USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 38:sc= 0.0563 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0212) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 180 MET CE :methyl 173:sc= 0 (180deg=-0.0482) 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= -0.0572 X(o=-0.057,f=-0.25) 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=-0.32) USER MOD Single : A 202 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.19) USER MOD Single : A 204 TYR OH : rot -10:sc= 0.133 USER MOD Single : A 207 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 214 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 217 LYS NZ :NH3+ 149:sc= 0.0102 (180deg=0) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 6.957 -14.906 -15.327 1.00 0.00 N ATOM 2 CA SER A 168 6.935 -13.831 -16.333 1.00 0.00 C ATOM 3 C SER A 168 7.624 -12.531 -15.871 1.00 0.00 C ATOM 4 O SER A 168 7.755 -11.595 -16.663 1.00 0.00 O ATOM 5 CB SER A 168 5.488 -13.525 -16.749 1.00 0.00 C ATOM 6 OG SER A 168 4.855 -14.680 -17.286 1.00 0.00 O ATOM 0 HA SER A 168 7.508 -14.203 -17.182 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.926 -13.166 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.480 -12.725 -17.489 1.00 0.00 H new ATOM 0 HG SER A 168 5.145 -15.473 -16.788 1.00 0.00 H new ATOM 12 N THR A 169 8.077 -12.487 -14.609 1.00 0.00 N ATOM 13 CA THR A 169 8.759 -11.368 -13.913 1.00 0.00 C ATOM 14 C THR A 169 7.827 -10.181 -13.605 1.00 0.00 C ATOM 15 O THR A 169 7.005 -9.783 -14.432 1.00 0.00 O ATOM 16 CB THR A 169 10.031 -10.905 -14.662 1.00 0.00 C ATOM 17 OG1 THR A 169 10.892 -12.007 -14.885 1.00 0.00 O ATOM 18 CG2 THR A 169 10.861 -9.880 -13.885 1.00 0.00 C ATOM 0 H THR A 169 7.971 -13.294 -13.994 1.00 0.00 H new ATOM 0 HA THR A 169 9.069 -11.772 -12.949 1.00 0.00 H new ATOM 0 HB THR A 169 9.668 -10.454 -15.585 1.00 0.00 H new ATOM 0 HG1 THR A 169 11.694 -11.705 -15.361 1.00 0.00 H new ATOM 0 HG21 THR A 169 11.737 -9.601 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 169 10.257 -8.994 -13.692 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.181 -10.314 -12.938 1.00 0.00 H new ATOM 26 N LYS A 170 7.977 -9.603 -12.399 1.00 0.00 N ATOM 27 CA LYS A 170 7.246 -8.438 -11.850 1.00 0.00 C ATOM 28 C LYS A 170 5.763 -8.347 -12.271 1.00 0.00 C ATOM 29 O LYS A 170 5.364 -7.470 -13.042 1.00 0.00 O ATOM 30 CB LYS A 170 8.056 -7.154 -12.122 1.00 0.00 C ATOM 31 CG LYS A 170 7.611 -5.992 -11.215 1.00 0.00 C ATOM 32 CD LYS A 170 8.423 -4.705 -11.439 1.00 0.00 C ATOM 33 CE LYS A 170 8.307 -4.129 -12.858 1.00 0.00 C ATOM 34 NZ LYS A 170 6.914 -3.760 -13.192 1.00 0.00 N ATOM 0 H LYS A 170 8.661 -9.961 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 170 7.169 -8.576 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 170 9.116 -7.353 -11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 170 7.939 -6.865 -13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 170 6.556 -5.784 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 170 7.705 -6.297 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 170 8.093 -3.951 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 170 9.472 -4.909 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 170 8.946 -3.251 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 170 8.671 -4.862 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 6.889 -3.313 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 6.321 -4.614 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 6.552 -3.093 -12.481 1.00 0.00 H new ATOM 48 N VAL A 171 4.957 -9.285 -11.762 1.00 0.00 N ATOM 49 CA VAL A 171 3.502 -9.393 -12.003 1.00 0.00 C ATOM 50 C VAL A 171 2.745 -8.090 -11.674 1.00 0.00 C ATOM 51 O VAL A 171 3.182 -7.296 -10.836 1.00 0.00 O ATOM 52 CB VAL A 171 2.941 -10.617 -11.241 1.00 0.00 C ATOM 53 CG1 VAL A 171 2.935 -10.439 -9.717 1.00 0.00 C ATOM 54 CG2 VAL A 171 1.534 -11.018 -11.698 1.00 0.00 C ATOM 0 H VAL A 171 5.307 -10.020 -11.147 1.00 0.00 H new ATOM 0 HA VAL A 171 3.342 -9.549 -13.070 1.00 0.00 H new ATOM 0 HB VAL A 171 3.635 -11.419 -11.493 1.00 0.00 H new ATOM 0 HG11 VAL A 171 2.529 -11.335 -9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 171 3.954 -10.275 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 171 2.318 -9.580 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 171 1.198 -11.882 -11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.848 -10.186 -11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 171 1.554 -11.271 -12.758 1.00 0.00 H new ATOM 64 N GLU A 172 1.595 -7.868 -12.319 1.00 0.00 N ATOM 65 CA GLU A 172 0.750 -6.671 -12.157 1.00 0.00 C ATOM 66 C GLU A 172 -0.705 -7.019 -11.777 1.00 0.00 C ATOM 67 O GLU A 172 -1.164 -8.151 -11.962 1.00 0.00 O ATOM 68 CB GLU A 172 0.783 -5.832 -13.450 1.00 0.00 C ATOM 69 CG GLU A 172 2.183 -5.301 -13.790 1.00 0.00 C ATOM 70 CD GLU A 172 2.145 -4.404 -15.033 1.00 0.00 C ATOM 71 OE1 GLU A 172 2.228 -4.951 -16.160 1.00 0.00 O ATOM 72 OE2 GLU A 172 2.031 -3.165 -14.864 1.00 0.00 O ATOM 0 H GLU A 172 1.211 -8.534 -12.989 1.00 0.00 H new ATOM 0 HA GLU A 172 1.160 -6.090 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 172 0.421 -6.440 -14.279 1.00 0.00 H new ATOM 0 HB3 GLU A 172 0.097 -4.991 -13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 172 2.578 -4.739 -12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 172 2.861 -6.137 -13.961 1.00 0.00 H new ATOM 79 N ALA A 173 -1.430 -6.032 -11.239 1.00 0.00 N ATOM 80 CA ALA A 173 -2.818 -6.139 -10.769 1.00 0.00 C ATOM 81 C ALA A 173 -3.576 -4.795 -10.932 1.00 0.00 C ATOM 82 O ALA A 173 -3.237 -3.988 -11.803 1.00 0.00 O ATOM 83 CB ALA A 173 -2.767 -6.635 -9.310 1.00 0.00 C ATOM 0 H ALA A 173 -1.049 -5.094 -11.113 1.00 0.00 H new ATOM 0 HA ALA A 173 -3.383 -6.851 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -3.781 -6.728 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.273 -7.606 -9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.210 -5.922 -8.702 1.00 0.00 H new ATOM 89 N LEU A 174 -4.595 -4.545 -10.096 1.00 0.00 N ATOM 90 CA LEU A 174 -5.421 -3.323 -10.061 1.00 0.00 C ATOM 91 C LEU A 174 -6.174 -3.023 -11.381 1.00 0.00 C ATOM 92 O LEU A 174 -6.319 -1.868 -11.788 1.00 0.00 O ATOM 93 CB LEU A 174 -4.567 -2.156 -9.503 1.00 0.00 C ATOM 94 CG LEU A 174 -5.335 -0.931 -8.959 1.00 0.00 C ATOM 95 CD1 LEU A 174 -6.219 -1.274 -7.757 1.00 0.00 C ATOM 96 CD2 LEU A 174 -4.334 0.138 -8.516 1.00 0.00 C ATOM 0 H LEU A 174 -4.882 -5.222 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 174 -6.253 -3.481 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -3.939 -2.547 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.899 -1.815 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.976 -0.576 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -6.735 -0.376 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -6.953 -2.026 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -5.600 -1.665 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.873 1.004 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.692 -0.267 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -3.723 0.439 -9.367 1.00 0.00 H new ATOM 108 N HIS A 175 -6.667 -4.068 -12.062 1.00 0.00 N ATOM 109 CA HIS A 175 -7.457 -3.943 -13.301 1.00 0.00 C ATOM 110 C HIS A 175 -8.756 -3.153 -13.045 1.00 0.00 C ATOM 111 O HIS A 175 -9.618 -3.596 -12.280 1.00 0.00 O ATOM 112 CB HIS A 175 -7.744 -5.338 -13.881 1.00 0.00 C ATOM 113 CG HIS A 175 -8.545 -5.284 -15.159 1.00 0.00 C ATOM 114 ND1 HIS A 175 -9.910 -5.471 -15.269 1.00 0.00 N ATOM 115 CD2 HIS A 175 -8.064 -4.989 -16.406 1.00 0.00 C ATOM 116 CE1 HIS A 175 -10.256 -5.285 -16.557 1.00 0.00 C ATOM 117 NE2 HIS A 175 -9.147 -4.996 -17.266 1.00 0.00 N ATOM 0 H HIS A 175 -6.528 -5.035 -11.767 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.880 -3.382 -14.036 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.800 -5.850 -14.070 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -8.285 -5.930 -13.143 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -7.036 -4.789 -16.668 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -11.257 -5.356 -16.956 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -9.112 -4.813 -18.269 1.00 0.00 H new ATOM 126 N GLN A 176 -8.882 -1.973 -13.657 1.00 0.00 N ATOM 127 CA GLN A 176 -10.036 -1.073 -13.508 1.00 0.00 C ATOM 128 C GLN A 176 -11.345 -1.625 -14.118 1.00 0.00 C ATOM 129 O GLN A 176 -11.337 -2.535 -14.947 1.00 0.00 O ATOM 130 CB GLN A 176 -9.682 0.319 -14.071 1.00 0.00 C ATOM 131 CG GLN A 176 -9.361 0.333 -15.577 1.00 0.00 C ATOM 132 CD GLN A 176 -9.099 1.743 -16.111 1.00 0.00 C ATOM 133 OE1 GLN A 176 -9.841 2.685 -15.864 1.00 0.00 O ATOM 134 NE2 GLN A 176 -8.039 1.952 -16.865 1.00 0.00 N ATOM 0 H GLN A 176 -8.169 -1.605 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 176 -10.243 -0.991 -12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -10.515 0.996 -13.883 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -8.824 0.711 -13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -8.487 -0.290 -15.764 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -10.192 -0.111 -16.126 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -7.408 1.181 -17.083 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -7.849 2.885 -17.231 1.00 0.00 H new ATOM 143 N ASN A 177 -12.483 -1.038 -13.729 1.00 0.00 N ATOM 144 CA ASN A 177 -13.833 -1.406 -14.194 1.00 0.00 C ATOM 145 C ASN A 177 -14.224 -0.796 -15.567 1.00 0.00 C ATOM 146 O ASN A 177 -15.403 -0.803 -15.935 1.00 0.00 O ATOM 147 CB ASN A 177 -14.841 -1.018 -13.089 1.00 0.00 C ATOM 148 CG ASN A 177 -14.638 -1.786 -11.790 1.00 0.00 C ATOM 149 OD1 ASN A 177 -14.412 -2.989 -11.770 1.00 0.00 O ATOM 150 ND2 ASN A 177 -14.716 -1.122 -10.657 1.00 0.00 N ATOM 0 H ASN A 177 -12.494 -0.268 -13.060 1.00 0.00 H new ATOM 0 HA ASN A 177 -13.847 -2.482 -14.370 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -14.756 0.050 -12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -15.853 -1.194 -13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -14.588 -1.610 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -14.904 -0.120 -10.665 1.00 0.00 H new ATOM 157 N ARG A 178 -13.256 -0.261 -16.327 1.00 0.00 N ATOM 158 CA ARG A 178 -13.434 0.384 -17.646 1.00 0.00 C ATOM 159 C ARG A 178 -12.391 -0.096 -18.664 1.00 0.00 C ATOM 160 O ARG A 178 -11.402 -0.737 -18.310 1.00 0.00 O ATOM 161 CB ARG A 178 -13.378 1.919 -17.488 1.00 0.00 C ATOM 162 CG ARG A 178 -14.536 2.488 -16.648 1.00 0.00 C ATOM 163 CD ARG A 178 -14.491 4.019 -16.561 1.00 0.00 C ATOM 164 NE ARG A 178 -14.752 4.661 -17.864 1.00 0.00 N ATOM 165 CZ ARG A 178 -14.680 5.956 -18.124 1.00 0.00 C ATOM 166 NH1 ARG A 178 -14.361 6.843 -17.217 1.00 0.00 N ATOM 167 NH2 ARG A 178 -14.933 6.400 -19.326 1.00 0.00 N ATOM 0 H ARG A 178 -12.281 -0.264 -16.029 1.00 0.00 H new ATOM 0 HA ARG A 178 -14.412 0.097 -18.033 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -12.432 2.195 -17.023 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -13.394 2.380 -18.476 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -15.486 2.178 -17.084 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -14.495 2.067 -15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -15.229 4.361 -15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -13.514 4.331 -16.194 1.00 0.00 H new ATOM 0 HE ARG A 178 -15.012 4.048 -18.637 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -14.155 6.546 -16.263 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -14.318 7.832 -17.464 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -15.187 5.748 -20.068 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -14.877 7.399 -19.523 1.00 0.00 H new ATOM 181 N GLU A 179 -12.606 0.228 -19.937 1.00 0.00 N ATOM 182 CA GLU A 179 -11.728 -0.129 -21.062 1.00 0.00 C ATOM 183 C GLU A 179 -11.814 0.926 -22.191 1.00 0.00 C ATOM 184 O GLU A 179 -12.541 1.918 -22.072 1.00 0.00 O ATOM 185 CB GLU A 179 -12.112 -1.546 -21.554 1.00 0.00 C ATOM 186 CG GLU A 179 -10.950 -2.372 -22.131 1.00 0.00 C ATOM 187 CD GLU A 179 -9.904 -2.733 -21.065 1.00 0.00 C ATOM 188 OE1 GLU A 179 -10.105 -3.747 -20.354 1.00 0.00 O ATOM 189 OE2 GLU A 179 -8.895 -1.994 -20.967 1.00 0.00 O ATOM 0 H GLU A 179 -13.423 0.765 -20.230 1.00 0.00 H new ATOM 0 HA GLU A 179 -10.688 -0.140 -20.736 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -12.551 -2.096 -20.722 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -12.885 -1.452 -22.317 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -11.343 -3.286 -22.575 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -10.470 -1.809 -22.932 1.00 0.00 H new ATOM 196 N MET A 180 -11.073 0.729 -23.288 1.00 0.00 N ATOM 197 CA MET A 180 -11.051 1.624 -24.457 1.00 0.00 C ATOM 198 C MET A 180 -12.427 1.773 -25.141 1.00 0.00 C ATOM 199 O MET A 180 -13.325 0.941 -24.976 1.00 0.00 O ATOM 200 CB MET A 180 -10.014 1.119 -25.478 1.00 0.00 C ATOM 201 CG MET A 180 -8.578 1.193 -24.940 1.00 0.00 C ATOM 202 SD MET A 180 -7.294 0.641 -26.101 1.00 0.00 S ATOM 203 CE MET A 180 -7.331 1.989 -27.318 1.00 0.00 C ATOM 0 H MET A 180 -10.456 -0.076 -23.392 1.00 0.00 H new ATOM 0 HA MET A 180 -10.776 2.613 -24.089 1.00 0.00 H new ATOM 0 HB2 MET A 180 -10.245 0.088 -25.747 1.00 0.00 H new ATOM 0 HB3 MET A 180 -10.088 1.711 -26.390 1.00 0.00 H new ATOM 0 HG2 MET A 180 -8.367 2.223 -24.651 1.00 0.00 H new ATOM 0 HG3 MET A 180 -8.513 0.588 -24.036 1.00 0.00 H new ATOM 0 HE1 MET A 180 -6.514 1.860 -28.028 1.00 0.00 H new ATOM 0 HE2 MET A 180 -8.282 1.972 -27.851 1.00 0.00 H new ATOM 0 HE3 MET A 180 -7.219 2.945 -26.806 1.00 0.00 H new ATOM 213 N ILE A 181 -12.577 2.837 -25.940 1.00 0.00 N ATOM 214 CA ILE A 181 -13.785 3.149 -26.721 1.00 0.00 C ATOM 215 C ILE A 181 -14.146 2.031 -27.726 1.00 0.00 C ATOM 216 O ILE A 181 -13.304 1.225 -28.128 1.00 0.00 O ATOM 217 CB ILE A 181 -13.638 4.557 -27.355 1.00 0.00 C ATOM 218 CG1 ILE A 181 -14.977 5.077 -27.926 1.00 0.00 C ATOM 219 CG2 ILE A 181 -12.510 4.624 -28.403 1.00 0.00 C ATOM 220 CD1 ILE A 181 -14.985 6.585 -28.211 1.00 0.00 C ATOM 0 H ILE A 181 -11.838 3.528 -26.066 1.00 0.00 H new ATOM 0 HA ILE A 181 -14.646 3.184 -26.054 1.00 0.00 H new ATOM 0 HB ILE A 181 -13.348 5.225 -26.544 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -15.200 4.541 -28.849 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -15.776 4.846 -27.222 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -12.454 5.632 -28.813 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -11.560 4.370 -27.932 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -12.717 3.917 -29.206 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -15.957 6.875 -28.609 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -14.794 7.131 -27.287 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -14.209 6.822 -28.939 1.00 0.00 H new ATOM 232 N ASP A 182 -15.419 1.981 -28.121 1.00 0.00 N ATOM 233 CA ASP A 182 -16.043 0.975 -28.994 1.00 0.00 C ATOM 234 C ASP A 182 -16.561 1.549 -30.337 1.00 0.00 C ATOM 235 O ASP A 182 -17.774 1.663 -30.540 1.00 0.00 O ATOM 236 CB ASP A 182 -17.127 0.239 -28.174 1.00 0.00 C ATOM 237 CG ASP A 182 -18.334 1.097 -27.747 1.00 0.00 C ATOM 238 OD1 ASP A 182 -18.123 2.233 -27.256 1.00 0.00 O ATOM 239 OD2 ASP A 182 -19.479 0.598 -27.864 1.00 0.00 O ATOM 0 H ASP A 182 -16.090 2.688 -27.821 1.00 0.00 H new ATOM 0 HA ASP A 182 -15.286 0.259 -29.313 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -17.492 -0.604 -28.761 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -16.662 -0.174 -27.279 1.00 0.00 H new ATOM 244 N PRO A 183 -15.662 1.929 -31.267 1.00 0.00 N ATOM 245 CA PRO A 183 -16.035 2.459 -32.578 1.00 0.00 C ATOM 246 C PRO A 183 -16.478 1.341 -33.538 1.00 0.00 C ATOM 247 O PRO A 183 -16.139 0.167 -33.362 1.00 0.00 O ATOM 248 CB PRO A 183 -14.761 3.136 -33.095 1.00 0.00 C ATOM 249 CG PRO A 183 -13.650 2.257 -32.523 1.00 0.00 C ATOM 250 CD PRO A 183 -14.210 1.852 -31.160 1.00 0.00 C ATOM 0 HA PRO A 183 -16.880 3.144 -32.509 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -14.733 3.165 -34.184 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -14.681 4.166 -32.747 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -13.454 1.390 -33.154 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -12.711 2.802 -32.429 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -13.894 0.843 -30.896 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -13.843 2.516 -30.377 1.00 0.00 H new ATOM 258 N ASP A 184 -17.187 1.715 -34.604 1.00 0.00 N ATOM 259 CA ASP A 184 -17.569 0.783 -35.672 1.00 0.00 C ATOM 260 C ASP A 184 -16.343 0.447 -36.547 1.00 0.00 C ATOM 261 O ASP A 184 -15.546 1.335 -36.873 1.00 0.00 O ATOM 262 CB ASP A 184 -18.717 1.367 -36.512 1.00 0.00 C ATOM 263 CG ASP A 184 -18.320 2.612 -37.318 1.00 0.00 C ATOM 264 OD1 ASP A 184 -18.188 3.695 -36.697 1.00 0.00 O ATOM 265 OD2 ASP A 184 -18.172 2.488 -38.557 1.00 0.00 O ATOM 0 H ASP A 184 -17.513 2.670 -34.754 1.00 0.00 H new ATOM 0 HA ASP A 184 -17.927 -0.144 -35.223 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -19.080 0.601 -37.198 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -19.546 1.622 -35.851 1.00 0.00 H new ATOM 270 N LYS A 185 -16.189 -0.823 -36.937 1.00 0.00 N ATOM 271 CA LYS A 185 -15.080 -1.331 -37.757 1.00 0.00 C ATOM 272 C LYS A 185 -15.593 -2.316 -38.809 1.00 0.00 C ATOM 273 O LYS A 185 -16.681 -2.877 -38.672 1.00 0.00 O ATOM 274 CB LYS A 185 -14.044 -2.006 -36.837 1.00 0.00 C ATOM 275 CG LYS A 185 -13.238 -1.060 -35.933 1.00 0.00 C ATOM 276 CD LYS A 185 -12.279 -0.160 -36.723 1.00 0.00 C ATOM 277 CE LYS A 185 -11.423 0.671 -35.764 1.00 0.00 C ATOM 278 NZ LYS A 185 -10.456 1.509 -36.505 1.00 0.00 N ATOM 0 H LYS A 185 -16.855 -1.552 -36.682 1.00 0.00 H new ATOM 0 HA LYS A 185 -14.609 -0.501 -38.284 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -14.562 -2.728 -36.206 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -13.346 -2.568 -37.458 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -13.926 -0.437 -35.361 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -12.668 -1.649 -35.214 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -11.637 -0.770 -37.359 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -12.846 0.499 -37.380 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -12.066 1.305 -35.154 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -10.888 0.009 -35.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -9.888 2.062 -35.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -9.829 0.900 -37.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -10.970 2.155 -37.137 1.00 0.00 H new ATOM 292 N PHE A 186 -14.797 -2.535 -39.851 1.00 0.00 N ATOM 293 CA PHE A 186 -15.120 -3.420 -40.973 1.00 0.00 C ATOM 294 C PHE A 186 -13.859 -4.076 -41.558 1.00 0.00 C ATOM 295 O PHE A 186 -12.772 -3.489 -41.534 1.00 0.00 O ATOM 296 CB PHE A 186 -15.855 -2.589 -42.045 1.00 0.00 C ATOM 297 CG PHE A 186 -16.176 -3.322 -43.339 1.00 0.00 C ATOM 298 CD1 PHE A 186 -17.153 -4.334 -43.354 1.00 0.00 C ATOM 299 CD2 PHE A 186 -15.492 -3.003 -44.529 1.00 0.00 C ATOM 300 CE1 PHE A 186 -17.419 -5.053 -44.533 1.00 0.00 C ATOM 301 CE2 PHE A 186 -15.784 -3.696 -45.719 1.00 0.00 C ATOM 302 CZ PHE A 186 -16.738 -4.730 -45.719 1.00 0.00 C ATOM 0 H PHE A 186 -13.883 -2.091 -39.944 1.00 0.00 H new ATOM 0 HA PHE A 186 -15.759 -4.231 -40.622 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -16.787 -2.220 -41.617 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -15.246 -1.717 -42.284 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -17.703 -4.561 -42.453 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -14.742 -2.225 -44.528 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -18.145 -5.852 -44.527 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -15.274 -3.433 -46.634 1.00 0.00 H new ATOM 0 HZ PHE A 186 -16.946 -5.274 -46.628 1.00 0.00 H new ATOM 312 N CYS A 187 -14.024 -5.278 -42.110 1.00 0.00 N ATOM 313 CA CYS A 187 -12.998 -6.069 -42.778 1.00 0.00 C ATOM 314 C CYS A 187 -13.460 -6.369 -44.214 1.00 0.00 C ATOM 315 O CYS A 187 -14.376 -7.165 -44.447 1.00 0.00 O ATOM 316 CB CYS A 187 -12.722 -7.344 -41.969 1.00 0.00 C ATOM 317 SG CYS A 187 -11.305 -8.222 -42.695 1.00 0.00 S ATOM 0 H CYS A 187 -14.928 -5.749 -42.101 1.00 0.00 H new ATOM 0 HA CYS A 187 -12.059 -5.519 -42.837 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -12.514 -7.091 -40.929 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -13.602 -7.987 -41.970 1.00 0.00 H new ATOM 322 N SER A 188 -12.844 -5.693 -45.188 1.00 0.00 N ATOM 323 CA SER A 188 -13.163 -5.846 -46.615 1.00 0.00 C ATOM 324 C SER A 188 -12.724 -7.207 -47.180 1.00 0.00 C ATOM 325 O SER A 188 -13.336 -7.725 -48.119 1.00 0.00 O ATOM 326 CB SER A 188 -12.501 -4.706 -47.400 1.00 0.00 C ATOM 327 OG SER A 188 -13.010 -4.631 -48.722 1.00 0.00 O ATOM 0 H SER A 188 -12.102 -5.017 -45.009 1.00 0.00 H new ATOM 0 HA SER A 188 -14.247 -5.802 -46.721 1.00 0.00 H new ATOM 0 HB2 SER A 188 -12.673 -3.760 -46.887 1.00 0.00 H new ATOM 0 HB3 SER A 188 -11.422 -4.860 -47.431 1.00 0.00 H new ATOM 0 HG SER A 188 -12.573 -3.896 -49.200 1.00 0.00 H new ATOM 333 N LEU A 189 -11.686 -7.816 -46.594 1.00 0.00 N ATOM 334 CA LEU A 189 -11.146 -9.115 -47.012 1.00 0.00 C ATOM 335 C LEU A 189 -12.058 -10.296 -46.615 1.00 0.00 C ATOM 336 O LEU A 189 -12.081 -11.311 -47.319 1.00 0.00 O ATOM 337 CB LEU A 189 -9.731 -9.308 -46.428 1.00 0.00 C ATOM 338 CG LEU A 189 -8.750 -8.130 -46.611 1.00 0.00 C ATOM 339 CD1 LEU A 189 -7.379 -8.507 -46.051 1.00 0.00 C ATOM 340 CD2 LEU A 189 -8.551 -7.710 -48.071 1.00 0.00 C ATOM 0 H LEU A 189 -11.188 -7.412 -45.801 1.00 0.00 H new ATOM 0 HA LEU A 189 -11.097 -9.109 -48.101 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -9.826 -9.512 -45.361 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -9.290 -10.194 -46.884 1.00 0.00 H new ATOM 0 HG LEU A 189 -9.197 -7.291 -46.077 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -6.690 -7.672 -46.183 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -7.471 -8.738 -44.990 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.997 -9.380 -46.581 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -7.849 -6.878 -48.118 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -8.155 -8.551 -48.641 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -9.507 -7.402 -48.495 1.00 0.00 H new ATOM 352 N CYS A 190 -12.806 -10.154 -45.514 1.00 0.00 N ATOM 353 CA CYS A 190 -13.688 -11.173 -44.930 1.00 0.00 C ATOM 354 C CYS A 190 -15.192 -10.817 -44.985 1.00 0.00 C ATOM 355 O CYS A 190 -16.032 -11.655 -44.640 1.00 0.00 O ATOM 356 CB CYS A 190 -13.266 -11.373 -43.460 1.00 0.00 C ATOM 357 SG CYS A 190 -11.516 -11.846 -43.277 1.00 0.00 S ATOM 0 H CYS A 190 -12.813 -9.285 -44.981 1.00 0.00 H new ATOM 0 HA CYS A 190 -13.576 -12.080 -45.524 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -13.447 -10.451 -42.908 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -13.893 -12.142 -43.010 1.00 0.00 H new ATOM 362 N HIS A 191 -15.536 -9.585 -45.386 1.00 0.00 N ATOM 363 CA HIS A 191 -16.899 -9.028 -45.405 1.00 0.00 C ATOM 364 C HIS A 191 -17.580 -9.176 -44.028 1.00 0.00 C ATOM 365 O HIS A 191 -18.639 -9.796 -43.888 1.00 0.00 O ATOM 366 CB HIS A 191 -17.693 -9.580 -46.604 1.00 0.00 C ATOM 367 CG HIS A 191 -18.930 -8.774 -46.912 1.00 0.00 C ATOM 368 ND1 HIS A 191 -18.969 -7.594 -47.633 1.00 0.00 N ATOM 369 CD2 HIS A 191 -20.209 -9.065 -46.525 1.00 0.00 C ATOM 370 CE1 HIS A 191 -20.248 -7.176 -47.684 1.00 0.00 C ATOM 371 NE2 HIS A 191 -21.018 -8.057 -47.014 1.00 0.00 N ATOM 0 H HIS A 191 -14.841 -8.918 -45.722 1.00 0.00 H new ATOM 0 HA HIS A 191 -16.859 -7.951 -45.569 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -17.049 -9.597 -47.483 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -17.980 -10.612 -46.399 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -20.527 -9.920 -45.947 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -20.599 -6.283 -48.180 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -22.028 -7.991 -46.889 1.00 0.00 H new ATOM 380 N ALA A 192 -16.931 -8.622 -43.000 1.00 0.00 N ATOM 381 CA ALA A 192 -17.338 -8.689 -41.591 1.00 0.00 C ATOM 382 C ALA A 192 -17.329 -7.297 -40.927 1.00 0.00 C ATOM 383 O ALA A 192 -16.504 -6.453 -41.273 1.00 0.00 O ATOM 384 CB ALA A 192 -16.389 -9.663 -40.876 1.00 0.00 C ATOM 0 H ALA A 192 -16.070 -8.091 -43.131 1.00 0.00 H new ATOM 0 HA ALA A 192 -18.365 -9.047 -41.518 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -16.666 -9.735 -39.824 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -16.462 -10.647 -41.338 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -15.365 -9.299 -40.957 1.00 0.00 H new ATOM 390 N THR A 193 -18.237 -7.064 -39.973 1.00 0.00 N ATOM 391 CA THR A 193 -18.432 -5.777 -39.266 1.00 0.00 C ATOM 392 C THR A 193 -18.346 -5.965 -37.748 1.00 0.00 C ATOM 393 O THR A 193 -18.767 -7.003 -37.228 1.00 0.00 O ATOM 394 CB THR A 193 -19.810 -5.181 -39.629 1.00 0.00 C ATOM 395 OG1 THR A 193 -19.998 -5.135 -41.031 1.00 0.00 O ATOM 396 CG2 THR A 193 -20.036 -3.758 -39.114 1.00 0.00 C ATOM 0 H THR A 193 -18.883 -7.787 -39.655 1.00 0.00 H new ATOM 0 HA THR A 193 -17.640 -5.096 -39.579 1.00 0.00 H new ATOM 0 HB THR A 193 -20.520 -5.850 -39.143 1.00 0.00 H new ATOM 0 HG1 THR A 193 -20.879 -4.755 -41.231 1.00 0.00 H new ATOM 0 HG21 THR A 193 -21.027 -3.416 -39.413 1.00 0.00 H new ATOM 0 HG22 THR A 193 -19.961 -3.748 -38.027 1.00 0.00 H new ATOM 0 HG23 THR A 193 -19.281 -3.094 -39.535 1.00 0.00 H new ATOM 404 N PHE A 194 -17.820 -4.968 -37.025 1.00 0.00 N ATOM 405 CA PHE A 194 -17.620 -5.006 -35.567 1.00 0.00 C ATOM 406 C PHE A 194 -17.971 -3.654 -34.924 1.00 0.00 C ATOM 407 O PHE A 194 -17.991 -2.625 -35.602 1.00 0.00 O ATOM 408 CB PHE A 194 -16.158 -5.402 -35.250 1.00 0.00 C ATOM 409 CG PHE A 194 -15.508 -6.326 -36.270 1.00 0.00 C ATOM 410 CD1 PHE A 194 -15.792 -7.705 -36.265 1.00 0.00 C ATOM 411 CD2 PHE A 194 -14.716 -5.783 -37.302 1.00 0.00 C ATOM 412 CE1 PHE A 194 -15.300 -8.528 -37.293 1.00 0.00 C ATOM 413 CE2 PHE A 194 -14.232 -6.603 -38.333 1.00 0.00 C ATOM 414 CZ PHE A 194 -14.529 -7.974 -38.330 1.00 0.00 C ATOM 0 H PHE A 194 -17.514 -4.091 -37.446 1.00 0.00 H new ATOM 0 HA PHE A 194 -18.290 -5.755 -35.143 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -15.560 -4.494 -35.171 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -16.132 -5.887 -34.274 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -16.388 -8.131 -35.471 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -14.480 -4.729 -37.299 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -15.514 -9.586 -37.286 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -13.633 -6.180 -39.126 1.00 0.00 H new ATOM 0 HZ PHE A 194 -14.164 -8.606 -39.126 1.00 0.00 H new ATOM 424 N ASN A 195 -18.245 -3.647 -33.616 1.00 0.00 N ATOM 425 CA ASN A 195 -18.612 -2.443 -32.854 1.00 0.00 C ATOM 426 C ASN A 195 -18.116 -2.506 -31.389 1.00 0.00 C ATOM 427 O ASN A 195 -18.777 -2.031 -30.467 1.00 0.00 O ATOM 428 CB ASN A 195 -20.139 -2.249 -32.978 1.00 0.00 C ATOM 429 CG ASN A 195 -20.594 -0.857 -32.559 1.00 0.00 C ATOM 430 OD1 ASN A 195 -20.046 0.155 -32.975 1.00 0.00 O ATOM 431 ND2 ASN A 195 -21.626 -0.752 -31.751 1.00 0.00 N ATOM 0 H ASN A 195 -18.218 -4.491 -33.044 1.00 0.00 H new ATOM 0 HA ASN A 195 -18.112 -1.568 -33.269 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -20.441 -2.430 -34.010 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -20.646 -2.992 -32.363 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -21.965 0.169 -31.474 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -22.087 -1.592 -31.401 1.00 0.00 H new ATOM 438 N ASP A 196 -16.960 -3.140 -31.166 1.00 0.00 N ATOM 439 CA ASP A 196 -16.315 -3.344 -29.860 1.00 0.00 C ATOM 440 C ASP A 196 -14.786 -3.481 -30.061 1.00 0.00 C ATOM 441 O ASP A 196 -14.369 -4.073 -31.064 1.00 0.00 O ATOM 442 CB ASP A 196 -16.947 -4.597 -29.219 1.00 0.00 C ATOM 443 CG ASP A 196 -16.275 -5.037 -27.918 1.00 0.00 C ATOM 444 OD1 ASP A 196 -15.214 -5.697 -28.016 1.00 0.00 O ATOM 445 OD2 ASP A 196 -16.804 -4.700 -26.833 1.00 0.00 O ATOM 0 H ASP A 196 -16.419 -3.546 -31.929 1.00 0.00 H new ATOM 0 HA ASP A 196 -16.470 -2.498 -29.191 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -18.001 -4.400 -29.023 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -16.904 -5.419 -29.934 1.00 0.00 H new ATOM 450 N PRO A 197 -13.936 -2.952 -29.152 1.00 0.00 N ATOM 451 CA PRO A 197 -12.481 -2.966 -29.328 1.00 0.00 C ATOM 452 C PRO A 197 -11.880 -4.371 -29.408 1.00 0.00 C ATOM 453 O PRO A 197 -11.065 -4.669 -30.282 1.00 0.00 O ATOM 454 CB PRO A 197 -11.896 -2.221 -28.116 1.00 0.00 C ATOM 455 CG PRO A 197 -13.014 -2.224 -27.077 1.00 0.00 C ATOM 456 CD PRO A 197 -14.282 -2.252 -27.919 1.00 0.00 C ATOM 0 HA PRO A 197 -12.237 -2.494 -30.280 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -11.004 -2.720 -27.738 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -11.605 -1.204 -28.380 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -12.949 -3.091 -26.420 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -12.974 -1.339 -26.442 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -15.087 -2.765 -27.393 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -14.632 -1.241 -28.130 1.00 0.00 H new ATOM 464 N VAL A 198 -12.288 -5.240 -28.483 1.00 0.00 N ATOM 465 CA VAL A 198 -11.796 -6.616 -28.373 1.00 0.00 C ATOM 466 C VAL A 198 -12.336 -7.471 -29.517 1.00 0.00 C ATOM 467 O VAL A 198 -11.577 -8.252 -30.083 1.00 0.00 O ATOM 468 CB VAL A 198 -12.124 -7.187 -26.981 1.00 0.00 C ATOM 469 CG1 VAL A 198 -11.625 -8.627 -26.810 1.00 0.00 C ATOM 470 CG2 VAL A 198 -11.452 -6.322 -25.899 1.00 0.00 C ATOM 0 H VAL A 198 -12.983 -5.004 -27.775 1.00 0.00 H new ATOM 0 HA VAL A 198 -10.710 -6.626 -28.469 1.00 0.00 H new ATOM 0 HB VAL A 198 -13.209 -7.180 -26.881 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -11.880 -8.985 -25.812 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -12.096 -9.266 -27.556 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -10.543 -8.655 -26.939 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -11.684 -6.726 -24.914 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -10.372 -6.327 -26.048 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -11.823 -5.299 -25.968 1.00 0.00 H new ATOM 480 N MET A 199 -13.597 -7.294 -29.928 1.00 0.00 N ATOM 481 CA MET A 199 -14.169 -8.008 -31.080 1.00 0.00 C ATOM 482 C MET A 199 -13.380 -7.704 -32.364 1.00 0.00 C ATOM 483 O MET A 199 -12.995 -8.623 -33.090 1.00 0.00 O ATOM 484 CB MET A 199 -15.650 -7.631 -31.247 1.00 0.00 C ATOM 485 CG MET A 199 -16.346 -8.446 -32.344 1.00 0.00 C ATOM 486 SD MET A 199 -16.406 -10.237 -32.056 1.00 0.00 S ATOM 487 CE MET A 199 -17.106 -10.770 -33.642 1.00 0.00 C ATOM 0 H MET A 199 -14.249 -6.654 -29.474 1.00 0.00 H new ATOM 0 HA MET A 199 -14.098 -9.080 -30.894 1.00 0.00 H new ATOM 0 HB2 MET A 199 -16.169 -7.784 -30.301 1.00 0.00 H new ATOM 0 HB3 MET A 199 -15.726 -6.570 -31.484 1.00 0.00 H new ATOM 0 HG2 MET A 199 -17.366 -8.078 -32.456 1.00 0.00 H new ATOM 0 HG3 MET A 199 -15.835 -8.263 -33.289 1.00 0.00 H new ATOM 0 HE1 MET A 199 -17.215 -11.855 -33.646 1.00 0.00 H new ATOM 0 HE2 MET A 199 -18.083 -10.307 -33.783 1.00 0.00 H new ATOM 0 HE3 MET A 199 -16.442 -10.469 -34.452 1.00 0.00 H new ATOM 497 N ALA A 200 -13.089 -6.420 -32.614 1.00 0.00 N ATOM 498 CA ALA A 200 -12.279 -5.987 -33.751 1.00 0.00 C ATOM 499 C ALA A 200 -10.875 -6.613 -33.698 1.00 0.00 C ATOM 500 O ALA A 200 -10.430 -7.246 -34.658 1.00 0.00 O ATOM 501 CB ALA A 200 -12.182 -4.456 -33.728 1.00 0.00 C ATOM 0 H ALA A 200 -13.413 -5.651 -32.027 1.00 0.00 H new ATOM 0 HA ALA A 200 -12.751 -6.317 -34.677 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -11.580 -4.117 -34.571 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -13.181 -4.027 -33.800 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -11.715 -4.135 -32.797 1.00 0.00 H new ATOM 507 N GLN A 201 -10.186 -6.462 -32.560 1.00 0.00 N ATOM 508 CA GLN A 201 -8.837 -6.988 -32.358 1.00 0.00 C ATOM 509 C GLN A 201 -8.766 -8.515 -32.551 1.00 0.00 C ATOM 510 O GLN A 201 -7.875 -9.009 -33.243 1.00 0.00 O ATOM 511 CB GLN A 201 -8.340 -6.571 -30.963 1.00 0.00 C ATOM 512 CG GLN A 201 -6.877 -6.974 -30.706 1.00 0.00 C ATOM 513 CD GLN A 201 -6.350 -6.519 -29.341 1.00 0.00 C ATOM 514 OE1 GLN A 201 -7.084 -6.201 -28.413 1.00 0.00 O ATOM 515 NE2 GLN A 201 -5.046 -6.475 -29.160 1.00 0.00 N ATOM 0 H GLN A 201 -10.555 -5.966 -31.749 1.00 0.00 H new ATOM 0 HA GLN A 201 -8.183 -6.562 -33.119 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -8.439 -5.491 -30.855 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -8.976 -7.027 -30.204 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -6.789 -8.058 -30.778 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -6.248 -6.550 -31.489 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -4.417 -6.736 -29.919 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -4.666 -6.180 -28.261 1.00 0.00 H new ATOM 524 N GLN A 202 -9.715 -9.262 -31.971 1.00 0.00 N ATOM 525 CA GLN A 202 -9.801 -10.721 -32.081 1.00 0.00 C ATOM 526 C GLN A 202 -10.031 -11.172 -33.528 1.00 0.00 C ATOM 527 O GLN A 202 -9.456 -12.181 -33.937 1.00 0.00 O ATOM 528 CB GLN A 202 -10.904 -11.269 -31.159 1.00 0.00 C ATOM 529 CG GLN A 202 -10.495 -11.269 -29.674 1.00 0.00 C ATOM 530 CD GLN A 202 -9.361 -12.245 -29.350 1.00 0.00 C ATOM 531 OE1 GLN A 202 -9.301 -13.371 -29.829 1.00 0.00 O ATOM 532 NE2 GLN A 202 -8.409 -11.858 -28.527 1.00 0.00 N ATOM 0 H GLN A 202 -10.459 -8.859 -31.401 1.00 0.00 H new ATOM 0 HA GLN A 202 -8.843 -11.130 -31.761 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -11.806 -10.669 -31.283 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -11.153 -12.286 -31.463 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -10.189 -10.262 -29.390 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -11.364 -11.521 -29.066 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -8.438 -10.925 -28.116 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -7.642 -12.491 -28.300 1.00 0.00 H new ATOM 541 N HIS A 203 -10.814 -10.431 -34.324 1.00 0.00 N ATOM 542 CA HIS A 203 -11.003 -10.768 -35.736 1.00 0.00 C ATOM 543 C HIS A 203 -9.678 -10.639 -36.506 1.00 0.00 C ATOM 544 O HIS A 203 -9.213 -11.618 -37.087 1.00 0.00 O ATOM 545 CB HIS A 203 -12.103 -9.912 -36.386 1.00 0.00 C ATOM 546 CG HIS A 203 -12.318 -10.307 -37.831 1.00 0.00 C ATOM 547 ND1 HIS A 203 -13.103 -11.346 -38.285 1.00 0.00 N ATOM 548 CD2 HIS A 203 -11.649 -9.808 -38.921 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.882 -11.491 -39.605 1.00 0.00 C ATOM 550 NE2 HIS A 203 -11.989 -10.584 -40.035 1.00 0.00 N ATOM 0 H HIS A 203 -11.321 -9.602 -34.015 1.00 0.00 H new ATOM 0 HA HIS A 203 -11.331 -11.806 -35.785 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -13.034 -10.029 -35.831 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -11.829 -8.859 -36.331 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.740 -11.907 -37.719 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -10.977 -8.963 -38.919 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -13.356 -12.233 -40.231 1.00 0.00 H new ATOM 558 N TYR A 204 -9.043 -9.460 -36.480 1.00 0.00 N ATOM 559 CA TYR A 204 -7.791 -9.174 -37.201 1.00 0.00 C ATOM 560 C TYR A 204 -6.578 -10.063 -36.841 1.00 0.00 C ATOM 561 O TYR A 204 -5.585 -10.062 -37.573 1.00 0.00 O ATOM 562 CB TYR A 204 -7.441 -7.684 -37.044 1.00 0.00 C ATOM 563 CG TYR A 204 -8.500 -6.700 -37.527 1.00 0.00 C ATOM 564 CD1 TYR A 204 -9.124 -6.874 -38.780 1.00 0.00 C ATOM 565 CD2 TYR A 204 -8.845 -5.588 -36.730 1.00 0.00 C ATOM 566 CE1 TYR A 204 -10.104 -5.966 -39.221 1.00 0.00 C ATOM 567 CE2 TYR A 204 -9.821 -4.672 -37.172 1.00 0.00 C ATOM 568 CZ TYR A 204 -10.455 -4.857 -38.420 1.00 0.00 C ATOM 569 OH TYR A 204 -11.379 -3.952 -38.844 1.00 0.00 O ATOM 0 H TYR A 204 -9.390 -8.662 -35.948 1.00 0.00 H new ATOM 0 HA TYR A 204 -7.995 -9.426 -38.242 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -7.241 -7.486 -35.991 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -6.516 -7.488 -37.586 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -8.848 -7.710 -39.405 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -8.359 -5.438 -35.777 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -10.589 -6.117 -40.174 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -10.085 -3.826 -36.554 1.00 0.00 H new ATOM 0 HH TYR A 204 -11.589 -4.116 -39.787 1.00 0.00 H new ATOM 579 N VAL A 205 -6.644 -10.835 -35.748 1.00 0.00 N ATOM 580 CA VAL A 205 -5.578 -11.752 -35.288 1.00 0.00 C ATOM 581 C VAL A 205 -6.020 -13.230 -35.265 1.00 0.00 C ATOM 582 O VAL A 205 -5.220 -14.118 -34.967 1.00 0.00 O ATOM 583 CB VAL A 205 -5.024 -11.258 -33.930 1.00 0.00 C ATOM 584 CG1 VAL A 205 -5.881 -11.688 -32.733 1.00 0.00 C ATOM 585 CG2 VAL A 205 -3.573 -11.686 -33.685 1.00 0.00 C ATOM 0 H VAL A 205 -7.461 -10.843 -35.138 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.766 -11.728 -36.015 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.061 -10.171 -34.008 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -5.437 -11.309 -31.813 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.888 -11.285 -32.843 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -5.928 -12.776 -32.692 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -3.241 -11.310 -32.717 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -3.508 -12.774 -33.693 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -2.936 -11.279 -34.470 1.00 0.00 H new ATOM 595 N GLY A 206 -7.286 -13.517 -35.589 1.00 0.00 N ATOM 596 CA GLY A 206 -7.860 -14.866 -35.574 1.00 0.00 C ATOM 597 C GLY A 206 -7.548 -15.708 -36.815 1.00 0.00 C ATOM 598 O GLY A 206 -7.290 -15.187 -37.905 1.00 0.00 O ATOM 0 H GLY A 206 -7.954 -12.801 -35.875 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -7.493 -15.392 -34.693 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -8.942 -14.785 -35.469 1.00 0.00 H new ATOM 602 N LYS A 207 -7.599 -17.038 -36.655 1.00 0.00 N ATOM 603 CA LYS A 207 -7.325 -18.021 -37.723 1.00 0.00 C ATOM 604 C LYS A 207 -8.213 -17.830 -38.957 1.00 0.00 C ATOM 605 O LYS A 207 -7.714 -17.928 -40.077 1.00 0.00 O ATOM 606 CB LYS A 207 -7.441 -19.455 -37.173 1.00 0.00 C ATOM 607 CG LYS A 207 -6.340 -19.767 -36.145 1.00 0.00 C ATOM 608 CD LYS A 207 -6.447 -21.214 -35.639 1.00 0.00 C ATOM 609 CE LYS A 207 -5.314 -21.571 -34.668 1.00 0.00 C ATOM 610 NZ LYS A 207 -5.406 -20.811 -33.402 1.00 0.00 N ATOM 0 H LYS A 207 -7.836 -17.473 -35.764 1.00 0.00 H new ATOM 0 HA LYS A 207 -6.302 -17.849 -38.058 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -8.418 -19.588 -36.709 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -7.380 -20.166 -37.997 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -5.361 -19.608 -36.597 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -6.418 -19.078 -35.304 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -7.407 -21.354 -35.142 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -6.425 -21.897 -36.488 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -5.345 -22.639 -34.452 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -4.354 -21.369 -35.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -4.652 -21.120 -32.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -5.299 -19.795 -33.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -6.332 -20.983 -32.960 1.00 0.00 H new ATOM 624 N LYS A 208 -9.500 -17.505 -38.770 1.00 0.00 N ATOM 625 CA LYS A 208 -10.455 -17.232 -39.864 1.00 0.00 C ATOM 626 C LYS A 208 -9.981 -16.083 -40.759 1.00 0.00 C ATOM 627 O LYS A 208 -9.931 -16.249 -41.978 1.00 0.00 O ATOM 628 CB LYS A 208 -11.854 -16.930 -39.292 1.00 0.00 C ATOM 629 CG LYS A 208 -12.585 -18.162 -38.725 1.00 0.00 C ATOM 630 CD LYS A 208 -12.916 -19.258 -39.754 1.00 0.00 C ATOM 631 CE LYS A 208 -13.764 -18.731 -40.919 1.00 0.00 C ATOM 632 NZ LYS A 208 -14.114 -19.815 -41.861 1.00 0.00 N ATOM 0 H LYS A 208 -9.917 -17.422 -37.843 1.00 0.00 H new ATOM 0 HA LYS A 208 -10.512 -18.127 -40.484 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -11.758 -16.184 -38.503 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -12.467 -16.487 -40.077 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -11.971 -18.599 -37.938 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -13.513 -17.831 -38.259 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -11.989 -19.678 -40.144 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -13.449 -20.069 -39.258 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -14.675 -18.275 -40.531 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -13.216 -17.950 -41.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -14.687 -19.428 -42.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -13.244 -20.233 -42.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -14.657 -20.547 -41.361 1.00 0.00 H new ATOM 646 N HIS A 209 -9.575 -14.958 -40.160 1.00 0.00 N ATOM 647 CA HIS A 209 -9.042 -13.806 -40.897 1.00 0.00 C ATOM 648 C HIS A 209 -7.767 -14.176 -41.652 1.00 0.00 C ATOM 649 O HIS A 209 -7.675 -13.932 -42.851 1.00 0.00 O ATOM 650 CB HIS A 209 -8.782 -12.629 -39.950 1.00 0.00 C ATOM 651 CG HIS A 209 -8.198 -11.420 -40.649 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.922 -10.476 -41.385 1.00 0.00 N ATOM 653 CD2 HIS A 209 -6.869 -11.109 -40.724 1.00 0.00 C ATOM 654 CE1 HIS A 209 -8.015 -9.629 -41.895 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.774 -9.983 -41.514 1.00 0.00 N ATOM 0 H HIS A 209 -9.607 -14.820 -39.150 1.00 0.00 H new ATOM 0 HA HIS A 209 -9.792 -13.503 -41.628 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -9.717 -12.345 -39.468 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -8.101 -12.949 -39.161 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -6.054 -11.641 -40.256 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -8.248 -8.782 -42.523 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.911 -9.501 -41.766 1.00 0.00 H new ATOM 663 N ARG A 210 -6.794 -14.814 -40.982 1.00 0.00 N ATOM 664 CA ARG A 210 -5.533 -15.239 -41.621 1.00 0.00 C ATOM 665 C ARG A 210 -5.778 -16.191 -42.800 1.00 0.00 C ATOM 666 O ARG A 210 -5.167 -16.016 -43.855 1.00 0.00 O ATOM 667 CB ARG A 210 -4.560 -15.838 -40.585 1.00 0.00 C ATOM 668 CG ARG A 210 -3.731 -14.772 -39.844 1.00 0.00 C ATOM 669 CD ARG A 210 -4.496 -13.998 -38.758 1.00 0.00 C ATOM 670 NE ARG A 210 -3.743 -12.821 -38.288 1.00 0.00 N ATOM 671 CZ ARG A 210 -2.694 -12.810 -37.482 1.00 0.00 C ATOM 672 NH1 ARG A 210 -2.197 -13.892 -36.942 1.00 0.00 N ATOM 673 NH2 ARG A 210 -2.112 -11.679 -37.193 1.00 0.00 N ATOM 0 H ARG A 210 -6.855 -15.049 -39.991 1.00 0.00 H new ATOM 0 HA ARG A 210 -5.060 -14.349 -42.037 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -5.127 -16.419 -39.857 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -3.884 -16.530 -41.088 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -2.869 -15.257 -39.385 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -3.345 -14.060 -40.574 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -5.461 -13.678 -39.152 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -4.699 -14.659 -37.916 1.00 0.00 H new ATOM 0 HE ARG A 210 -4.067 -11.913 -38.622 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -2.620 -14.799 -37.136 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -1.386 -13.829 -36.327 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -2.466 -10.808 -37.588 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -1.303 -11.666 -36.572 1.00 0.00 H new ATOM 687 N LYS A 211 -6.692 -17.156 -42.658 1.00 0.00 N ATOM 688 CA LYS A 211 -7.077 -18.109 -43.715 1.00 0.00 C ATOM 689 C LYS A 211 -7.716 -17.399 -44.914 1.00 0.00 C ATOM 690 O LYS A 211 -7.248 -17.561 -46.040 1.00 0.00 O ATOM 691 CB LYS A 211 -8.013 -19.170 -43.105 1.00 0.00 C ATOM 692 CG LYS A 211 -8.343 -20.317 -44.072 1.00 0.00 C ATOM 693 CD LYS A 211 -9.318 -21.306 -43.414 1.00 0.00 C ATOM 694 CE LYS A 211 -9.637 -22.500 -44.323 1.00 0.00 C ATOM 695 NZ LYS A 211 -8.493 -23.433 -44.426 1.00 0.00 N ATOM 0 H LYS A 211 -7.199 -17.303 -41.786 1.00 0.00 H new ATOM 0 HA LYS A 211 -6.185 -18.601 -44.102 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -7.549 -19.582 -42.209 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -8.940 -18.690 -42.792 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -8.782 -19.916 -44.986 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -7.428 -20.835 -44.359 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -8.890 -21.668 -42.479 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -10.243 -20.787 -43.161 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -10.506 -23.031 -43.934 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -9.903 -22.140 -45.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -8.747 -24.226 -45.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -7.671 -22.933 -44.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -8.255 -23.797 -43.481 1.00 0.00 H new ATOM 709 N GLN A 212 -8.755 -16.592 -44.689 1.00 0.00 N ATOM 710 CA GLN A 212 -9.450 -15.852 -45.753 1.00 0.00 C ATOM 711 C GLN A 212 -8.540 -14.815 -46.433 1.00 0.00 C ATOM 712 O GLN A 212 -8.549 -14.707 -47.660 1.00 0.00 O ATOM 713 CB GLN A 212 -10.733 -15.219 -45.191 1.00 0.00 C ATOM 714 CG GLN A 212 -11.791 -16.289 -44.864 1.00 0.00 C ATOM 715 CD GLN A 212 -13.053 -15.706 -44.225 1.00 0.00 C ATOM 716 OE1 GLN A 212 -13.349 -15.919 -43.055 1.00 0.00 O ATOM 717 NE2 GLN A 212 -13.872 -14.994 -44.973 1.00 0.00 N ATOM 0 H GLN A 212 -9.143 -16.430 -43.759 1.00 0.00 H new ATOM 0 HA GLN A 212 -9.728 -16.557 -46.536 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -10.497 -14.652 -44.291 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -11.139 -14.513 -45.915 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -12.063 -16.814 -45.779 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -11.357 -17.027 -44.190 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -13.640 -14.808 -45.949 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -14.738 -14.629 -44.576 1.00 0.00 H new ATOM 726 N GLU A 213 -7.697 -14.110 -45.673 1.00 0.00 N ATOM 727 CA GLU A 213 -6.690 -13.180 -46.200 1.00 0.00 C ATOM 728 C GLU A 213 -5.704 -13.932 -47.110 1.00 0.00 C ATOM 729 O GLU A 213 -5.413 -13.471 -48.213 1.00 0.00 O ATOM 730 CB GLU A 213 -5.970 -12.497 -45.023 1.00 0.00 C ATOM 731 CG GLU A 213 -4.854 -11.535 -45.446 1.00 0.00 C ATOM 732 CD GLU A 213 -4.226 -10.861 -44.219 1.00 0.00 C ATOM 733 OE1 GLU A 213 -4.760 -9.817 -43.774 1.00 0.00 O ATOM 734 OE2 GLU A 213 -3.199 -11.386 -43.728 1.00 0.00 O ATOM 0 H GLU A 213 -7.694 -14.170 -44.655 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.170 -12.410 -46.804 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.703 -11.949 -44.431 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -5.547 -13.265 -44.375 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -4.089 -12.079 -46.000 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -5.256 -10.777 -46.118 1.00 0.00 H new ATOM 741 N THR A 214 -5.235 -15.114 -46.689 1.00 0.00 N ATOM 742 CA THR A 214 -4.346 -15.969 -47.495 1.00 0.00 C ATOM 743 C THR A 214 -5.031 -16.401 -48.795 1.00 0.00 C ATOM 744 O THR A 214 -4.416 -16.304 -49.857 1.00 0.00 O ATOM 745 CB THR A 214 -3.864 -17.200 -46.704 1.00 0.00 C ATOM 746 OG1 THR A 214 -3.139 -16.788 -45.565 1.00 0.00 O ATOM 747 CG2 THR A 214 -2.917 -18.094 -47.509 1.00 0.00 C ATOM 0 H THR A 214 -5.461 -15.508 -45.776 1.00 0.00 H new ATOM 0 HA THR A 214 -3.469 -15.373 -47.747 1.00 0.00 H new ATOM 0 HB THR A 214 -4.765 -17.758 -46.448 1.00 0.00 H new ATOM 0 HG1 THR A 214 -3.762 -16.483 -44.873 1.00 0.00 H new ATOM 0 HG21 THR A 214 -2.612 -18.944 -46.898 1.00 0.00 H new ATOM 0 HG22 THR A 214 -3.428 -18.454 -48.402 1.00 0.00 H new ATOM 0 HG23 THR A 214 -2.036 -17.522 -47.800 1.00 0.00 H new ATOM 755 N LYS A 215 -6.306 -16.824 -48.754 1.00 0.00 N ATOM 756 CA LYS A 215 -7.069 -17.199 -49.963 1.00 0.00 C ATOM 757 C LYS A 215 -7.204 -16.022 -50.935 1.00 0.00 C ATOM 758 O LYS A 215 -6.976 -16.192 -52.133 1.00 0.00 O ATOM 759 CB LYS A 215 -8.454 -17.764 -49.583 1.00 0.00 C ATOM 760 CG LYS A 215 -8.495 -19.300 -49.526 1.00 0.00 C ATOM 761 CD LYS A 215 -7.609 -19.911 -48.433 1.00 0.00 C ATOM 762 CE LYS A 215 -7.710 -21.438 -48.470 1.00 0.00 C ATOM 763 NZ LYS A 215 -6.832 -22.050 -47.452 1.00 0.00 N ATOM 0 H LYS A 215 -6.837 -16.916 -47.888 1.00 0.00 H new ATOM 0 HA LYS A 215 -6.509 -17.981 -50.476 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -8.747 -17.364 -48.612 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.191 -17.415 -50.307 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -9.525 -19.619 -49.365 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -8.186 -19.697 -50.493 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -6.574 -19.603 -48.578 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -7.917 -19.542 -47.455 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -8.742 -21.742 -48.296 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -7.433 -21.801 -49.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -6.918 -23.085 -47.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -5.845 -21.776 -47.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -7.114 -21.720 -46.507 1.00 0.00 H new ATOM 777 N LEU A 216 -7.532 -14.829 -50.433 1.00 0.00 N ATOM 778 CA LEU A 216 -7.662 -13.612 -51.244 1.00 0.00 C ATOM 779 C LEU A 216 -6.312 -13.221 -51.872 1.00 0.00 C ATOM 780 O LEU A 216 -6.245 -12.994 -53.081 1.00 0.00 O ATOM 781 CB LEU A 216 -8.293 -12.508 -50.373 1.00 0.00 C ATOM 782 CG LEU A 216 -8.892 -11.328 -51.166 1.00 0.00 C ATOM 783 CD1 LEU A 216 -9.913 -10.603 -50.291 1.00 0.00 C ATOM 784 CD2 LEU A 216 -7.849 -10.296 -51.606 1.00 0.00 C ATOM 0 H LEU A 216 -7.717 -14.677 -49.441 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.326 -13.781 -52.092 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.077 -12.951 -49.759 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.534 -12.123 -49.692 1.00 0.00 H new ATOM 0 HG LEU A 216 -9.341 -11.757 -52.062 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -10.340 -9.768 -50.846 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -10.707 -11.295 -50.009 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -9.422 -10.229 -49.393 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -8.340 -9.495 -52.158 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.355 -9.881 -50.728 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -7.109 -10.777 -52.246 1.00 0.00 H new ATOM 796 N LYS A 217 -5.223 -13.206 -51.090 1.00 0.00 N ATOM 797 CA LYS A 217 -3.860 -12.926 -51.584 1.00 0.00 C ATOM 798 C LYS A 217 -3.424 -13.937 -52.648 1.00 0.00 C ATOM 799 O LYS A 217 -2.889 -13.539 -53.682 1.00 0.00 O ATOM 800 CB LYS A 217 -2.865 -12.896 -50.412 1.00 0.00 C ATOM 801 CG LYS A 217 -2.999 -11.608 -49.585 1.00 0.00 C ATOM 802 CD LYS A 217 -2.075 -11.644 -48.361 1.00 0.00 C ATOM 803 CE LYS A 217 -2.185 -10.330 -47.581 1.00 0.00 C ATOM 804 NZ LYS A 217 -1.343 -10.358 -46.366 1.00 0.00 N ATOM 0 H LYS A 217 -5.260 -13.389 -50.087 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.870 -11.945 -52.059 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.034 -13.760 -49.769 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -1.848 -12.978 -50.796 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.754 -10.746 -50.205 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -4.033 -11.485 -49.262 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -2.343 -12.482 -47.717 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -1.044 -11.803 -48.678 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -1.881 -9.499 -48.218 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -3.224 -10.155 -47.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -1.009 -9.397 -46.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -1.901 -10.716 -45.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.526 -10.982 -46.524 1.00 0.00 H new ATOM 818 N LEU A 218 -3.685 -15.230 -52.439 1.00 0.00 N ATOM 819 CA LEU A 218 -3.375 -16.286 -53.407 1.00 0.00 C ATOM 820 C LEU A 218 -4.147 -16.075 -54.722 1.00 0.00 C ATOM 821 O LEU A 218 -3.557 -16.141 -55.800 1.00 0.00 O ATOM 822 CB LEU A 218 -3.674 -17.653 -52.765 1.00 0.00 C ATOM 823 CG LEU A 218 -3.214 -18.862 -53.600 1.00 0.00 C ATOM 824 CD1 LEU A 218 -1.691 -18.901 -53.754 1.00 0.00 C ATOM 825 CD2 LEU A 218 -3.660 -20.151 -52.907 1.00 0.00 C ATOM 0 H LEU A 218 -4.122 -15.577 -51.585 1.00 0.00 H new ATOM 0 HA LEU A 218 -2.317 -16.251 -53.667 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -3.191 -17.696 -51.789 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -4.747 -17.733 -52.593 1.00 0.00 H new ATOM 0 HG LEU A 218 -3.661 -18.770 -54.590 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -1.408 -19.769 -54.349 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -1.352 -17.993 -54.252 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -1.227 -18.969 -52.770 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -3.337 -21.010 -53.494 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -3.215 -20.203 -51.913 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -4.746 -20.160 -52.819 1.00 0.00 H new ATOM 837 N MET A 219 -5.444 -15.755 -54.641 1.00 0.00 N ATOM 838 CA MET A 219 -6.278 -15.442 -55.809 1.00 0.00 C ATOM 839 C MET A 219 -5.749 -14.205 -56.558 1.00 0.00 C ATOM 840 O MET A 219 -5.683 -14.213 -57.788 1.00 0.00 O ATOM 841 CB MET A 219 -7.736 -15.257 -55.358 1.00 0.00 C ATOM 842 CG MET A 219 -8.692 -15.069 -56.541 1.00 0.00 C ATOM 843 SD MET A 219 -10.431 -14.905 -56.055 1.00 0.00 S ATOM 844 CE MET A 219 -11.180 -14.695 -57.693 1.00 0.00 C ATOM 0 H MET A 219 -5.949 -15.705 -53.756 1.00 0.00 H new ATOM 0 HA MET A 219 -6.235 -16.273 -56.513 1.00 0.00 H new ATOM 0 HB2 MET A 219 -8.047 -16.125 -54.777 1.00 0.00 H new ATOM 0 HB3 MET A 219 -7.803 -14.392 -54.699 1.00 0.00 H new ATOM 0 HG2 MET A 219 -8.395 -14.181 -57.099 1.00 0.00 H new ATOM 0 HG3 MET A 219 -8.591 -15.919 -57.216 1.00 0.00 H new ATOM 0 HE1 MET A 219 -12.259 -14.578 -57.588 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.764 -13.809 -58.172 1.00 0.00 H new ATOM 0 HE3 MET A 219 -10.968 -15.572 -58.305 1.00 0.00 H new ATOM 854 N ALA A 220 -5.327 -13.159 -55.836 1.00 0.00 N ATOM 855 CA ALA A 220 -4.739 -11.952 -56.420 1.00 0.00 C ATOM 856 C ALA A 220 -3.424 -12.268 -57.165 1.00 0.00 C ATOM 857 O ALA A 220 -3.234 -11.811 -58.295 1.00 0.00 O ATOM 858 CB ALA A 220 -4.542 -10.905 -55.316 1.00 0.00 C ATOM 0 H ALA A 220 -5.386 -13.129 -54.818 1.00 0.00 H new ATOM 0 HA ALA A 220 -5.419 -11.544 -57.168 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -4.104 -10.003 -55.744 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -5.506 -10.663 -54.868 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -3.876 -11.304 -54.551 1.00 0.00 H new ATOM 864 N ARG A 221 -2.543 -13.095 -56.574 1.00 0.00 N ATOM 865 CA ARG A 221 -1.287 -13.561 -57.199 1.00 0.00 C ATOM 866 C ARG A 221 -1.566 -14.361 -58.476 1.00 0.00 C ATOM 867 O ARG A 221 -0.935 -14.117 -59.502 1.00 0.00 O ATOM 868 CB ARG A 221 -0.472 -14.402 -56.201 1.00 0.00 C ATOM 869 CG ARG A 221 0.183 -13.551 -55.102 1.00 0.00 C ATOM 870 CD ARG A 221 0.845 -14.455 -54.056 1.00 0.00 C ATOM 871 NE ARG A 221 1.506 -13.667 -53.000 1.00 0.00 N ATOM 872 CZ ARG A 221 2.235 -14.154 -52.008 1.00 0.00 C ATOM 873 NH1 ARG A 221 2.444 -15.435 -51.847 1.00 0.00 N ATOM 874 NH2 ARG A 221 2.783 -13.349 -51.139 1.00 0.00 N ATOM 0 H ARG A 221 -2.684 -13.465 -55.634 1.00 0.00 H new ATOM 0 HA ARG A 221 -0.702 -12.684 -57.476 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -1.124 -15.144 -55.740 1.00 0.00 H new ATOM 0 HB3 ARG A 221 0.301 -14.949 -56.740 1.00 0.00 H new ATOM 0 HG2 ARG A 221 0.927 -12.886 -55.541 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -0.567 -12.920 -54.625 1.00 0.00 H new ATOM 0 HD2 ARG A 221 0.094 -15.106 -53.609 1.00 0.00 H new ATOM 0 HD3 ARG A 221 1.577 -15.100 -54.542 1.00 0.00 H new ATOM 0 HE ARG A 221 1.391 -12.654 -53.037 1.00 0.00 H new ATOM 0 HH11 ARG A 221 2.038 -16.104 -52.501 1.00 0.00 H new ATOM 0 HH12 ARG A 221 3.013 -15.765 -51.067 1.00 0.00 H new ATOM 0 HH21 ARG A 221 2.650 -12.341 -51.223 1.00 0.00 H new ATOM 0 HH22 ARG A 221 3.344 -13.728 -50.376 1.00 0.00 H new ATOM 888 N TYR A 222 -2.538 -15.277 -58.436 1.00 0.00 N ATOM 889 CA TYR A 222 -2.968 -16.080 -59.591 1.00 0.00 C ATOM 890 C TYR A 222 -3.614 -15.243 -60.716 1.00 0.00 C ATOM 891 O TYR A 222 -3.691 -15.708 -61.856 1.00 0.00 O ATOM 892 CB TYR A 222 -3.949 -17.172 -59.124 1.00 0.00 C ATOM 893 CG TYR A 222 -3.411 -18.336 -58.297 1.00 0.00 C ATOM 894 CD1 TYR A 222 -2.039 -18.492 -57.997 1.00 0.00 C ATOM 895 CD2 TYR A 222 -4.327 -19.316 -57.864 1.00 0.00 C ATOM 896 CE1 TYR A 222 -1.592 -19.623 -57.285 1.00 0.00 C ATOM 897 CE2 TYR A 222 -3.885 -20.449 -57.153 1.00 0.00 C ATOM 898 CZ TYR A 222 -2.512 -20.610 -56.869 1.00 0.00 C ATOM 899 OH TYR A 222 -2.068 -21.712 -56.204 1.00 0.00 O ATOM 0 H TYR A 222 -3.060 -15.487 -57.585 1.00 0.00 H new ATOM 0 HA TYR A 222 -2.069 -16.527 -60.015 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.731 -16.686 -58.541 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.426 -17.589 -60.011 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -1.330 -17.742 -58.315 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.379 -19.197 -58.080 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -0.542 -19.735 -57.057 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -4.596 -21.193 -56.826 1.00 0.00 H new ATOM 0 HH TYR A 222 -2.828 -22.292 -55.988 1.00 0.00 H new ATOM 909 N GLY A 223 -4.070 -14.016 -60.426 1.00 0.00 N ATOM 910 CA GLY A 223 -4.708 -13.103 -61.384 1.00 0.00 C ATOM 911 C GLY A 223 -3.845 -12.730 -62.600 1.00 0.00 C ATOM 912 O GLY A 223 -4.387 -12.521 -63.689 1.00 0.00 O ATOM 0 H GLY A 223 -4.003 -13.620 -59.489 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -5.631 -13.561 -61.739 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -4.987 -12.188 -60.861 1.00 0.00 H new ATOM 916 N ARG A 224 -2.514 -12.674 -62.438 1.00 0.00 N ATOM 917 CA ARG A 224 -1.541 -12.375 -63.507 1.00 0.00 C ATOM 918 C ARG A 224 -0.178 -13.007 -63.199 1.00 0.00 C ATOM 919 O ARG A 224 0.476 -12.634 -62.225 1.00 0.00 O ATOM 920 CB ARG A 224 -1.428 -10.848 -63.693 1.00 0.00 C ATOM 921 CG ARG A 224 -0.551 -10.475 -64.902 1.00 0.00 C ATOM 922 CD ARG A 224 -0.480 -8.959 -65.133 1.00 0.00 C ATOM 923 NE ARG A 224 -1.778 -8.399 -65.555 1.00 0.00 N ATOM 924 CZ ARG A 224 -2.003 -7.149 -65.928 1.00 0.00 C ATOM 925 NH1 ARG A 224 -1.061 -6.241 -65.962 1.00 0.00 N ATOM 926 NH2 ARG A 224 -3.202 -6.776 -66.284 1.00 0.00 N ATOM 0 H ARG A 224 -2.070 -12.840 -61.535 1.00 0.00 H new ATOM 0 HA ARG A 224 -1.893 -12.811 -64.442 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -2.424 -10.425 -63.824 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -1.009 -10.403 -62.791 1.00 0.00 H new ATOM 0 HG2 ARG A 224 0.456 -10.863 -64.750 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -0.947 -10.957 -65.796 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -0.155 -8.468 -64.216 1.00 0.00 H new ATOM 0 HD3 ARG A 224 0.271 -8.744 -65.893 1.00 0.00 H new ATOM 0 HE ARG A 224 -2.576 -9.034 -65.560 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -0.108 -6.485 -65.694 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -1.280 -5.289 -66.256 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -3.969 -7.448 -66.275 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -3.372 -5.812 -66.571 1.00 0.00 H new ATOM 940 N LEU A 225 0.250 -13.946 -64.046 1.00 0.00 N ATOM 941 CA LEU A 225 1.526 -14.675 -63.958 1.00 0.00 C ATOM 942 C LEU A 225 2.148 -14.853 -65.357 1.00 0.00 C ATOM 943 O LEU A 225 1.432 -14.917 -66.361 1.00 0.00 O ATOM 944 CB LEU A 225 1.290 -16.058 -63.308 1.00 0.00 C ATOM 945 CG LEU A 225 0.871 -16.046 -61.825 1.00 0.00 C ATOM 946 CD1 LEU A 225 0.535 -17.469 -61.374 1.00 0.00 C ATOM 947 CD2 LEU A 225 1.981 -15.519 -60.911 1.00 0.00 C ATOM 0 H LEU A 225 -0.306 -14.235 -64.851 1.00 0.00 H new ATOM 0 HA LEU A 225 2.217 -14.097 -63.344 1.00 0.00 H new ATOM 0 HB2 LEU A 225 0.520 -16.578 -63.878 1.00 0.00 H new ATOM 0 HB3 LEU A 225 2.206 -16.642 -63.401 1.00 0.00 H new ATOM 0 HG LEU A 225 0.007 -15.386 -61.746 1.00 0.00 H new ATOM 0 HD11 LEU A 225 0.239 -17.458 -60.325 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -0.285 -17.858 -61.978 1.00 0.00 H new ATOM 0 HD13 LEU A 225 1.411 -18.106 -61.497 1.00 0.00 H new ATOM 0 HD21 LEU A 225 1.637 -15.530 -59.877 1.00 0.00 H new ATOM 0 HD22 LEU A 225 2.863 -16.153 -61.007 1.00 0.00 H new ATOM 0 HD23 LEU A 225 2.235 -14.498 -61.198 1.00 0.00 H new ATOM 959 N ALA A 226 3.481 -14.941 -65.416 1.00 0.00 N ATOM 960 CA ALA A 226 4.258 -15.096 -66.656 1.00 0.00 C ATOM 961 C ALA A 226 5.513 -15.996 -66.506 1.00 0.00 C ATOM 962 O ALA A 226 6.366 -16.034 -67.396 1.00 0.00 O ATOM 963 CB ALA A 226 4.618 -13.688 -67.159 1.00 0.00 C ATOM 0 H ALA A 226 4.067 -14.906 -64.582 1.00 0.00 H new ATOM 0 HA ALA A 226 3.644 -15.622 -67.387 1.00 0.00 H new ATOM 0 HB1 ALA A 226 5.196 -13.767 -68.080 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.704 -13.126 -67.351 1.00 0.00 H new ATOM 0 HB3 ALA A 226 5.209 -13.172 -66.403 1.00 0.00 H new ATOM 969 N ASP A 227 5.646 -16.725 -65.390 1.00 0.00 N ATOM 970 CA ASP A 227 6.779 -17.617 -65.095 1.00 0.00 C ATOM 971 C ASP A 227 6.938 -18.730 -66.147 1.00 0.00 C ATOM 972 O ASP A 227 8.039 -19.256 -66.359 1.00 0.00 O ATOM 973 CB ASP A 227 6.598 -18.198 -63.683 1.00 0.00 C ATOM 974 CG ASP A 227 7.803 -19.036 -63.235 1.00 0.00 C ATOM 975 OD1 ASP A 227 8.872 -18.433 -62.974 1.00 0.00 O ATOM 976 OD2 ASP A 227 7.655 -20.279 -63.143 1.00 0.00 O ATOM 0 H ASP A 227 4.949 -16.711 -64.645 1.00 0.00 H new ATOM 0 HA ASP A 227 7.700 -17.036 -65.136 1.00 0.00 H new ATOM 0 HB2 ASP A 227 6.442 -17.384 -62.975 1.00 0.00 H new ATOM 0 HB3 ASP A 227 5.701 -18.816 -63.660 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -10.938 -10.268 -41.788 1.00 0.00 ZN