USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 416 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 Single : A 25 THR OG1 : rot -21:sc= 0.238 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 29 THR OG1 : rot 72:sc= 0.802 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0.354 (180deg=0.231) USER MOD Single : A 39 ASN : amide:sc= 0.195 X(o=0.2,f=-0.18) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 150:sc= -0.176 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.26) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 60 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.91) USER MOD Single : A 62 LYS NZ :NH3+ -128:sc= -0.156 (180deg=-0.712) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.363 -2.534 -9.145 1.00 0.00 N ATOM 156 CA THR A 25 3.093 -2.338 -10.551 1.00 0.00 C ATOM 157 C THR A 25 1.713 -1.721 -10.739 1.00 0.00 C ATOM 158 O THR A 25 0.914 -1.676 -9.796 1.00 0.00 O ATOM 159 CB THR A 25 3.178 -3.668 -11.320 1.00 0.00 C ATOM 160 OG1 THR A 25 2.429 -4.673 -10.626 1.00 0.00 O ATOM 161 CG2 THR A 25 4.623 -4.122 -11.471 1.00 0.00 C ATOM 0 HA THR A 25 3.849 -1.661 -10.949 1.00 0.00 H new ATOM 0 HB THR A 25 2.760 -3.516 -12.315 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.319 -4.410 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.653 -5.064 -12.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.186 -3.366 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.066 -4.261 -10.485 1.00 0.00 H new ATOM 169 N LYS A 26 1.437 -1.239 -11.943 1.00 0.00 N ATOM 170 CA LYS A 26 0.148 -0.628 -12.245 1.00 0.00 C ATOM 171 C LYS A 26 -0.996 -1.580 -11.919 1.00 0.00 C ATOM 172 O LYS A 26 -1.970 -1.183 -11.289 1.00 0.00 O ATOM 173 CB LYS A 26 0.068 -0.187 -13.715 1.00 0.00 C ATOM 174 CG LYS A 26 0.803 -1.104 -14.677 1.00 0.00 C ATOM 175 CD LYS A 26 0.715 -0.595 -16.108 1.00 0.00 C ATOM 176 CE LYS A 26 1.985 -0.893 -16.888 1.00 0.00 C ATOM 177 NZ LYS A 26 3.086 0.044 -16.537 1.00 0.00 N ATOM 0 H LYS A 26 2.088 -1.259 -12.728 1.00 0.00 H new ATOM 0 HA LYS A 26 0.053 0.258 -11.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.980 -0.132 -14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.477 0.819 -13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.849 -1.181 -14.381 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.381 -2.107 -14.620 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.136 -1.058 -16.607 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.535 0.480 -16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.302 -1.916 -16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.779 -0.826 -17.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.934 -0.193 -17.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.794 1.019 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.301 -0.037 -15.523 1.00 0.00 H new ATOM 191 N TYR A 27 -0.857 -2.842 -12.316 1.00 0.00 N ATOM 192 CA TYR A 27 -1.890 -3.838 -12.061 1.00 0.00 C ATOM 193 C TYR A 27 -2.157 -3.983 -10.566 1.00 0.00 C ATOM 194 O TYR A 27 -3.311 -4.068 -10.139 1.00 0.00 O ATOM 195 CB TYR A 27 -1.490 -5.189 -12.649 1.00 0.00 C ATOM 196 CG TYR A 27 -2.653 -6.139 -12.805 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.412 -6.153 -13.968 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.996 -7.015 -11.786 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.482 -7.013 -14.108 1.00 0.00 C ATOM 200 CE2 TYR A 27 -4.062 -7.880 -11.920 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.803 -7.875 -13.082 1.00 0.00 C ATOM 202 OH TYR A 27 -5.869 -8.733 -13.214 1.00 0.00 O ATOM 0 H TYR A 27 -0.041 -3.197 -12.814 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.806 -3.497 -12.544 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.026 -5.031 -13.622 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.738 -5.648 -12.008 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.161 -5.481 -14.775 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.419 -7.020 -10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.065 -7.010 -15.017 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.315 -8.558 -11.118 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.957 -9.273 -12.401 1.00 0.00 H new ATOM 212 N GLN A 28 -1.086 -4.012 -9.780 1.00 0.00 N ATOM 213 CA GLN A 28 -1.199 -4.143 -8.332 1.00 0.00 C ATOM 214 C GLN A 28 -1.884 -2.917 -7.743 1.00 0.00 C ATOM 215 O GLN A 28 -2.860 -3.033 -7.003 1.00 0.00 O ATOM 216 CB GLN A 28 0.182 -4.319 -7.693 1.00 0.00 C ATOM 217 CG GLN A 28 0.131 -4.468 -6.180 1.00 0.00 C ATOM 218 CD GLN A 28 1.498 -4.647 -5.549 1.00 0.00 C ATOM 219 OE1 GLN A 28 1.751 -4.156 -4.453 1.00 0.00 O ATOM 220 NE2 GLN A 28 2.385 -5.359 -6.227 1.00 0.00 N ATOM 0 H GLN A 28 -0.128 -3.946 -10.123 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.799 -5.027 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.663 -5.198 -8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.804 -3.460 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.347 -3.587 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.493 -5.325 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.137 -5.751 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.316 -5.515 -5.841 1.00 0.00 H new ATOM 229 N THR A 29 -1.368 -1.745 -8.087 1.00 0.00 N ATOM 230 CA THR A 29 -1.921 -0.489 -7.599 1.00 0.00 C ATOM 231 C THR A 29 -3.397 -0.355 -7.974 1.00 0.00 C ATOM 232 O THR A 29 -4.222 0.033 -7.148 1.00 0.00 O ATOM 233 CB THR A 29 -1.132 0.718 -8.144 1.00 0.00 C ATOM 234 OG1 THR A 29 0.271 0.412 -8.163 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.371 1.953 -7.287 1.00 0.00 C ATOM 0 H THR A 29 -0.564 -1.638 -8.705 1.00 0.00 H new ATOM 0 HA THR A 29 -1.835 -0.499 -6.512 1.00 0.00 H new ATOM 0 HB THR A 29 -1.477 0.925 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.456 -0.233 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.804 2.792 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.433 2.198 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.047 1.755 -6.265 1.00 0.00 H new ATOM 243 N LEU A 30 -3.726 -0.713 -9.214 1.00 0.00 N ATOM 244 CA LEU A 30 -5.101 -0.646 -9.697 1.00 0.00 C ATOM 245 C LEU A 30 -6.003 -1.564 -8.880 1.00 0.00 C ATOM 246 O LEU A 30 -7.169 -1.255 -8.642 1.00 0.00 O ATOM 247 CB LEU A 30 -5.167 -1.030 -11.178 1.00 0.00 C ATOM 248 CG LEU A 30 -4.640 0.027 -12.150 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.335 -0.601 -13.498 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.641 1.162 -12.304 1.00 0.00 C ATOM 0 H LEU A 30 -3.055 -1.053 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.452 0.380 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.600 -1.949 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.203 -1.251 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.717 0.440 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.961 0.163 -14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.581 -1.378 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.244 -1.040 -13.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.247 1.903 -12.999 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.582 0.768 -12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.813 1.630 -11.335 1.00 0.00 H new ATOM 262 N GLU A 31 -5.464 -2.699 -8.461 1.00 0.00 N ATOM 263 CA GLU A 31 -6.221 -3.647 -7.661 1.00 0.00 C ATOM 264 C GLU A 31 -6.466 -3.064 -6.275 1.00 0.00 C ATOM 265 O GLU A 31 -7.588 -3.087 -5.762 1.00 0.00 O ATOM 266 CB GLU A 31 -5.465 -4.970 -7.550 1.00 0.00 C ATOM 267 CG GLU A 31 -6.292 -6.093 -6.954 1.00 0.00 C ATOM 268 CD GLU A 31 -7.300 -6.653 -7.934 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.323 -5.985 -8.193 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.074 -7.766 -8.451 1.00 0.00 O ATOM 0 H GLU A 31 -4.506 -2.985 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.179 -3.836 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.123 -5.268 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.576 -4.821 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.629 -6.892 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.814 -5.726 -6.070 1.00 0.00 H new ATOM 277 N LEU A 32 -5.403 -2.527 -5.686 1.00 0.00 N ATOM 278 CA LEU A 32 -5.468 -1.913 -4.367 1.00 0.00 C ATOM 279 C LEU A 32 -6.471 -0.766 -4.362 1.00 0.00 C ATOM 280 O LEU A 32 -7.299 -0.651 -3.459 1.00 0.00 O ATOM 281 CB LEU A 32 -4.085 -1.391 -3.966 1.00 0.00 C ATOM 282 CG LEU A 32 -3.176 -2.380 -3.232 1.00 0.00 C ATOM 283 CD1 LEU A 32 -3.605 -2.533 -1.783 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.167 -3.732 -3.923 1.00 0.00 C ATOM 0 H LEU A 32 -4.475 -2.506 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.792 -2.666 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.571 -1.057 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.220 -0.515 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.163 -1.978 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.945 -3.240 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.549 -1.566 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.630 -2.902 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.513 -4.414 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.179 -4.137 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.803 -3.616 -4.944 1.00 0.00 H new ATOM 296 N GLU A 33 -6.391 0.069 -5.393 1.00 0.00 N ATOM 297 CA GLU A 33 -7.264 1.206 -5.542 1.00 0.00 C ATOM 298 C GLU A 33 -8.718 0.766 -5.690 1.00 0.00 C ATOM 299 O GLU A 33 -9.608 1.327 -5.054 1.00 0.00 O ATOM 300 CB GLU A 33 -6.811 2.006 -6.754 1.00 0.00 C ATOM 301 CG GLU A 33 -5.715 3.014 -6.438 1.00 0.00 C ATOM 302 CD GLU A 33 -5.370 3.908 -7.613 1.00 0.00 C ATOM 303 OE1 GLU A 33 -5.017 3.383 -8.692 1.00 0.00 O ATOM 304 OE2 GLU A 33 -5.443 5.146 -7.461 1.00 0.00 O ATOM 0 H GLU A 33 -5.712 -0.033 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.209 1.829 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.452 1.319 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.668 2.532 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.031 3.634 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.819 2.480 -6.121 1.00 0.00 H new ATOM 311 N LYS A 34 -8.946 -0.252 -6.517 1.00 0.00 N ATOM 312 CA LYS A 34 -10.294 -0.771 -6.738 1.00 0.00 C ATOM 313 C LYS A 34 -10.908 -1.265 -5.434 1.00 0.00 C ATOM 314 O LYS A 34 -12.069 -0.977 -5.138 1.00 0.00 O ATOM 315 CB LYS A 34 -10.279 -1.917 -7.753 1.00 0.00 C ATOM 316 CG LYS A 34 -10.389 -1.462 -9.199 1.00 0.00 C ATOM 317 CD LYS A 34 -10.736 -2.620 -10.126 1.00 0.00 C ATOM 318 CE LYS A 34 -9.638 -3.671 -10.158 1.00 0.00 C ATOM 319 NZ LYS A 34 -8.321 -3.084 -10.514 1.00 0.00 N ATOM 0 H LYS A 34 -8.217 -0.733 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.898 0.047 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.357 -2.485 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.103 -2.595 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.153 -0.688 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.446 -1.014 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.669 -3.080 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.904 -2.240 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.569 -4.154 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.897 -4.446 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.609 -3.840 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.393 -2.601 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.037 -2.399 -9.784 1.00 0.00 H new ATOM 333 N GLU A 35 -10.118 -1.998 -4.655 1.00 0.00 N ATOM 334 CA GLU A 35 -10.581 -2.535 -3.384 1.00 0.00 C ATOM 335 C GLU A 35 -10.850 -1.414 -2.383 1.00 0.00 C ATOM 336 O GLU A 35 -11.886 -1.407 -1.729 1.00 0.00 O ATOM 337 CB GLU A 35 -9.552 -3.515 -2.813 1.00 0.00 C ATOM 338 CG GLU A 35 -10.011 -4.229 -1.547 1.00 0.00 C ATOM 339 CD GLU A 35 -11.033 -5.315 -1.819 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.639 -6.412 -2.271 1.00 0.00 O ATOM 341 OE2 GLU A 35 -12.236 -5.085 -1.581 1.00 0.00 O ATOM 0 H GLU A 35 -9.152 -2.233 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.516 -3.067 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.315 -4.260 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.630 -2.974 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.146 -4.668 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.438 -3.499 -0.859 1.00 0.00 H new ATOM 348 N PHE A 36 -9.933 -0.456 -2.291 1.00 0.00 N ATOM 349 CA PHE A 36 -10.075 0.660 -1.361 1.00 0.00 C ATOM 350 C PHE A 36 -11.276 1.533 -1.715 1.00 0.00 C ATOM 351 O PHE A 36 -11.955 2.059 -0.833 1.00 0.00 O ATOM 352 CB PHE A 36 -8.792 1.488 -1.364 1.00 0.00 C ATOM 353 CG PHE A 36 -8.813 2.660 -0.427 1.00 0.00 C ATOM 354 CD1 PHE A 36 -9.089 2.491 0.920 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.547 3.927 -0.899 1.00 0.00 C ATOM 356 CE1 PHE A 36 -9.098 3.570 1.779 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.556 5.014 -0.046 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.831 4.834 1.295 1.00 0.00 C ATOM 0 H PHE A 36 -9.081 -0.430 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.248 0.259 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.955 0.841 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.609 1.850 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.300 1.503 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.329 4.072 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.313 3.426 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.348 6.003 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.837 5.682 1.964 1.00 0.00 H new ATOM 368 N LEU A 37 -11.536 1.680 -3.006 1.00 0.00 N ATOM 369 CA LEU A 37 -12.654 2.486 -3.469 1.00 0.00 C ATOM 370 C LEU A 37 -13.976 1.773 -3.223 1.00 0.00 C ATOM 371 O LEU A 37 -15.010 2.409 -3.022 1.00 0.00 O ATOM 372 CB LEU A 37 -12.502 2.803 -4.953 1.00 0.00 C ATOM 373 CG LEU A 37 -11.636 4.023 -5.270 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.337 4.098 -6.758 1.00 0.00 C ATOM 375 CD2 LEU A 37 -12.322 5.296 -4.799 1.00 0.00 C ATOM 0 H LEU A 37 -10.987 1.251 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.654 3.419 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.074 1.934 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.493 2.960 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.690 3.921 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.720 4.973 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.805 3.199 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.272 4.176 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.693 6.156 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.282 5.401 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.483 5.245 -3.722 1.00 0.00 H new ATOM 387 N PHE A 38 -13.938 0.453 -3.272 1.00 0.00 N ATOM 388 CA PHE A 38 -15.127 -0.355 -3.044 1.00 0.00 C ATOM 389 C PHE A 38 -15.367 -0.541 -1.552 1.00 0.00 C ATOM 390 O PHE A 38 -16.444 -0.242 -1.031 1.00 0.00 O ATOM 391 CB PHE A 38 -14.961 -1.727 -3.699 1.00 0.00 C ATOM 392 CG PHE A 38 -16.236 -2.307 -4.242 1.00 0.00 C ATOM 393 CD1 PHE A 38 -17.129 -2.958 -3.406 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.538 -2.208 -5.589 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.299 -3.497 -3.903 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.708 -2.744 -6.091 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.588 -3.391 -5.247 1.00 0.00 C ATOM 0 H PHE A 38 -13.094 -0.085 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.981 0.161 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.238 -1.645 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.543 -2.418 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.907 -3.045 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.852 -1.706 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.987 -4.001 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.934 -2.657 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.501 -3.814 -5.639 1.00 0.00 H new ATOM 407 N ASN A 39 -14.338 -1.011 -0.875 1.00 0.00 N ATOM 408 CA ASN A 39 -14.394 -1.267 0.550 1.00 0.00 C ATOM 409 C ASN A 39 -13.167 -0.696 1.238 1.00 0.00 C ATOM 410 O ASN A 39 -12.091 -1.290 1.212 1.00 0.00 O ATOM 411 CB ASN A 39 -14.473 -2.770 0.833 1.00 0.00 C ATOM 412 CG ASN A 39 -15.374 -3.505 -0.135 1.00 0.00 C ATOM 413 OD1 ASN A 39 -16.590 -3.571 0.051 1.00 0.00 O ATOM 414 ND2 ASN A 39 -14.781 -4.086 -1.165 1.00 0.00 N ATOM 0 H ASN A 39 -13.436 -1.227 -1.300 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.290 -0.784 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.471 -3.197 0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.837 -2.925 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.334 -4.613 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.771 -4.007 -1.283 1.00 0.00 H new ATOM 421 N MET A 40 -13.339 0.468 1.836 1.00 0.00 N ATOM 422 CA MET A 40 -12.268 1.137 2.556 1.00 0.00 C ATOM 423 C MET A 40 -11.747 0.265 3.696 1.00 0.00 C ATOM 424 O MET A 40 -10.609 0.421 4.143 1.00 0.00 O ATOM 425 CB MET A 40 -12.760 2.473 3.104 1.00 0.00 C ATOM 426 CG MET A 40 -12.873 3.558 2.048 1.00 0.00 C ATOM 427 SD MET A 40 -12.958 5.214 2.753 1.00 0.00 S ATOM 428 CE MET A 40 -13.071 6.198 1.262 1.00 0.00 C ATOM 0 H MET A 40 -14.223 0.977 1.837 1.00 0.00 H new ATOM 0 HA MET A 40 -11.449 1.315 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.735 2.328 3.570 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.079 2.808 3.886 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.015 3.497 1.378 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.763 3.379 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.131 7.254 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.188 6.028 0.646 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.963 5.912 0.704 1.00 0.00 H new ATOM 438 N TYR A 41 -12.590 -0.641 4.175 1.00 0.00 N ATOM 439 CA TYR A 41 -12.209 -1.548 5.243 1.00 0.00 C ATOM 440 C TYR A 41 -12.530 -2.976 4.858 1.00 0.00 C ATOM 441 O TYR A 41 -13.544 -3.256 4.213 1.00 0.00 O ATOM 442 CB TYR A 41 -12.907 -1.179 6.541 1.00 0.00 C ATOM 443 CG TYR A 41 -12.623 -2.100 7.705 1.00 0.00 C ATOM 444 CD1 TYR A 41 -11.352 -2.189 8.255 1.00 0.00 C ATOM 445 CD2 TYR A 41 -13.636 -2.867 8.265 1.00 0.00 C ATOM 446 CE1 TYR A 41 -11.097 -3.022 9.326 1.00 0.00 C ATOM 447 CE2 TYR A 41 -13.390 -3.700 9.336 1.00 0.00 C ATOM 448 CZ TYR A 41 -12.121 -3.772 9.864 1.00 0.00 C ATOM 449 OH TYR A 41 -11.875 -4.600 10.932 1.00 0.00 O ATOM 0 H TYR A 41 -13.545 -0.765 3.838 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.134 -1.460 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.613 -0.167 6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.983 -1.162 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.550 -1.597 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.633 -2.810 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.101 -3.086 9.740 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.188 -4.292 9.758 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.685 -4.678 11.478 1.00 0.00 H new ATOM 459 N LEU A 42 -11.651 -3.859 5.269 1.00 0.00 N ATOM 460 CA LEU A 42 -11.748 -5.266 4.977 1.00 0.00 C ATOM 461 C LEU A 42 -11.667 -6.087 6.248 1.00 0.00 C ATOM 462 O LEU A 42 -11.231 -5.605 7.295 1.00 0.00 O ATOM 463 CB LEU A 42 -10.592 -5.695 4.071 1.00 0.00 C ATOM 464 CG LEU A 42 -10.487 -5.007 2.709 1.00 0.00 C ATOM 465 CD1 LEU A 42 -11.832 -4.964 2.002 1.00 0.00 C ATOM 466 CD2 LEU A 42 -9.891 -3.614 2.841 1.00 0.00 C ATOM 0 H LEU A 42 -10.833 -3.613 5.827 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.706 -5.435 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.659 -5.526 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.673 -6.769 3.903 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.812 -5.601 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.720 -4.468 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.195 -5.980 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.547 -4.412 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.829 -3.150 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.524 -3.007 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.892 -3.685 3.272 1.00 0.00 H new ATOM 478 N THR A 43 -12.068 -7.331 6.135 1.00 0.00 N ATOM 479 CA THR A 43 -12.018 -8.266 7.241 1.00 0.00 C ATOM 480 C THR A 43 -10.616 -8.866 7.338 1.00 0.00 C ATOM 481 O THR A 43 -9.796 -8.674 6.437 1.00 0.00 O ATOM 482 CB THR A 43 -13.048 -9.390 7.043 1.00 0.00 C ATOM 483 OG1 THR A 43 -13.571 -9.341 5.705 1.00 0.00 O ATOM 484 CG2 THR A 43 -14.182 -9.269 8.048 1.00 0.00 C ATOM 0 H THR A 43 -12.440 -7.727 5.272 1.00 0.00 H new ATOM 0 HA THR A 43 -12.255 -7.734 8.162 1.00 0.00 H new ATOM 0 HB THR A 43 -12.550 -10.346 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.226 -10.060 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.898 -10.075 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.781 -9.336 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.682 -8.309 7.919 1.00 0.00 H new ATOM 492 N ARG A 44 -10.345 -9.602 8.410 1.00 0.00 N ATOM 493 CA ARG A 44 -9.031 -10.216 8.605 1.00 0.00 C ATOM 494 C ARG A 44 -8.712 -11.184 7.475 1.00 0.00 C ATOM 495 O ARG A 44 -7.645 -11.112 6.864 1.00 0.00 O ATOM 496 CB ARG A 44 -8.971 -10.955 9.942 1.00 0.00 C ATOM 497 CG ARG A 44 -8.381 -10.130 11.080 1.00 0.00 C ATOM 498 CD ARG A 44 -9.283 -8.967 11.461 1.00 0.00 C ATOM 499 NE ARG A 44 -10.679 -9.381 11.605 1.00 0.00 N ATOM 500 CZ ARG A 44 -11.714 -8.578 11.379 1.00 0.00 C ATOM 501 NH1 ARG A 44 -11.509 -7.315 11.035 1.00 0.00 N ATOM 502 NH2 ARG A 44 -12.956 -9.027 11.502 1.00 0.00 N ATOM 0 H ARG A 44 -11.014 -9.789 9.157 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.290 -9.417 8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.978 -11.268 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.378 -11.861 9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.225 -10.769 11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.403 -9.750 10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.936 -8.530 12.397 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.212 -8.189 10.701 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.869 -10.340 11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.557 -6.959 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.303 -6.698 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.124 -9.996 11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.744 -8.403 11.326 1.00 0.00 H new ATOM 516 N ASP A 45 -9.657 -12.067 7.184 1.00 0.00 N ATOM 517 CA ASP A 45 -9.481 -13.062 6.132 1.00 0.00 C ATOM 518 C ASP A 45 -9.349 -12.405 4.772 1.00 0.00 C ATOM 519 O ASP A 45 -8.469 -12.755 3.990 1.00 0.00 O ATOM 520 CB ASP A 45 -10.646 -14.048 6.107 1.00 0.00 C ATOM 521 CG ASP A 45 -10.371 -15.224 5.193 1.00 0.00 C ATOM 522 OD1 ASP A 45 -10.666 -15.129 3.984 1.00 0.00 O ATOM 523 OD2 ASP A 45 -9.856 -16.252 5.681 1.00 0.00 O ATOM 0 H ASP A 45 -10.556 -12.116 7.662 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.562 -13.604 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.837 -14.410 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.549 -13.535 5.777 1.00 0.00 H new ATOM 528 N ARG A 46 -10.231 -11.460 4.502 1.00 0.00 N ATOM 529 CA ARG A 46 -10.221 -10.737 3.236 1.00 0.00 C ATOM 530 C ARG A 46 -8.891 -10.021 3.038 1.00 0.00 C ATOM 531 O ARG A 46 -8.315 -10.065 1.953 1.00 0.00 O ATOM 532 CB ARG A 46 -11.380 -9.737 3.178 1.00 0.00 C ATOM 533 CG ARG A 46 -11.417 -8.909 1.901 1.00 0.00 C ATOM 534 CD ARG A 46 -11.672 -9.769 0.672 1.00 0.00 C ATOM 535 NE ARG A 46 -11.626 -8.983 -0.561 1.00 0.00 N ATOM 536 CZ ARG A 46 -12.208 -9.343 -1.704 1.00 0.00 C ATOM 537 NH1 ARG A 46 -12.905 -10.472 -1.783 1.00 0.00 N ATOM 538 NH2 ARG A 46 -12.094 -8.559 -2.768 1.00 0.00 N ATOM 0 H ARG A 46 -10.969 -11.171 5.144 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.347 -11.459 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.320 -10.280 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.310 -9.065 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.197 -8.152 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.471 -8.381 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.928 -10.564 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.646 -10.249 0.761 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.114 -8.101 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.998 -11.072 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.347 -10.738 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.564 -7.689 -2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.536 -8.826 -3.648 1.00 0.00 H new ATOM 552 N ARG A 47 -8.403 -9.376 4.089 1.00 0.00 N ATOM 553 CA ARG A 47 -7.134 -8.664 4.025 1.00 0.00 C ATOM 554 C ARG A 47 -5.997 -9.648 3.787 1.00 0.00 C ATOM 555 O ARG A 47 -5.126 -9.415 2.951 1.00 0.00 O ATOM 556 CB ARG A 47 -6.898 -7.880 5.317 1.00 0.00 C ATOM 557 CG ARG A 47 -5.638 -7.030 5.296 1.00 0.00 C ATOM 558 CD ARG A 47 -5.411 -6.346 6.631 1.00 0.00 C ATOM 559 NE ARG A 47 -5.301 -7.310 7.723 1.00 0.00 N ATOM 560 CZ ARG A 47 -5.523 -7.024 9.000 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.900 -5.804 9.362 1.00 0.00 N ATOM 562 NH2 ARG A 47 -5.373 -7.969 9.915 1.00 0.00 N ATOM 0 H ARG A 47 -8.867 -9.331 4.996 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.168 -7.958 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.757 -7.235 5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.839 -8.580 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.779 -7.656 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.716 -6.280 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.502 -5.747 6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.234 -5.661 6.833 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.036 -8.267 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.021 -5.077 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.068 -5.593 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.089 -8.908 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.542 -7.758 10.899 1.00 0.00 H new ATOM 576 N TYR A 48 -6.028 -10.754 4.518 1.00 0.00 N ATOM 577 CA TYR A 48 -5.014 -11.790 4.390 1.00 0.00 C ATOM 578 C TYR A 48 -5.060 -12.413 2.994 1.00 0.00 C ATOM 579 O TYR A 48 -4.028 -12.741 2.419 1.00 0.00 O ATOM 580 CB TYR A 48 -5.225 -12.864 5.464 1.00 0.00 C ATOM 581 CG TYR A 48 -4.243 -14.011 5.396 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.903 -13.829 5.712 1.00 0.00 C ATOM 583 CD2 TYR A 48 -4.660 -15.279 5.014 1.00 0.00 C ATOM 584 CE1 TYR A 48 -2.010 -14.880 5.653 1.00 0.00 C ATOM 585 CE2 TYR A 48 -3.774 -16.335 4.955 1.00 0.00 C ATOM 586 CZ TYR A 48 -2.450 -16.129 5.273 1.00 0.00 C ATOM 587 OH TYR A 48 -1.567 -17.186 5.220 1.00 0.00 O ATOM 0 H TYR A 48 -6.750 -10.957 5.210 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.031 -11.340 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.154 -12.398 6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.236 -13.260 5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.554 -12.851 6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.697 -15.442 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.971 -14.724 5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.116 -17.316 4.661 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.041 -17.995 4.935 1.00 0.00 H new ATOM 597 N GLU A 49 -6.267 -12.549 2.455 1.00 0.00 N ATOM 598 CA GLU A 49 -6.468 -13.127 1.136 1.00 0.00 C ATOM 599 C GLU A 49 -5.946 -12.187 0.063 1.00 0.00 C ATOM 600 O GLU A 49 -5.194 -12.599 -0.818 1.00 0.00 O ATOM 601 CB GLU A 49 -7.957 -13.407 0.926 1.00 0.00 C ATOM 602 CG GLU A 49 -8.259 -14.785 0.364 1.00 0.00 C ATOM 603 CD GLU A 49 -7.715 -14.973 -1.030 1.00 0.00 C ATOM 604 OE1 GLU A 49 -8.249 -14.342 -1.966 1.00 0.00 O ATOM 605 OE2 GLU A 49 -6.754 -15.755 -1.196 1.00 0.00 O ATOM 0 H GLU A 49 -7.128 -12.262 2.920 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.915 -14.064 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.474 -13.294 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.365 -12.654 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.834 -15.543 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.338 -14.941 0.354 1.00 0.00 H new ATOM 612 N VAL A 50 -6.341 -10.924 0.148 1.00 0.00 N ATOM 613 CA VAL A 50 -5.897 -9.923 -0.808 1.00 0.00 C ATOM 614 C VAL A 50 -4.378 -9.825 -0.772 1.00 0.00 C ATOM 615 O VAL A 50 -3.716 -9.804 -1.812 1.00 0.00 O ATOM 616 CB VAL A 50 -6.533 -8.541 -0.514 1.00 0.00 C ATOM 617 CG1 VAL A 50 -5.843 -7.436 -1.299 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.021 -8.564 -0.833 1.00 0.00 C ATOM 0 H VAL A 50 -6.968 -10.570 0.870 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.219 -10.229 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.401 -8.332 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.313 -6.479 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.789 -7.398 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.932 -7.638 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.454 -7.586 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.164 -8.803 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.513 -9.319 -0.220 1.00 0.00 H new ATOM 628 N ALA A 51 -3.832 -9.803 0.436 1.00 0.00 N ATOM 629 CA ALA A 51 -2.393 -9.735 0.620 1.00 0.00 C ATOM 630 C ALA A 51 -1.728 -10.992 0.074 1.00 0.00 C ATOM 631 O ALA A 51 -0.676 -10.923 -0.551 1.00 0.00 O ATOM 632 CB ALA A 51 -2.057 -9.551 2.090 1.00 0.00 C ATOM 0 H ALA A 51 -4.367 -9.831 1.304 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.012 -8.876 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.975 -9.502 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.506 -8.626 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.449 -10.393 2.661 1.00 0.00 H new ATOM 638 N ARG A 52 -2.365 -12.135 0.294 1.00 0.00 N ATOM 639 CA ARG A 52 -1.847 -13.411 -0.164 1.00 0.00 C ATOM 640 C ARG A 52 -1.777 -13.440 -1.684 1.00 0.00 C ATOM 641 O ARG A 52 -0.756 -13.813 -2.260 1.00 0.00 O ATOM 642 CB ARG A 52 -2.748 -14.532 0.344 1.00 0.00 C ATOM 643 CG ARG A 52 -1.999 -15.780 0.787 1.00 0.00 C ATOM 644 CD ARG A 52 -1.378 -16.511 -0.388 1.00 0.00 C ATOM 645 NE ARG A 52 -0.058 -17.047 -0.067 1.00 0.00 N ATOM 646 CZ ARG A 52 0.744 -17.624 -0.960 1.00 0.00 C ATOM 647 NH1 ARG A 52 0.354 -17.750 -2.223 1.00 0.00 N ATOM 648 NH2 ARG A 52 1.939 -18.064 -0.595 1.00 0.00 N ATOM 0 H ARG A 52 -3.252 -12.200 0.793 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.839 -13.551 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.337 -14.159 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.451 -14.804 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.219 -15.503 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.683 -16.448 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.034 -17.325 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.296 -15.830 -1.235 1.00 0.00 H new ATOM 0 HE ARG A 52 0.268 -16.975 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.561 -17.404 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.970 -18.192 -2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.247 -17.961 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.551 -18.506 -1.281 1.00 0.00 H new ATOM 662 N VAL A 53 -2.867 -13.038 -2.327 1.00 0.00 N ATOM 663 CA VAL A 53 -2.926 -13.010 -3.787 1.00 0.00 C ATOM 664 C VAL A 53 -1.852 -12.083 -4.363 1.00 0.00 C ATOM 665 O VAL A 53 -1.234 -12.386 -5.383 1.00 0.00 O ATOM 666 CB VAL A 53 -4.316 -12.558 -4.293 1.00 0.00 C ATOM 667 CG1 VAL A 53 -4.343 -12.455 -5.813 1.00 0.00 C ATOM 668 CG2 VAL A 53 -5.394 -13.513 -3.809 1.00 0.00 C ATOM 0 H VAL A 53 -3.721 -12.727 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.744 -14.029 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.515 -11.567 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.333 -12.135 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.601 -11.728 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.115 -13.428 -6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.366 -13.180 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.189 -14.515 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.402 -13.530 -2.719 1.00 0.00 H new ATOM 678 N LEU A 54 -1.616 -10.966 -3.690 1.00 0.00 N ATOM 679 CA LEU A 54 -0.627 -9.996 -4.139 1.00 0.00 C ATOM 680 C LEU A 54 0.774 -10.380 -3.676 1.00 0.00 C ATOM 681 O LEU A 54 1.751 -9.706 -4.007 1.00 0.00 O ATOM 682 CB LEU A 54 -0.983 -8.613 -3.605 1.00 0.00 C ATOM 683 CG LEU A 54 -2.286 -8.019 -4.138 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.827 -6.983 -3.168 1.00 0.00 C ATOM 685 CD2 LEU A 54 -2.067 -7.399 -5.509 1.00 0.00 C ATOM 0 H LEU A 54 -2.097 -10.708 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.634 -9.984 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.046 -8.667 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.168 -7.930 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.018 -8.820 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.755 -6.568 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.018 -7.453 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.096 -6.184 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.005 -6.981 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.321 -6.607 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.717 -8.164 -6.202 1.00 0.00 H new ATOM 697 N ASN A 55 0.858 -11.475 -2.925 1.00 0.00 N ATOM 698 CA ASN A 55 2.116 -11.972 -2.388 1.00 0.00 C ATOM 699 C ASN A 55 2.742 -10.922 -1.465 1.00 0.00 C ATOM 700 O ASN A 55 3.947 -10.692 -1.466 1.00 0.00 O ATOM 701 CB ASN A 55 3.054 -12.353 -3.530 1.00 0.00 C ATOM 702 CG ASN A 55 4.321 -13.051 -3.059 1.00 0.00 C ATOM 703 OD1 ASN A 55 4.279 -14.186 -2.581 1.00 0.00 O ATOM 704 ND2 ASN A 55 5.455 -12.385 -3.209 1.00 0.00 N ATOM 0 H ASN A 55 0.050 -12.043 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 55 1.933 -12.868 -1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.524 -13.006 -4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.327 -11.454 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.338 -12.810 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.446 -11.447 -3.609 1.00 0.00 H new ATOM 711 N LEU A 56 1.889 -10.275 -0.688 1.00 0.00 N ATOM 712 CA LEU A 56 2.321 -9.256 0.256 1.00 0.00 C ATOM 713 C LEU A 56 1.842 -9.607 1.653 1.00 0.00 C ATOM 714 O LEU A 56 1.232 -10.659 1.866 1.00 0.00 O ATOM 715 CB LEU A 56 1.770 -7.880 -0.134 1.00 0.00 C ATOM 716 CG LEU A 56 2.442 -7.223 -1.343 1.00 0.00 C ATOM 717 CD1 LEU A 56 1.724 -5.936 -1.714 1.00 0.00 C ATOM 718 CD2 LEU A 56 3.911 -6.951 -1.054 1.00 0.00 C ATOM 0 H LEU A 56 0.882 -10.440 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 56 3.410 -9.218 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.704 -7.979 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.867 -7.212 0.722 1.00 0.00 H new ATOM 0 HG LEU A 56 2.380 -7.909 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.214 -5.481 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.686 -6.157 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.757 -5.245 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.373 -6.484 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.996 -6.284 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.419 -7.890 -0.834 1.00 0.00 H new ATOM 730 N THR A 57 2.121 -8.728 2.595 1.00 0.00 N ATOM 731 CA THR A 57 1.708 -8.920 3.971 1.00 0.00 C ATOM 732 C THR A 57 0.458 -8.099 4.247 1.00 0.00 C ATOM 733 O THR A 57 0.113 -7.209 3.465 1.00 0.00 O ATOM 734 CB THR A 57 2.820 -8.484 4.941 1.00 0.00 C ATOM 735 OG1 THR A 57 3.439 -7.288 4.447 1.00 0.00 O ATOM 736 CG2 THR A 57 3.865 -9.579 5.107 1.00 0.00 C ATOM 0 H THR A 57 2.638 -7.864 2.429 1.00 0.00 H new ATOM 0 HA THR A 57 1.502 -9.979 4.123 1.00 0.00 H new ATOM 0 HB THR A 57 2.374 -8.294 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.147 -7.007 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.638 -9.242 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.391 -10.477 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.315 -9.802 4.140 1.00 0.00 H new ATOM 744 N GLU A 58 -0.221 -8.395 5.344 1.00 0.00 N ATOM 745 CA GLU A 58 -1.417 -7.658 5.719 1.00 0.00 C ATOM 746 C GLU A 58 -1.051 -6.203 5.955 1.00 0.00 C ATOM 747 O GLU A 58 -1.817 -5.293 5.640 1.00 0.00 O ATOM 748 CB GLU A 58 -2.035 -8.229 6.992 1.00 0.00 C ATOM 749 CG GLU A 58 -2.575 -9.638 6.851 1.00 0.00 C ATOM 750 CD GLU A 58 -3.297 -10.090 8.102 1.00 0.00 C ATOM 751 OE1 GLU A 58 -2.623 -10.468 9.084 1.00 0.00 O ATOM 752 OE2 GLU A 58 -4.544 -10.047 8.122 1.00 0.00 O ATOM 0 H GLU A 58 0.036 -9.141 5.991 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.144 -7.743 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.284 -8.219 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.844 -7.574 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.256 -9.683 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.754 -10.322 6.638 1.00 0.00 H new ATOM 759 N ARG A 59 0.144 -6.008 6.500 1.00 0.00 N ATOM 760 CA ARG A 59 0.656 -4.683 6.795 1.00 0.00 C ATOM 761 C ARG A 59 0.850 -3.874 5.520 1.00 0.00 C ATOM 762 O ARG A 59 0.621 -2.665 5.512 1.00 0.00 O ATOM 763 CB ARG A 59 1.973 -4.786 7.563 1.00 0.00 C ATOM 764 CG ARG A 59 2.232 -3.608 8.483 1.00 0.00 C ATOM 765 CD ARG A 59 3.592 -3.717 9.154 1.00 0.00 C ATOM 766 NE ARG A 59 3.717 -4.936 9.951 1.00 0.00 N ATOM 767 CZ ARG A 59 4.869 -5.392 10.445 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.003 -4.736 10.218 1.00 0.00 N ATOM 769 NH2 ARG A 59 4.883 -6.507 11.164 1.00 0.00 N ATOM 0 H ARG A 59 0.781 -6.765 6.748 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.077 -4.166 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.970 -5.703 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.794 -4.868 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.179 -2.681 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.452 -3.560 9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.373 -3.700 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.751 -2.849 9.793 1.00 0.00 H new ATOM 0 HE ARG A 59 2.870 -5.472 10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.995 -3.880 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.881 -5.089 10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.014 -7.013 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.762 -6.858 11.543 1.00 0.00 H new ATOM 783 N GLN A 60 1.257 -4.538 4.439 1.00 0.00 N ATOM 784 CA GLN A 60 1.463 -3.847 3.173 1.00 0.00 C ATOM 785 C GLN A 60 0.164 -3.200 2.719 1.00 0.00 C ATOM 786 O GLN A 60 0.149 -2.060 2.256 1.00 0.00 O ATOM 787 CB GLN A 60 1.957 -4.813 2.098 1.00 0.00 C ATOM 788 CG GLN A 60 3.436 -5.145 2.200 1.00 0.00 C ATOM 789 CD GLN A 60 4.327 -3.946 1.960 1.00 0.00 C ATOM 790 OE1 GLN A 60 3.954 -3.005 1.260 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.515 -3.977 2.539 1.00 0.00 N ATOM 0 H GLN A 60 1.448 -5.540 4.416 1.00 0.00 H new ATOM 0 HA GLN A 60 2.221 -3.079 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.382 -5.737 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.759 -4.381 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.644 -5.554 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.679 -5.923 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.783 -4.778 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.164 -3.200 2.414 1.00 0.00 H new ATOM 800 N VAL A 61 -0.926 -3.933 2.890 1.00 0.00 N ATOM 801 CA VAL A 61 -2.244 -3.460 2.506 1.00 0.00 C ATOM 802 C VAL A 61 -2.773 -2.454 3.524 1.00 0.00 C ATOM 803 O VAL A 61 -3.283 -1.393 3.164 1.00 0.00 O ATOM 804 CB VAL A 61 -3.242 -4.631 2.384 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.581 -4.146 1.852 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.682 -5.732 1.494 1.00 0.00 C ATOM 0 H VAL A 61 -0.920 -4.868 3.297 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.146 -2.976 1.534 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.398 -5.044 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.268 -4.988 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.995 -3.402 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.441 -3.700 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.404 -6.546 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.488 -5.332 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.752 -6.108 1.921 1.00 0.00 H new ATOM 816 N LYS A 62 -2.628 -2.792 4.802 1.00 0.00 N ATOM 817 CA LYS A 62 -3.106 -1.944 5.891 1.00 0.00 C ATOM 818 C LYS A 62 -2.485 -0.551 5.838 1.00 0.00 C ATOM 819 O LYS A 62 -3.183 0.458 5.951 1.00 0.00 O ATOM 820 CB LYS A 62 -2.777 -2.599 7.234 1.00 0.00 C ATOM 821 CG LYS A 62 -3.885 -2.476 8.266 1.00 0.00 C ATOM 822 CD LYS A 62 -3.923 -1.090 8.891 1.00 0.00 C ATOM 823 CE LYS A 62 -5.248 -0.828 9.582 1.00 0.00 C ATOM 824 NZ LYS A 62 -6.380 -0.854 8.624 1.00 0.00 N ATOM 0 H LYS A 62 -2.180 -3.654 5.111 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.185 -1.835 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.563 -3.655 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.869 -2.148 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.845 -2.689 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.739 -3.223 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.110 -0.992 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.758 -0.337 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.409 -1.578 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.214 0.141 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.943 0.014 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.012 -0.914 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.980 -1.681 8.818 1.00 0.00 H new ATOM 838 N ILE A 63 -1.177 -0.502 5.646 1.00 0.00 N ATOM 839 CA ILE A 63 -0.472 0.766 5.590 1.00 0.00 C ATOM 840 C ILE A 63 -0.744 1.490 4.270 1.00 0.00 C ATOM 841 O ILE A 63 -0.827 2.718 4.238 1.00 0.00 O ATOM 842 CB ILE A 63 1.048 0.575 5.816 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.300 0.057 7.238 1.00 0.00 C ATOM 844 CG2 ILE A 63 1.804 1.873 5.585 1.00 0.00 C ATOM 845 CD1 ILE A 63 2.763 0.007 7.635 1.00 0.00 C ATOM 0 H ILE A 63 -0.584 -1.323 5.527 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.851 1.390 6.399 1.00 0.00 H new ATOM 0 HB ILE A 63 1.414 -0.157 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.766 0.693 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.877 -0.944 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.869 1.708 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.644 2.210 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.442 2.633 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.851 -0.370 8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.302 -0.653 6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.189 1.009 7.581 1.00 0.00 H new ATOM 857 N TRP A 64 -0.915 0.729 3.189 1.00 0.00 N ATOM 858 CA TRP A 64 -1.199 1.323 1.886 1.00 0.00 C ATOM 859 C TRP A 64 -2.554 2.016 1.922 1.00 0.00 C ATOM 860 O TRP A 64 -2.716 3.119 1.399 1.00 0.00 O ATOM 861 CB TRP A 64 -1.183 0.263 0.778 1.00 0.00 C ATOM 862 CG TRP A 64 -1.186 0.846 -0.603 1.00 0.00 C ATOM 863 CD1 TRP A 64 -0.095 1.144 -1.369 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.334 1.212 -1.380 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.494 1.668 -2.574 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.862 1.721 -2.605 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.717 1.157 -1.161 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.723 2.167 -3.604 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.568 1.607 -2.153 1.00 0.00 C ATOM 870 CH2 TRP A 64 -4.068 2.106 -3.358 1.00 0.00 C ATOM 0 H TRP A 64 -0.862 -0.290 3.190 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.421 2.054 1.666 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.299 -0.364 0.898 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.052 -0.385 0.893 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.931 0.990 -1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.128 1.969 -3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.111 0.770 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.343 2.548 -4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.636 1.572 -1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.759 2.452 -4.113 1.00 0.00 H new ATOM 881 N PHE A 65 -3.525 1.365 2.556 1.00 0.00 N ATOM 882 CA PHE A 65 -4.861 1.906 2.677 1.00 0.00 C ATOM 883 C PHE A 65 -4.839 3.181 3.501 1.00 0.00 C ATOM 884 O PHE A 65 -5.607 4.112 3.260 1.00 0.00 O ATOM 885 CB PHE A 65 -5.781 0.859 3.300 1.00 0.00 C ATOM 886 CG PHE A 65 -6.498 0.013 2.284 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.811 -0.543 1.214 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.856 -0.220 2.394 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.468 -1.315 0.276 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.519 -0.989 1.457 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.824 -1.538 0.397 1.00 0.00 C ATOM 0 H PHE A 65 -3.402 0.453 2.996 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.244 2.157 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.194 0.212 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.517 1.361 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.750 -0.370 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.405 0.204 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.921 -1.743 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.581 -1.161 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.341 -2.140 -0.335 1.00 0.00 H new ATOM 901 N GLN A 66 -3.932 3.214 4.456 1.00 0.00 N ATOM 902 CA GLN A 66 -3.763 4.373 5.317 1.00 0.00 C ATOM 903 C GLN A 66 -3.104 5.489 4.517 1.00 0.00 C ATOM 904 O GLN A 66 -3.472 6.660 4.625 1.00 0.00 O ATOM 905 CB GLN A 66 -2.912 4.014 6.534 1.00 0.00 C ATOM 906 CG GLN A 66 -3.474 4.535 7.846 1.00 0.00 C ATOM 907 CD GLN A 66 -3.525 6.047 7.908 1.00 0.00 C ATOM 908 OE1 GLN A 66 -4.526 6.663 7.549 1.00 0.00 O ATOM 909 NE2 GLN A 66 -2.444 6.659 8.359 1.00 0.00 N ATOM 0 H GLN A 66 -3.294 2.445 4.659 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.737 4.707 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.818 2.930 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.907 4.414 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.479 4.137 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.864 4.163 8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.632 6.113 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.422 7.677 8.418 1.00 0.00 H new ATOM 918 N ASN A 67 -2.134 5.102 3.697 1.00 0.00 N ATOM 919 CA ASN A 67 -1.426 6.033 2.838 1.00 0.00 C ATOM 920 C ASN A 67 -2.411 6.706 1.897 1.00 0.00 C ATOM 921 O ASN A 67 -2.405 7.923 1.732 1.00 0.00 O ATOM 922 CB ASN A 67 -0.375 5.288 2.021 1.00 0.00 C ATOM 923 CG ASN A 67 0.577 6.228 1.322 1.00 0.00 C ATOM 924 OD1 ASN A 67 0.256 6.804 0.287 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.765 6.369 1.869 1.00 0.00 N ATOM 0 H ASN A 67 -1.819 4.135 3.612 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.936 6.786 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.189 4.624 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.871 4.660 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.459 6.975 1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.992 5.872 2.730 1.00 0.00 H new ATOM 932 N ARG A 68 -3.271 5.892 1.300 1.00 0.00 N ATOM 933 CA ARG A 68 -4.288 6.376 0.376 1.00 0.00 C ATOM 934 C ARG A 68 -5.219 7.376 1.060 1.00 0.00 C ATOM 935 O ARG A 68 -5.742 8.286 0.419 1.00 0.00 O ATOM 936 CB ARG A 68 -5.093 5.203 -0.176 1.00 0.00 C ATOM 937 CG ARG A 68 -5.091 5.122 -1.693 1.00 0.00 C ATOM 938 CD ARG A 68 -5.719 6.354 -2.324 1.00 0.00 C ATOM 939 NE ARG A 68 -5.899 6.200 -3.767 1.00 0.00 N ATOM 940 CZ ARG A 68 -6.966 6.637 -4.433 1.00 0.00 C ATOM 941 NH1 ARG A 68 -7.926 7.287 -3.789 1.00 0.00 N ATOM 942 NH2 ARG A 68 -7.077 6.434 -5.741 1.00 0.00 N ATOM 0 H ARG A 68 -3.284 4.882 1.442 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.787 6.886 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.690 4.275 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.122 5.284 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.067 5.013 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.636 4.233 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.685 6.548 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.090 7.222 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.164 5.730 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.846 7.451 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.744 7.623 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.341 5.939 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.898 6.773 -6.242 1.00 0.00 H new ATOM 956 N ARG A 69 -5.427 7.189 2.359 1.00 0.00 N ATOM 957 CA ARG A 69 -6.273 8.085 3.139 1.00 0.00 C ATOM 958 C ARG A 69 -5.667 9.482 3.197 1.00 0.00 C ATOM 959 O ARG A 69 -6.340 10.471 2.911 1.00 0.00 O ATOM 960 CB ARG A 69 -6.468 7.548 4.558 1.00 0.00 C ATOM 961 CG ARG A 69 -7.497 6.434 4.661 1.00 0.00 C ATOM 962 CD ARG A 69 -8.871 6.900 4.211 1.00 0.00 C ATOM 963 NE ARG A 69 -9.286 8.137 4.872 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.543 8.567 4.921 1.00 0.00 C ATOM 965 NH1 ARG A 69 -11.517 7.842 4.383 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.823 9.718 5.520 1.00 0.00 N ATOM 0 H ARG A 69 -5.020 6.423 2.895 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.244 8.141 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.512 7.181 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.770 8.369 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.181 5.588 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.551 6.081 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.864 7.053 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.602 6.118 4.417 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.568 8.704 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.301 6.953 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.481 8.174 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.075 10.269 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.786 10.051 5.560 1.00 0.00 H new