USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 298 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 Set 1.1: A 168 THR OG1 : rot 74:sc= 0.113 USER MOD Set 1.2: A 171 MET CE :methyl -149:sc= -11.6! (180deg=-15.7!) USER MOD Set 2.1: A 166 MET CE :methyl -166:sc= -3.85! (180deg=-3.54!) USER MOD Set 2.2: A 189 ASN : amide:sc= -1.24 K(o=-5.1,f=-8.2!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 MET CE :methyl 131:sc= -8.43! (180deg=-9.99!) USER MOD Single : A 175 TYR OH : rot -172:sc= -1.42 USER MOD Single : A 187 SER OG : rot 77:sc= -1.36! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -4.83! C(o=-4.8!,f=-13!) USER MOD Single : A 192 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 197 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.838 1.532 2.022 1.00 0.00 N ATOM 121 CA GLU A 164 -7.768 0.253 2.708 1.00 0.00 C ATOM 122 C GLU A 164 -8.088 -0.909 1.772 1.00 0.00 C ATOM 123 O GLU A 164 -7.509 -1.985 1.895 1.00 0.00 O ATOM 124 CB GLU A 164 -8.720 0.241 3.904 1.00 0.00 C ATOM 125 CG GLU A 164 -8.297 1.173 5.028 1.00 0.00 C ATOM 126 CD GLU A 164 -9.207 1.081 6.236 1.00 0.00 C ATOM 127 OE1 GLU A 164 -9.488 -0.052 6.680 1.00 0.00 O ATOM 128 OE2 GLU A 164 -9.638 2.142 6.737 1.00 0.00 O ATOM 0 HA GLU A 164 -6.745 0.124 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.718 0.522 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -8.789 -0.775 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.276 0.935 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.290 2.199 4.661 1.00 0.00 H new ATOM 135 N THR A 165 -9.010 -0.692 0.832 1.00 0.00 N ATOM 136 CA THR A 165 -9.386 -1.739 -0.117 1.00 0.00 C ATOM 137 C THR A 165 -8.253 -1.976 -1.107 1.00 0.00 C ATOM 138 O THR A 165 -8.054 -3.091 -1.596 1.00 0.00 O ATOM 139 CB THR A 165 -10.662 -1.367 -0.869 1.00 0.00 C ATOM 140 OG1 THR A 165 -11.766 -1.305 0.017 1.00 0.00 O ATOM 141 CG2 THR A 165 -11.005 -2.347 -1.967 1.00 0.00 C ATOM 0 H THR A 165 -9.505 0.191 0.709 1.00 0.00 H new ATOM 0 HA THR A 165 -9.574 -2.654 0.445 1.00 0.00 H new ATOM 0 HB THR A 165 -10.466 -0.393 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 165 -12.574 -1.064 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.921 -2.029 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 165 -10.191 -2.381 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 165 -11.150 -3.338 -1.538 1.00 0.00 H new ATOM 149 N MET A 166 -7.488 -0.925 -1.364 1.00 0.00 N ATOM 150 CA MET A 166 -6.360 -0.985 -2.232 1.00 0.00 C ATOM 151 C MET A 166 -5.377 -1.940 -1.620 1.00 0.00 C ATOM 152 O MET A 166 -4.892 -2.893 -2.233 1.00 0.00 O ATOM 153 CB MET A 166 -5.782 0.415 -2.270 1.00 0.00 C ATOM 154 CG MET A 166 -4.953 0.680 -3.464 1.00 0.00 C ATOM 155 SD MET A 166 -5.392 2.215 -4.303 1.00 0.00 S ATOM 156 CE MET A 166 -4.168 3.340 -3.631 1.00 0.00 C ATOM 0 H MET A 166 -7.650 -0.002 -0.962 1.00 0.00 H new ATOM 0 HA MET A 166 -6.608 -1.320 -3.239 1.00 0.00 H new ATOM 0 HB2 MET A 166 -6.598 1.137 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 166 -5.179 0.574 -1.376 1.00 0.00 H new ATOM 0 HG2 MET A 166 -3.904 0.721 -3.169 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.056 -0.151 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.456 4.367 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 166 -4.107 3.208 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 166 -3.196 3.130 -4.078 1.00 0.00 H new ATOM 166 N LEU A 167 -5.153 -1.660 -0.363 1.00 0.00 N ATOM 167 CA LEU A 167 -4.293 -2.440 0.479 1.00 0.00 C ATOM 168 C LEU A 167 -4.726 -3.890 0.458 1.00 0.00 C ATOM 169 O LEU A 167 -3.901 -4.783 0.379 1.00 0.00 O ATOM 170 CB LEU A 167 -4.396 -1.908 1.898 1.00 0.00 C ATOM 171 CG LEU A 167 -3.934 -0.466 2.075 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.795 -0.147 3.567 1.00 0.00 C ATOM 173 CD2 LEU A 167 -2.566 -0.272 1.423 1.00 0.00 C ATOM 0 H LEU A 167 -5.575 -0.863 0.113 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.266 -2.371 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.433 -1.985 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.806 -2.547 2.554 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.669 0.191 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.465 0.884 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.759 -0.280 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -3.063 -0.818 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.244 0.761 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -1.842 -0.940 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -2.635 -0.498 0.359 1.00 0.00 H new ATOM 185 N THR A 168 -6.035 -4.097 0.538 1.00 0.00 N ATOM 186 CA THR A 168 -6.614 -5.431 0.546 1.00 0.00 C ATOM 187 C THR A 168 -6.343 -6.157 -0.760 1.00 0.00 C ATOM 188 O THR A 168 -6.259 -7.381 -0.787 1.00 0.00 O ATOM 189 CB THR A 168 -8.118 -5.355 0.801 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.382 -5.011 2.149 1.00 0.00 O ATOM 191 CG2 THR A 168 -8.831 -6.654 0.509 1.00 0.00 C ATOM 0 H THR A 168 -6.722 -3.345 0.599 1.00 0.00 H new ATOM 0 HA THR A 168 -6.143 -5.995 1.351 1.00 0.00 H new ATOM 0 HB THR A 168 -8.493 -4.589 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 168 -8.182 -4.062 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 168 -9.896 -6.537 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.686 -6.922 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.427 -7.442 1.145 1.00 0.00 H new ATOM 199 N GLU A 169 -6.178 -5.405 -1.835 1.00 0.00 N ATOM 200 CA GLU A 169 -5.873 -6.006 -3.122 1.00 0.00 C ATOM 201 C GLU A 169 -4.430 -6.515 -3.088 1.00 0.00 C ATOM 202 O GLU A 169 -4.161 -7.728 -2.995 1.00 0.00 O ATOM 203 CB GLU A 169 -6.065 -4.974 -4.237 1.00 0.00 C ATOM 204 CG GLU A 169 -7.046 -5.412 -5.311 1.00 0.00 C ATOM 205 CD GLU A 169 -6.372 -6.148 -6.453 1.00 0.00 C ATOM 206 OE1 GLU A 169 -5.391 -5.612 -7.007 1.00 0.00 O ATOM 207 OE2 GLU A 169 -6.828 -7.263 -6.792 1.00 0.00 O ATOM 0 H GLU A 169 -6.249 -4.388 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.545 -6.841 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.413 -4.039 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -5.100 -4.769 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.803 -6.057 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.564 -4.537 -5.703 1.00 0.00 H new ATOM 214 N ILE A 170 -3.500 -5.573 -3.104 1.00 0.00 N ATOM 215 CA ILE A 170 -2.094 -5.910 -3.020 1.00 0.00 C ATOM 216 C ILE A 170 -1.890 -6.869 -1.866 1.00 0.00 C ATOM 217 O ILE A 170 -0.996 -7.712 -1.870 1.00 0.00 O ATOM 218 CB ILE A 170 -1.246 -4.650 -2.830 1.00 0.00 C ATOM 219 CG1 ILE A 170 -1.383 -3.805 -4.083 1.00 0.00 C ATOM 220 CG2 ILE A 170 0.201 -5.007 -2.576 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.202 -2.331 -3.852 1.00 0.00 C ATOM 0 H ILE A 170 -3.695 -4.574 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.778 -6.384 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.594 -4.091 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.649 -4.140 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.368 -3.976 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.783 -4.095 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.273 -5.616 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.592 -5.567 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.315 -1.798 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -1.952 -1.979 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.207 -2.146 -3.448 1.00 0.00 H new ATOM 233 N MET A 171 -2.769 -6.738 -0.890 1.00 0.00 N ATOM 234 CA MET A 171 -2.754 -7.597 0.281 1.00 0.00 C ATOM 235 C MET A 171 -2.874 -9.045 -0.139 1.00 0.00 C ATOM 236 O MET A 171 -1.939 -9.829 -0.010 1.00 0.00 O ATOM 237 CB MET A 171 -3.921 -7.253 1.193 1.00 0.00 C ATOM 238 CG MET A 171 -3.511 -6.452 2.395 1.00 0.00 C ATOM 239 SD MET A 171 -4.737 -6.476 3.711 1.00 0.00 S ATOM 240 CE MET A 171 -5.092 -4.727 3.834 1.00 0.00 C ATOM 0 H MET A 171 -3.510 -6.037 -0.885 1.00 0.00 H new ATOM 0 HA MET A 171 -1.814 -7.444 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.665 -6.693 0.626 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.400 -8.174 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.568 -6.841 2.778 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.331 -5.420 2.093 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.358 -4.481 4.862 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.211 -4.155 3.541 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.923 -4.477 3.174 1.00 0.00 H new ATOM 250 N SER A 172 -4.045 -9.383 -0.654 1.00 0.00 N ATOM 251 CA SER A 172 -4.318 -10.734 -1.124 1.00 0.00 C ATOM 252 C SER A 172 -3.049 -11.342 -1.702 1.00 0.00 C ATOM 253 O SER A 172 -2.813 -12.545 -1.593 1.00 0.00 O ATOM 254 CB SER A 172 -5.427 -10.721 -2.179 1.00 0.00 C ATOM 255 OG SER A 172 -4.942 -11.167 -3.434 1.00 0.00 O ATOM 0 H SER A 172 -4.827 -8.737 -0.758 1.00 0.00 H new ATOM 0 HA SER A 172 -4.653 -11.339 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 172 -6.249 -11.360 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.827 -9.712 -2.278 1.00 0.00 H new ATOM 0 HG SER A 172 -5.670 -11.151 -4.090 1.00 0.00 H new ATOM 261 N MET A 173 -2.222 -10.488 -2.303 1.00 0.00 N ATOM 262 CA MET A 173 -0.964 -10.927 -2.880 1.00 0.00 C ATOM 263 C MET A 173 0.145 -10.987 -1.824 1.00 0.00 C ATOM 264 O MET A 173 1.294 -10.645 -2.099 1.00 0.00 O ATOM 265 CB MET A 173 -0.553 -9.996 -4.014 1.00 0.00 C ATOM 266 CG MET A 173 -1.650 -9.043 -4.452 1.00 0.00 C ATOM 267 SD MET A 173 -1.386 -8.394 -6.112 1.00 0.00 S ATOM 268 CE MET A 173 0.085 -7.408 -5.852 1.00 0.00 C ATOM 0 H MET A 173 -2.405 -9.489 -2.400 1.00 0.00 H new ATOM 0 HA MET A 173 -1.110 -11.933 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 173 0.315 -9.416 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.243 -10.596 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 173 -2.609 -9.559 -4.417 1.00 0.00 H new ATOM 0 HG3 MET A 173 -1.708 -8.214 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.822 -7.645 -6.619 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.171 -6.350 -5.909 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.501 -7.628 -4.869 1.00 0.00 H new ATOM 278 N GLY A 174 -0.208 -11.438 -0.623 1.00 0.00 N ATOM 279 CA GLY A 174 0.761 -11.554 0.453 1.00 0.00 C ATOM 280 C GLY A 174 1.441 -10.245 0.816 1.00 0.00 C ATOM 281 O GLY A 174 2.666 -10.188 0.914 1.00 0.00 O ATOM 0 H GLY A 174 -1.154 -11.727 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.261 -11.949 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.522 -12.280 0.166 1.00 0.00 H new ATOM 285 N TYR A 175 0.655 -9.192 1.026 1.00 0.00 N ATOM 286 CA TYR A 175 1.211 -7.893 1.390 1.00 0.00 C ATOM 287 C TYR A 175 0.299 -7.131 2.354 1.00 0.00 C ATOM 288 O TYR A 175 -0.528 -6.323 1.938 1.00 0.00 O ATOM 289 CB TYR A 175 1.459 -7.050 0.143 1.00 0.00 C ATOM 290 CG TYR A 175 2.322 -7.741 -0.895 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.555 -8.272 -0.550 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.903 -7.864 -2.215 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.352 -8.904 -1.487 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.692 -8.496 -3.158 1.00 0.00 C ATOM 295 CZ TYR A 175 3.915 -9.014 -2.788 1.00 0.00 C ATOM 296 OH TYR A 175 4.705 -9.642 -3.724 1.00 0.00 O ATOM 0 H TYR A 175 -0.362 -9.213 0.951 1.00 0.00 H new ATOM 0 HA TYR A 175 2.157 -8.079 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.501 -6.792 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.936 -6.115 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.900 -8.191 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.946 -7.459 -2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.311 -9.309 -1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.352 -8.584 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 175 4.313 -9.525 -4.614 1.00 0.00 H new ATOM 306 N GLU A 176 0.468 -7.388 3.648 1.00 0.00 N ATOM 307 CA GLU A 176 -0.331 -6.726 4.679 1.00 0.00 C ATOM 308 C GLU A 176 -0.674 -5.290 4.292 1.00 0.00 C ATOM 309 O GLU A 176 0.017 -4.668 3.487 1.00 0.00 O ATOM 310 CB GLU A 176 0.414 -6.740 6.013 1.00 0.00 C ATOM 311 CG GLU A 176 -0.472 -7.078 7.200 1.00 0.00 C ATOM 312 CD GLU A 176 0.169 -8.083 8.136 1.00 0.00 C ATOM 313 OE1 GLU A 176 1.388 -8.324 8.005 1.00 0.00 O ATOM 314 OE2 GLU A 176 -0.548 -8.629 9.002 1.00 0.00 O ATOM 0 H GLU A 176 1.153 -8.052 4.010 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.265 -7.279 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.226 -7.465 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 176 0.869 -5.763 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.698 -6.166 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.421 -7.476 6.839 1.00 0.00 H new ATOM 321 N ARG A 177 -1.753 -4.779 4.874 1.00 0.00 N ATOM 322 CA ARG A 177 -2.220 -3.421 4.604 1.00 0.00 C ATOM 323 C ARG A 177 -1.141 -2.385 4.881 1.00 0.00 C ATOM 324 O ARG A 177 -1.100 -1.341 4.241 1.00 0.00 O ATOM 325 CB ARG A 177 -3.465 -3.122 5.457 1.00 0.00 C ATOM 326 CG ARG A 177 -3.285 -2.023 6.506 1.00 0.00 C ATOM 327 CD ARG A 177 -4.217 -2.224 7.690 1.00 0.00 C ATOM 328 NE ARG A 177 -5.310 -3.144 7.380 1.00 0.00 N ATOM 329 CZ ARG A 177 -6.408 -2.788 6.724 1.00 0.00 C ATOM 330 NH1 ARG A 177 -6.562 -1.537 6.313 1.00 0.00 N ATOM 331 NH2 ARG A 177 -7.355 -3.682 6.477 1.00 0.00 N ATOM 0 H ARG A 177 -2.328 -5.290 5.544 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.472 -3.359 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.282 -2.839 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.769 -4.039 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -2.252 -2.015 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.476 -1.051 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.649 -2.609 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -4.629 -1.262 7.994 1.00 0.00 H new ATOM 0 HE ARG A 177 -5.224 -4.114 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -5.836 -0.846 6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -7.406 -1.266 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -7.241 -4.646 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -8.198 -3.406 5.973 1.00 0.00 H new ATOM 345 N GLU A 178 -0.315 -2.650 5.875 1.00 0.00 N ATOM 346 CA GLU A 178 0.717 -1.699 6.269 1.00 0.00 C ATOM 347 C GLU A 178 1.908 -1.669 5.316 1.00 0.00 C ATOM 348 O GLU A 178 2.528 -0.624 5.132 1.00 0.00 O ATOM 349 CB GLU A 178 1.195 -1.991 7.691 1.00 0.00 C ATOM 350 CG GLU A 178 1.614 -3.434 7.907 1.00 0.00 C ATOM 351 CD GLU A 178 0.696 -4.172 8.863 1.00 0.00 C ATOM 352 OE1 GLU A 178 -0.534 -3.974 8.776 1.00 0.00 O ATOM 353 OE2 GLU A 178 1.209 -4.947 9.697 1.00 0.00 O ATOM 0 H GLU A 178 -0.334 -3.509 6.424 1.00 0.00 H new ATOM 0 HA GLU A 178 0.255 -0.712 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 178 2.036 -1.338 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 178 0.397 -1.744 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 178 1.626 -3.952 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 178 2.632 -3.458 8.295 1.00 0.00 H new ATOM 360 N ARG A 179 2.243 -2.804 4.723 1.00 0.00 N ATOM 361 CA ARG A 179 3.368 -2.870 3.812 1.00 0.00 C ATOM 362 C ARG A 179 3.070 -2.142 2.518 1.00 0.00 C ATOM 363 O ARG A 179 3.937 -1.506 1.919 1.00 0.00 O ATOM 364 CB ARG A 179 3.686 -4.327 3.511 1.00 0.00 C ATOM 365 CG ARG A 179 4.324 -5.075 4.671 1.00 0.00 C ATOM 366 CD ARG A 179 5.784 -4.693 4.857 1.00 0.00 C ATOM 367 NE ARG A 179 6.099 -4.391 6.251 1.00 0.00 N ATOM 368 CZ ARG A 179 6.186 -5.316 7.200 1.00 0.00 C ATOM 369 NH1 ARG A 179 5.984 -6.593 6.905 1.00 0.00 N ATOM 370 NH2 ARG A 179 6.478 -4.966 8.445 1.00 0.00 N ATOM 0 H ARG A 179 1.752 -3.688 4.857 1.00 0.00 H new ATOM 0 HA ARG A 179 4.223 -2.387 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.766 -4.837 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.355 -4.372 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 179 3.773 -4.862 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 179 4.249 -6.148 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 179 6.419 -5.509 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 179 6.013 -3.826 4.238 1.00 0.00 H new ATOM 0 HE ARG A 179 6.261 -3.418 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 179 5.761 -6.866 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 179 6.051 -7.302 7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 179 6.636 -3.985 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 179 6.544 -5.678 9.173 1.00 0.00 H new ATOM 384 N VAL A 180 1.836 -2.253 2.096 1.00 0.00 N ATOM 385 CA VAL A 180 1.389 -1.636 0.860 1.00 0.00 C ATOM 386 C VAL A 180 0.990 -0.197 1.078 1.00 0.00 C ATOM 387 O VAL A 180 1.319 0.648 0.261 1.00 0.00 O ATOM 388 CB VAL A 180 0.274 -2.477 0.203 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.423 -3.328 1.242 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.711 -1.624 -0.569 1.00 0.00 C ATOM 0 H VAL A 180 1.111 -2.770 2.593 1.00 0.00 H new ATOM 0 HA VAL A 180 2.224 -1.616 0.159 1.00 0.00 H new ATOM 0 HB VAL A 180 0.744 -3.137 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.207 -3.916 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.300 -3.998 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.865 -2.684 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.476 -2.262 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.181 -0.910 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.186 -1.086 -1.358 1.00 0.00 H new ATOM 400 N VAL A 181 0.329 0.093 2.186 1.00 0.00 N ATOM 401 CA VAL A 181 -0.045 1.465 2.478 1.00 0.00 C ATOM 402 C VAL A 181 1.209 2.277 2.688 1.00 0.00 C ATOM 403 O VAL A 181 1.321 3.407 2.228 1.00 0.00 O ATOM 404 CB VAL A 181 -0.973 1.572 3.700 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.194 1.794 4.983 1.00 0.00 C ATOM 406 CG2 VAL A 181 -1.968 2.682 3.510 1.00 0.00 C ATOM 0 H VAL A 181 0.044 -0.591 2.887 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.607 1.856 1.630 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.502 0.623 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.887 1.864 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.488 0.959 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.377 2.719 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.616 2.743 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.439 3.627 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.571 2.482 2.624 1.00 0.00 H new ATOM 416 N ALA A 182 2.172 1.656 3.339 1.00 0.00 N ATOM 417 CA ALA A 182 3.463 2.279 3.551 1.00 0.00 C ATOM 418 C ALA A 182 4.153 2.320 2.208 1.00 0.00 C ATOM 419 O ALA A 182 4.942 3.218 1.919 1.00 0.00 O ATOM 420 CB ALA A 182 4.291 1.496 4.583 1.00 0.00 C ATOM 0 H ALA A 182 2.085 0.718 3.731 1.00 0.00 H new ATOM 0 HA ALA A 182 3.348 3.286 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.255 1.985 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.757 1.468 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.449 0.478 4.226 1.00 0.00 H new ATOM 426 N ALA A 183 3.793 1.356 1.362 1.00 0.00 N ATOM 427 CA ALA A 183 4.321 1.305 0.018 1.00 0.00 C ATOM 428 C ALA A 183 3.585 2.328 -0.828 1.00 0.00 C ATOM 429 O ALA A 183 4.066 2.745 -1.882 1.00 0.00 O ATOM 430 CB ALA A 183 4.179 -0.085 -0.572 1.00 0.00 C ATOM 0 H ALA A 183 3.140 0.607 1.591 1.00 0.00 H new ATOM 0 HA ALA A 183 5.386 1.539 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.584 -0.094 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.725 -0.799 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 183 3.125 -0.362 -0.601 1.00 0.00 H new ATOM 436 N LEU A 184 2.429 2.773 -0.322 1.00 0.00 N ATOM 437 CA LEU A 184 1.656 3.792 -0.997 1.00 0.00 C ATOM 438 C LEU A 184 2.347 5.111 -0.726 1.00 0.00 C ATOM 439 O LEU A 184 2.601 5.888 -1.625 1.00 0.00 O ATOM 440 CB LEU A 184 0.197 3.835 -0.502 1.00 0.00 C ATOM 441 CG LEU A 184 -0.656 2.592 -0.811 1.00 0.00 C ATOM 442 CD1 LEU A 184 -1.953 2.610 -0.025 1.00 0.00 C ATOM 443 CD2 LEU A 184 -0.960 2.508 -2.297 1.00 0.00 C ATOM 0 H LEU A 184 2.019 2.438 0.550 1.00 0.00 H new ATOM 0 HA LEU A 184 1.607 3.577 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.205 3.987 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.290 4.705 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.081 1.715 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.535 1.720 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.732 2.624 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.526 3.499 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.564 1.623 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.508 3.398 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.027 2.443 -2.856 1.00 0.00 H new ATOM 455 N ARG A 185 2.716 5.326 0.529 1.00 0.00 N ATOM 456 CA ARG A 185 3.439 6.525 0.898 1.00 0.00 C ATOM 457 C ARG A 185 4.771 6.516 0.171 1.00 0.00 C ATOM 458 O ARG A 185 5.341 7.564 -0.131 1.00 0.00 O ATOM 459 CB ARG A 185 3.658 6.583 2.411 1.00 0.00 C ATOM 460 CG ARG A 185 2.444 6.162 3.219 1.00 0.00 C ATOM 461 CD ARG A 185 2.664 6.384 4.705 1.00 0.00 C ATOM 462 NE ARG A 185 1.405 6.492 5.438 1.00 0.00 N ATOM 463 CZ ARG A 185 1.316 6.939 6.685 1.00 0.00 C ATOM 464 NH1 ARG A 185 2.409 7.318 7.335 1.00 0.00 N ATOM 465 NH2 ARG A 185 0.135 7.008 7.285 1.00 0.00 N ATOM 0 H ARG A 185 2.526 4.687 1.301 1.00 0.00 H new ATOM 0 HA ARG A 185 2.862 7.406 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.498 5.940 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.935 7.599 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.572 6.727 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.229 5.109 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.250 5.559 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 185 3.248 7.293 4.853 1.00 0.00 H new ATOM 0 HE ARG A 185 0.547 6.208 4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 185 3.319 7.266 6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 185 2.339 7.661 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 185 -0.707 6.717 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 185 0.069 7.352 8.243 1.00 0.00 H new ATOM 479 N ALA A 186 5.255 5.307 -0.112 1.00 0.00 N ATOM 480 CA ALA A 186 6.520 5.137 -0.817 1.00 0.00 C ATOM 481 C ALA A 186 6.300 4.986 -2.324 1.00 0.00 C ATOM 482 O ALA A 186 7.258 5.000 -3.099 1.00 0.00 O ATOM 483 CB ALA A 186 7.270 3.934 -0.270 1.00 0.00 C ATOM 0 H ALA A 186 4.790 4.434 0.137 1.00 0.00 H new ATOM 0 HA ALA A 186 7.119 6.033 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.213 3.819 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.471 4.082 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.665 3.037 -0.403 1.00 0.00 H new ATOM 489 N SER A 187 5.043 4.833 -2.737 1.00 0.00 N ATOM 490 CA SER A 187 4.720 4.668 -4.155 1.00 0.00 C ATOM 491 C SER A 187 3.894 5.841 -4.697 1.00 0.00 C ATOM 492 O SER A 187 3.578 5.875 -5.881 1.00 0.00 O ATOM 493 CB SER A 187 3.953 3.365 -4.386 1.00 0.00 C ATOM 494 OG SER A 187 4.774 2.239 -4.122 1.00 0.00 O ATOM 0 H SER A 187 4.235 4.820 -2.115 1.00 0.00 H new ATOM 0 HA SER A 187 5.668 4.638 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.074 3.337 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.596 3.326 -5.415 1.00 0.00 H new ATOM 0 HG SER A 187 4.855 2.113 -3.154 1.00 0.00 H new ATOM 500 N TYR A 188 3.556 6.797 -3.834 1.00 0.00 N ATOM 501 CA TYR A 188 2.766 7.965 -4.242 1.00 0.00 C ATOM 502 C TYR A 188 1.271 7.629 -4.356 1.00 0.00 C ATOM 503 O TYR A 188 0.632 7.971 -5.349 1.00 0.00 O ATOM 504 CB TYR A 188 3.271 8.494 -5.592 1.00 0.00 C ATOM 505 CG TYR A 188 3.038 9.981 -5.813 1.00 0.00 C ATOM 506 CD1 TYR A 188 3.405 10.917 -4.851 1.00 0.00 C ATOM 507 CD2 TYR A 188 2.451 10.450 -6.987 1.00 0.00 C ATOM 508 CE1 TYR A 188 3.194 12.269 -5.051 1.00 0.00 C ATOM 509 CE2 TYR A 188 2.237 11.800 -7.190 1.00 0.00 C ATOM 510 CZ TYR A 188 2.610 12.703 -6.221 1.00 0.00 C ATOM 511 OH TYR A 188 2.400 14.050 -6.421 1.00 0.00 O ATOM 0 H TYR A 188 3.815 6.789 -2.847 1.00 0.00 H new ATOM 0 HA TYR A 188 2.887 8.728 -3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 188 4.339 8.291 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.781 7.939 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 188 3.863 10.582 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 188 2.158 9.746 -7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 188 3.486 12.981 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 188 1.779 12.145 -8.105 1.00 0.00 H new ATOM 0 HH TYR A 188 1.981 14.189 -7.296 1.00 0.00 H new ATOM 521 N ASN A 189 0.721 6.954 -3.339 1.00 0.00 N ATOM 522 CA ASN A 189 -0.691 6.562 -3.314 1.00 0.00 C ATOM 523 C ASN A 189 -0.978 5.380 -4.234 1.00 0.00 C ATOM 524 O ASN A 189 -1.907 4.608 -3.992 1.00 0.00 O ATOM 525 CB ASN A 189 -1.591 7.731 -3.695 1.00 0.00 C ATOM 526 CG ASN A 189 -3.056 7.350 -3.703 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.495 6.531 -4.510 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.821 7.947 -2.800 1.00 0.00 N ATOM 0 H ASN A 189 1.243 6.665 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 189 -0.908 6.257 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.435 8.550 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -1.308 8.098 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.817 7.734 -2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.413 8.620 -2.151 1.00 0.00 H new ATOM 535 N ASN A 190 -0.194 5.245 -5.292 1.00 0.00 N ATOM 536 CA ASN A 190 -0.386 4.165 -6.238 1.00 0.00 C ATOM 537 C ASN A 190 -0.391 2.818 -5.532 1.00 0.00 C ATOM 538 O ASN A 190 0.284 2.633 -4.520 1.00 0.00 O ATOM 539 CB ASN A 190 0.704 4.144 -7.294 1.00 0.00 C ATOM 540 CG ASN A 190 1.127 5.520 -7.765 1.00 0.00 C ATOM 541 OD1 ASN A 190 1.654 6.329 -7.011 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.896 5.781 -9.032 1.00 0.00 N ATOM 0 H ASN A 190 0.580 5.871 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.349 4.340 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.574 3.624 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.355 3.568 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 190 1.158 6.686 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 190 0.455 5.078 -9.625 1.00 0.00 H new ATOM 549 N PRO A 191 -1.155 1.861 -6.061 1.00 0.00 N ATOM 550 CA PRO A 191 -1.285 0.516 -5.525 1.00 0.00 C ATOM 551 C PRO A 191 -0.376 -0.468 -6.239 1.00 0.00 C ATOM 552 O PRO A 191 0.548 -1.019 -5.651 1.00 0.00 O ATOM 553 CB PRO A 191 -2.734 0.177 -5.836 1.00 0.00 C ATOM 554 CG PRO A 191 -3.210 1.243 -6.788 1.00 0.00 C ATOM 555 CD PRO A 191 -1.985 1.993 -7.237 1.00 0.00 C ATOM 0 HA PRO A 191 -1.017 0.461 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -2.816 -0.813 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.337 0.166 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -3.727 0.800 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -3.917 1.913 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.527 1.549 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.201 3.034 -7.479 1.00 0.00 H new ATOM 563 N HIS A 192 -0.653 -0.684 -7.524 1.00 0.00 N ATOM 564 CA HIS A 192 0.148 -1.589 -8.325 1.00 0.00 C ATOM 565 C HIS A 192 1.618 -1.285 -8.093 1.00 0.00 C ATOM 566 O HIS A 192 2.415 -2.184 -7.837 1.00 0.00 O ATOM 567 CB HIS A 192 -0.201 -1.438 -9.805 1.00 0.00 C ATOM 568 CG HIS A 192 0.185 -2.621 -10.636 1.00 0.00 C ATOM 569 ND1 HIS A 192 -0.568 -3.071 -11.701 1.00 0.00 N ATOM 570 CD2 HIS A 192 1.252 -3.451 -10.557 1.00 0.00 C ATOM 571 CE1 HIS A 192 0.019 -4.125 -12.240 1.00 0.00 C ATOM 572 NE2 HIS A 192 1.125 -4.376 -11.565 1.00 0.00 N ATOM 0 H HIS A 192 -1.424 -0.243 -8.025 1.00 0.00 H new ATOM 0 HA HIS A 192 -0.060 -2.618 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.274 -1.272 -9.901 1.00 0.00 H new ATOM 0 HB3 HIS A 192 0.296 -0.551 -10.198 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.054 -3.396 -9.836 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.344 -4.686 -13.089 1.00 0.00 H new ATOM 0 HE2 HIS A 192 1.779 -5.134 -11.760 1.00 0.00 H new ATOM 580 N ARG A 193 1.958 0.003 -8.140 1.00 0.00 N ATOM 581 CA ARG A 193 3.323 0.442 -7.885 1.00 0.00 C ATOM 582 C ARG A 193 3.650 0.136 -6.435 1.00 0.00 C ATOM 583 O ARG A 193 4.772 -0.217 -6.089 1.00 0.00 O ATOM 584 CB ARG A 193 3.463 1.943 -8.149 1.00 0.00 C ATOM 585 CG ARG A 193 4.776 2.539 -7.665 1.00 0.00 C ATOM 586 CD ARG A 193 5.581 3.135 -8.805 1.00 0.00 C ATOM 587 NE ARG A 193 5.069 4.439 -9.220 1.00 0.00 N ATOM 588 CZ ARG A 193 4.269 4.633 -10.267 1.00 0.00 C ATOM 589 NH1 ARG A 193 3.874 3.610 -11.015 1.00 0.00 N ATOM 590 NH2 ARG A 193 3.860 5.858 -10.567 1.00 0.00 N ATOM 0 H ARG A 193 1.305 0.757 -8.352 1.00 0.00 H new ATOM 0 HA ARG A 193 4.012 -0.080 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.367 2.123 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.639 2.465 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 193 4.573 3.310 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 193 5.365 1.767 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 193 6.622 3.236 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 193 5.564 2.453 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 193 5.342 5.255 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 193 4.183 2.664 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 193 3.261 3.770 -11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 193 4.158 6.649 -9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 193 3.247 6.009 -11.368 1.00 0.00 H new ATOM 604 N ALA A 194 2.622 0.272 -5.605 1.00 0.00 N ATOM 605 CA ALA A 194 2.718 0.006 -4.178 1.00 0.00 C ATOM 606 C ALA A 194 3.240 -1.398 -3.911 1.00 0.00 C ATOM 607 O ALA A 194 3.956 -1.628 -2.936 1.00 0.00 O ATOM 608 CB ALA A 194 1.348 0.170 -3.536 1.00 0.00 C ATOM 0 H ALA A 194 1.695 0.571 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 194 3.420 0.719 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.421 -0.030 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.993 1.189 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.648 -0.532 -3.989 1.00 0.00 H new ATOM 614 N VAL A 195 2.867 -2.339 -4.773 1.00 0.00 N ATOM 615 CA VAL A 195 3.290 -3.717 -4.609 1.00 0.00 C ATOM 616 C VAL A 195 4.587 -3.981 -5.326 1.00 0.00 C ATOM 617 O VAL A 195 5.452 -4.693 -4.824 1.00 0.00 O ATOM 618 CB VAL A 195 2.203 -4.700 -5.052 1.00 0.00 C ATOM 619 CG1 VAL A 195 1.918 -4.599 -6.527 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.565 -6.122 -4.654 1.00 0.00 C ATOM 0 H VAL A 195 2.276 -2.169 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 195 3.460 -3.877 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 195 1.284 -4.426 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 195 1.141 -5.314 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.581 -3.590 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 195 2.826 -4.820 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.778 -6.802 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.506 -6.404 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.671 -6.181 -3.571 1.00 0.00 H new ATOM 630 N GLU A 196 4.765 -3.330 -6.450 1.00 0.00 N ATOM 631 CA GLU A 196 6.033 -3.432 -7.149 1.00 0.00 C ATOM 632 C GLU A 196 7.073 -2.885 -6.183 1.00 0.00 C ATOM 633 O GLU A 196 8.259 -3.213 -6.243 1.00 0.00 O ATOM 634 CB GLU A 196 6.017 -2.633 -8.452 1.00 0.00 C ATOM 635 CG GLU A 196 7.402 -2.264 -8.958 1.00 0.00 C ATOM 636 CD GLU A 196 7.553 -2.480 -10.450 1.00 0.00 C ATOM 637 OE1 GLU A 196 7.424 -3.638 -10.898 1.00 0.00 O ATOM 638 OE2 GLU A 196 7.798 -1.489 -11.170 1.00 0.00 O ATOM 0 H GLU A 196 4.067 -2.735 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 196 6.250 -4.461 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 196 5.503 -3.213 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 196 5.440 -1.721 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 196 7.604 -1.219 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 196 8.148 -2.859 -8.431 1.00 0.00 H new ATOM 645 N TYR A 197 6.562 -2.081 -5.246 1.00 0.00 N ATOM 646 CA TYR A 197 7.342 -1.494 -4.185 1.00 0.00 C ATOM 647 C TYR A 197 7.538 -2.550 -3.121 1.00 0.00 C ATOM 648 O TYR A 197 8.654 -2.818 -2.677 1.00 0.00 O ATOM 649 CB TYR A 197 6.578 -0.307 -3.610 1.00 0.00 C ATOM 650 CG TYR A 197 7.470 0.813 -3.169 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.990 0.849 -1.888 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.782 1.832 -4.047 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.817 1.894 -1.487 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.605 2.883 -3.661 1.00 0.00 C ATOM 655 CZ TYR A 197 9.118 2.904 -2.379 1.00 0.00 C ATOM 656 OH TYR A 197 9.934 3.941 -1.987 1.00 0.00 O ATOM 0 H TYR A 197 5.576 -1.823 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 197 8.309 -1.148 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.881 0.066 -4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.982 -0.644 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.752 0.058 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.380 1.812 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 197 9.220 1.915 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.841 3.675 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 197 10.047 4.568 -2.732 1.00 0.00 H new ATOM 666 N LEU A 198 6.429 -3.187 -2.764 1.00 0.00 N ATOM 667 CA LEU A 198 6.444 -4.270 -1.804 1.00 0.00 C ATOM 668 C LEU A 198 7.594 -5.199 -2.160 1.00 0.00 C ATOM 669 O LEU A 198 8.191 -5.855 -1.307 1.00 0.00 O ATOM 670 CB LEU A 198 5.132 -5.043 -1.915 1.00 0.00 C ATOM 671 CG LEU A 198 4.041 -4.758 -0.874 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.430 -3.635 0.062 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.738 -4.419 -1.567 1.00 0.00 C ATOM 0 H LEU A 198 5.504 -2.965 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 198 6.562 -3.885 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.712 -4.849 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.366 -6.107 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 198 3.917 -5.661 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.629 -3.467 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.344 -3.903 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.598 -2.724 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.970 -4.218 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.877 -3.536 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.428 -5.258 -2.190 1.00 0.00 H new ATOM 685 N LEU A 199 7.873 -5.238 -3.460 1.00 0.00 N ATOM 686 CA LEU A 199 8.921 -6.064 -4.030 1.00 0.00 C ATOM 687 C LEU A 199 10.293 -5.431 -3.826 1.00 0.00 C ATOM 688 O LEU A 199 11.006 -5.765 -2.880 1.00 0.00 O ATOM 689 CB LEU A 199 8.642 -6.245 -5.527 1.00 0.00 C ATOM 690 CG LEU A 199 7.507 -7.214 -5.884 1.00 0.00 C ATOM 691 CD1 LEU A 199 7.986 -8.235 -6.901 1.00 0.00 C ATOM 692 CD2 LEU A 199 6.964 -7.911 -4.645 1.00 0.00 C ATOM 0 H LEU A 199 7.367 -4.687 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 199 8.926 -7.031 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.409 -5.270 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.556 -6.593 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 199 6.695 -6.634 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.170 -8.916 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.313 -7.722 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.819 -8.801 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.161 -8.590 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.763 -8.476 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.578 -7.167 -3.949 1.00 0.00 H new ATOM 704 N THR A 200 10.656 -4.520 -4.723 1.00 0.00 N ATOM 705 CA THR A 200 11.945 -3.838 -4.646 1.00 0.00 C ATOM 706 C THR A 200 12.349 -3.597 -3.197 1.00 0.00 C ATOM 707 O THR A 200 13.383 -4.084 -2.739 1.00 0.00 O ATOM 708 CB THR A 200 11.896 -2.507 -5.399 1.00 0.00 C ATOM 709 OG1 THR A 200 12.536 -1.485 -4.655 1.00 0.00 O ATOM 710 CG2 THR A 200 10.489 -2.038 -5.705 1.00 0.00 C ATOM 0 H THR A 200 10.076 -4.236 -5.513 1.00 0.00 H new ATOM 0 HA THR A 200 12.691 -4.482 -5.112 1.00 0.00 H new ATOM 0 HB THR A 200 12.411 -2.693 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 200 12.495 -0.643 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.530 -1.089 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 200 9.984 -2.781 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.939 -1.906 -4.773 1.00 0.00 H new