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 77:sc= 0.321 USER MOD Set 1.2: A 171 MET CE :methyl -143:sc= -11.6! (180deg=-15.3!) USER MOD Set 2.1: A 166 MET CE :methyl -130:sc= -8.83! (180deg=-13!) USER MOD Set 2.2: A 189 ASN : amide:sc= -1.21 K(o=-10,f=-11!) 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 141:sc= -8.5! (180deg=-11.4!) USER MOD Single : A 175 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 187 SER OG : rot 72:sc= -1.74! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -5.41! C(o=-5.4!,f=-13!) USER MOD Single : A 192 HIS : no HD1:sc= -0.091 X(o=-0.091,f=-0.008) USER MOD Single : A 197 TYR OH : rot -144:sc= -1.27! USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.855 1.473 2.080 1.00 0.00 N ATOM 121 CA GLU A 164 -7.805 0.159 2.700 1.00 0.00 C ATOM 122 C GLU A 164 -8.136 -0.952 1.706 1.00 0.00 C ATOM 123 O GLU A 164 -7.726 -2.096 1.893 1.00 0.00 O ATOM 124 CB GLU A 164 -8.769 0.099 3.888 1.00 0.00 C ATOM 125 CG GLU A 164 -8.205 0.712 5.158 1.00 0.00 C ATOM 126 CD GLU A 164 -8.976 0.299 6.396 1.00 0.00 C ATOM 127 OE1 GLU A 164 -10.026 -0.363 6.249 1.00 0.00 O ATOM 128 OE2 GLU A 164 -8.532 0.637 7.512 1.00 0.00 O ATOM 0 HA GLU A 164 -6.785 0.000 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.692 0.616 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.030 -0.941 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.162 0.415 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.220 1.798 5.071 1.00 0.00 H new ATOM 135 N THR A 165 -8.875 -0.617 0.651 1.00 0.00 N ATOM 136 CA THR A 165 -9.243 -1.606 -0.360 1.00 0.00 C ATOM 137 C THR A 165 -8.085 -1.837 -1.321 1.00 0.00 C ATOM 138 O THR A 165 -7.939 -2.918 -1.898 1.00 0.00 O ATOM 139 CB THR A 165 -10.483 -1.162 -1.135 1.00 0.00 C ATOM 140 OG1 THR A 165 -11.532 -0.811 -0.250 1.00 0.00 O ATOM 141 CG2 THR A 165 -11.007 -2.230 -2.071 1.00 0.00 C ATOM 0 H THR A 165 -9.228 0.323 0.474 1.00 0.00 H new ATOM 0 HA THR A 165 -9.473 -2.540 0.152 1.00 0.00 H new ATOM 0 HB THR A 165 -10.167 -0.302 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 165 -12.315 -0.528 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.888 -1.856 -2.593 1.00 0.00 H new ATOM 0 HG22 THR A 165 -10.236 -2.487 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 165 -11.275 -3.117 -1.497 1.00 0.00 H new ATOM 149 N MET A 166 -7.240 -0.824 -1.455 1.00 0.00 N ATOM 150 CA MET A 166 -6.079 -0.891 -2.287 1.00 0.00 C ATOM 151 C MET A 166 -5.100 -1.815 -1.615 1.00 0.00 C ATOM 152 O MET A 166 -4.417 -2.629 -2.240 1.00 0.00 O ATOM 153 CB MET A 166 -5.508 0.511 -2.389 1.00 0.00 C ATOM 154 CG MET A 166 -4.165 0.559 -3.015 1.00 0.00 C ATOM 155 SD MET A 166 -3.896 2.078 -3.951 1.00 0.00 S ATOM 156 CE MET A 166 -3.876 3.305 -2.645 1.00 0.00 C ATOM 0 H MET A 166 -7.355 0.070 -0.978 1.00 0.00 H new ATOM 0 HA MET A 166 -6.303 -1.262 -3.287 1.00 0.00 H new ATOM 0 HB2 MET A 166 -6.192 1.132 -2.967 1.00 0.00 H new ATOM 0 HB3 MET A 166 -5.450 0.945 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 166 -3.403 0.473 -2.240 1.00 0.00 H new ATOM 0 HG3 MET A 166 -4.045 -0.299 -3.677 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.551 4.121 -2.902 1.00 0.00 H new ATOM 0 HE2 MET A 166 -4.200 2.847 -1.710 1.00 0.00 H new ATOM 0 HE3 MET A 166 -2.865 3.694 -2.527 1.00 0.00 H new ATOM 166 N LEU A 167 -5.094 -1.681 -0.306 1.00 0.00 N ATOM 167 CA LEU A 167 -4.272 -2.482 0.554 1.00 0.00 C ATOM 168 C LEU A 167 -4.726 -3.923 0.497 1.00 0.00 C ATOM 169 O LEU A 167 -3.918 -4.827 0.393 1.00 0.00 O ATOM 170 CB LEU A 167 -4.400 -1.970 1.981 1.00 0.00 C ATOM 171 CG LEU A 167 -4.041 -0.499 2.168 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.812 -0.207 3.652 1.00 0.00 C ATOM 173 CD2 LEU A 167 -2.746 -0.180 1.421 1.00 0.00 C ATOM 0 H LEU A 167 -5.670 -1.001 0.190 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.234 -2.419 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.425 -2.125 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.759 -2.571 2.626 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.860 0.108 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.556 0.845 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.721 -0.430 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -2.996 -0.827 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.496 0.872 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -1.939 -0.799 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -2.879 -0.385 0.359 1.00 0.00 H new ATOM 185 N THR A 168 -6.038 -4.108 0.574 1.00 0.00 N ATOM 186 CA THR A 168 -6.643 -5.431 0.548 1.00 0.00 C ATOM 187 C THR A 168 -6.361 -6.148 -0.763 1.00 0.00 C ATOM 188 O THR A 168 -6.271 -7.372 -0.791 1.00 0.00 O ATOM 189 CB THR A 168 -8.148 -5.328 0.777 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.430 -5.030 2.132 1.00 0.00 O ATOM 191 CG2 THR A 168 -8.884 -6.596 0.423 1.00 0.00 C ATOM 0 H THR A 168 -6.711 -3.346 0.656 1.00 0.00 H new ATOM 0 HA THR A 168 -6.197 -6.016 1.352 1.00 0.00 H new ATOM 0 HB THR A 168 -8.491 -4.528 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 168 -8.263 -4.079 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 168 -9.950 -6.461 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.724 -6.828 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.511 -7.417 1.036 1.00 0.00 H new ATOM 199 N GLU A 169 -6.198 -5.397 -1.841 1.00 0.00 N ATOM 200 CA GLU A 169 -5.888 -6.006 -3.124 1.00 0.00 C ATOM 201 C GLU A 169 -4.446 -6.510 -3.080 1.00 0.00 C ATOM 202 O GLU A 169 -4.173 -7.723 -2.997 1.00 0.00 O ATOM 203 CB GLU A 169 -6.073 -4.988 -4.249 1.00 0.00 C ATOM 204 CG GLU A 169 -7.092 -5.412 -5.294 1.00 0.00 C ATOM 205 CD GLU A 169 -6.484 -6.262 -6.391 1.00 0.00 C ATOM 206 OE1 GLU A 169 -5.642 -7.127 -6.074 1.00 0.00 O ATOM 207 OE2 GLU A 169 -6.850 -6.063 -7.568 1.00 0.00 O ATOM 0 H GLU A 169 -6.274 -4.380 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.562 -6.841 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.382 -4.036 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -5.113 -4.821 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.893 -5.970 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.544 -4.524 -5.736 1.00 0.00 H new ATOM 214 N ILE A 170 -3.523 -5.561 -3.077 1.00 0.00 N ATOM 215 CA ILE A 170 -2.117 -5.886 -2.983 1.00 0.00 C ATOM 216 C ILE A 170 -1.906 -6.841 -1.828 1.00 0.00 C ATOM 217 O ILE A 170 -0.980 -7.651 -1.817 1.00 0.00 O ATOM 218 CB ILE A 170 -1.287 -4.615 -2.798 1.00 0.00 C ATOM 219 CG1 ILE A 170 -1.468 -3.762 -4.043 1.00 0.00 C ATOM 220 CG2 ILE A 170 0.171 -4.956 -2.580 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.410 -2.280 -3.793 1.00 0.00 C ATOM 0 H ILE A 170 -3.726 -4.563 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.790 -6.365 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.621 -4.067 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.696 -4.027 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.428 -4.004 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.744 -4.038 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.271 -5.575 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.550 -5.502 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.548 -1.747 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -2.199 -1.997 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.441 -2.020 -3.368 1.00 0.00 H new ATOM 233 N MET A 171 -2.813 -6.752 -0.871 1.00 0.00 N ATOM 234 CA MET A 171 -2.795 -7.616 0.296 1.00 0.00 C ATOM 235 C MET A 171 -2.908 -9.062 -0.130 1.00 0.00 C ATOM 236 O MET A 171 -1.968 -9.840 -0.012 1.00 0.00 O ATOM 237 CB MET A 171 -3.966 -7.281 1.207 1.00 0.00 C ATOM 238 CG MET A 171 -3.566 -6.481 2.412 1.00 0.00 C ATOM 239 SD MET A 171 -4.794 -6.515 3.724 1.00 0.00 S ATOM 240 CE MET A 171 -5.058 -4.758 3.941 1.00 0.00 C ATOM 0 H MET A 171 -3.581 -6.081 -0.881 1.00 0.00 H new ATOM 0 HA MET A 171 -1.857 -7.461 0.829 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.712 -6.724 0.640 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.440 -8.206 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.621 -6.864 2.797 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.392 -5.447 2.113 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.208 -4.541 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.187 -4.212 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.939 -4.450 3.378 1.00 0.00 H new ATOM 250 N SER A 172 -4.081 -9.407 -0.640 1.00 0.00 N ATOM 251 CA SER A 172 -4.351 -10.757 -1.113 1.00 0.00 C ATOM 252 C SER A 172 -3.083 -11.358 -1.701 1.00 0.00 C ATOM 253 O SER A 172 -2.843 -12.561 -1.599 1.00 0.00 O ATOM 254 CB SER A 172 -5.464 -10.744 -2.163 1.00 0.00 C ATOM 255 OG SER A 172 -5.340 -11.843 -3.050 1.00 0.00 O ATOM 0 H SER A 172 -4.867 -8.765 -0.737 1.00 0.00 H new ATOM 0 HA SER A 172 -4.679 -11.366 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 172 -6.435 -10.779 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.426 -9.812 -2.726 1.00 0.00 H new ATOM 0 HG SER A 172 -6.063 -11.813 -3.711 1.00 0.00 H new ATOM 261 N MET A 173 -2.260 -10.499 -2.302 1.00 0.00 N ATOM 262 CA MET A 173 -1.003 -10.935 -2.885 1.00 0.00 C ATOM 263 C MET A 173 0.110 -10.993 -1.835 1.00 0.00 C ATOM 264 O MET A 173 1.258 -10.653 -2.115 1.00 0.00 O ATOM 265 CB MET A 173 -0.600 -10.003 -4.024 1.00 0.00 C ATOM 266 CG MET A 173 -1.678 -9.013 -4.418 1.00 0.00 C ATOM 267 SD MET A 173 -1.435 -8.338 -6.070 1.00 0.00 S ATOM 268 CE MET A 173 -0.008 -7.293 -5.798 1.00 0.00 C ATOM 0 H MET A 173 -2.446 -9.500 -2.395 1.00 0.00 H new ATOM 0 HA MET A 173 -1.148 -11.941 -3.278 1.00 0.00 H new ATOM 0 HB2 MET A 173 0.295 -9.454 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.335 -10.603 -4.895 1.00 0.00 H new ATOM 0 HG2 MET A 173 -2.650 -9.503 -4.370 1.00 0.00 H new ATOM 0 HG3 MET A 173 -1.697 -8.197 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.661 -7.360 -6.656 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.332 -6.260 -5.670 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.518 -7.622 -4.902 1.00 0.00 H new ATOM 278 N GLY A 174 -0.239 -11.446 -0.632 1.00 0.00 N ATOM 279 CA GLY A 174 0.733 -11.566 0.441 1.00 0.00 C ATOM 280 C GLY A 174 1.417 -10.258 0.808 1.00 0.00 C ATOM 281 O GLY A 174 2.642 -10.211 0.911 1.00 0.00 O ATOM 0 H GLY A 174 -1.185 -11.734 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.235 -11.964 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.492 -12.291 0.149 1.00 0.00 H new ATOM 285 N TYR A 175 0.637 -9.201 1.017 1.00 0.00 N ATOM 286 CA TYR A 175 1.205 -7.906 1.386 1.00 0.00 C ATOM 287 C TYR A 175 0.313 -7.152 2.374 1.00 0.00 C ATOM 288 O TYR A 175 -0.555 -6.374 1.980 1.00 0.00 O ATOM 289 CB TYR A 175 1.440 -7.054 0.146 1.00 0.00 C ATOM 290 CG TYR A 175 2.301 -7.733 -0.900 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.522 -8.293 -0.557 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.892 -7.818 -2.227 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.315 -8.919 -1.499 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.679 -8.443 -3.176 1.00 0.00 C ATOM 295 CZ TYR A 175 3.890 -8.990 -2.807 1.00 0.00 C ATOM 296 OH TYR A 175 4.675 -9.614 -3.749 1.00 0.00 O ATOM 0 H TYR A 175 -0.380 -9.213 0.938 1.00 0.00 H new ATOM 0 HA TYR A 175 2.159 -8.100 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.478 -6.799 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.913 -6.118 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.860 -8.239 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.945 -7.389 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.263 -9.350 -1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.347 -8.503 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 175 4.230 -9.578 -4.621 1.00 0.00 H new ATOM 306 N GLU A 176 0.546 -7.380 3.664 1.00 0.00 N ATOM 307 CA GLU A 176 -0.225 -6.723 4.718 1.00 0.00 C ATOM 308 C GLU A 176 -0.605 -5.298 4.334 1.00 0.00 C ATOM 309 O GLU A 176 0.049 -4.662 3.511 1.00 0.00 O ATOM 310 CB GLU A 176 0.570 -6.715 6.024 1.00 0.00 C ATOM 311 CG GLU A 176 -0.298 -6.553 7.262 1.00 0.00 C ATOM 312 CD GLU A 176 0.503 -6.146 8.483 1.00 0.00 C ATOM 313 OE1 GLU A 176 1.650 -6.621 8.628 1.00 0.00 O ATOM 314 OE2 GLU A 176 -0.017 -5.352 9.296 1.00 0.00 O ATOM 0 H GLU A 176 1.265 -8.017 4.006 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.146 -7.290 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.132 -7.645 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 176 1.298 -5.904 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.065 -5.803 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.813 -7.492 7.466 1.00 0.00 H new ATOM 321 N ARG A 177 -1.680 -4.813 4.946 1.00 0.00 N ATOM 322 CA ARG A 177 -2.189 -3.470 4.692 1.00 0.00 C ATOM 323 C ARG A 177 -1.131 -2.409 4.935 1.00 0.00 C ATOM 324 O ARG A 177 -1.091 -1.391 4.254 1.00 0.00 O ATOM 325 CB ARG A 177 -3.414 -3.216 5.588 1.00 0.00 C ATOM 326 CG ARG A 177 -3.221 -2.204 6.715 1.00 0.00 C ATOM 327 CD ARG A 177 -3.837 -2.711 8.001 1.00 0.00 C ATOM 328 NE ARG A 177 -4.167 -1.629 8.921 1.00 0.00 N ATOM 329 CZ ARG A 177 -3.258 -0.962 9.626 1.00 0.00 C ATOM 330 NH1 ARG A 177 -1.973 -1.267 9.515 1.00 0.00 N ATOM 331 NH2 ARG A 177 -3.636 0.012 10.443 1.00 0.00 N ATOM 0 H ARG A 177 -2.222 -5.339 5.631 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.475 -3.405 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.236 -2.876 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.721 -4.165 6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -2.158 -2.017 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.676 -1.253 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -4.740 -3.277 7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -3.145 -3.399 8.486 1.00 0.00 H new ATOM 0 HE ARG A 177 -5.148 -1.370 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -1.679 -2.015 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -1.278 -0.753 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -4.624 0.249 10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -2.939 0.524 10.984 1.00 0.00 H new ATOM 345 N GLU A 178 -0.318 -2.626 5.952 1.00 0.00 N ATOM 346 CA GLU A 178 0.698 -1.650 6.325 1.00 0.00 C ATOM 347 C GLU A 178 1.893 -1.621 5.375 1.00 0.00 C ATOM 348 O GLU A 178 2.514 -0.575 5.197 1.00 0.00 O ATOM 349 CB GLU A 178 1.175 -1.899 7.756 1.00 0.00 C ATOM 350 CG GLU A 178 2.450 -1.154 8.111 1.00 0.00 C ATOM 351 CD GLU A 178 2.305 0.349 7.974 1.00 0.00 C ATOM 352 OE1 GLU A 178 1.698 0.796 6.977 1.00 0.00 O ATOM 353 OE2 GLU A 178 2.796 1.078 8.860 1.00 0.00 O ATOM 0 H GLU A 178 -0.338 -3.463 6.534 1.00 0.00 H new ATOM 0 HA GLU A 178 0.220 -0.673 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.387 -1.604 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 178 1.338 -2.968 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 178 2.735 -1.396 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 178 3.259 -1.498 7.466 1.00 0.00 H new ATOM 360 N ARG A 179 2.229 -2.754 4.782 1.00 0.00 N ATOM 361 CA ARG A 179 3.359 -2.815 3.878 1.00 0.00 C ATOM 362 C ARG A 179 3.058 -2.109 2.570 1.00 0.00 C ATOM 363 O ARG A 179 3.923 -1.467 1.971 1.00 0.00 O ATOM 364 CB ARG A 179 3.705 -4.270 3.600 1.00 0.00 C ATOM 365 CG ARG A 179 4.341 -4.986 4.779 1.00 0.00 C ATOM 366 CD ARG A 179 4.658 -6.436 4.448 1.00 0.00 C ATOM 367 NE ARG A 179 5.774 -6.946 5.239 1.00 0.00 N ATOM 368 CZ ARG A 179 6.180 -8.212 5.206 1.00 0.00 C ATOM 369 NH1 ARG A 179 5.564 -9.089 4.426 1.00 0.00 N ATOM 370 NH2 ARG A 179 7.202 -8.602 5.955 1.00 0.00 N ATOM 0 H ARG A 179 1.737 -3.638 4.911 1.00 0.00 H new ATOM 0 HA ARG A 179 4.202 -2.311 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.798 -4.801 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.385 -4.316 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.256 -4.470 5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 179 3.668 -4.946 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 179 3.776 -7.050 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 179 4.896 -6.522 3.388 1.00 0.00 H new ATOM 0 HE ARG A 179 6.269 -6.296 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 179 4.776 -8.794 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 179 5.878 -10.059 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 179 7.678 -7.931 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 179 7.512 -9.573 5.929 1.00 0.00 H new ATOM 384 N VAL A 180 1.829 -2.237 2.141 1.00 0.00 N ATOM 385 CA VAL A 180 1.385 -1.635 0.895 1.00 0.00 C ATOM 386 C VAL A 180 0.981 -0.199 1.100 1.00 0.00 C ATOM 387 O VAL A 180 1.320 0.647 0.285 1.00 0.00 O ATOM 388 CB VAL A 180 0.275 -2.486 0.236 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.386 -3.381 1.263 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.742 -1.634 -0.495 1.00 0.00 C ATOM 0 H VAL A 180 1.105 -2.757 2.637 1.00 0.00 H new ATOM 0 HA VAL A 180 2.222 -1.622 0.197 1.00 0.00 H new ATOM 0 HB VAL A 180 0.747 -3.117 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.165 -3.973 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.359 -4.047 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.829 -2.768 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.501 -2.276 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.214 -0.948 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.243 -1.064 -1.279 1.00 0.00 H new ATOM 400 N VAL A 181 0.306 0.091 2.197 1.00 0.00 N ATOM 401 CA VAL A 181 -0.078 1.460 2.485 1.00 0.00 C ATOM 402 C VAL A 181 1.171 2.283 2.700 1.00 0.00 C ATOM 403 O VAL A 181 1.282 3.411 2.231 1.00 0.00 O ATOM 404 CB VAL A 181 -1.011 1.560 3.703 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.239 1.823 4.986 1.00 0.00 C ATOM 406 CG2 VAL A 181 -2.028 2.645 3.494 1.00 0.00 C ATOM 0 H VAL A 181 0.015 -0.593 2.895 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.638 1.846 1.634 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.517 0.600 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.935 1.887 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.465 1.009 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.307 2.762 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.681 2.704 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.519 3.599 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.623 2.421 2.609 1.00 0.00 H new ATOM 416 N ALA A 182 2.130 1.677 3.372 1.00 0.00 N ATOM 417 CA ALA A 182 3.411 2.317 3.599 1.00 0.00 C ATOM 418 C ALA A 182 4.126 2.355 2.267 1.00 0.00 C ATOM 419 O ALA A 182 4.923 3.252 1.994 1.00 0.00 O ATOM 420 CB ALA A 182 4.233 1.551 4.650 1.00 0.00 C ATOM 0 H ALA A 182 2.047 0.742 3.771 1.00 0.00 H new ATOM 0 HA ALA A 182 3.275 3.325 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.189 2.053 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.685 1.524 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.409 0.533 4.303 1.00 0.00 H new ATOM 426 N ALA A 183 3.779 1.393 1.414 1.00 0.00 N ATOM 427 CA ALA A 183 4.334 1.339 0.081 1.00 0.00 C ATOM 428 C ALA A 183 3.582 2.322 -0.799 1.00 0.00 C ATOM 429 O ALA A 183 4.057 2.707 -1.865 1.00 0.00 O ATOM 430 CB ALA A 183 4.256 -0.064 -0.485 1.00 0.00 C ATOM 0 H ALA A 183 3.118 0.647 1.630 1.00 0.00 H new ATOM 0 HA ALA A 183 5.389 1.613 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.681 -0.075 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.817 -0.746 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 183 3.214 -0.382 -0.528 1.00 0.00 H new ATOM 436 N LEU A 184 2.421 2.765 -0.310 1.00 0.00 N ATOM 437 CA LEU A 184 1.631 3.751 -1.018 1.00 0.00 C ATOM 438 C LEU A 184 2.302 5.084 -0.791 1.00 0.00 C ATOM 439 O LEU A 184 2.571 5.817 -1.723 1.00 0.00 O ATOM 440 CB LEU A 184 0.176 3.790 -0.518 1.00 0.00 C ATOM 441 CG LEU A 184 -0.671 2.542 -0.814 1.00 0.00 C ATOM 442 CD1 LEU A 184 -1.990 2.584 -0.067 1.00 0.00 C ATOM 443 CD2 LEU A 184 -0.934 2.411 -2.301 1.00 0.00 C ATOM 0 H LEU A 184 2.016 2.452 0.572 1.00 0.00 H new ATOM 0 HA LEU A 184 1.582 3.501 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.187 3.950 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.317 4.654 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.105 1.675 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.567 1.688 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.800 2.628 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.553 3.466 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.535 1.521 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.470 3.292 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.014 2.326 -2.832 1.00 0.00 H new ATOM 455 N ARG A 185 2.635 5.359 0.460 1.00 0.00 N ATOM 456 CA ARG A 185 3.339 6.582 0.793 1.00 0.00 C ATOM 457 C ARG A 185 4.680 6.558 0.085 1.00 0.00 C ATOM 458 O ARG A 185 5.219 7.596 -0.300 1.00 0.00 O ATOM 459 CB ARG A 185 3.542 6.706 2.304 1.00 0.00 C ATOM 460 CG ARG A 185 2.512 5.950 3.125 1.00 0.00 C ATOM 461 CD ARG A 185 2.598 6.321 4.595 1.00 0.00 C ATOM 462 NE ARG A 185 2.022 5.291 5.455 1.00 0.00 N ATOM 463 CZ ARG A 185 2.724 4.304 6.007 1.00 0.00 C ATOM 464 NH1 ARG A 185 4.030 4.202 5.784 1.00 0.00 N ATOM 465 NH2 ARG A 185 2.120 3.414 6.781 1.00 0.00 N ATOM 0 H ARG A 185 2.430 4.755 1.256 1.00 0.00 H new ATOM 0 HA ARG A 185 2.752 7.442 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.536 6.339 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.511 7.760 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.512 6.170 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.667 4.877 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.641 6.479 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 185 2.078 7.264 4.762 1.00 0.00 H new ATOM 0 HE ARG A 185 1.020 5.330 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 185 4.500 4.882 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 185 4.562 3.443 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 185 1.117 3.485 6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 185 2.658 2.658 7.204 1.00 0.00 H new ATOM 479 N ALA A 186 5.206 5.348 -0.091 1.00 0.00 N ATOM 480 CA ALA A 186 6.482 5.162 -0.767 1.00 0.00 C ATOM 481 C ALA A 186 6.290 5.021 -2.278 1.00 0.00 C ATOM 482 O ALA A 186 7.254 5.093 -3.041 1.00 0.00 O ATOM 483 CB ALA A 186 7.197 3.943 -0.208 1.00 0.00 C ATOM 0 H ALA A 186 4.767 4.484 0.226 1.00 0.00 H new ATOM 0 HA ALA A 186 7.095 6.046 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.150 3.813 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.375 4.083 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.580 3.058 -0.360 1.00 0.00 H new ATOM 489 N SER A 187 5.043 4.817 -2.704 1.00 0.00 N ATOM 490 CA SER A 187 4.735 4.660 -4.124 1.00 0.00 C ATOM 491 C SER A 187 3.851 5.801 -4.646 1.00 0.00 C ATOM 492 O SER A 187 3.468 5.804 -5.810 1.00 0.00 O ATOM 493 CB SER A 187 4.042 3.322 -4.381 1.00 0.00 C ATOM 494 OG SER A 187 4.869 2.235 -4.000 1.00 0.00 O ATOM 0 H SER A 187 4.233 4.757 -2.087 1.00 0.00 H new ATOM 0 HA SER A 187 5.683 4.688 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.105 3.282 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.789 3.237 -5.438 1.00 0.00 H new ATOM 0 HG SER A 187 4.924 2.193 -3.022 1.00 0.00 H new ATOM 500 N TYR A 188 3.542 6.766 -3.778 1.00 0.00 N ATOM 501 CA TYR A 188 2.707 7.919 -4.153 1.00 0.00 C ATOM 502 C TYR A 188 1.229 7.537 -4.312 1.00 0.00 C ATOM 503 O TYR A 188 0.621 7.809 -5.346 1.00 0.00 O ATOM 504 CB TYR A 188 3.217 8.535 -5.458 1.00 0.00 C ATOM 505 CG TYR A 188 4.671 8.961 -5.400 1.00 0.00 C ATOM 506 CD1 TYR A 188 5.319 9.136 -4.180 1.00 0.00 C ATOM 507 CD2 TYR A 188 5.399 9.189 -6.562 1.00 0.00 C ATOM 508 CE1 TYR A 188 6.645 9.525 -4.126 1.00 0.00 C ATOM 509 CE2 TYR A 188 6.724 9.579 -6.513 1.00 0.00 C ATOM 510 CZ TYR A 188 7.341 9.745 -5.293 1.00 0.00 C ATOM 511 OH TYR A 188 8.661 10.131 -5.240 1.00 0.00 O ATOM 0 H TYR A 188 3.856 6.776 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 188 2.779 8.645 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 188 3.090 7.813 -6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.603 9.401 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 188 4.777 8.965 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 188 4.920 9.059 -7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 188 7.133 9.656 -3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 188 7.273 9.753 -7.427 1.00 0.00 H new ATOM 0 HH TYR A 188 9.006 10.243 -6.150 1.00 0.00 H new ATOM 521 N ASN A 189 0.652 6.914 -3.282 1.00 0.00 N ATOM 522 CA ASN A 189 -0.752 6.497 -3.287 1.00 0.00 C ATOM 523 C ASN A 189 -1.047 5.391 -4.294 1.00 0.00 C ATOM 524 O ASN A 189 -2.089 4.739 -4.212 1.00 0.00 O ATOM 525 CB ASN A 189 -1.654 7.686 -3.568 1.00 0.00 C ATOM 526 CG ASN A 189 -3.120 7.356 -3.388 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.702 6.600 -4.167 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.724 7.925 -2.359 1.00 0.00 N ATOM 0 H ASN A 189 1.146 6.684 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 189 -0.954 6.094 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.385 8.507 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -1.485 8.033 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.713 7.744 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.201 8.545 -1.740 1.00 0.00 H new ATOM 535 N ASN A 190 -0.150 5.177 -5.241 1.00 0.00 N ATOM 536 CA ASN A 190 -0.357 4.148 -6.238 1.00 0.00 C ATOM 537 C ASN A 190 -0.381 2.778 -5.586 1.00 0.00 C ATOM 538 O ASN A 190 0.260 2.560 -4.563 1.00 0.00 O ATOM 539 CB ASN A 190 0.728 4.172 -7.299 1.00 0.00 C ATOM 540 CG ASN A 190 1.095 5.573 -7.741 1.00 0.00 C ATOM 541 OD1 ASN A 190 1.580 6.392 -6.965 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.854 5.846 -9.006 1.00 0.00 N ATOM 0 H ASN A 190 0.721 5.699 -5.338 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.316 4.349 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.617 3.675 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.394 3.600 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 190 1.071 6.770 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 190 0.450 5.133 -9.614 1.00 0.00 H new ATOM 549 N PRO A 191 -1.133 1.842 -6.170 1.00 0.00 N ATOM 550 CA PRO A 191 -1.286 0.483 -5.681 1.00 0.00 C ATOM 551 C PRO A 191 -0.348 -0.479 -6.377 1.00 0.00 C ATOM 552 O PRO A 191 0.561 -1.034 -5.770 1.00 0.00 O ATOM 553 CB PRO A 191 -2.710 0.139 -6.085 1.00 0.00 C ATOM 554 CG PRO A 191 -3.167 1.269 -6.966 1.00 0.00 C ATOM 555 CD PRO A 191 -1.927 2.018 -7.364 1.00 0.00 C ATOM 0 HA PRO A 191 -1.073 0.409 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -2.747 -0.812 -6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.352 0.040 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -3.692 0.891 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -3.862 1.920 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.450 1.594 -8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.126 3.067 -7.581 1.00 0.00 H new ATOM 563 N HIS A 192 -0.594 -0.676 -7.669 1.00 0.00 N ATOM 564 CA HIS A 192 0.223 -1.565 -8.468 1.00 0.00 C ATOM 565 C HIS A 192 1.687 -1.265 -8.207 1.00 0.00 C ATOM 566 O HIS A 192 2.486 -2.167 -7.972 1.00 0.00 O ATOM 567 CB HIS A 192 -0.101 -1.392 -9.951 1.00 0.00 C ATOM 568 CG HIS A 192 0.343 -2.540 -10.800 1.00 0.00 C ATOM 569 ND1 HIS A 192 -0.512 -3.244 -11.622 1.00 0.00 N ATOM 570 CD2 HIS A 192 1.563 -3.110 -10.954 1.00 0.00 C ATOM 571 CE1 HIS A 192 0.163 -4.196 -12.245 1.00 0.00 C ATOM 572 NE2 HIS A 192 1.422 -4.134 -11.857 1.00 0.00 N ATOM 0 H HIS A 192 -1.355 -0.228 -8.180 1.00 0.00 H new ATOM 0 HA HIS A 192 0.012 -2.598 -8.192 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.177 -1.261 -10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 192 0.372 -0.479 -10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.476 -2.814 -10.459 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.247 -4.903 -12.951 1.00 0.00 H new ATOM 0 HE2 HIS A 192 2.171 -4.748 -12.177 1.00 0.00 H new ATOM 580 N ARG A 193 2.021 0.025 -8.210 1.00 0.00 N ATOM 581 CA ARG A 193 3.379 0.460 -7.925 1.00 0.00 C ATOM 582 C ARG A 193 3.677 0.143 -6.472 1.00 0.00 C ATOM 583 O ARG A 193 4.794 -0.211 -6.107 1.00 0.00 O ATOM 584 CB ARG A 193 3.524 1.961 -8.178 1.00 0.00 C ATOM 585 CG ARG A 193 4.787 2.568 -7.587 1.00 0.00 C ATOM 586 CD ARG A 193 5.828 2.848 -8.660 1.00 0.00 C ATOM 587 NE ARG A 193 5.871 1.796 -9.671 1.00 0.00 N ATOM 588 CZ ARG A 193 6.439 1.942 -10.861 1.00 0.00 C ATOM 589 NH1 ARG A 193 7.011 3.093 -11.187 1.00 0.00 N ATOM 590 NH2 ARG A 193 6.436 0.938 -11.727 1.00 0.00 N ATOM 0 H ARG A 193 1.367 0.783 -8.407 1.00 0.00 H new ATOM 0 HA ARG A 193 4.082 -0.058 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.515 2.140 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.657 2.475 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 193 4.538 3.495 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 193 5.204 1.889 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 193 5.607 3.802 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 193 6.810 2.945 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 193 5.440 0.898 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 193 7.015 3.867 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 193 7.448 3.204 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 193 5.997 0.052 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 193 6.873 1.052 -12.641 1.00 0.00 H new ATOM 604 N ALA A 194 2.633 0.270 -5.660 1.00 0.00 N ATOM 605 CA ALA A 194 2.701 -0.004 -4.231 1.00 0.00 C ATOM 606 C ALA A 194 3.225 -1.407 -3.958 1.00 0.00 C ATOM 607 O ALA A 194 3.943 -1.633 -2.985 1.00 0.00 O ATOM 608 CB ALA A 194 1.315 0.142 -3.620 1.00 0.00 C ATOM 0 H ALA A 194 1.711 0.568 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 194 3.389 0.712 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.365 -0.063 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.953 1.158 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.633 -0.564 -4.093 1.00 0.00 H new ATOM 614 N VAL A 195 2.839 -2.352 -4.807 1.00 0.00 N ATOM 615 CA VAL A 195 3.249 -3.732 -4.639 1.00 0.00 C ATOM 616 C VAL A 195 4.547 -4.008 -5.351 1.00 0.00 C ATOM 617 O VAL A 195 5.401 -4.731 -4.848 1.00 0.00 O ATOM 618 CB VAL A 195 2.146 -4.694 -5.091 1.00 0.00 C ATOM 619 CG1 VAL A 195 1.818 -4.535 -6.546 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.507 -6.132 -4.755 1.00 0.00 C ATOM 0 H VAL A 195 2.243 -2.183 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 195 3.419 -3.901 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 195 1.244 -4.435 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 195 1.031 -5.238 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.477 -3.517 -6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 195 2.707 -4.735 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.708 -6.795 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.435 -6.402 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.638 -6.232 -3.678 1.00 0.00 H new ATOM 630 N GLU A 196 4.737 -3.357 -6.471 1.00 0.00 N ATOM 631 CA GLU A 196 6.008 -3.470 -7.164 1.00 0.00 C ATOM 632 C GLU A 196 7.048 -2.914 -6.201 1.00 0.00 C ATOM 633 O GLU A 196 8.235 -3.241 -6.256 1.00 0.00 O ATOM 634 CB GLU A 196 6.000 -2.683 -8.476 1.00 0.00 C ATOM 635 CG GLU A 196 7.330 -2.707 -9.208 1.00 0.00 C ATOM 636 CD GLU A 196 8.398 -1.893 -8.503 1.00 0.00 C ATOM 637 OE1 GLU A 196 8.051 -0.856 -7.899 1.00 0.00 O ATOM 638 OE2 GLU A 196 9.582 -2.291 -8.556 1.00 0.00 O ATOM 0 H GLU A 196 4.048 -2.754 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 196 6.221 -4.504 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 196 5.228 -3.090 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 196 5.728 -1.648 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 196 7.669 -3.738 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 196 7.192 -2.321 -10.218 1.00 0.00 H new ATOM 645 N TYR A 197 6.535 -2.101 -5.271 1.00 0.00 N ATOM 646 CA TYR A 197 7.313 -1.501 -4.214 1.00 0.00 C ATOM 647 C TYR A 197 7.510 -2.545 -3.135 1.00 0.00 C ATOM 648 O TYR A 197 8.614 -2.764 -2.641 1.00 0.00 O ATOM 649 CB TYR A 197 6.549 -0.305 -3.656 1.00 0.00 C ATOM 650 CG TYR A 197 7.430 0.748 -3.054 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.954 0.599 -1.780 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.733 1.892 -3.770 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.769 1.583 -1.228 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.546 2.880 -3.231 1.00 0.00 C ATOM 655 CZ TYR A 197 9.057 2.718 -1.961 1.00 0.00 C ATOM 656 OH TYR A 197 9.865 3.693 -1.421 1.00 0.00 O ATOM 0 H TYR A 197 5.548 -1.845 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 197 8.281 -1.160 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.958 0.142 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.847 -0.655 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.728 -0.290 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.331 2.019 -4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 197 9.173 1.460 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.776 3.768 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 197 9.550 4.575 -1.708 1.00 0.00 H new ATOM 666 N LEU A 198 6.412 -3.226 -2.822 1.00 0.00 N ATOM 667 CA LEU A 198 6.419 -4.304 -1.852 1.00 0.00 C ATOM 668 C LEU A 198 7.559 -5.250 -2.206 1.00 0.00 C ATOM 669 O LEU A 198 8.156 -5.902 -1.350 1.00 0.00 O ATOM 670 CB LEU A 198 5.098 -5.065 -1.949 1.00 0.00 C ATOM 671 CG LEU A 198 4.021 -4.757 -0.900 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.427 -3.623 0.010 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.713 -4.423 -1.584 1.00 0.00 C ATOM 0 H LEU A 198 5.497 -3.043 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 198 6.546 -3.911 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.672 -4.874 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.320 -6.131 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 198 3.898 -5.648 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.636 -3.439 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.346 -3.887 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.593 -2.723 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.954 -4.206 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.849 -3.551 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.392 -5.271 -2.189 1.00 0.00 H new ATOM 685 N LEU A 199 7.830 -5.306 -3.506 1.00 0.00 N ATOM 686 CA LEU A 199 8.867 -6.148 -4.074 1.00 0.00 C ATOM 687 C LEU A 199 10.254 -5.560 -3.837 1.00 0.00 C ATOM 688 O LEU A 199 10.968 -5.975 -2.926 1.00 0.00 O ATOM 689 CB LEU A 199 8.610 -6.288 -5.579 1.00 0.00 C ATOM 690 CG LEU A 199 7.508 -7.280 -5.978 1.00 0.00 C ATOM 691 CD1 LEU A 199 8.026 -8.249 -7.024 1.00 0.00 C ATOM 692 CD2 LEU A 199 6.979 -8.037 -4.768 1.00 0.00 C ATOM 0 H LEU A 199 7.325 -4.757 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 199 8.836 -7.124 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.351 -5.307 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.539 -6.593 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 199 6.681 -6.711 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.234 -8.947 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.343 -7.695 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.873 -8.803 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.200 -8.731 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.793 -8.593 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.564 -7.330 -4.049 1.00 0.00 H new ATOM 704 N THR A 200 10.622 -4.594 -4.673 1.00 0.00 N ATOM 705 CA THR A 200 11.926 -3.941 -4.573 1.00 0.00 C ATOM 706 C THR A 200 12.388 -3.850 -3.120 1.00 0.00 C ATOM 707 O THR A 200 13.584 -3.916 -2.835 1.00 0.00 O ATOM 708 CB THR A 200 11.872 -2.540 -5.188 1.00 0.00 C ATOM 709 OG1 THR A 200 12.516 -1.597 -4.351 1.00 0.00 O ATOM 710 CG2 THR A 200 10.461 -2.044 -5.434 1.00 0.00 C ATOM 0 H THR A 200 10.035 -4.244 -5.430 1.00 0.00 H new ATOM 0 HA THR A 200 12.644 -4.547 -5.126 1.00 0.00 H new ATOM 0 HB THR A 200 12.381 -2.630 -6.148 1.00 0.00 H new ATOM 0 HG1 THR A 200 12.471 -0.709 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.497 -1.046 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 200 9.951 -2.722 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.918 -2.007 -4.489 1.00 0.00 H new