USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 17 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Set 1.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00462 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.093 K(o=-0.093,f=-2.3!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.024) USER MOD Single : A 50 THR OG1 : rot -160:sc= -1.06 USER MOD Single : A 51 TYR OH : rot 165:sc= -0.801 USER MOD Single : A 53 ASN : amide:sc= -0.0294 K(o=-0.029,f=-2.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -131:sc= -0.585 USER MOD Single : A 59 MET CE :methyl -174:sc= -0.0155 (180deg=-0.0481) USER MOD Single : A 66 THR OG1 : rot -156:sc= -0.53! USER MOD Single : A 70 TYR OH : rot 180:sc= 0.00586 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.821 -8.512 12.047 1.00 0.00 N ATOM 152 CA ILE A 13 -11.506 -7.226 11.437 1.00 0.00 C ATOM 153 C ILE A 13 -10.072 -6.808 11.745 1.00 0.00 C ATOM 154 O ILE A 13 -9.474 -7.272 12.715 1.00 0.00 O ATOM 155 CB ILE A 13 -12.466 -6.123 11.921 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.915 -6.609 11.847 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.282 -4.860 11.092 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.902 -5.668 12.502 1.00 0.00 C ATOM 0 HA ILE A 13 -11.622 -7.350 10.360 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.234 -5.890 12.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.192 -6.743 10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.987 -7.587 12.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.967 -4.090 11.446 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.256 -4.506 11.191 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.491 -5.078 10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.909 -6.076 12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.650 -5.553 13.556 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.859 -4.696 12.011 1.00 0.00 H new ATOM 170 N ALA A 14 -9.527 -5.926 10.913 1.00 0.00 N ATOM 171 CA ALA A 14 -8.165 -5.442 11.098 1.00 0.00 C ATOM 172 C ALA A 14 -8.122 -3.917 11.113 1.00 0.00 C ATOM 173 O ALA A 14 -8.865 -3.259 10.385 1.00 0.00 O ATOM 174 CB ALA A 14 -7.258 -5.987 10.005 1.00 0.00 C ATOM 0 H ALA A 14 -10.008 -5.532 10.104 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.807 -5.799 12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.244 -5.617 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.256 -7.076 10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.623 -5.658 9.032 1.00 0.00 H new ATOM 180 N ARG A 15 -7.248 -3.363 11.946 1.00 0.00 N ATOM 181 CA ARG A 15 -7.109 -1.916 12.057 1.00 0.00 C ATOM 182 C ARG A 15 -5.838 -1.436 11.362 1.00 0.00 C ATOM 183 O ARG A 15 -4.733 -1.620 11.874 1.00 0.00 O ATOM 184 CB ARG A 15 -7.090 -1.495 13.527 1.00 0.00 C ATOM 185 CG ARG A 15 -7.696 -0.123 13.776 1.00 0.00 C ATOM 186 CD ARG A 15 -7.556 0.292 15.232 1.00 0.00 C ATOM 187 NE ARG A 15 -8.239 1.552 15.510 1.00 0.00 N ATOM 188 CZ ARG A 15 -8.598 1.940 16.729 1.00 0.00 C ATOM 189 NH1 ARG A 15 -8.340 1.170 17.777 1.00 0.00 N ATOM 190 NH2 ARG A 15 -9.216 3.102 16.901 1.00 0.00 N ATOM 0 H ARG A 15 -6.625 -3.894 12.554 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.966 -1.456 11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.633 -2.235 14.115 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.060 -1.498 13.884 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.207 0.613 13.138 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.750 -0.134 13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.963 -0.490 15.873 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.499 0.390 15.481 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.452 2.168 14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.865 0.277 17.649 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.617 1.471 18.711 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.415 3.697 16.097 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.491 3.400 17.837 1.00 0.00 H new ATOM 204 N ILE A 16 -6.002 -0.823 10.195 1.00 0.00 N ATOM 205 CA ILE A 16 -4.868 -0.318 9.432 1.00 0.00 C ATOM 206 C ILE A 16 -4.939 1.198 9.281 1.00 0.00 C ATOM 207 O ILE A 16 -5.921 1.735 8.768 1.00 0.00 O ATOM 208 CB ILE A 16 -4.800 -0.959 8.034 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.081 -2.460 8.123 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.440 -0.706 7.401 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.004 -3.235 8.849 1.00 0.00 C ATOM 0 H ILE A 16 -6.909 -0.664 9.757 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.969 -0.584 9.989 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.563 -0.502 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.033 -2.614 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.189 -2.861 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.407 -1.165 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.276 0.368 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.661 -1.139 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.270 -4.292 8.874 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.054 -3.112 8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.911 -2.860 9.868 1.00 0.00 H new ATOM 223 N GLN A 17 -3.891 1.882 9.729 1.00 0.00 N ATOM 224 CA GLN A 17 -3.834 3.336 9.642 1.00 0.00 C ATOM 225 C GLN A 17 -2.932 3.778 8.495 1.00 0.00 C ATOM 226 O GLN A 17 -1.902 3.159 8.227 1.00 0.00 O ATOM 227 CB GLN A 17 -3.330 3.927 10.960 1.00 0.00 C ATOM 228 CG GLN A 17 -3.161 5.438 10.924 1.00 0.00 C ATOM 229 CD GLN A 17 -3.315 6.075 12.291 1.00 0.00 C ATOM 230 OE1 GLN A 17 -3.641 5.402 13.269 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.079 7.380 12.365 1.00 0.00 N ATOM 0 H GLN A 17 -3.070 1.452 10.156 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.842 3.703 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.028 3.667 11.756 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.374 3.469 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.177 5.680 10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.897 5.866 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.811 7.898 11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.166 7.864 13.259 1.00 0.00 H new ATOM 240 N PHE A 18 -3.326 4.853 7.819 1.00 0.00 N ATOM 241 CA PHE A 18 -2.554 5.377 6.699 1.00 0.00 C ATOM 242 C PHE A 18 -2.223 6.852 6.909 1.00 0.00 C ATOM 243 O PHE A 18 -3.109 7.707 6.885 1.00 0.00 O ATOM 244 CB PHE A 18 -3.327 5.198 5.391 1.00 0.00 C ATOM 245 CG PHE A 18 -3.685 3.769 5.098 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.762 3.167 5.729 1.00 0.00 C ATOM 247 CD2 PHE A 18 -2.946 3.028 4.190 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.094 1.852 5.462 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.274 1.713 3.918 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.349 1.124 4.555 1.00 0.00 C ATOM 0 H PHE A 18 -4.175 5.378 8.028 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.620 4.818 6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.240 5.792 5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.729 5.591 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.349 3.732 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.104 3.483 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.935 1.394 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.690 1.146 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.606 0.096 4.344 1.00 0.00 H new ATOM 260 N ARG A 19 -0.943 7.141 7.116 1.00 0.00 N ATOM 261 CA ARG A 19 -0.495 8.512 7.333 1.00 0.00 C ATOM 262 C ARG A 19 -0.080 9.163 6.016 1.00 0.00 C ATOM 263 O ARG A 19 0.379 8.487 5.095 1.00 0.00 O ATOM 264 CB ARG A 19 0.675 8.539 8.318 1.00 0.00 C ATOM 265 CG ARG A 19 0.398 7.795 9.614 1.00 0.00 C ATOM 266 CD ARG A 19 1.117 8.437 10.790 1.00 0.00 C ATOM 267 NE ARG A 19 2.529 8.675 10.504 1.00 0.00 N ATOM 268 CZ ARG A 19 3.255 9.607 11.112 1.00 0.00 C ATOM 269 NH1 ARG A 19 2.705 10.383 12.035 1.00 0.00 N ATOM 270 NH2 ARG A 19 4.534 9.763 10.797 1.00 0.00 N ATOM 0 H ARG A 19 -0.198 6.445 7.138 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.327 9.078 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.552 8.103 7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.920 9.576 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.675 7.782 9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.716 6.757 9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.633 9.382 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.028 7.793 11.665 1.00 0.00 H new ATOM 0 HE ARG A 19 2.983 8.094 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.722 10.266 12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.265 11.098 12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.961 9.167 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.091 10.479 11.264 1.00 0.00 H new ATOM 284 N LEU A 20 -0.247 10.478 5.935 1.00 0.00 N ATOM 285 CA LEU A 20 0.110 11.221 4.731 1.00 0.00 C ATOM 286 C LEU A 20 1.251 12.194 5.009 1.00 0.00 C ATOM 287 O LEU A 20 1.446 12.655 6.134 1.00 0.00 O ATOM 288 CB LEU A 20 -1.106 11.982 4.199 1.00 0.00 C ATOM 289 CG LEU A 20 -2.208 11.131 3.568 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.436 11.978 3.274 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.703 10.462 2.297 1.00 0.00 C ATOM 0 H LEU A 20 -0.627 11.052 6.688 1.00 0.00 H new ATOM 0 HA LEU A 20 0.442 10.506 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.540 12.552 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.762 12.703 3.457 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.490 10.353 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.209 11.354 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.811 12.409 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.169 12.778 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.500 9.860 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.392 11.225 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.854 9.821 2.536 1.00 0.00 H new ATOM 303 N PRO A 21 2.024 12.516 3.961 1.00 0.00 N ATOM 304 CA PRO A 21 3.157 13.439 4.067 1.00 0.00 C ATOM 305 C PRO A 21 2.713 14.878 4.306 1.00 0.00 C ATOM 306 O PRO A 21 3.538 15.788 4.381 1.00 0.00 O ATOM 307 CB PRO A 21 3.847 13.311 2.706 1.00 0.00 C ATOM 308 CG PRO A 21 2.771 12.868 1.776 1.00 0.00 C ATOM 309 CD PRO A 21 1.849 12.003 2.592 1.00 0.00 C ATOM 0 HA PRO A 21 3.802 13.197 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.277 14.261 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.662 12.588 2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.238 13.723 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.186 12.312 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.815 12.091 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.118 10.949 2.520 1.00 0.00 H new ATOM 317 N ASP A 22 1.405 15.076 4.424 1.00 0.00 N ATOM 318 CA ASP A 22 0.850 16.405 4.657 1.00 0.00 C ATOM 319 C ASP A 22 0.568 16.624 6.140 1.00 0.00 C ATOM 320 O ASP A 22 0.899 17.671 6.696 1.00 0.00 O ATOM 321 CB ASP A 22 -0.434 16.593 3.847 1.00 0.00 C ATOM 322 CG ASP A 22 -0.160 17.036 2.423 1.00 0.00 C ATOM 323 OD1 ASP A 22 0.805 16.525 1.819 1.00 0.00 O ATOM 324 OD2 ASP A 22 -0.912 17.893 1.913 1.00 0.00 O ATOM 0 H ASP A 22 0.709 14.333 4.362 1.00 0.00 H new ATOM 0 HA ASP A 22 1.586 17.141 4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.991 15.656 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.066 17.332 4.339 1.00 0.00 H new ATOM 329 N GLY A 23 -0.046 15.630 6.774 1.00 0.00 N ATOM 330 CA GLY A 23 -0.363 15.735 8.186 1.00 0.00 C ATOM 331 C GLY A 23 -1.567 14.900 8.574 1.00 0.00 C ATOM 332 O GLY A 23 -1.576 14.263 9.627 1.00 0.00 O ATOM 0 H GLY A 23 -0.330 14.754 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.499 15.419 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.553 16.779 8.436 1.00 0.00 H new ATOM 336 N SER A 24 -2.587 14.903 7.721 1.00 0.00 N ATOM 337 CA SER A 24 -3.804 14.144 7.982 1.00 0.00 C ATOM 338 C SER A 24 -3.583 12.657 7.722 1.00 0.00 C ATOM 339 O SER A 24 -2.587 12.263 7.115 1.00 0.00 O ATOM 340 CB SER A 24 -4.950 14.662 7.111 1.00 0.00 C ATOM 341 OG SER A 24 -6.198 14.161 7.560 1.00 0.00 O ATOM 0 H SER A 24 -2.594 15.423 6.843 1.00 0.00 H new ATOM 0 HA SER A 24 -4.067 14.276 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.963 15.752 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.787 14.365 6.075 1.00 0.00 H new ATOM 0 HG SER A 24 -6.914 14.508 6.988 1.00 0.00 H new ATOM 347 N SER A 25 -4.521 11.836 8.185 1.00 0.00 N ATOM 348 CA SER A 25 -4.428 10.392 8.006 1.00 0.00 C ATOM 349 C SER A 25 -5.814 9.754 8.009 1.00 0.00 C ATOM 350 O SER A 25 -6.798 10.381 8.402 1.00 0.00 O ATOM 351 CB SER A 25 -3.568 9.774 9.109 1.00 0.00 C ATOM 352 OG SER A 25 -4.002 10.194 10.391 1.00 0.00 O ATOM 0 H SER A 25 -5.353 12.146 8.686 1.00 0.00 H new ATOM 0 HA SER A 25 -3.960 10.200 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.614 8.687 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.526 10.058 8.964 1.00 0.00 H new ATOM 0 HG SER A 25 -3.437 9.783 11.078 1.00 0.00 H new ATOM 358 N PHE A 26 -5.884 8.503 7.567 1.00 0.00 N ATOM 359 CA PHE A 26 -7.149 7.779 7.518 1.00 0.00 C ATOM 360 C PHE A 26 -6.941 6.299 7.827 1.00 0.00 C ATOM 361 O PHE A 26 -6.074 5.646 7.244 1.00 0.00 O ATOM 362 CB PHE A 26 -7.798 7.938 6.141 1.00 0.00 C ATOM 363 CG PHE A 26 -6.887 7.577 5.003 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.664 6.250 4.671 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.252 8.564 4.267 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.826 5.914 3.624 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.414 8.234 3.218 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.200 6.908 2.897 1.00 0.00 C ATOM 0 H PHE A 26 -5.080 7.969 7.238 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.810 8.200 8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.690 7.313 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.126 8.970 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.151 5.469 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.413 9.603 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.661 4.876 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.927 9.013 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.544 6.649 2.079 1.00 0.00 H new ATOM 378 N THR A 27 -7.743 5.775 8.749 1.00 0.00 N ATOM 379 CA THR A 27 -7.647 4.373 9.137 1.00 0.00 C ATOM 380 C THR A 27 -8.870 3.589 8.674 1.00 0.00 C ATOM 381 O THR A 27 -9.970 3.776 9.191 1.00 0.00 O ATOM 382 CB THR A 27 -7.502 4.222 10.663 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.467 5.087 11.145 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.181 2.783 11.037 1.00 0.00 C ATOM 0 H THR A 27 -8.466 6.300 9.241 1.00 0.00 H new ATOM 0 HA THR A 27 -6.757 3.971 8.653 1.00 0.00 H new ATOM 0 HB THR A 27 -8.450 4.498 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.382 4.986 12.116 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.083 2.702 12.120 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.984 2.130 10.695 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.245 2.484 10.565 1.00 0.00 H new ATOM 392 N ASN A 28 -8.668 2.711 7.697 1.00 0.00 N ATOM 393 CA ASN A 28 -9.756 1.898 7.165 1.00 0.00 C ATOM 394 C ASN A 28 -9.867 0.577 7.920 1.00 0.00 C ATOM 395 O ASN A 28 -9.028 0.260 8.762 1.00 0.00 O ATOM 396 CB ASN A 28 -9.537 1.630 5.674 1.00 0.00 C ATOM 397 CG ASN A 28 -10.746 0.990 5.019 1.00 0.00 C ATOM 398 OD1 ASN A 28 -10.839 -0.234 4.923 1.00 0.00 O ATOM 399 ND2 ASN A 28 -11.679 1.818 4.563 1.00 0.00 N ATOM 0 H ASN A 28 -7.763 2.544 7.258 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.687 2.450 7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.307 2.568 5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.672 0.980 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.515 1.446 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.560 2.826 4.664 1.00 0.00 H new ATOM 406 N GLN A 29 -10.908 -0.190 7.610 1.00 0.00 N ATOM 407 CA GLN A 29 -11.128 -1.477 8.259 1.00 0.00 C ATOM 408 C GLN A 29 -11.111 -2.611 7.239 1.00 0.00 C ATOM 409 O GLN A 29 -11.920 -2.637 6.311 1.00 0.00 O ATOM 410 CB GLN A 29 -12.461 -1.471 9.010 1.00 0.00 C ATOM 411 CG GLN A 29 -12.357 -0.931 10.428 1.00 0.00 C ATOM 412 CD GLN A 29 -13.668 -0.361 10.932 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.021 0.779 10.628 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.399 -1.153 11.708 1.00 0.00 N ATOM 0 H GLN A 29 -11.611 0.058 6.914 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.318 -1.640 8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.180 -0.870 8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.854 -2.487 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.032 -1.730 11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.591 -0.156 10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.069 -2.091 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.291 -0.823 12.077 1.00 0.00 H new ATOM 423 N PHE A 30 -10.184 -3.546 7.417 1.00 0.00 N ATOM 424 CA PHE A 30 -10.061 -4.682 6.512 1.00 0.00 C ATOM 425 C PHE A 30 -10.100 -5.999 7.283 1.00 0.00 C ATOM 426 O PHE A 30 -9.730 -6.072 8.455 1.00 0.00 O ATOM 427 CB PHE A 30 -8.760 -4.585 5.712 1.00 0.00 C ATOM 428 CG PHE A 30 -8.534 -3.234 5.097 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.096 -2.913 3.871 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.760 -2.284 5.744 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.890 -1.670 3.302 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.551 -1.039 5.180 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.116 -0.733 3.957 1.00 0.00 C ATOM 0 H PHE A 30 -9.507 -3.539 8.180 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.906 -4.659 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.922 -4.822 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.771 -5.337 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.702 -3.643 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.315 -2.519 6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.334 -1.432 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.947 -0.307 5.695 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.952 0.238 3.514 1.00 0.00 H new ATOM 443 N PRO A 31 -10.559 -7.064 6.610 1.00 0.00 N ATOM 444 CA PRO A 31 -10.658 -8.398 7.211 1.00 0.00 C ATOM 445 C PRO A 31 -9.290 -9.023 7.462 1.00 0.00 C ATOM 446 O PRO A 31 -8.430 -9.033 6.582 1.00 0.00 O ATOM 447 CB PRO A 31 -11.430 -9.203 6.162 1.00 0.00 C ATOM 448 CG PRO A 31 -11.154 -8.509 4.873 1.00 0.00 C ATOM 449 CD PRO A 31 -11.017 -7.050 5.210 1.00 0.00 C ATOM 0 HA PRO A 31 -11.141 -8.371 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.095 -10.240 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.497 -9.219 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.243 -8.890 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.964 -8.671 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.299 -6.553 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.965 -6.522 5.103 1.00 0.00 H new ATOM 457 N SER A 32 -9.096 -9.545 8.669 1.00 0.00 N ATOM 458 CA SER A 32 -7.831 -10.170 9.037 1.00 0.00 C ATOM 459 C SER A 32 -7.268 -10.982 7.875 1.00 0.00 C ATOM 460 O SER A 32 -6.058 -11.191 7.778 1.00 0.00 O ATOM 461 CB SER A 32 -8.019 -11.070 10.260 1.00 0.00 C ATOM 462 OG SER A 32 -8.747 -12.239 9.925 1.00 0.00 O ATOM 0 H SER A 32 -9.799 -9.547 9.408 1.00 0.00 H new ATOM 0 HA SER A 32 -7.121 -9.380 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.046 -11.347 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.545 -10.522 11.042 1.00 0.00 H new ATOM 0 HG SER A 32 -8.852 -12.799 10.723 1.00 0.00 H new ATOM 468 N ASP A 33 -8.153 -11.436 6.996 1.00 0.00 N ATOM 469 CA ASP A 33 -7.746 -12.225 5.839 1.00 0.00 C ATOM 470 C ASP A 33 -7.228 -11.324 4.722 1.00 0.00 C ATOM 471 O ASP A 33 -6.225 -11.630 4.079 1.00 0.00 O ATOM 472 CB ASP A 33 -8.917 -13.066 5.330 1.00 0.00 C ATOM 473 CG ASP A 33 -10.140 -12.226 5.015 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.077 -11.420 4.062 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.159 -12.375 5.720 1.00 0.00 O ATOM 0 H ASP A 33 -9.157 -11.272 7.062 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.940 -12.890 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.610 -13.606 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.177 -13.813 6.080 1.00 0.00 H new ATOM 480 N ALA A 34 -7.920 -10.212 4.497 1.00 0.00 N ATOM 481 CA ALA A 34 -7.529 -9.266 3.459 1.00 0.00 C ATOM 482 C ALA A 34 -6.012 -9.124 3.388 1.00 0.00 C ATOM 483 O ALA A 34 -5.342 -8.858 4.386 1.00 0.00 O ATOM 484 CB ALA A 34 -8.176 -7.911 3.709 1.00 0.00 C ATOM 0 H ALA A 34 -8.754 -9.944 5.019 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.877 -9.652 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.875 -7.214 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.261 -8.019 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.856 -7.528 4.678 1.00 0.00 H new ATOM 490 N PRO A 35 -5.456 -9.307 2.181 1.00 0.00 N ATOM 491 CA PRO A 35 -4.012 -9.205 1.951 1.00 0.00 C ATOM 492 C PRO A 35 -3.505 -7.772 2.076 1.00 0.00 C ATOM 493 O PRO A 35 -4.197 -6.823 1.704 1.00 0.00 O ATOM 494 CB PRO A 35 -3.845 -9.708 0.515 1.00 0.00 C ATOM 495 CG PRO A 35 -5.163 -9.452 -0.132 1.00 0.00 C ATOM 496 CD PRO A 35 -6.195 -9.627 0.948 1.00 0.00 C ATOM 0 HA PRO A 35 -3.441 -9.773 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.042 -9.179 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.593 -10.768 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.203 -8.447 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.336 -10.147 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.045 -8.959 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.588 -10.643 0.967 1.00 0.00 H new ATOM 504 N LEU A 36 -2.294 -7.622 2.601 1.00 0.00 N ATOM 505 CA LEU A 36 -1.694 -6.304 2.775 1.00 0.00 C ATOM 506 C LEU A 36 -2.032 -5.392 1.600 1.00 0.00 C ATOM 507 O LEU A 36 -2.339 -4.215 1.784 1.00 0.00 O ATOM 508 CB LEU A 36 -0.176 -6.428 2.918 1.00 0.00 C ATOM 509 CG LEU A 36 0.533 -5.255 3.596 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.042 -5.426 3.519 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.110 -3.938 2.961 1.00 0.00 C ATOM 0 H LEU A 36 -1.708 -8.397 2.913 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.104 -5.863 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.043 -7.334 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.253 -6.560 1.925 1.00 0.00 H new ATOM 0 HG LEU A 36 0.244 -5.239 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.529 -4.582 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.330 -6.350 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.350 -5.469 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.624 -3.114 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.370 -3.945 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.967 -3.811 3.070 1.00 0.00 H new ATOM 523 N GLU A 37 -1.976 -5.946 0.392 1.00 0.00 N ATOM 524 CA GLU A 37 -2.279 -5.182 -0.812 1.00 0.00 C ATOM 525 C GLU A 37 -3.529 -4.330 -0.617 1.00 0.00 C ATOM 526 O GLU A 37 -3.543 -3.145 -0.947 1.00 0.00 O ATOM 527 CB GLU A 37 -2.470 -6.122 -2.005 1.00 0.00 C ATOM 528 CG GLU A 37 -2.727 -5.398 -3.315 1.00 0.00 C ATOM 529 CD GLU A 37 -3.413 -6.278 -4.343 1.00 0.00 C ATOM 530 OE1 GLU A 37 -4.452 -6.882 -4.008 1.00 0.00 O ATOM 531 OE2 GLU A 37 -2.909 -6.360 -5.483 1.00 0.00 O ATOM 0 H GLU A 37 -1.724 -6.920 0.222 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.437 -4.519 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.582 -6.745 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.306 -6.791 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.343 -4.519 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.780 -5.042 -3.721 1.00 0.00 H new ATOM 538 N GLU A 38 -4.578 -4.944 -0.078 1.00 0.00 N ATOM 539 CA GLU A 38 -5.834 -4.242 0.160 1.00 0.00 C ATOM 540 C GLU A 38 -5.580 -2.851 0.732 1.00 0.00 C ATOM 541 O GLU A 38 -6.245 -1.884 0.361 1.00 0.00 O ATOM 542 CB GLU A 38 -6.719 -5.045 1.116 1.00 0.00 C ATOM 543 CG GLU A 38 -7.535 -6.126 0.427 1.00 0.00 C ATOM 544 CD GLU A 38 -8.220 -5.627 -0.831 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.908 -4.587 -0.761 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.068 -6.278 -1.886 1.00 0.00 O ATOM 0 H GLU A 38 -4.583 -5.925 0.202 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.347 -4.134 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.091 -5.506 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.396 -4.363 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.883 -6.962 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.286 -6.506 1.119 1.00 0.00 H new ATOM 553 N ALA A 39 -4.612 -2.758 1.638 1.00 0.00 N ATOM 554 CA ALA A 39 -4.269 -1.486 2.261 1.00 0.00 C ATOM 555 C ALA A 39 -3.643 -0.531 1.250 1.00 0.00 C ATOM 556 O ALA A 39 -3.849 0.681 1.317 1.00 0.00 O ATOM 557 CB ALA A 39 -3.324 -1.710 3.432 1.00 0.00 C ATOM 0 H ALA A 39 -4.052 -3.549 1.957 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.188 -1.031 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.076 -0.751 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.806 -2.350 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.412 -2.190 3.077 1.00 0.00 H new ATOM 563 N ARG A 40 -2.879 -1.084 0.314 1.00 0.00 N ATOM 564 CA ARG A 40 -2.223 -0.281 -0.710 1.00 0.00 C ATOM 565 C ARG A 40 -3.234 0.229 -1.733 1.00 0.00 C ATOM 566 O ARG A 40 -3.236 1.409 -2.082 1.00 0.00 O ATOM 567 CB ARG A 40 -1.139 -1.099 -1.414 1.00 0.00 C ATOM 568 CG ARG A 40 -0.025 -0.252 -2.007 1.00 0.00 C ATOM 569 CD ARG A 40 1.121 -1.115 -2.513 1.00 0.00 C ATOM 570 NE ARG A 40 2.371 -0.365 -2.606 1.00 0.00 N ATOM 571 CZ ARG A 40 2.707 0.377 -3.655 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.890 0.468 -4.696 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.861 1.031 -3.665 1.00 0.00 N ATOM 0 H ARG A 40 -2.699 -2.086 0.244 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.762 0.577 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.708 -1.804 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.598 -1.688 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.420 0.348 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.346 0.443 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.257 -1.965 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.866 -1.518 -3.493 1.00 0.00 H new ATOM 0 HE ARG A 40 3.022 -0.414 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.001 -0.033 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.150 1.039 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.492 0.964 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.118 1.600 -4.471 1.00 0.00 H new ATOM 587 N GLN A 41 -4.091 -0.668 -2.208 1.00 0.00 N ATOM 588 CA GLN A 41 -5.106 -0.309 -3.191 1.00 0.00 C ATOM 589 C GLN A 41 -6.083 0.711 -2.616 1.00 0.00 C ATOM 590 O GLN A 41 -6.435 1.690 -3.276 1.00 0.00 O ATOM 591 CB GLN A 41 -5.864 -1.555 -3.652 1.00 0.00 C ATOM 592 CG GLN A 41 -7.043 -1.914 -2.761 1.00 0.00 C ATOM 593 CD GLN A 41 -7.838 -3.091 -3.292 1.00 0.00 C ATOM 594 OE1 GLN A 41 -9.061 -3.023 -3.416 1.00 0.00 O ATOM 595 NE2 GLN A 41 -7.146 -4.179 -3.609 1.00 0.00 N ATOM 0 H GLN A 41 -4.103 -1.649 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.603 0.139 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.223 -1.396 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.174 -2.398 -3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.680 -2.148 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.700 -1.049 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.133 -4.192 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.627 -5.002 -3.971 1.00 0.00 H new ATOM 604 N PHE A 42 -6.520 0.476 -1.383 1.00 0.00 N ATOM 605 CA PHE A 42 -7.458 1.374 -0.720 1.00 0.00 C ATOM 606 C PHE A 42 -6.914 2.800 -0.686 1.00 0.00 C ATOM 607 O PHE A 42 -7.545 3.728 -1.190 1.00 0.00 O ATOM 608 CB PHE A 42 -7.741 0.890 0.704 1.00 0.00 C ATOM 609 CG PHE A 42 -8.182 1.985 1.633 1.00 0.00 C ATOM 610 CD1 PHE A 42 -9.393 2.628 1.440 1.00 0.00 C ATOM 611 CD2 PHE A 42 -7.385 2.370 2.699 1.00 0.00 C ATOM 612 CE1 PHE A 42 -9.803 3.636 2.293 1.00 0.00 C ATOM 613 CE2 PHE A 42 -7.789 3.376 3.555 1.00 0.00 C ATOM 614 CZ PHE A 42 -8.999 4.011 3.352 1.00 0.00 C ATOM 0 H PHE A 42 -6.239 -0.329 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.388 1.372 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.512 0.120 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.842 0.424 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.025 2.339 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.437 1.878 2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.750 4.129 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.159 3.666 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.316 4.799 4.020 1.00 0.00 H new ATOM 624 N ALA A 43 -5.739 2.964 -0.087 1.00 0.00 N ATOM 625 CA ALA A 43 -5.110 4.275 0.013 1.00 0.00 C ATOM 626 C ALA A 43 -5.068 4.969 -1.345 1.00 0.00 C ATOM 627 O ALA A 43 -5.155 6.193 -1.430 1.00 0.00 O ATOM 628 CB ALA A 43 -3.706 4.144 0.584 1.00 0.00 C ATOM 0 H ALA A 43 -5.204 2.206 0.336 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.709 4.888 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.248 5.131 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.757 3.697 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.106 3.510 -0.068 1.00 0.00 H new ATOM 634 N ALA A 44 -4.933 4.177 -2.404 1.00 0.00 N ATOM 635 CA ALA A 44 -4.881 4.716 -3.758 1.00 0.00 C ATOM 636 C ALA A 44 -6.242 5.251 -4.189 1.00 0.00 C ATOM 637 O ALA A 44 -6.328 6.206 -4.960 1.00 0.00 O ATOM 638 CB ALA A 44 -4.398 3.650 -4.731 1.00 0.00 C ATOM 0 H ALA A 44 -4.858 3.161 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.175 5.547 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.364 4.065 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.401 3.318 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.083 2.802 -4.711 1.00 0.00 H new ATOM 644 N GLN A 45 -7.304 4.628 -3.687 1.00 0.00 N ATOM 645 CA GLN A 45 -8.661 5.041 -4.022 1.00 0.00 C ATOM 646 C GLN A 45 -8.978 6.407 -3.422 1.00 0.00 C ATOM 647 O GLN A 45 -9.843 7.130 -3.917 1.00 0.00 O ATOM 648 CB GLN A 45 -9.670 4.006 -3.523 1.00 0.00 C ATOM 649 CG GLN A 45 -9.978 2.918 -4.540 1.00 0.00 C ATOM 650 CD GLN A 45 -10.590 1.684 -3.906 1.00 0.00 C ATOM 651 OE1 GLN A 45 -10.530 1.501 -2.690 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.185 0.829 -4.730 1.00 0.00 N ATOM 0 H GLN A 45 -7.250 3.836 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.733 5.115 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.285 3.544 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.596 4.514 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.661 3.312 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.060 2.639 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.211 1.020 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.616 -0.019 -4.361 1.00 0.00 H new ATOM 661 N THR A 46 -8.272 6.755 -2.350 1.00 0.00 N ATOM 662 CA THR A 46 -8.479 8.033 -1.681 1.00 0.00 C ATOM 663 C THR A 46 -7.481 9.077 -2.169 1.00 0.00 C ATOM 664 O THR A 46 -7.847 10.219 -2.446 1.00 0.00 O ATOM 665 CB THR A 46 -8.353 7.894 -0.152 1.00 0.00 C ATOM 666 OG1 THR A 46 -9.401 7.060 0.352 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.413 9.256 0.522 1.00 0.00 C ATOM 0 H THR A 46 -7.552 6.169 -1.927 1.00 0.00 H new ATOM 0 HA THR A 46 -9.490 8.358 -1.927 1.00 0.00 H new ATOM 0 HB THR A 46 -7.388 7.438 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.313 6.975 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.322 9.132 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.596 9.878 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.364 9.735 0.291 1.00 0.00 H new ATOM 675 N VAL A 47 -6.217 8.678 -2.272 1.00 0.00 N ATOM 676 CA VAL A 47 -5.165 9.579 -2.729 1.00 0.00 C ATOM 677 C VAL A 47 -4.772 9.279 -4.171 1.00 0.00 C ATOM 678 O VAL A 47 -3.636 9.517 -4.578 1.00 0.00 O ATOM 679 CB VAL A 47 -3.914 9.480 -1.836 1.00 0.00 C ATOM 680 CG1 VAL A 47 -4.272 9.754 -0.383 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.262 8.114 -1.984 1.00 0.00 C ATOM 0 H VAL A 47 -5.897 7.737 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.566 10.591 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.198 10.236 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.376 9.680 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.691 10.756 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.006 9.023 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.380 8.061 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.970 7.339 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.969 7.961 -3.023 1.00 0.00 H new ATOM 691 N GLY A 48 -5.722 8.755 -4.940 1.00 0.00 N ATOM 692 CA GLY A 48 -5.456 8.431 -6.330 1.00 0.00 C ATOM 693 C GLY A 48 -4.968 9.629 -7.121 1.00 0.00 C ATOM 694 O GLY A 48 -5.637 10.660 -7.175 1.00 0.00 O ATOM 0 H GLY A 48 -6.670 8.549 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.709 7.639 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.364 8.042 -6.789 1.00 0.00 H new ATOM 698 N ASN A 49 -3.798 9.493 -7.736 1.00 0.00 N ATOM 699 CA ASN A 49 -3.220 10.573 -8.527 1.00 0.00 C ATOM 700 C ASN A 49 -2.867 11.766 -7.643 1.00 0.00 C ATOM 701 O ASN A 49 -3.097 12.918 -8.013 1.00 0.00 O ATOM 702 CB ASN A 49 -4.195 11.008 -9.623 1.00 0.00 C ATOM 703 CG ASN A 49 -4.715 9.836 -10.432 1.00 0.00 C ATOM 704 OD1 ASN A 49 -5.837 9.374 -10.224 1.00 0.00 O ATOM 705 ND2 ASN A 49 -3.900 9.350 -11.361 1.00 0.00 N ATOM 0 H ASN A 49 -3.231 8.645 -7.702 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.305 10.202 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.035 11.535 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.698 11.714 -10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.196 8.562 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.978 9.765 -11.498 1.00 0.00 H new ATOM 712 N THR A 50 -2.305 11.481 -6.472 1.00 0.00 N ATOM 713 CA THR A 50 -1.920 12.528 -5.534 1.00 0.00 C ATOM 714 C THR A 50 -0.422 12.493 -5.255 1.00 0.00 C ATOM 715 O THR A 50 0.243 13.529 -5.253 1.00 0.00 O ATOM 716 CB THR A 50 -2.683 12.398 -4.202 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.046 12.039 -4.451 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.631 13.701 -3.419 1.00 0.00 C ATOM 0 H THR A 50 -2.106 10.533 -6.151 1.00 0.00 H new ATOM 0 HA THR A 50 -2.177 13.479 -6.000 1.00 0.00 H new ATOM 0 HB THR A 50 -2.205 11.618 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.591 12.263 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.176 13.585 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.593 13.956 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.086 14.498 -4.008 1.00 0.00 H new ATOM 726 N TYR A 51 0.103 11.295 -5.020 1.00 0.00 N ATOM 727 CA TYR A 51 1.523 11.125 -4.738 1.00 0.00 C ATOM 728 C TYR A 51 2.176 10.206 -5.765 1.00 0.00 C ATOM 729 O TYR A 51 3.187 9.563 -5.486 1.00 0.00 O ATOM 730 CB TYR A 51 1.720 10.558 -3.331 1.00 0.00 C ATOM 731 CG TYR A 51 0.896 11.258 -2.274 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.372 12.397 -1.635 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.359 10.781 -1.914 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.622 13.040 -0.669 1.00 0.00 C ATOM 735 CE2 TYR A 51 -1.116 11.418 -0.951 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.621 12.547 -0.331 1.00 0.00 C ATOM 737 OH TYR A 51 -1.371 13.184 0.631 1.00 0.00 O ATOM 0 H TYR A 51 -0.434 10.428 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 51 1.999 12.103 -4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.464 9.499 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.774 10.630 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.345 12.786 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.749 9.897 -2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.007 13.923 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.090 11.035 -0.685 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.298 12.868 0.586 1.00 0.00 H new ATOM 747 N GLY A 52 1.590 10.150 -6.957 1.00 0.00 N ATOM 748 CA GLY A 52 2.128 9.308 -8.010 1.00 0.00 C ATOM 749 C GLY A 52 2.241 7.856 -7.590 1.00 0.00 C ATOM 750 O GLY A 52 1.239 7.147 -7.510 1.00 0.00 O ATOM 0 H GLY A 52 0.752 10.673 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.489 9.380 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.112 9.677 -8.299 1.00 0.00 H new ATOM 754 N ASN A 53 3.464 7.412 -7.321 1.00 0.00 N ATOM 755 CA ASN A 53 3.704 6.034 -6.910 1.00 0.00 C ATOM 756 C ASN A 53 4.220 5.977 -5.475 1.00 0.00 C ATOM 757 O ASN A 53 5.399 5.716 -5.237 1.00 0.00 O ATOM 758 CB ASN A 53 4.709 5.366 -7.851 1.00 0.00 C ATOM 759 CG ASN A 53 4.182 5.246 -9.268 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.046 5.625 -9.554 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.007 4.717 -10.163 1.00 0.00 N ATOM 0 H ASN A 53 4.305 7.987 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 53 2.757 5.496 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.634 5.942 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.954 4.374 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.708 4.611 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.940 4.416 -9.881 1.00 0.00 H new ATOM 768 N PHE A 54 3.327 6.222 -4.521 1.00 0.00 N ATOM 769 CA PHE A 54 3.691 6.199 -3.109 1.00 0.00 C ATOM 770 C PHE A 54 3.902 4.767 -2.625 1.00 0.00 C ATOM 771 O PHE A 54 3.521 3.810 -3.299 1.00 0.00 O ATOM 772 CB PHE A 54 2.607 6.878 -2.270 1.00 0.00 C ATOM 773 CG PHE A 54 1.375 6.039 -2.089 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.398 4.917 -1.275 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.194 6.370 -2.732 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.266 4.142 -1.106 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.942 5.600 -2.566 1.00 0.00 C ATOM 778 CZ PHE A 54 -0.905 4.484 -1.753 1.00 0.00 C ATOM 0 H PHE A 54 2.347 6.439 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 54 4.627 6.745 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.017 7.123 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.329 7.820 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.311 4.645 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.160 7.240 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.297 3.270 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.857 5.871 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.791 3.880 -1.624 1.00 0.00 H new ATOM 788 N SER A 55 4.513 4.629 -1.453 1.00 0.00 N ATOM 789 CA SER A 55 4.779 3.315 -0.879 1.00 0.00 C ATOM 790 C SER A 55 4.214 3.215 0.534 1.00 0.00 C ATOM 791 O SER A 55 3.713 4.195 1.087 1.00 0.00 O ATOM 792 CB SER A 55 6.284 3.039 -0.860 1.00 0.00 C ATOM 793 OG SER A 55 6.549 1.651 -0.970 1.00 0.00 O ATOM 0 H SER A 55 4.833 5.411 -0.882 1.00 0.00 H new ATOM 0 HA SER A 55 4.287 2.567 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.765 3.571 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.716 3.423 0.064 1.00 0.00 H new ATOM 0 HG SER A 55 7.517 1.501 -0.957 1.00 0.00 H new ATOM 799 N LEU A 56 4.298 2.022 1.114 1.00 0.00 N ATOM 800 CA LEU A 56 3.795 1.791 2.464 1.00 0.00 C ATOM 801 C LEU A 56 4.893 1.237 3.367 1.00 0.00 C ATOM 802 O LEU A 56 5.679 0.386 2.953 1.00 0.00 O ATOM 803 CB LEU A 56 2.611 0.824 2.430 1.00 0.00 C ATOM 804 CG LEU A 56 1.343 1.340 1.749 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.264 0.268 1.748 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.843 2.602 2.436 1.00 0.00 C ATOM 0 H LEU A 56 4.709 1.201 0.671 1.00 0.00 H new ATOM 0 HA LEU A 56 3.464 2.747 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.927 -0.088 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.363 0.549 3.455 1.00 0.00 H new ATOM 0 HG LEU A 56 1.584 1.586 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.631 0.653 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.623 -0.609 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.026 -0.009 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.060 2.954 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.619 2.384 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.611 3.374 2.383 1.00 0.00 H new ATOM 818 N ALA A 57 4.939 1.724 4.602 1.00 0.00 N ATOM 819 CA ALA A 57 5.937 1.275 5.564 1.00 0.00 C ATOM 820 C ALA A 57 5.372 1.272 6.981 1.00 0.00 C ATOM 821 O ALA A 57 4.279 1.783 7.226 1.00 0.00 O ATOM 822 CB ALA A 57 7.176 2.155 5.490 1.00 0.00 C ATOM 0 H ALA A 57 4.296 2.430 4.960 1.00 0.00 H new ATOM 0 HA ALA A 57 6.216 0.252 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.913 1.808 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.600 2.103 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.904 3.186 5.715 1.00 0.00 H new ATOM 828 N THR A 58 6.124 0.691 7.911 1.00 0.00 N ATOM 829 CA THR A 58 5.697 0.620 9.303 1.00 0.00 C ATOM 830 C THR A 58 6.014 1.915 10.043 1.00 0.00 C ATOM 831 O THR A 58 6.471 2.887 9.442 1.00 0.00 O ATOM 832 CB THR A 58 6.370 -0.555 10.037 1.00 0.00 C ATOM 833 OG1 THR A 58 7.794 -0.409 9.994 1.00 0.00 O ATOM 834 CG2 THR A 58 5.973 -1.883 9.411 1.00 0.00 C ATOM 0 H THR A 58 7.031 0.263 7.725 1.00 0.00 H new ATOM 0 HA THR A 58 4.618 0.465 9.295 1.00 0.00 H new ATOM 0 HB THR A 58 6.035 -0.546 11.074 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.201 -1.252 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.461 -2.698 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.892 -2.005 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.282 -1.899 8.366 1.00 0.00 H new ATOM 842 N MET A 59 5.769 1.920 11.349 1.00 0.00 N ATOM 843 CA MET A 59 6.031 3.096 12.170 1.00 0.00 C ATOM 844 C MET A 59 6.962 2.753 13.329 1.00 0.00 C ATOM 845 O MET A 59 7.930 3.467 13.593 1.00 0.00 O ATOM 846 CB MET A 59 4.719 3.672 12.707 1.00 0.00 C ATOM 847 CG MET A 59 4.099 4.721 11.799 1.00 0.00 C ATOM 848 SD MET A 59 4.878 6.338 11.973 1.00 0.00 S ATOM 849 CE MET A 59 3.855 7.072 13.246 1.00 0.00 C ATOM 0 H MET A 59 5.390 1.124 11.861 1.00 0.00 H new ATOM 0 HA MET A 59 6.519 3.844 11.545 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.006 2.860 12.849 1.00 0.00 H new ATOM 0 HB3 MET A 59 4.900 4.113 13.687 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.180 4.393 10.763 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.036 4.808 12.024 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.144 8.113 13.389 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.809 7.024 12.945 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.989 6.526 14.180 1.00 0.00 H new ATOM 859 N PHE A 60 6.662 1.658 14.019 1.00 0.00 N ATOM 860 CA PHE A 60 7.471 1.221 15.151 1.00 0.00 C ATOM 861 C PHE A 60 8.846 0.749 14.686 1.00 0.00 C ATOM 862 O PHE A 60 9.868 1.387 14.939 1.00 0.00 O ATOM 863 CB PHE A 60 6.762 0.097 15.909 1.00 0.00 C ATOM 864 CG PHE A 60 5.984 0.576 17.101 1.00 0.00 C ATOM 865 CD1 PHE A 60 6.626 0.851 18.299 1.00 0.00 C ATOM 866 CD2 PHE A 60 4.612 0.752 17.025 1.00 0.00 C ATOM 867 CE1 PHE A 60 5.913 1.292 19.398 1.00 0.00 C ATOM 868 CE2 PHE A 60 3.894 1.193 18.121 1.00 0.00 C ATOM 869 CZ PHE A 60 4.545 1.463 19.309 1.00 0.00 C ATOM 0 H PHE A 60 5.864 1.056 13.814 1.00 0.00 H new ATOM 0 HA PHE A 60 7.605 2.071 15.820 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.086 -0.420 15.228 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.502 -0.632 16.238 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.695 0.719 18.374 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.097 0.542 16.099 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.425 1.503 20.325 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.825 1.326 18.048 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.986 1.807 20.166 1.00 0.00 H new ATOM 879 N PRO A 61 8.873 -0.398 13.991 1.00 0.00 N ATOM 880 CA PRO A 61 10.114 -0.983 13.476 1.00 0.00 C ATOM 881 C PRO A 61 10.713 -0.164 12.338 1.00 0.00 C ATOM 882 O PRO A 61 11.829 -0.428 11.890 1.00 0.00 O ATOM 883 CB PRO A 61 9.676 -2.360 12.972 1.00 0.00 C ATOM 884 CG PRO A 61 8.227 -2.204 12.658 1.00 0.00 C ATOM 885 CD PRO A 61 7.693 -1.211 13.653 1.00 0.00 C ATOM 0 HA PRO A 61 10.893 -1.021 14.238 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.243 -2.658 12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.837 -3.128 13.728 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.085 -1.849 11.637 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.705 -3.157 12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.895 -0.603 13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.281 -1.706 14.532 1.00 0.00 H new ATOM 893 N ARG A 62 9.964 0.831 11.874 1.00 0.00 N ATOM 894 CA ARG A 62 10.420 1.688 10.786 1.00 0.00 C ATOM 895 C ARG A 62 11.100 0.866 9.695 1.00 0.00 C ATOM 896 O ARG A 62 12.228 1.157 9.297 1.00 0.00 O ATOM 897 CB ARG A 62 11.386 2.749 11.316 1.00 0.00 C ATOM 898 CG ARG A 62 11.692 3.850 10.313 1.00 0.00 C ATOM 899 CD ARG A 62 10.421 4.404 9.689 1.00 0.00 C ATOM 900 NE ARG A 62 10.583 5.789 9.255 1.00 0.00 N ATOM 901 CZ ARG A 62 10.451 6.833 10.065 1.00 0.00 C ATOM 902 NH1 ARG A 62 10.157 6.651 11.345 1.00 0.00 N ATOM 903 NH2 ARG A 62 10.614 8.063 9.595 1.00 0.00 N ATOM 0 H ARG A 62 9.039 1.064 12.235 1.00 0.00 H new ATOM 0 HA ARG A 62 9.549 2.181 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.963 3.196 12.216 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.318 2.266 11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.236 4.654 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.343 3.460 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.138 3.788 8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.606 4.343 10.411 1.00 0.00 H new ATOM 0 HE ARG A 62 10.810 5.964 8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.032 5.707 11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.056 7.455 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.841 8.207 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.512 8.865 10.218 1.00 0.00 H new ATOM 917 N ARG A 63 10.405 -0.160 9.216 1.00 0.00 N ATOM 918 CA ARG A 63 10.942 -1.025 8.172 1.00 0.00 C ATOM 919 C ARG A 63 10.030 -1.031 6.948 1.00 0.00 C ATOM 920 O ARG A 63 8.819 -0.847 7.064 1.00 0.00 O ATOM 921 CB ARG A 63 11.113 -2.451 8.699 1.00 0.00 C ATOM 922 CG ARG A 63 12.268 -3.203 8.057 1.00 0.00 C ATOM 923 CD ARG A 63 12.106 -4.707 8.210 1.00 0.00 C ATOM 924 NE ARG A 63 10.912 -5.202 7.530 1.00 0.00 N ATOM 925 CZ ARG A 63 10.777 -6.450 7.097 1.00 0.00 C ATOM 926 NH1 ARG A 63 11.757 -7.326 7.271 1.00 0.00 N ATOM 927 NH2 ARG A 63 9.659 -6.824 6.487 1.00 0.00 N ATOM 0 H ARG A 63 9.469 -0.413 9.534 1.00 0.00 H new ATOM 0 HA ARG A 63 11.916 -0.634 7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.269 -2.415 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.190 -3.005 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.327 -2.948 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.207 -2.889 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.986 -5.209 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.051 -4.960 9.269 1.00 0.00 H new ATOM 0 HE ARG A 63 10.139 -4.553 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.618 -7.042 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.650 -8.284 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.903 -6.153 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.556 -7.783 6.154 1.00 0.00 H new ATOM 941 N GLU A 64 10.622 -1.242 5.777 1.00 0.00 N ATOM 942 CA GLU A 64 9.863 -1.269 4.532 1.00 0.00 C ATOM 943 C GLU A 64 9.414 -2.689 4.200 1.00 0.00 C ATOM 944 O GLU A 64 10.166 -3.648 4.378 1.00 0.00 O ATOM 945 CB GLU A 64 10.703 -0.707 3.384 1.00 0.00 C ATOM 946 CG GLU A 64 9.881 -0.291 2.175 1.00 0.00 C ATOM 947 CD GLU A 64 9.709 -1.414 1.172 1.00 0.00 C ATOM 948 OE1 GLU A 64 10.705 -2.113 0.888 1.00 0.00 O ATOM 949 OE2 GLU A 64 8.580 -1.595 0.670 1.00 0.00 O ATOM 0 H GLU A 64 11.624 -1.397 5.664 1.00 0.00 H new ATOM 0 HA GLU A 64 8.978 -0.647 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.265 0.154 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.431 -1.457 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.900 0.048 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.363 0.556 1.687 1.00 0.00 H new ATOM 956 N PHE A 65 8.183 -2.817 3.717 1.00 0.00 N ATOM 957 CA PHE A 65 7.632 -4.119 3.361 1.00 0.00 C ATOM 958 C PHE A 65 8.282 -4.655 2.089 1.00 0.00 C ATOM 959 O PHE A 65 9.130 -3.997 1.486 1.00 0.00 O ATOM 960 CB PHE A 65 6.117 -4.021 3.170 1.00 0.00 C ATOM 961 CG PHE A 65 5.380 -3.624 4.418 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.054 -4.570 5.377 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.015 -2.305 4.632 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.376 -4.207 6.525 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.337 -1.936 5.779 1.00 0.00 C ATOM 966 CZ PHE A 65 4.018 -2.888 6.727 1.00 0.00 C ATOM 0 H PHE A 65 7.547 -2.034 3.563 1.00 0.00 H new ATOM 0 HA PHE A 65 7.844 -4.810 4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.904 -3.295 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.739 -4.983 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.333 -5.602 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.263 -1.556 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.126 -4.954 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.057 -0.904 5.933 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.490 -2.602 7.625 1.00 0.00 H new ATOM 976 N THR A 66 7.877 -5.856 1.685 1.00 0.00 N ATOM 977 CA THR A 66 8.420 -6.483 0.487 1.00 0.00 C ATOM 978 C THR A 66 7.307 -6.906 -0.465 1.00 0.00 C ATOM 979 O THR A 66 6.128 -6.857 -0.116 1.00 0.00 O ATOM 980 CB THR A 66 9.278 -7.714 0.836 1.00 0.00 C ATOM 981 OG1 THR A 66 9.217 -8.670 -0.228 1.00 0.00 O ATOM 982 CG2 THR A 66 8.801 -8.356 2.130 1.00 0.00 C ATOM 0 H THR A 66 7.174 -6.413 2.171 1.00 0.00 H new ATOM 0 HA THR A 66 9.049 -5.739 -0.002 1.00 0.00 H new ATOM 0 HB THR A 66 10.309 -7.386 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.427 -9.562 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.422 -9.223 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.876 -7.634 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.764 -8.671 2.019 1.00 0.00 H new ATOM 990 N ARG A 67 7.690 -7.322 -1.668 1.00 0.00 N ATOM 991 CA ARG A 67 6.723 -7.754 -2.670 1.00 0.00 C ATOM 992 C ARG A 67 5.944 -8.973 -2.185 1.00 0.00 C ATOM 993 O ARG A 67 4.763 -9.129 -2.491 1.00 0.00 O ATOM 994 CB ARG A 67 7.432 -8.079 -3.986 1.00 0.00 C ATOM 995 CG ARG A 67 8.631 -8.997 -3.822 1.00 0.00 C ATOM 996 CD ARG A 67 9.248 -9.354 -5.165 1.00 0.00 C ATOM 997 NE ARG A 67 9.910 -8.208 -5.784 1.00 0.00 N ATOM 998 CZ ARG A 67 9.280 -7.313 -6.536 1.00 0.00 C ATOM 999 NH1 ARG A 67 7.978 -7.430 -6.761 1.00 0.00 N ATOM 1000 NH2 ARG A 67 9.951 -6.298 -7.065 1.00 0.00 N ATOM 0 H ARG A 67 8.662 -7.369 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 67 6.020 -6.938 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.720 -8.544 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.758 -7.149 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.379 -8.512 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.325 -9.908 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.969 -10.160 -5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.472 -9.729 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 67 10.911 -8.089 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.458 -8.209 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.496 -6.741 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.952 -6.204 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.466 -5.611 -7.642 1.00 0.00 H new ATOM 1014 N GLU A 68 6.616 -9.834 -1.426 1.00 0.00 N ATOM 1015 CA GLU A 68 5.987 -11.040 -0.900 1.00 0.00 C ATOM 1016 C GLU A 68 5.053 -10.705 0.259 1.00 0.00 C ATOM 1017 O GLU A 68 4.061 -11.396 0.491 1.00 0.00 O ATOM 1018 CB GLU A 68 7.051 -12.038 -0.440 1.00 0.00 C ATOM 1019 CG GLU A 68 7.534 -11.801 0.981 1.00 0.00 C ATOM 1020 CD GLU A 68 8.944 -12.311 1.210 1.00 0.00 C ATOM 1021 OE1 GLU A 68 9.900 -11.549 0.955 1.00 0.00 O ATOM 1022 OE2 GLU A 68 9.091 -13.472 1.645 1.00 0.00 O ATOM 0 H GLU A 68 7.595 -9.719 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 68 5.399 -11.490 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.646 -13.047 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.903 -11.986 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.497 -10.734 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.856 -12.293 1.678 1.00 0.00 H new ATOM 1029 N ASP A 69 5.378 -9.640 0.984 1.00 0.00 N ATOM 1030 CA ASP A 69 4.569 -9.212 2.119 1.00 0.00 C ATOM 1031 C ASP A 69 3.125 -8.964 1.695 1.00 0.00 C ATOM 1032 O ASP A 69 2.203 -9.064 2.505 1.00 0.00 O ATOM 1033 CB ASP A 69 5.156 -7.944 2.741 1.00 0.00 C ATOM 1034 CG ASP A 69 6.282 -8.242 3.711 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.600 -9.435 3.903 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.846 -7.283 4.278 1.00 0.00 O ATOM 0 H ASP A 69 6.196 -9.057 0.806 1.00 0.00 H new ATOM 0 HA ASP A 69 4.578 -10.010 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.525 -7.292 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.368 -7.399 3.260 1.00 0.00 H new ATOM 1041 N TYR A 70 2.936 -8.640 0.421 1.00 0.00 N ATOM 1042 CA TYR A 70 1.604 -8.374 -0.110 1.00 0.00 C ATOM 1043 C TYR A 70 0.877 -9.676 -0.434 1.00 0.00 C ATOM 1044 O TYR A 70 -0.342 -9.695 -0.604 1.00 0.00 O ATOM 1045 CB TYR A 70 1.697 -7.504 -1.365 1.00 0.00 C ATOM 1046 CG TYR A 70 2.151 -6.088 -1.087 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.406 -5.247 -0.269 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.323 -5.592 -1.643 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.817 -3.953 -0.013 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.742 -4.300 -1.392 1.00 0.00 C ATOM 1051 CZ TYR A 70 2.985 -3.484 -0.576 1.00 0.00 C ATOM 1052 OH TYR A 70 3.398 -2.196 -0.324 1.00 0.00 O ATOM 0 H TYR A 70 3.688 -8.555 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 70 1.036 -7.841 0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.389 -7.967 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.721 -7.475 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.491 -5.611 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.917 -6.228 -2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.226 -3.312 0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.657 -3.930 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 70 4.240 -2.024 -0.795 1.00 0.00 H new ATOM 1062 N LYS A 71 1.635 -10.764 -0.517 1.00 0.00 N ATOM 1063 CA LYS A 71 1.065 -12.073 -0.818 1.00 0.00 C ATOM 1064 C LYS A 71 0.545 -12.744 0.449 1.00 0.00 C ATOM 1065 O LYS A 71 -0.284 -13.652 0.385 1.00 0.00 O ATOM 1066 CB LYS A 71 2.112 -12.965 -1.488 1.00 0.00 C ATOM 1067 CG LYS A 71 2.721 -12.356 -2.739 1.00 0.00 C ATOM 1068 CD LYS A 71 1.755 -12.408 -3.911 1.00 0.00 C ATOM 1069 CE LYS A 71 2.490 -12.357 -5.242 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.583 -11.986 -6.363 1.00 0.00 N ATOM 0 H LYS A 71 2.646 -10.766 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 71 0.228 -11.929 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.907 -13.177 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.653 -13.919 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.000 -11.321 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.636 -12.890 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.163 -13.322 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.058 -11.572 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.304 -11.635 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.940 -13.329 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.122 -11.962 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.820 -12.689 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.173 -11.048 -6.182 1.00 0.00 H new ATOM 1084 N ARG A 72 1.036 -12.291 1.597 1.00 0.00 N ATOM 1085 CA ARG A 72 0.619 -12.847 2.879 1.00 0.00 C ATOM 1086 C ARG A 72 -0.477 -11.995 3.512 1.00 0.00 C ATOM 1087 O ARG A 72 -0.380 -10.768 3.547 1.00 0.00 O ATOM 1088 CB ARG A 72 1.815 -12.948 3.828 1.00 0.00 C ATOM 1089 CG ARG A 72 2.466 -11.608 4.131 1.00 0.00 C ATOM 1090 CD ARG A 72 3.773 -11.783 4.888 1.00 0.00 C ATOM 1091 NE ARG A 72 4.627 -12.799 4.278 1.00 0.00 N ATOM 1092 CZ ARG A 72 4.558 -14.091 4.576 1.00 0.00 C ATOM 1093 NH1 ARG A 72 3.680 -14.523 5.470 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.370 -14.955 3.979 1.00 0.00 N ATOM 0 H ARG A 72 1.723 -11.540 1.666 1.00 0.00 H new ATOM 0 HA ARG A 72 0.220 -13.846 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.489 -13.404 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.559 -13.614 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.652 -11.074 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.783 -10.995 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.305 -10.832 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.560 -12.061 5.920 1.00 0.00 H new ATOM 0 HE ARG A 72 5.314 -12.500 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.055 -13.862 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.630 -15.516 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.047 -14.626 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.316 -15.947 4.208 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.518 -12.654 4.011 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.632 -11.956 4.641 1.00 0.00 C ATOM 1110 C ARG A 73 -2.133 -10.986 5.708 1.00 0.00 C ATOM 1111 O ARG A 73 -1.018 -11.121 6.213 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.603 -12.961 5.265 1.00 0.00 C ATOM 1113 CG ARG A 73 -4.195 -13.938 4.263 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.959 -15.055 4.958 1.00 0.00 C ATOM 1115 NE ARG A 73 -4.088 -15.875 5.795 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.373 -17.123 6.150 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.499 -17.691 5.743 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -3.529 -17.805 6.914 1.00 0.00 N ATOM 0 H ARG A 73 -1.613 -13.669 3.991 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.153 -11.386 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.083 -13.521 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.413 -12.417 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.863 -13.406 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.398 -14.365 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.751 -14.625 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.441 -15.685 4.210 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.213 -15.468 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.150 -17.170 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.715 -18.649 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.661 -17.371 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.748 -18.763 7.186 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.965 -10.007 6.045 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.609 -9.013 7.051 1.00 0.00 C ATOM 1134 C LEU A 74 -2.268 -9.680 8.380 1.00 0.00 C ATOM 1135 O LEU A 74 -1.153 -9.547 8.885 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.758 -8.021 7.246 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.842 -6.883 6.228 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.234 -6.271 6.226 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.792 -5.823 6.526 1.00 0.00 C ATOM 0 H LEU A 74 -3.891 -9.880 5.636 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.728 -8.476 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.697 -8.574 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.671 -7.586 8.241 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.646 -7.292 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.275 -5.463 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.967 -7.034 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.459 -5.876 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.866 -5.021 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.957 -5.418 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.799 -6.270 6.476 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.234 -10.400 8.939 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.036 -11.092 10.209 1.00 0.00 C ATOM 1153 C LEU A 75 -1.704 -11.835 10.221 1.00 0.00 C ATOM 1154 O LEU A 75 -1.120 -12.066 11.281 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.182 -12.072 10.463 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.994 -13.483 9.905 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.118 -14.396 10.373 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.929 -13.452 8.385 1.00 0.00 C ATOM 0 H LEU A 75 -4.162 -10.520 8.534 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.023 -10.346 11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.338 -12.146 11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.093 -11.653 10.037 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.051 -13.879 10.281 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.968 -15.396 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.119 -14.444 11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.074 -14.003 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.795 -14.465 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.856 -13.036 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.090 -12.832 8.069 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.227 -12.205 9.038 1.00 0.00 N ATOM 1171 CA ASP A 76 0.038 -12.919 8.912 1.00 0.00 C ATOM 1172 C ASP A 76 1.209 -12.022 9.301 1.00 0.00 C ATOM 1173 O ASP A 76 2.159 -12.468 9.946 1.00 0.00 O ATOM 1174 CB ASP A 76 0.222 -13.427 7.481 1.00 0.00 C ATOM 1175 CG ASP A 76 1.037 -14.703 7.420 1.00 0.00 C ATOM 1176 OD1 ASP A 76 2.278 -14.620 7.534 1.00 0.00 O ATOM 1177 OD2 ASP A 76 0.435 -15.785 7.257 1.00 0.00 O ATOM 0 H ASP A 76 -1.698 -12.022 8.152 1.00 0.00 H new ATOM 0 HA ASP A 76 0.015 -13.771 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.756 -13.602 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.713 -12.657 6.886 1.00 0.00 H new ATOM 1182 N LEU A 77 1.136 -10.757 8.904 1.00 0.00 N ATOM 1183 CA LEU A 77 2.191 -9.797 9.210 1.00 0.00 C ATOM 1184 C LEU A 77 1.971 -9.165 10.581 1.00 0.00 C ATOM 1185 O LEU A 77 2.523 -8.108 10.884 1.00 0.00 O ATOM 1186 CB LEU A 77 2.243 -8.708 8.137 1.00 0.00 C ATOM 1187 CG LEU A 77 2.698 -9.156 6.748 1.00 0.00 C ATOM 1188 CD1 LEU A 77 2.048 -8.301 5.672 1.00 0.00 C ATOM 1189 CD2 LEU A 77 4.214 -9.094 6.637 1.00 0.00 C ATOM 0 H LEU A 77 0.357 -10.372 8.369 1.00 0.00 H new ATOM 0 HA LEU A 77 3.141 -10.331 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.250 -8.266 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.913 -7.920 8.480 1.00 0.00 H new ATOM 0 HG LEU A 77 2.385 -10.190 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.384 -8.635 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.964 -8.397 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.329 -7.258 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.519 -9.416 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.550 -8.071 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.661 -9.750 7.384 1.00 0.00 H new ATOM 1201 N GLU A 78 1.162 -9.822 11.407 1.00 0.00 N ATOM 1202 CA GLU A 78 0.872 -9.324 12.747 1.00 0.00 C ATOM 1203 C GLU A 78 0.080 -8.021 12.683 1.00 0.00 C ATOM 1204 O GLU A 78 0.202 -7.164 13.559 1.00 0.00 O ATOM 1205 CB GLU A 78 2.170 -9.108 13.527 1.00 0.00 C ATOM 1206 CG GLU A 78 3.075 -10.328 13.553 1.00 0.00 C ATOM 1207 CD GLU A 78 4.509 -9.983 13.905 1.00 0.00 C ATOM 1208 OE1 GLU A 78 4.799 -9.804 15.107 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.341 -9.891 12.979 1.00 0.00 O ATOM 0 H GLU A 78 0.697 -10.699 11.172 1.00 0.00 H new ATOM 0 HA GLU A 78 0.268 -10.071 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.714 -8.272 13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.926 -8.825 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.690 -11.046 14.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.051 -10.814 12.578 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.731 -7.879 11.641 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.543 -6.681 11.461 1.00 0.00 C ATOM 1218 C LEU A 79 -3.015 -6.975 11.730 1.00 0.00 C ATOM 1219 O LEU A 79 -3.895 -6.218 11.320 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.372 -6.132 10.043 1.00 0.00 C ATOM 1221 CG LEU A 79 0.058 -6.106 9.502 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.091 -5.495 8.110 1.00 0.00 C ATOM 1223 CD2 LEU A 79 0.971 -5.336 10.445 1.00 0.00 C ATOM 0 H LEU A 79 -0.844 -8.579 10.908 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.204 -5.932 12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.984 -6.729 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.767 -5.117 10.018 1.00 0.00 H new ATOM 0 HG LEU A 79 0.419 -7.132 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.117 -5.485 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.530 -6.087 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.290 -4.474 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.985 -5.328 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.612 -4.312 10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.972 -5.816 11.424 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.276 -8.078 12.424 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.641 -8.470 12.751 1.00 0.00 C ATOM 1237 C ALA A 80 -5.311 -7.432 13.645 1.00 0.00 C ATOM 1238 O ALA A 80 -6.336 -6.847 13.296 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.651 -9.834 13.425 1.00 0.00 C ATOM 0 H ALA A 80 -2.560 -8.716 12.771 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.208 -8.531 11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.677 -10.114 13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.219 -10.575 12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.064 -9.791 14.342 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.720 -7.196 14.825 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.243 -6.228 15.793 1.00 0.00 C ATOM 1247 C PRO A 81 -5.085 -4.788 15.316 1.00 0.00 C ATOM 1248 O PRO A 81 -5.961 -4.248 14.641 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.390 -6.475 17.040 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.119 -7.052 16.520 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.495 -7.857 15.307 1.00 0.00 C ATOM 0 HA PRO A 81 -6.312 -6.357 15.960 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.210 -5.549 17.587 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.884 -7.161 17.728 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.410 -6.265 16.262 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.639 -7.679 17.271 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.707 -7.841 14.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.675 -8.902 15.558 1.00 0.00 H new ATOM 1259 N SER A 82 -3.961 -4.172 15.670 1.00 0.00 N ATOM 1260 CA SER A 82 -3.690 -2.793 15.281 1.00 0.00 C ATOM 1261 C SER A 82 -2.480 -2.719 14.354 1.00 0.00 C ATOM 1262 O SER A 82 -1.551 -3.518 14.463 1.00 0.00 O ATOM 1263 CB SER A 82 -3.451 -1.929 16.520 1.00 0.00 C ATOM 1264 OG SER A 82 -2.401 -2.454 17.314 1.00 0.00 O ATOM 0 H SER A 82 -3.224 -4.606 16.225 1.00 0.00 H new ATOM 0 HA SER A 82 -4.561 -2.414 14.746 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.207 -0.911 16.216 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.365 -1.874 17.111 1.00 0.00 H new ATOM 0 HG SER A 82 -2.267 -1.882 18.099 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.501 -1.754 13.441 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.406 -1.573 12.496 1.00 0.00 C ATOM 1272 C ALA A 83 -1.405 -0.160 11.921 1.00 0.00 C ATOM 1273 O ALA A 83 -2.462 0.423 11.679 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.500 -2.600 11.377 1.00 0.00 C ATOM 0 H ALA A 83 -3.264 -1.086 13.336 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.468 -1.720 13.032 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.676 -2.453 10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.444 -3.604 11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.447 -2.480 10.851 1.00 0.00 H new ATOM 1280 N SER A 84 -0.213 0.385 11.704 1.00 0.00 N ATOM 1281 CA SER A 84 -0.075 1.731 11.162 1.00 0.00 C ATOM 1282 C SER A 84 0.913 1.750 9.999 1.00 0.00 C ATOM 1283 O SER A 84 2.126 1.682 10.198 1.00 0.00 O ATOM 1284 CB SER A 84 0.387 2.699 12.253 1.00 0.00 C ATOM 1285 OG SER A 84 -0.441 2.607 13.400 1.00 0.00 O ATOM 0 H SER A 84 0.672 -0.085 11.895 1.00 0.00 H new ATOM 0 HA SER A 84 -1.050 2.049 10.794 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.419 2.478 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.370 3.719 11.869 1.00 0.00 H new ATOM 0 HG SER A 84 -0.124 3.234 14.083 1.00 0.00 H new ATOM 1291 N VAL A 85 0.384 1.842 8.783 1.00 0.00 N ATOM 1292 CA VAL A 85 1.217 1.871 7.587 1.00 0.00 C ATOM 1293 C VAL A 85 1.369 3.292 7.057 1.00 0.00 C ATOM 1294 O VAL A 85 0.410 3.892 6.573 1.00 0.00 O ATOM 1295 CB VAL A 85 0.633 0.980 6.474 1.00 0.00 C ATOM 1296 CG1 VAL A 85 0.918 -0.486 6.759 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.862 1.223 6.328 1.00 0.00 C ATOM 0 H VAL A 85 -0.618 1.898 8.600 1.00 0.00 H new ATOM 0 HA VAL A 85 2.196 1.487 7.874 1.00 0.00 H new ATOM 0 HB VAL A 85 1.115 1.242 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.498 -1.100 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.995 -0.644 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.465 -0.766 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.259 0.586 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.362 0.989 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.038 2.268 6.074 1.00 0.00 H new ATOM 1307 N VAL A 86 2.583 3.826 7.152 1.00 0.00 N ATOM 1308 CA VAL A 86 2.863 5.177 6.681 1.00 0.00 C ATOM 1309 C VAL A 86 2.944 5.223 5.159 1.00 0.00 C ATOM 1310 O VAL A 86 3.400 4.273 4.522 1.00 0.00 O ATOM 1311 CB VAL A 86 4.180 5.716 7.271 1.00 0.00 C ATOM 1312 CG1 VAL A 86 3.920 6.445 8.580 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.176 4.584 7.470 1.00 0.00 C ATOM 0 H VAL A 86 3.388 3.343 7.551 1.00 0.00 H new ATOM 0 HA VAL A 86 2.039 5.806 7.017 1.00 0.00 H new ATOM 0 HB VAL A 86 4.610 6.428 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.862 6.819 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.244 7.281 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.467 5.758 9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.101 4.982 7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.757 3.847 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.385 4.111 6.511 1.00 0.00 H new ATOM 1323 N LEU A 87 2.499 6.334 4.582 1.00 0.00 N ATOM 1324 CA LEU A 87 2.522 6.505 3.133 1.00 0.00 C ATOM 1325 C LEU A 87 3.697 7.380 2.706 1.00 0.00 C ATOM 1326 O LEU A 87 3.763 8.560 3.052 1.00 0.00 O ATOM 1327 CB LEU A 87 1.209 7.125 2.653 1.00 0.00 C ATOM 1328 CG LEU A 87 1.032 7.232 1.138 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.439 7.140 0.764 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.635 8.530 0.621 1.00 0.00 C ATOM 0 H LEU A 87 2.118 7.129 5.095 1.00 0.00 H new ATOM 0 HA LEU A 87 2.641 5.522 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.384 6.536 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.125 8.124 3.080 1.00 0.00 H new ATOM 0 HG LEU A 87 1.557 6.399 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.545 7.218 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.841 6.184 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.987 7.952 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.500 8.589 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.139 9.376 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.699 8.556 0.855 1.00 0.00 H new ATOM 1342 N LEU A 88 4.620 6.794 1.952 1.00 0.00 N ATOM 1343 CA LEU A 88 5.792 7.520 1.476 1.00 0.00 C ATOM 1344 C LEU A 88 5.585 8.010 0.046 1.00 0.00 C ATOM 1345 O LEU A 88 5.511 7.226 -0.900 1.00 0.00 O ATOM 1346 CB LEU A 88 7.033 6.629 1.546 1.00 0.00 C ATOM 1347 CG LEU A 88 7.479 6.210 2.948 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.253 4.902 2.893 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.322 7.303 3.588 1.00 0.00 C ATOM 0 H LEU A 88 4.580 5.818 1.657 1.00 0.00 H new ATOM 0 HA LEU A 88 5.938 8.387 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.843 5.728 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.859 7.152 1.065 1.00 0.00 H new ATOM 0 HG LEU A 88 6.590 6.058 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.562 4.620 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.618 4.121 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.135 5.027 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.630 6.988 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.205 7.487 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.735 8.219 3.662 1.00 0.00 H new ATOM 1361 N PRO A 89 5.491 9.338 -0.117 1.00 0.00 N ATOM 1362 CA PRO A 89 5.294 9.963 -1.429 1.00 0.00 C ATOM 1363 C PRO A 89 6.525 9.842 -2.319 1.00 0.00 C ATOM 1364 O PRO A 89 7.655 9.997 -1.856 1.00 0.00 O ATOM 1365 CB PRO A 89 5.023 11.430 -1.086 1.00 0.00 C ATOM 1366 CG PRO A 89 5.686 11.639 0.232 1.00 0.00 C ATOM 1367 CD PRO A 89 5.570 10.332 0.966 1.00 0.00 C ATOM 0 HA PRO A 89 4.490 9.487 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.432 12.096 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.953 11.632 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.731 11.923 0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.204 12.443 0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.431 10.156 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.685 10.305 1.601 1.00 0.00 H new ATOM 1375 N ALA A 90 6.300 9.565 -3.599 1.00 0.00 N ATOM 1376 CA ALA A 90 7.392 9.426 -4.555 1.00 0.00 C ATOM 1377 C ALA A 90 7.676 10.748 -5.260 1.00 0.00 C ATOM 1378 O ALA A 90 8.797 11.252 -5.225 1.00 0.00 O ATOM 1379 CB ALA A 90 7.068 8.342 -5.572 1.00 0.00 C ATOM 0 H ALA A 90 5.371 9.432 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 90 8.288 9.137 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.892 8.249 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.923 7.392 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.157 8.607 -6.109 1.00 0.00 H new