB PRO A 183 -5.797 -0.961 -27.658 1.00 0.00 C ATOM 249 CG PRO A 183 -5.901 -2.442 -27.300 1.00 0.00 C ATOM 250 CD PRO A 183 -7.102 -2.478 -26.360 1.00 0.00 C ATOM 0 HA PRO A 183 -7.401 0.537 -27.544 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -5.282 -0.809 -28.606 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -5.247 -0.400 -26.903 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.059 -3.062 -28.183 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -4.996 -2.805 -26.814 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -7.649 -3.415 -26.465 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -6.783 -2.410 -25.320 1.00 0.00 H new ATOM 258 N ASP A 184 -7.510 0.108 -30.088 1.00 0.00 N ATOM 259 CA ASP A 184 -7.896 -0.041 -31.497 1.00 0.00 C ATOM 260 C ASP A 184 -7.007 -1.074 -32.223 1.00 0.00 C ATOM 261 O ASP A 184 -5.797 -1.139 -31.982 1.00 0.00 O ATOM 262 CB ASP A 184 -7.850 1.321 -32.208 1.00 0.00 C ATOM 263 CG ASP A 184 -6.431 1.884 -32.366 1.00 0.00 C ATOM 264 OD1 ASP A 184 -5.880 2.374 -31.350 1.00 0.00 O ATOM 265 OD2 ASP A 184 -5.905 1.843 -33.504 1.00 0.00 O ATOM 0 H ASP A 184 -6.969 0.952 -29.899 1.00 0.00 H new ATOM 0 HA ASP A 184 -8.919 -0.416 -31.529 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -8.305 1.222 -33.194 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -8.455 2.034 -31.648 1.00 0.00 H new ATOM 270 N LYS A 185 -7.597 -1.867 -33.127 1.00 0.00 N ATOM 271 CA LYS A 185 -6.932 -2.901 -33.935 1.00 0.00 C ATOM 272 C LYS A 185 -7.461 -2.897 -35.372 1.00 0.00 C ATOM 273 O LYS A 185 -8.542 -2.372 -35.642 1.00 0.00 O ATOM 274 CB LYS A 185 -7.160 -4.276 -33.278 1.00 0.00 C ATOM 275 CG LYS A 185 -6.378 -4.513 -31.978 1.00 0.00 C ATOM 276 CD LYS A 185 -4.863 -4.632 -32.220 1.00 0.00 C ATOM 277 CE LYS A 185 -4.100 -4.987 -30.940 1.00 0.00 C ATOM 278 NZ LYS A 185 -4.109 -3.869 -29.973 1.00 0.00 N ATOM 0 H LYS A 185 -8.596 -1.803 -33.325 1.00 0.00 H new ATOM 0 HA LYS A 185 -5.863 -2.690 -33.977 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -8.224 -4.390 -33.070 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -6.890 -5.053 -33.993 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -6.570 -3.692 -31.287 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -6.740 -5.423 -31.500 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -4.676 -5.395 -32.976 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -4.485 -3.690 -32.617 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -4.548 -5.869 -30.482 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -3.071 -5.245 -31.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -3.144 -3.495 -29.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -4.736 -3.115 -30.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.453 -4.209 -29.052 1.00 0.00 H new ATOM 292 N PHE A 186 -6.707 -3.500 -36.288 1.00 0.00 N ATOM 293 CA PHE A 186 -7.030 -3.582 -37.716 1.00 0.00 C ATOM 294 C PHE A 186 -6.508 -4.886 -38.346 1.00 0.00 C ATOM 295 O PHE A 186 -5.493 -5.434 -37.905 1.00 0.00 O ATOM 296 CB PHE A 186 -6.423 -2.349 -38.416 1.00 0.00 C ATOM 297 CG PHE A 186 -6.608 -2.295 -39.923 1.00 0.00 C ATOM 298 CD1 PHE A 186 -7.884 -2.063 -40.469 1.00 0.00 C ATOM 299 CD2 PHE A 186 -5.509 -2.478 -40.786 1.00 0.00 C ATOM 300 CE1 PHE A 186 -8.074 -2.062 -41.862 1.00 0.00 C ATOM 301 CE2 PHE A 186 -5.691 -2.436 -42.181 1.00 0.00 C ATOM 302 CZ PHE A 186 -6.975 -2.243 -42.720 1.00 0.00 C ATOM 0 H PHE A 186 -5.827 -3.960 -36.053 1.00 0.00 H new ATOM 0 HA PHE A 186 -8.113 -3.591 -37.842 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -6.864 -1.452 -37.981 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -5.356 -2.318 -38.197 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -8.723 -1.884 -39.813 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -4.525 -2.651 -40.376 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -9.063 -1.922 -42.273 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -4.842 -2.552 -42.839 1.00 0.00 H new ATOM 0 HZ PHE A 186 -7.117 -2.234 -43.791 1.00 0.00 H new ATOM 312 N CYS A 187 -7.192 -5.360 -39.389 1.00 0.00 N ATOM 313 CA CYS A 187 -6.867 -6.554 -40.165 1.00 0.00 C ATOM 314 C CYS A 187 -6.638 -6.158 -41.635 1.00 0.00 C ATOM 315 O CYS A 187 -7.577 -5.913 -42.401 1.00 0.00 O ATOM 316 CB CYS A 187 -7.987 -7.594 -39.992 1.00 0.00 C ATOM 317 SG CYS A 187 -7.470 -9.190 -40.696 1.00 0.00 S ATOM 0 H CYS A 187 -8.032 -4.895 -39.732 1.00 0.00 H new ATOM 0 HA CYS A 187 -5.945 -7.012 -39.807 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.223 -7.713 -38.935 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -8.895 -7.247 -40.485 1.00 0.00 H new ATOM 322 N SER A 188 -5.367 -6.062 -42.032 1.00 0.00 N ATOM 323 CA SER A 188 -4.947 -5.687 -43.392 1.00 0.00 C ATOM 324 C SER A 188 -5.246 -6.749 -44.462 1.00 0.00 C ATOM 325 O SER A 188 -5.142 -6.462 -45.658 1.00 0.00 O ATOM 326 CB SER A 188 -3.450 -5.352 -43.396 1.00 0.00 C ATOM 327 OG SER A 188 -2.685 -6.453 -42.923 1.00 0.00 O ATOM 0 H SER A 188 -4.582 -6.246 -41.407 1.00 0.00 H new ATOM 0 HA SER A 188 -5.542 -4.815 -43.662 1.00 0.00 H new ATOM 0 HB2 SER A 188 -3.134 -5.091 -44.406 1.00 0.00 H new ATOM 0 HB3 SER A 188 -3.266 -4.480 -42.769 1.00 0.00 H new ATOM 0 HG SER A 188 -1.733 -6.219 -42.935 1.00 0.00 H new ATOM 333 N LEU A 189 -5.642 -7.959 -44.054 1.00 0.00 N ATOM 334 CA LEU A 189 -5.980 -9.081 -44.939 1.00 0.00 C ATOM 335 C LEU A 189 -7.500 -9.196 -45.197 1.00 0.00 C ATOM 336 O LEU A 189 -7.902 -9.903 -46.127 1.00 0.00 O ATOM 337 CB LEU A 189 -5.399 -10.383 -44.349 1.00 0.00 C ATOM 338 CG LEU A 189 -3.881 -10.345 -44.065 1.00 0.00 C ATOM 339 CD1 LEU A 189 -3.412 -11.670 -43.460 1.00 0.00 C ATOM 340 CD2 LEU A 189 -3.050 -10.085 -45.325 1.00 0.00 C ATOM 0 H LEU A 189 -5.740 -8.193 -43.066 1.00 0.00 H new ATOM 0 HA LEU A 189 -5.531 -8.897 -45.915 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -5.923 -10.610 -43.420 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -5.605 -11.201 -45.039 1.00 0.00 H new ATOM 0 HG LEU A 189 -3.728 -9.522 -43.367 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.340 -11.623 -43.267 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -3.941 -11.850 -42.524 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.620 -12.482 -44.157 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -1.991 -10.069 -45.066 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.234 -10.876 -46.052 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.333 -9.124 -45.756 1.00 0.00 H new ATOM 352 N CYS A 190 -8.317 -8.478 -44.413 1.00 0.00 N ATOM 353 CA CYS A 190 -9.785 -8.455 -44.470 1.00 0.00 C ATOM 354 C CYS A 190 -10.387 -7.035 -44.586 1.00 0.00 C ATOM 355 O CYS A 190 -11.591 -6.903 -44.832 1.00 0.00 O ATOM 356 CB CYS A 190 -10.328 -9.115 -43.184 1.00 0.00 C ATOM 357 SG CYS A 190 -9.815 -10.850 -42.987 1.00 0.00 S ATOM 0 H CYS A 190 -7.952 -7.865 -43.684 1.00 0.00 H new ATOM 0 HA CYS A 190 -10.077 -8.993 -45.372 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -9.988 -8.544 -42.320 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.417 -9.065 -43.191 1.00 0.00 H new ATOM 362 N HIS A 191 -9.582 -5.980 -44.386 1.00 0.00 N ATOM 363 CA HIS A 191 -10.004 -4.570 -44.341 1.00 0.00 C ATOM 364 C HIS A 191 -11.109 -4.359 -43.284 1.00 0.00 C ATOM 365 O HIS A 191 -12.206 -3.873 -43.573 1.00 0.00 O ATOM 366 CB HIS A 191 -10.319 -4.046 -45.754 1.00 0.00 C ATOM 367 CG HIS A 191 -10.351 -2.539 -45.831 1.00 0.00 C ATOM 368 ND1 HIS A 191 -9.251 -1.712 -45.965 1.00 0.00 N ATOM 369 CD2 HIS A 191 -11.463 -1.744 -45.771 1.00 0.00 C ATOM 370 CE1 HIS A 191 -9.685 -0.437 -45.985 1.00 0.00 C ATOM 371 NE2 HIS A 191 -11.028 -0.435 -45.867 1.00 0.00 N ATOM 0 H HIS A 191 -8.578 -6.090 -44.245 1.00 0.00 H new ATOM 0 HA HIS A 191 -9.179 -3.945 -43.998 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -9.571 -4.424 -46.451 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -11.283 -4.441 -46.076 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -12.486 -2.076 -45.668 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -9.060 0.439 -46.080 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -11.623 0.393 -45.851 1.00 0.00 H new ATOM 380 N ALA A 192 -10.806 -4.768 -42.048 1.00 0.00 N ATOM 381 CA ALA A 192 -11.694 -4.731 -40.882 1.00 0.00 C ATOM 382 C ALA A 192 -11.009 -4.050 -39.682 1.00 0.00 C ATOM 383 O ALA A 192 -9.801 -4.197 -39.497 1.00 0.00 O ATOM 384 CB ALA A 192 -12.105 -6.175 -40.552 1.00 0.00 C ATOM 0 H ALA A 192 -9.889 -5.153 -41.822 1.00 0.00 H new ATOM 0 HA ALA A 192 -12.581 -4.139 -41.107 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -12.767 -6.176 -39.686 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -12.624 -6.610 -41.406 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -11.216 -6.764 -40.329 1.00 0.00 H new ATOM 390 N THR A 193 -11.776 -3.317 -38.868 1.00 0.00 N ATOM 391 CA THR A 193 -11.287 -2.534 -37.710 1.00 0.00 C ATOM 392 C THR A 193 -12.031 -2.931 -36.431 1.00 0.00 C ATOM 393 O THR A 193 -13.218 -3.270 -36.486 1.00 0.00 O ATOM 394 CB THR A 193 -11.475 -1.024 -37.972 1.00 0.00 C ATOM 395 OG1 THR A 193 -10.991 -0.672 -39.254 1.00 0.00 O ATOM 396 CG2 THR A 193 -10.734 -0.129 -36.976 1.00 0.00 C ATOM 0 H THR A 193 -12.786 -3.245 -38.994 1.00 0.00 H new ATOM 0 HA THR A 193 -10.227 -2.749 -37.578 1.00 0.00 H new ATOM 0 HB THR A 193 -12.548 -0.861 -37.875 1.00 0.00 H new ATOM 0 HG1 THR A 193 -11.121 0.288 -39.400 1.00 0.00 H new ATOM 0 HG21 THR A 193 -10.913 0.917 -37.224 1.00 0.00 H new ATOM 0 HG22 THR A 193 -11.095 -0.330 -35.967 1.00 0.00 H new ATOM 0 HG23 THR A 193 -9.665 -0.336 -37.026 1.00 0.00 H new ATOM 404 N PHE A 194 -11.356 -2.885 -35.275 1.00 0.00 N ATOM 405 CA PHE A 194 -11.912 -3.287 -33.974 1.00 0.00 C ATOM 406 C PHE A 194 -11.500 -2.314 -32.859 1.00 0.00 C ATOM 407 O PHE A 194 -10.478 -1.634 -32.966 1.00 0.00 O ATOM 408 CB PHE A 194 -11.457 -4.724 -33.632 1.00 0.00 C ATOM 409 CG PHE A 194 -11.307 -5.647 -34.831 1.00 0.00 C ATOM 410 CD1 PHE A 194 -12.436 -6.263 -35.403 1.00 0.00 C ATOM 411 CD2 PHE A 194 -10.046 -5.795 -35.444 1.00 0.00 C ATOM 412 CE1 PHE A 194 -12.305 -7.003 -36.592 1.00 0.00 C ATOM 413 CE2 PHE A 194 -9.917 -6.528 -36.634 1.00 0.00 C ATOM 414 CZ PHE A 194 -11.048 -7.126 -37.210 1.00 0.00 C ATOM 0 H PHE A 194 -10.390 -2.562 -35.215 1.00 0.00 H new ATOM 0 HA PHE A 194 -12.999 -3.260 -34.046 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -10.502 -4.673 -33.109 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -12.176 -5.163 -32.941 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -13.402 -6.168 -34.929 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -9.174 -5.342 -34.995 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -13.171 -7.477 -37.031 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -8.950 -6.631 -37.105 1.00 0.00 H new ATOM 0 HZ PHE A 194 -10.953 -7.682 -38.131 1.00 0.00 H new ATOM 424 N ASN A 195 -12.291 -2.256 -31.783 1.00 0.00 N ATOM 425 CA ASN A 195 -12.082 -1.365 -30.630 1.00 0.00 C ATOM 426 C ASN A 195 -12.363 -2.064 -29.278 1.00 0.00 C ATOM 427 O ASN A 195 -12.641 -1.405 -28.277 1.00 0.00 O ATOM 428 CB ASN A 195 -12.946 -0.100 -30.827 1.00 0.00 C ATOM 429 CG ASN A 195 -12.547 0.719 -32.045 1.00 0.00 C ATOM 430 OD1 ASN A 195 -13.092 0.574 -33.131 1.00 0.00 O ATOM 431 ND2 ASN A 195 -11.593 1.613 -31.905 1.00 0.00 N ATOM 0 H ASN A 195 -13.119 -2.843 -31.684 1.00 0.00 H new ATOM 0 HA ASN A 195 -11.030 -1.082 -30.586 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -13.991 -0.394 -30.922 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -12.870 0.525 -29.937 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -11.308 2.184 -32.701 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -11.138 1.735 -31.001 1.00 0.00 H new ATOM 438 N ASP A 196 -12.301 -3.400 -29.232 1.00 0.00 N ATOM 439 CA ASP A 196 -12.518 -4.230 -28.036 1.00 0.00 C ATOM 440 C ASP A 196 -11.572 -5.448 -28.060 1.00 0.00 C ATOM 441 O ASP A 196 -11.232 -5.925 -29.149 1.00 0.00 O ATOM 442 CB ASP A 196 -13.986 -4.688 -27.980 1.00 0.00 C ATOM 443 CG ASP A 196 -14.950 -3.538 -27.674 1.00 0.00 C ATOM 444 OD1 ASP A 196 -15.059 -3.173 -26.479 1.00 0.00 O ATOM 445 OD2 ASP A 196 -15.593 -3.040 -28.629 1.00 0.00 O ATOM 0 H ASP A 196 -12.090 -3.957 -30.060 1.00 0.00 H new ATOM 0 HA ASP A 196 -12.301 -3.641 -27.145 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -14.258 -5.141 -28.933 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -14.093 -5.460 -27.218 1.00 0.00 H new ATOM 450 N PRO A 197 -11.139 -5.971 -26.893 1.00 0.00 N ATOM 451 CA PRO A 197 -10.168 -7.066 -26.834 1.00 0.00 C ATOM 452 C PRO A 197 -10.692 -8.370 -27.429 1.00 0.00 C ATOM 453 O PRO A 197 -10.031 -9.001 -28.253 1.00 0.00 O ATOM 454 CB PRO A 197 -9.838 -7.258 -25.343 1.00 0.00 C ATOM 455 CG PRO A 197 -10.993 -6.596 -24.592 1.00 0.00 C ATOM 456 CD PRO A 197 -11.501 -5.527 -25.552 1.00 0.00 C ATOM 0 HA PRO A 197 -9.292 -6.810 -27.430 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -9.757 -8.315 -25.090 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.885 -6.795 -25.087 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.774 -7.316 -24.349 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.658 -6.159 -23.651 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -12.580 -5.405 -25.462 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -11.051 -4.559 -25.329 1.00 0.00 H new ATOM 464 N VAL A 198 -11.886 -8.780 -27.001 1.00 0.00 N ATOM 465 CA VAL A 198 -12.517 -10.033 -27.428 1.00 0.00 C ATOM 466 C VAL A 198 -12.951 -9.951 -28.889 1.00 0.00 C ATOM 467 O VAL A 198 -12.746 -10.910 -29.625 1.00 0.00 O ATOM 468 CB VAL A 198 -13.670 -10.398 -26.474 1.00 0.00 C ATOM 469 CG1 VAL A 198 -14.389 -11.688 -26.884 1.00 0.00 C ATOM 470 CG2 VAL A 198 -13.117 -10.597 -25.052 1.00 0.00 C ATOM 0 H VAL A 198 -12.451 -8.246 -26.340 1.00 0.00 H new ATOM 0 HA VAL A 198 -11.790 -10.843 -27.372 1.00 0.00 H new ATOM 0 HB VAL A 198 -14.385 -9.576 -26.516 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -15.192 -11.897 -26.177 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -14.807 -11.570 -27.884 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -13.680 -12.516 -26.883 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -13.933 -10.855 -24.377 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -12.382 -11.402 -25.057 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -12.644 -9.675 -24.713 1.00 0.00 H new ATOM 480 N MET A 199 -13.478 -8.810 -29.350 1.00 0.00 N ATOM 481 CA MET A 199 -13.865 -8.630 -30.758 1.00 0.00 C ATOM 482 C MET A 199 -12.653 -8.762 -31.695 1.00 0.00 C ATOM 483 O MET A 199 -12.731 -9.459 -32.709 1.00 0.00 O ATOM 484 CB MET A 199 -14.572 -7.279 -30.935 1.00 0.00 C ATOM 485 CG MET A 199 -15.302 -7.199 -32.281 1.00 0.00 C ATOM 486 SD MET A 199 -16.496 -5.838 -32.431 1.00 0.00 S ATOM 487 CE MET A 199 -15.400 -4.400 -32.305 1.00 0.00 C ATOM 0 H MET A 199 -13.648 -7.992 -28.765 1.00 0.00 H new ATOM 0 HA MET A 199 -14.562 -9.422 -31.032 1.00 0.00 H new ATOM 0 HB2 MET A 199 -15.285 -7.131 -30.124 1.00 0.00 H new ATOM 0 HB3 MET A 199 -13.841 -6.473 -30.868 1.00 0.00 H new ATOM 0 HG2 MET A 199 -14.560 -7.100 -33.074 1.00 0.00 H new ATOM 0 HG3 MET A 199 -15.825 -8.140 -32.450 1.00 0.00 H new ATOM 0 HE1 MET A 199 -15.891 -3.529 -32.739 1.00 0.00 H new ATOM 0 HE2 MET A 199 -15.175 -4.205 -31.256 1.00 0.00 H new ATOM 0 HE3 MET A 199 -14.474 -4.600 -32.844 1.00 0.00 H new ATOM 497 N ALA A 200 -11.519 -8.152 -31.327 1.00 0.00 N ATOM 498 CA ALA A 200 -10.265 -8.273 -32.070 1.00 0.00 C ATOM 499 C ALA A 200 -9.784 -9.733 -32.107 1.00 0.00 C ATOM 500 O ALA A 200 -9.561 -10.296 -33.180 1.00 0.00 O ATOM 501 CB ALA A 200 -9.204 -7.388 -31.401 1.00 0.00 C ATOM 0 H ALA A 200 -11.449 -7.558 -30.501 1.00 0.00 H new ATOM 0 HA ALA A 200 -10.429 -7.949 -33.098 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -8.264 -7.471 -31.947 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -9.538 -6.351 -31.409 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -9.055 -7.714 -30.371 1.00 0.00 H new ATOM 507 N GLN A 201 -9.646 -10.357 -30.931 1.00 0.00 N ATOM 508 CA GLN A 201 -9.168 -11.735 -30.805 1.00 0.00 C ATOM 509 C GLN A 201 -10.054 -12.751 -31.545 1.00 0.00 C ATOM 510 O GLN A 201 -9.529 -13.632 -32.227 1.00 0.00 O ATOM 511 CB GLN A 201 -9.035 -12.110 -29.320 1.00 0.00 C ATOM 512 CG GLN A 201 -7.835 -11.415 -28.658 1.00 0.00 C ATOM 513 CD GLN A 201 -7.803 -11.641 -27.147 1.00 0.00 C ATOM 514 OE1 GLN A 201 -7.748 -12.761 -26.653 1.00 0.00 O ATOM 515 NE2 GLN A 201 -7.835 -10.593 -26.351 1.00 0.00 N ATOM 0 H GLN A 201 -9.864 -9.916 -30.037 1.00 0.00 H new ATOM 0 HA GLN A 201 -8.189 -11.779 -31.283 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -9.949 -11.836 -28.793 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -8.925 -13.190 -29.227 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -6.911 -11.788 -29.100 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -7.877 -10.345 -28.864 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -7.881 -9.654 -26.746 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -7.814 -10.720 -25.339 1.00 0.00 H new ATOM 524 N GLN A 202 -11.384 -12.620 -31.449 1.00 0.00 N ATOM 525 CA GLN A 202 -12.346 -13.498 -32.125 1.00 0.00 C ATOM 526 C GLN A 202 -12.241 -13.400 -33.651 1.00 0.00 C ATOM 527 O GLN A 202 -12.357 -14.424 -34.327 1.00 0.00 O ATOM 528 CB GLN A 202 -13.782 -13.178 -31.671 1.00 0.00 C ATOM 529 CG GLN A 202 -14.107 -13.706 -30.263 1.00 0.00 C ATOM 530 CD GLN A 202 -14.273 -15.225 -30.228 1.00 0.00 C ATOM 531 OE1 GLN A 202 -13.339 -15.979 -29.989 1.00 0.00 O ATOM 532 NE2 GLN A 202 -15.463 -15.738 -30.466 1.00 0.00 N ATOM 0 H GLN A 202 -11.827 -11.890 -30.891 1.00 0.00 H new ATOM 0 HA GLN A 202 -12.101 -14.522 -31.843 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -13.929 -12.098 -31.689 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -14.485 -13.608 -32.384 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -13.311 -13.415 -29.577 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -15.023 -13.236 -29.905 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -16.252 -15.124 -30.667 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -15.595 -16.749 -30.449 1.00 0.00 H new ATOM 541 N HIS A 203 -11.984 -12.207 -34.206 1.00 0.00 N ATOM 542 CA HIS A 203 -11.811 -12.046 -35.653 1.00 0.00 C ATOM 543 C HIS A 203 -10.630 -12.892 -36.155 1.00 0.00 C ATOM 544 O HIS A 203 -10.805 -13.728 -37.040 1.00 0.00 O ATOM 545 CB HIS A 203 -11.630 -10.565 -36.031 1.00 0.00 C ATOM 546 CG HIS A 203 -11.518 -10.375 -37.527 1.00 0.00 C ATOM 547 ND1 HIS A 203 -12.565 -10.198 -38.407 1.00 0.00 N ATOM 548 CD2 HIS A 203 -10.372 -10.456 -38.280 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.065 -10.204 -39.657 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.734 -10.383 -39.630 1.00 0.00 N ATOM 0 H HIS A 203 -11.892 -11.342 -33.674 1.00 0.00 H new ATOM 0 HA HIS A 203 -12.717 -12.402 -36.142 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -12.475 -9.988 -35.654 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -10.735 -10.173 -35.547 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.547 -10.083 -38.155 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -9.367 -10.558 -37.897 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -12.652 -10.082 -40.555 1.00 0.00 H new ATOM 558 N TYR A 204 -9.444 -12.717 -35.562 1.00 0.00 N ATOM 559 CA TYR A 204 -8.205 -13.413 -35.942 1.00 0.00 C ATOM 560 C TYR A 204 -8.224 -14.957 -35.856 1.00 0.00 C ATOM 561 O TYR A 204 -7.290 -15.598 -36.346 1.00 0.00 O ATOM 562 CB TYR A 204 -7.036 -12.832 -35.127 1.00 0.00 C ATOM 563 CG TYR A 204 -6.839 -11.325 -35.244 1.00 0.00 C ATOM 564 CD1 TYR A 204 -6.864 -10.700 -36.508 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.618 -10.546 -34.089 1.00 0.00 C ATOM 566 CE1 TYR A 204 -6.693 -9.308 -36.618 1.00 0.00 C ATOM 567 CE2 TYR A 204 -6.435 -9.153 -34.196 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.469 -8.529 -35.462 1.00 0.00 C ATOM 569 OH TYR A 204 -6.261 -7.187 -35.554 1.00 0.00 O ATOM 0 H TYR A 204 -9.314 -12.071 -34.784 1.00 0.00 H new ATOM 0 HA TYR A 204 -8.085 -13.226 -37.009 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -7.189 -13.080 -34.077 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -6.116 -13.326 -35.440 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.015 -11.294 -37.397 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -6.589 -11.019 -33.119 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.733 -8.835 -37.588 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -6.268 -8.561 -33.308 1.00 0.00 H new ATOM 0 HH TYR A 204 -6.043 -6.953 -36.480 1.00 0.00 H new ATOM 579 N VAL A 205 -9.263 -15.570 -35.271 1.00 0.00 N ATOM 580 CA VAL A 205 -9.412 -17.039 -35.141 1.00 0.00 C ATOM 581 C VAL A 205 -10.740 -17.578 -35.700 1.00 0.00 C ATOM 582 O VAL A 205 -10.990 -18.783 -35.635 1.00 0.00 O ATOM 583 CB VAL A 205 -9.196 -17.514 -33.685 1.00 0.00 C ATOM 584 CG1 VAL A 205 -7.841 -17.055 -33.128 1.00 0.00 C ATOM 585 CG2 VAL A 205 -10.306 -17.056 -32.731 1.00 0.00 C ATOM 0 H VAL A 205 -10.043 -15.054 -34.864 1.00 0.00 H new ATOM 0 HA VAL A 205 -8.622 -17.462 -35.762 1.00 0.00 H new ATOM 0 HB VAL A 205 -9.219 -18.602 -33.737 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.730 -17.410 -32.103 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -7.038 -17.463 -33.742 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.792 -15.966 -33.142 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -10.096 -17.422 -31.726 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -10.349 -15.967 -32.719 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -11.263 -17.454 -33.069 1.00 0.00 H new ATOM 595 N GLY A 206 -11.596 -16.716 -36.259 1.00 0.00 N ATOM 596 CA GLY A 206 -12.894 -17.103 -36.820 1.00 0.00 C ATOM 597 C GLY A 206 -12.803 -17.597 -38.267 1.00 0.00 C ATOM 598 O GLY A 206 -11.950 -17.154 -39.040 1.00 0.00 O ATOM 0 H GLY A 206 -11.404 -15.717 -36.335 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -13.330 -17.888 -36.202 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -13.571 -16.249 -36.776 1.00 0.00 H new ATOM 602 N LYS A 207 -13.706 -18.506 -38.660 1.00 0.00 N ATOM 603 CA LYS A 207 -13.768 -19.089 -40.017 1.00 0.00 C ATOM 604 C LYS A 207 -13.834 -18.027 -41.124 1.00 0.00 C ATOM 605 O LYS A 207 -13.192 -18.187 -42.162 1.00 0.00 O ATOM 606 CB LYS A 207 -14.945 -20.081 -40.073 1.00 0.00 C ATOM 607 CG LYS A 207 -15.013 -20.866 -41.394 1.00 0.00 C ATOM 608 CD LYS A 207 -16.084 -21.965 -41.309 1.00 0.00 C ATOM 609 CE LYS A 207 -16.206 -22.760 -42.614 1.00 0.00 C ATOM 610 NZ LYS A 207 -16.815 -21.952 -43.694 1.00 0.00 N ATOM 0 H LYS A 207 -14.428 -18.866 -38.037 1.00 0.00 H new ATOM 0 HA LYS A 207 -12.839 -19.625 -40.212 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -14.859 -20.784 -39.244 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.878 -19.536 -39.933 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -15.243 -20.188 -42.216 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.042 -21.311 -41.610 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.840 -22.645 -40.493 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -17.047 -21.513 -41.070 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -15.219 -23.100 -42.927 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -16.810 -23.651 -42.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -16.928 -22.539 -44.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -17.746 -21.606 -43.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.200 -21.142 -43.911 1.00 0.00 H new ATOM 624 N LYS A 208 -14.554 -16.922 -40.886 1.00 0.00 N ATOM 625 CA LYS A 208 -14.673 -15.783 -41.816 1.00 0.00 C ATOM 626 C LYS A 208 -13.305 -15.191 -42.172 1.00 0.00 C ATOM 627 O LYS A 208 -13.027 -14.996 -43.352 1.00 0.00 O ATOM 628 CB LYS A 208 -15.646 -14.744 -41.222 1.00 0.00 C ATOM 629 CG LYS A 208 -16.089 -13.647 -42.209 1.00 0.00 C ATOM 630 CD LYS A 208 -15.164 -12.416 -42.251 1.00 0.00 C ATOM 631 CE LYS A 208 -15.637 -11.381 -43.280 1.00 0.00 C ATOM 632 NZ LYS A 208 -16.933 -10.774 -42.903 1.00 0.00 N ATOM 0 H LYS A 208 -15.083 -16.789 -40.024 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.087 -16.131 -42.762 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -16.531 -15.263 -40.854 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -15.172 -14.271 -40.362 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -16.147 -14.077 -43.209 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -17.095 -13.321 -41.944 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -15.127 -11.956 -41.264 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -14.149 -12.732 -42.494 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -14.885 -10.598 -43.378 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.730 -11.857 -44.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -17.149 -9.988 -43.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.684 -11.491 -42.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -16.878 -10.415 -41.928 1.00 0.00 H new ATOM 646 N HIS A 209 -12.436 -14.961 -41.181 1.00 0.00 N ATOM 647 CA HIS A 209 -11.067 -14.458 -41.388 1.00 0.00 C ATOM 648 C HIS A 209 -10.236 -15.435 -42.221 1.00 0.00 C ATOM 649 O HIS A 209 -9.597 -15.028 -43.189 1.00 0.00 O ATOM 650 CB HIS A 209 -10.409 -14.188 -40.027 1.00 0.00 C ATOM 651 CG HIS A 209 -8.930 -13.860 -40.070 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.369 -12.612 -40.365 1.00 0.00 N ATOM 653 CD2 HIS A 209 -7.919 -14.735 -39.784 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.040 -12.769 -40.264 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.740 -14.034 -39.915 1.00 0.00 N ATOM 0 H HIS A 209 -12.664 -15.120 -40.199 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.116 -13.524 -41.948 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -10.933 -13.361 -39.548 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.551 -15.064 -39.395 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -8.024 -15.774 -39.509 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.313 -11.990 -40.438 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.802 -14.409 -39.772 1.00 0.00 H new ATOM 663 N ARG A 210 -10.283 -16.740 -41.903 1.00 0.00 N ATOM 664 CA ARG A 210 -9.559 -17.774 -42.668 1.00 0.00 C ATOM 665 C ARG A 210 -9.994 -17.784 -44.141 1.00 0.00 C ATOM 666 O ARG A 210 -9.140 -17.729 -45.025 1.00 0.00 O ATOM 667 CB ARG A 210 -9.712 -19.169 -42.026 1.00 0.00 C ATOM 668 CG ARG A 210 -8.810 -19.409 -40.800 1.00 0.00 C ATOM 669 CD ARG A 210 -9.297 -18.727 -39.514 1.00 0.00 C ATOM 670 NE ARG A 210 -8.387 -18.978 -38.380 1.00 0.00 N ATOM 671 CZ ARG A 210 -8.412 -20.016 -37.559 1.00 0.00 C ATOM 672 NH1 ARG A 210 -9.270 -20.996 -37.674 1.00 0.00 N ATOM 673 NH2 ARG A 210 -7.545 -20.098 -36.586 1.00 0.00 N ATOM 0 H ARG A 210 -10.818 -17.107 -41.116 1.00 0.00 H new ATOM 0 HA ARG A 210 -8.500 -17.519 -42.638 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -10.752 -19.307 -41.729 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -9.492 -19.927 -42.777 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -8.736 -20.482 -40.623 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -7.805 -19.053 -41.028 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -9.381 -17.653 -39.682 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -10.295 -19.089 -39.266 1.00 0.00 H new ATOM 0 HE ARG A 210 -7.664 -18.279 -38.211 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -9.962 -20.983 -38.423 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -9.247 -21.774 -37.015 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -6.850 -19.363 -36.459 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -7.563 -20.897 -35.953 1.00 0.00 H new ATOM 687 N LYS A 211 -11.308 -17.807 -44.406 1.00 0.00 N ATOM 688 CA LYS A 211 -11.884 -17.788 -45.766 1.00 0.00 C ATOM 689 C LYS A 211 -11.599 -16.487 -46.525 1.00 0.00 C ATOM 690 O LYS A 211 -11.243 -16.533 -47.702 1.00 0.00 O ATOM 691 CB LYS A 211 -13.400 -18.051 -45.697 1.00 0.00 C ATOM 692 CG LYS A 211 -13.776 -19.490 -45.299 1.00 0.00 C ATOM 693 CD LYS A 211 -13.375 -20.528 -46.360 1.00 0.00 C ATOM 694 CE LYS A 211 -13.902 -21.913 -45.978 1.00 0.00 C ATOM 695 NZ LYS A 211 -13.525 -22.923 -46.989 1.00 0.00 N ATOM 0 H LYS A 211 -12.015 -17.840 -43.672 1.00 0.00 H new ATOM 0 HA LYS A 211 -11.395 -18.584 -46.329 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -13.844 -17.360 -44.980 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -13.840 -17.829 -46.669 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -13.293 -19.738 -44.354 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -14.852 -19.546 -45.131 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -13.773 -20.236 -47.332 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -12.290 -20.559 -46.456 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -13.504 -22.201 -45.005 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -14.987 -21.879 -45.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -13.895 -23.853 -46.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -13.926 -22.658 -47.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -12.489 -22.970 -47.063 1.00 0.00 H new ATOM 709 N GLN A 212 -11.729 -15.328 -45.879 1.00 0.00 N ATOM 710 CA GLN A 212 -11.453 -14.030 -46.506 1.00 0.00 C ATOM 711 C GLN A 212 -9.959 -13.871 -46.824 1.00 0.00 C ATOM 712 O GLN A 212 -9.618 -13.398 -47.908 1.00 0.00 O ATOM 713 CB GLN A 212 -11.986 -12.905 -45.601 1.00 0.00 C ATOM 714 CG GLN A 212 -11.800 -11.476 -46.143 1.00 0.00 C ATOM 715 CD GLN A 212 -12.676 -11.108 -47.344 1.00 0.00 C ATOM 716 OE1 GLN A 212 -13.228 -11.936 -48.057 1.00 0.00 O ATOM 717 NE2 GLN A 212 -12.857 -9.830 -47.607 1.00 0.00 N ATOM 0 H GLN A 212 -12.028 -15.260 -44.906 1.00 0.00 H new ATOM 0 HA GLN A 212 -11.972 -13.971 -47.463 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -13.049 -13.074 -45.428 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -11.490 -12.975 -44.633 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -12.004 -10.771 -45.337 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -10.755 -11.346 -46.424 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -12.408 -9.121 -47.027 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -13.447 -9.549 -48.390 1.00 0.00 H new ATOM 726 N GLU A 213 -9.061 -14.313 -45.937 1.00 0.00 N ATOM 727 CA GLU A 213 -7.616 -14.285 -46.179 1.00 0.00 C ATOM 728 C GLU A 213 -7.261 -15.129 -47.411 1.00 0.00 C ATOM 729 O GLU A 213 -6.533 -14.648 -48.282 1.00 0.00 O ATOM 730 CB GLU A 213 -6.861 -14.747 -44.919 1.00 0.00 C ATOM 731 CG GLU A 213 -5.333 -14.591 -45.007 1.00 0.00 C ATOM 732 CD GLU A 213 -4.617 -15.658 -45.853 1.00 0.00 C ATOM 733 OE1 GLU A 213 -4.986 -16.853 -45.754 1.00 0.00 O ATOM 734 OE2 GLU A 213 -3.671 -15.282 -46.584 1.00 0.00 O ATOM 0 H GLU A 213 -9.317 -14.701 -45.029 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.305 -13.262 -46.392 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -7.224 -14.179 -44.063 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -7.098 -15.794 -44.731 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -5.107 -13.609 -45.421 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -4.922 -14.614 -43.998 1.00 0.00 H new ATOM 741 N THR A 214 -7.796 -16.353 -47.535 1.00 0.00 N ATOM 742 CA THR A 214 -7.555 -17.186 -48.726 1.00 0.00 C ATOM 743 C THR A 214 -8.166 -16.567 -49.986 1.00 0.00 C ATOM 744 O THR A 214 -7.544 -16.647 -51.046 1.00 0.00 O ATOM 745 CB THR A 214 -8.016 -18.646 -48.562 1.00 0.00 C ATOM 746 OG1 THR A 214 -9.345 -18.761 -48.100 1.00 0.00 O ATOM 747 CG2 THR A 214 -7.132 -19.392 -47.562 1.00 0.00 C ATOM 0 H THR A 214 -8.394 -16.787 -46.832 1.00 0.00 H new ATOM 0 HA THR A 214 -6.471 -17.213 -48.842 1.00 0.00 H new ATOM 0 HB THR A 214 -7.943 -19.078 -49.560 1.00 0.00 H new ATOM 0 HG1 THR A 214 -9.765 -17.876 -48.088 1.00 0.00 H new ATOM 0 HG21 THR A 214 -7.480 -20.420 -47.465 1.00 0.00 H new ATOM 0 HG22 THR A 214 -6.101 -19.389 -47.915 1.00 0.00 H new ATOM 0 HG23 THR A 214 -7.184 -18.899 -46.591 1.00 0.00 H new ATOM 755 N LYS A 215 -9.329 -15.896 -49.895 1.00 0.00 N ATOM 756 CA LYS A 215 -9.953 -15.190 -51.031 1.00 0.00 C ATOM 757 C LYS A 215 -9.031 -14.070 -51.523 1.00 0.00 C ATOM 758 O LYS A 215 -8.703 -14.028 -52.707 1.00 0.00 O ATOM 759 CB LYS A 215 -11.353 -14.678 -50.623 1.00 0.00 C ATOM 760 CG LYS A 215 -12.314 -14.355 -51.783 1.00 0.00 C ATOM 761 CD LYS A 215 -11.923 -13.148 -52.648 1.00 0.00 C ATOM 762 CE LYS A 215 -13.063 -12.782 -53.603 1.00 0.00 C ATOM 763 NZ LYS A 215 -12.677 -11.664 -54.490 1.00 0.00 N ATOM 0 H LYS A 215 -9.864 -15.828 -49.030 1.00 0.00 H new ATOM 0 HA LYS A 215 -10.092 -15.875 -51.867 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -11.822 -15.428 -49.986 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -11.228 -13.779 -50.019 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -12.388 -15.232 -52.426 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -13.307 -14.178 -51.370 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -11.688 -12.296 -52.010 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -11.023 -13.378 -53.218 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -13.331 -13.651 -54.204 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -13.948 -12.506 -53.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -13.468 -11.437 -55.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -12.444 -10.829 -53.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -11.847 -11.938 -55.053 1.00 0.00 H new ATOM 777 N LEU A 216 -8.564 -13.196 -50.627 1.00 0.00 N ATOM 778 CA LEU A 216 -7.638 -12.107 -50.966 1.00 0.00 C ATOM 779 C LEU A 216 -6.303 -12.636 -51.514 1.00 0.00 C ATOM 780 O LEU A 216 -5.807 -12.102 -52.506 1.00 0.00 O ATOM 781 CB LEU A 216 -7.430 -11.178 -49.750 1.00 0.00 C ATOM 782 CG LEU A 216 -8.355 -9.944 -49.687 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.070 -8.952 -50.819 1.00 0.00 C ATOM 784 CD2 LEU A 216 -9.843 -10.298 -49.719 1.00 0.00 C ATOM 0 H LEU A 216 -8.818 -13.223 -49.640 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.089 -11.521 -51.767 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.571 -11.762 -48.841 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -6.396 -10.835 -49.751 1.00 0.00 H new ATOM 0 HG LEU A 216 -8.130 -9.483 -48.725 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -8.744 -8.100 -50.734 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -7.039 -8.607 -50.749 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.224 -9.443 -51.780 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -10.435 -9.384 -49.672 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -10.071 -10.831 -50.642 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -10.085 -10.932 -48.866 1.00 0.00 H new ATOM 796 N LYS A 217 -5.737 -13.699 -50.924 1.00 0.00 N ATOM 797 CA LYS A 217 -4.494 -14.333 -51.402 1.00 0.00 C ATOM 798 C LYS A 217 -4.651 -14.864 -52.833 1.00 0.00 C ATOM 799 O LYS A 217 -3.808 -14.586 -53.687 1.00 0.00 O ATOM 800 CB LYS A 217 -4.072 -15.430 -50.410 1.00 0.00 C ATOM 801 CG LYS A 217 -2.677 -15.992 -50.720 1.00 0.00 C ATOM 802 CD LYS A 217 -2.259 -17.022 -49.659 1.00 0.00 C ATOM 803 CE LYS A 217 -0.865 -17.601 -49.933 1.00 0.00 C ATOM 804 NZ LYS A 217 0.197 -16.587 -49.758 1.00 0.00 N ATOM 0 H LYS A 217 -6.129 -14.148 -50.096 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.700 -13.588 -51.445 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -4.081 -15.025 -49.398 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -4.801 -16.240 -50.436 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.678 -16.457 -51.706 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -1.951 -15.180 -50.752 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -2.269 -16.553 -48.675 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -2.988 -17.832 -49.633 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.681 -18.439 -49.261 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -0.828 -17.994 -50.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 1.128 -17.037 -49.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 0.086 -15.841 -50.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 0.125 -16.170 -48.808 1.00 0.00 H new ATOM 818 N LEU A 218 -5.753 -15.572 -53.108 1.00 0.00 N ATOM 819 CA LEU A 218 -6.108 -16.087 -54.436 1.00 0.00 C ATOM 820 C LEU A 218 -6.273 -14.924 -55.426 1.00 0.00 C ATOM 821 O LEU A 218 -5.649 -14.928 -56.484 1.00 0.00 O ATOM 822 CB LEU A 218 -7.378 -16.954 -54.295 1.00 0.00 C ATOM 823 CG LEU A 218 -7.814 -17.756 -55.539 1.00 0.00 C ATOM 824 CD1 LEU A 218 -8.855 -18.795 -55.114 1.00 0.00 C ATOM 825 CD2 LEU A 218 -8.456 -16.912 -56.645 1.00 0.00 C ATOM 0 H LEU A 218 -6.441 -15.809 -52.393 1.00 0.00 H new ATOM 0 HA LEU A 218 -5.316 -16.716 -54.841 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -7.221 -17.656 -53.476 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -8.203 -16.304 -54.004 1.00 0.00 H new ATOM 0 HG LEU A 218 -6.902 -18.194 -55.944 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -9.172 -19.369 -55.984 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -8.418 -19.467 -54.375 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -9.717 -18.289 -54.679 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -8.732 -17.556 -57.480 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -9.348 -16.420 -56.256 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -7.746 -16.159 -56.986 1.00 0.00 H new ATOM 837 N MET A 219 -7.064 -13.907 -55.071 1.00 0.00 N ATOM 838 CA MET A 219 -7.294 -12.716 -55.896 1.00 0.00 C ATOM 839 C MET A 219 -5.981 -11.995 -56.254 1.00 0.00 C ATOM 840 O MET A 219 -5.784 -11.604 -57.405 1.00 0.00 O ATOM 841 CB MET A 219 -8.271 -11.784 -55.157 1.00 0.00 C ATOM 842 CG MET A 219 -8.768 -10.615 -56.014 1.00 0.00 C ATOM 843 SD MET A 219 -9.793 -11.100 -57.431 1.00 0.00 S ATOM 844 CE MET A 219 -10.178 -9.458 -58.096 1.00 0.00 C ATOM 0 H MET A 219 -7.572 -13.888 -54.187 1.00 0.00 H new ATOM 0 HA MET A 219 -7.733 -13.023 -56.845 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.128 -12.365 -54.817 1.00 0.00 H new ATOM 0 HB3 MET A 219 -7.781 -11.389 -54.267 1.00 0.00 H new ATOM 0 HG2 MET A 219 -9.342 -9.937 -55.382 1.00 0.00 H new ATOM 0 HG3 MET A 219 -7.906 -10.057 -56.380 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.807 -9.562 -58.980 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.706 -8.874 -57.342 1.00 0.00 H new ATOM 0 HE3 MET A 219 -9.253 -8.949 -58.367 1.00 0.00 H new ATOM 854 N ALA A 220 -5.064 -11.847 -55.291 1.00 0.00 N ATOM 855 CA ALA A 220 -3.764 -11.209 -55.494 1.00 0.00 C ATOM 856 C ALA A 220 -2.860 -11.994 -56.467 1.00 0.00 C ATOM 857 O ALA A 220 -2.348 -11.411 -57.427 1.00 0.00 O ATOM 858 CB ALA A 220 -3.093 -11.019 -54.127 1.00 0.00 C ATOM 0 H ALA A 220 -5.209 -12.173 -54.335 1.00 0.00 H new ATOM 0 HA ALA A 220 -3.922 -10.239 -55.965 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -2.121 -10.544 -54.262 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -3.721 -10.389 -53.498 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -2.959 -11.990 -53.649 1.00 0.00 H new ATOM 864 N ARG A 221 -2.670 -13.309 -56.256 1.00 0.00 N ATOM 865 CA ARG A 221 -1.824 -14.148 -57.135 1.00 0.00 C ATOM 866 C ARG A 221 -2.431 -14.376 -58.526 1.00 0.00 C ATOM 867 O ARG A 221 -1.697 -14.413 -59.513 1.00 0.00 O ATOM 868 CB ARG A 221 -1.397 -15.448 -56.418 1.00 0.00 C ATOM 869 CG ARG A 221 -2.499 -16.480 -56.122 1.00 0.00 C ATOM 870 CD ARG A 221 -2.718 -17.497 -57.253 1.00 0.00 C ATOM 871 NE ARG A 221 -3.848 -18.401 -56.963 1.00 0.00 N ATOM 872 CZ ARG A 221 -3.813 -19.501 -56.227 1.00 0.00 C ATOM 873 NH1 ARG A 221 -2.737 -19.910 -55.607 1.00 0.00 N ATOM 874 NH2 ARG A 221 -4.884 -20.235 -56.094 1.00 0.00 N ATOM 0 H ARG A 221 -3.092 -13.819 -55.480 1.00 0.00 H new ATOM 0 HA ARG A 221 -0.911 -13.588 -57.335 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -0.633 -15.934 -57.025 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -0.927 -15.175 -55.473 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -2.245 -17.017 -55.208 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -3.435 -15.954 -55.933 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -2.906 -16.968 -58.187 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -1.810 -18.083 -57.396 1.00 0.00 H new ATOM 0 HE ARG A 221 -4.749 -18.153 -57.372 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -1.872 -19.374 -55.678 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -2.762 -20.765 -55.052 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -5.750 -19.962 -56.558 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -4.855 -21.082 -55.526 1.00 0.00 H new ATOM 888 N TYR A 222 -3.758 -14.493 -58.622 1.00 0.00 N ATOM 889 CA TYR A 222 -4.482 -14.677 -59.889 1.00 0.00 C ATOM 890 C TYR A 222 -4.592 -13.373 -60.707 1.00 0.00 C ATOM 891 O TYR A 222 -4.728 -13.412 -61.931 1.00 0.00 O ATOM 892 CB TYR A 222 -5.871 -15.259 -59.583 1.00 0.00 C ATOM 893 CG TYR A 222 -6.649 -15.719 -60.801 1.00 0.00 C ATOM 894 CD1 TYR A 222 -6.267 -16.900 -61.469 1.00 0.00 C ATOM 895 CD2 TYR A 222 -7.755 -14.977 -61.262 1.00 0.00 C ATOM 896 CE1 TYR A 222 -6.985 -17.335 -62.600 1.00 0.00 C ATOM 897 CE2 TYR A 222 -8.476 -15.410 -62.392 1.00 0.00 C ATOM 898 CZ TYR A 222 -8.091 -16.591 -63.066 1.00 0.00 C ATOM 899 OH TYR A 222 -8.779 -17.019 -64.161 1.00 0.00 O ATOM 0 H TYR A 222 -4.373 -14.462 -57.809 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.916 -15.370 -60.511 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.754 -16.103 -58.903 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.458 -14.506 -59.058 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -5.423 -17.472 -61.113 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -8.050 -14.074 -60.748 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -6.689 -18.239 -63.112 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -9.323 -14.839 -62.743 1.00 0.00 H new ATOM 0 HH TYR A 222 -9.512 -16.397 -64.351 1.00 0.00 H new ATOM 909 N GLY A 223 -4.501 -12.211 -60.047 1.00 0.00 N ATOM 910 CA GLY A 223 -4.574 -10.873 -60.651 1.00 0.00 C ATOM 911 C GLY A 223 -3.357 -10.445 -61.488 1.00 0.00 C ATOM 912 O GLY A 223 -3.348 -9.328 -62.014 1.00 0.00 O ATOM 0 H GLY A 223 -4.369 -12.175 -59.036 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -5.460 -10.830 -61.285 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -4.717 -10.143 -59.854 1.00 0.00 H new ATOM 916 N ARG A 224 -2.332 -11.302 -61.625 1.00 0.00 N ATOM 917 CA ARG A 224 -1.115 -11.058 -62.425 1.00 0.00 C ATOM 918 C ARG A 224 -1.462 -10.768 -63.898 1.00 0.00 C ATOM 919 O ARG A 224 -2.411 -11.336 -64.443 1.00 0.00 O ATOM 920 CB ARG A 224 -0.191 -12.288 -62.282 1.00 0.00 C ATOM 921 CG ARG A 224 1.247 -12.101 -62.803 1.00 0.00 C ATOM 922 CD ARG A 224 2.098 -11.124 -61.974 1.00 0.00 C ATOM 923 NE ARG A 224 2.350 -11.622 -60.607 1.00 0.00 N ATOM 924 CZ ARG A 224 3.306 -12.459 -60.233 1.00 0.00 C ATOM 925 NH1 ARG A 224 4.180 -12.960 -61.068 1.00 0.00 N ATOM 926 NH2 ARG A 224 3.410 -12.821 -58.984 1.00 0.00 N ATOM 0 H ARG A 224 -2.325 -12.214 -61.168 1.00 0.00 H new ATOM 0 HA ARG A 224 -0.598 -10.172 -62.056 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -0.144 -12.565 -61.229 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -0.645 -13.125 -62.812 1.00 0.00 H new ATOM 0 HG2 ARG A 224 1.743 -13.071 -62.822 1.00 0.00 H new ATOM 0 HG3 ARG A 224 1.205 -11.745 -63.832 1.00 0.00 H new ATOM 0 HD2 ARG A 224 3.050 -10.956 -62.478 1.00 0.00 H new ATOM 0 HD3 ARG A 224 1.592 -10.160 -61.920 1.00 0.00 H new ATOM 0 HE ARG A 224 1.723 -11.287 -59.875 1.00 0.00 H new ATOM 0 HH11 ARG A 224 4.143 -12.709 -62.056 1.00 0.00 H new ATOM 0 HH12 ARG A 224 4.898 -13.601 -60.731 1.00 0.00 H new ATOM 0 HH21 ARG A 224 2.754 -12.459 -58.292 1.00 0.00 H new ATOM 0 HH22 ARG A 224 4.147 -13.466 -58.700 1.00 0.00 H new ATOM 940 N LEU A 225 -0.685 -9.896 -64.551 1.00 0.00 N ATOM 941 CA LEU A 225 -0.885 -9.490 -65.956 1.00 0.00 C ATOM 942 C LEU A 225 -0.791 -10.645 -66.979 1.00 0.00 C ATOM 943 O LEU A 225 -1.365 -10.548 -68.066 1.00 0.00 O ATOM 944 CB LEU A 225 0.119 -8.376 -66.318 1.00 0.00 C ATOM 945 CG LEU A 225 0.005 -7.078 -65.492 1.00 0.00 C ATOM 946 CD1 LEU A 225 1.073 -6.085 -65.952 1.00 0.00 C ATOM 947 CD2 LEU A 225 -1.362 -6.405 -65.631 1.00 0.00 C ATOM 0 H LEU A 225 0.117 -9.442 -64.114 1.00 0.00 H new ATOM 0 HA LEU A 225 -1.910 -9.127 -66.023 1.00 0.00 H new ATOM 0 HB2 LEU A 225 1.128 -8.771 -66.203 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -0.007 -8.127 -67.372 1.00 0.00 H new ATOM 0 HG LEU A 225 0.142 -7.357 -64.447 1.00 0.00 H new ATOM 0 HD11 LEU A 225 0.993 -5.168 -65.368 1.00 0.00 H new ATOM 0 HD12 LEU A 225 2.061 -6.521 -65.808 1.00 0.00 H new ATOM 0 HD13 LEU A 225 0.927 -5.857 -67.008 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -1.384 -5.497 -65.028 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -1.538 -6.151 -66.676 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -2.140 -7.087 -65.288 1.00 0.00 H new ATOM 959 N ALA A 226 -0.092 -11.732 -66.637 1.00 0.00 N ATOM 960 CA ALA A 226 0.083 -12.934 -67.458 1.00 0.00 C ATOM 961 C ALA A 226 0.321 -14.183 -66.581 1.00 0.00 C ATOM 962 O ALA A 226 0.653 -14.071 -65.398 1.00 0.00 O ATOM 963 CB ALA A 226 1.262 -12.700 -68.416 1.00 0.00 C ATOM 0 H ALA A 226 0.389 -11.801 -65.740 1.00 0.00 H new ATOM 0 HA ALA A 226 -0.826 -13.119 -68.030 1.00 0.00 H new ATOM 0 HB1 ALA A 226 1.408 -13.584 -69.036 1.00 0.00 H new ATOM 0 HB2 ALA A 226 1.048 -11.842 -69.053 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.167 -12.508 -67.839 1.00 0.00 H new ATOM 969 N ASP A 227 0.169 -15.377 -67.163 1.00 0.00 N ATOM 970 CA ASP A 227 0.363 -16.668 -66.482 1.00 0.00 C ATOM 971 C ASP A 227 0.843 -17.754 -67.459 1.00 0.00 C ATOM 972 O ASP A 227 1.744 -18.542 -67.140 1.00 0.00 O ATOM 973 CB ASP A 227 -0.954 -17.089 -65.807 1.00 0.00 C ATOM 974 CG ASP A 227 -0.799 -18.387 -65.005 1.00 0.00 C ATOM 975 OD1 ASP A 227 -0.226 -18.325 -63.891 1.00 0.00 O ATOM 976 OD2 ASP A 227 -1.252 -19.445 -65.507 1.00 0.00 O ATOM 0 H ASP A 227 -0.098 -15.479 -68.142 1.00 0.00 H new ATOM 0 HA ASP A 227 1.139 -16.550 -65.725 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.293 -16.292 -65.145 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -1.724 -17.222 -66.567 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -9.112 -10.749 -40.859 1.00 0.00 ZN