USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -81:sc= 0.0315 USER MOD Single : A 27 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.67) USER MOD Single : A 35 SER OG : rot 180:sc= 0.705 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.3) USER MOD Single : A 47 MET CE :methyl -132:sc= 0 (180deg=-1.24) USER MOD Single : A 57 CYS SG : rot 12:sc= -0.203 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 165:sc= -0.551 USER MOD Single : A 67 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.027) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.058 1.457 3.358 1.00 0.00 N ATOM 210 CA GLY A 17 7.253 2.118 4.369 1.00 0.00 C ATOM 211 C GLY A 17 6.063 1.284 4.799 1.00 0.00 C ATOM 212 O GLY A 17 6.183 0.074 4.996 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.874 2.335 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.902 3.074 3.981 1.00 0.00 H new ATOM 216 N ILE A 18 4.911 1.930 4.947 1.00 0.00 N ATOM 217 CA ILE A 18 3.695 1.239 5.358 1.00 0.00 C ATOM 218 C ILE A 18 3.041 0.530 4.177 1.00 0.00 C ATOM 219 O ILE A 18 2.928 1.090 3.086 1.00 0.00 O ATOM 220 CB ILE A 18 2.679 2.212 5.985 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.284 2.893 7.214 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.400 1.477 6.355 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.504 4.102 7.680 1.00 0.00 C ATOM 0 H ILE A 18 4.794 2.931 4.788 1.00 0.00 H new ATOM 0 HA ILE A 18 3.988 0.502 6.105 1.00 0.00 H new ATOM 0 HB ILE A 18 2.433 2.980 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.340 2.171 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.306 3.196 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.692 2.178 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.962 1.035 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.628 0.690 7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.990 4.534 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.469 4.843 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.489 3.802 7.941 1.00 0.00 H new ATOM 235 N THR A 19 2.608 -0.707 4.403 1.00 0.00 N ATOM 236 CA THR A 19 1.963 -1.493 3.359 1.00 0.00 C ATOM 237 C THR A 19 0.568 -1.935 3.785 1.00 0.00 C ATOM 238 O THR A 19 0.291 -2.085 4.975 1.00 0.00 O ATOM 239 CB THR A 19 2.796 -2.738 2.999 1.00 0.00 C ATOM 240 OG1 THR A 19 2.962 -3.567 4.155 1.00 0.00 O ATOM 241 CG2 THR A 19 4.159 -2.339 2.455 1.00 0.00 C ATOM 0 H THR A 19 2.693 -1.185 5.300 1.00 0.00 H new ATOM 0 HA THR A 19 1.885 -0.850 2.482 1.00 0.00 H new ATOM 0 HB THR A 19 2.263 -3.293 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.491 -4.357 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.729 -3.235 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.030 -1.733 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.697 -1.763 3.208 1.00 0.00 H new ATOM 249 N ALA A 20 -0.307 -2.142 2.806 1.00 0.00 N ATOM 250 CA ALA A 20 -1.674 -2.569 3.081 1.00 0.00 C ATOM 251 C ALA A 20 -2.216 -3.433 1.948 1.00 0.00 C ATOM 252 O ALA A 20 -1.615 -3.522 0.878 1.00 0.00 O ATOM 253 CB ALA A 20 -2.570 -1.360 3.301 1.00 0.00 C ATOM 0 H ALA A 20 -0.094 -2.021 1.816 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.666 -3.171 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.587 -1.694 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.200 -0.783 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.565 -0.736 2.407 1.00 0.00 H new ATOM 259 N VAL A 21 -3.357 -4.071 2.191 1.00 0.00 N ATOM 260 CA VAL A 21 -3.981 -4.929 1.191 1.00 0.00 C ATOM 261 C VAL A 21 -5.410 -4.485 0.901 1.00 0.00 C ATOM 262 O VAL A 21 -6.197 -4.250 1.818 1.00 0.00 O ATOM 263 CB VAL A 21 -3.995 -6.401 1.644 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.997 -6.604 2.770 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.307 -7.316 0.470 1.00 0.00 C ATOM 0 H VAL A 21 -3.868 -4.010 3.072 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.385 -4.842 0.283 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.005 -6.657 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.993 -7.650 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.724 -5.976 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.994 -6.332 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.313 -8.352 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.285 -7.062 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.547 -7.190 -0.301 1.00 0.00 H new ATOM 275 N ALA A 22 -5.740 -4.372 -0.382 1.00 0.00 N ATOM 276 CA ALA A 22 -7.076 -3.958 -0.793 1.00 0.00 C ATOM 277 C ALA A 22 -8.109 -5.031 -0.465 1.00 0.00 C ATOM 278 O ALA A 22 -7.800 -6.223 -0.460 1.00 0.00 O ATOM 279 CB ALA A 22 -7.095 -3.643 -2.282 1.00 0.00 C ATOM 0 H ALA A 22 -5.101 -4.561 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.338 -3.057 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.098 -3.335 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.392 -2.837 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.808 -4.531 -2.845 1.00 0.00 H new ATOM 285 N LEU A 23 -9.335 -4.600 -0.190 1.00 0.00 N ATOM 286 CA LEU A 23 -10.414 -5.524 0.141 1.00 0.00 C ATOM 287 C LEU A 23 -11.409 -5.635 -1.010 1.00 0.00 C ATOM 288 O LEU A 23 -11.975 -6.700 -1.255 1.00 0.00 O ATOM 289 CB LEU A 23 -11.134 -5.065 1.410 1.00 0.00 C ATOM 290 CG LEU A 23 -10.248 -4.804 2.628 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.054 -4.168 3.749 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.599 -6.096 3.102 1.00 0.00 C ATOM 0 H LEU A 23 -9.607 -3.617 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.976 -6.507 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.682 -4.151 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.872 -5.821 1.678 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.460 -4.110 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.406 -3.990 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.470 -3.221 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.865 -4.837 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.972 -5.891 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.373 -6.813 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.986 -6.510 2.301 1.00 0.00 H new ATOM 304 N TYR A 24 -11.614 -4.528 -1.716 1.00 0.00 N ATOM 305 CA TYR A 24 -12.540 -4.500 -2.841 1.00 0.00 C ATOM 306 C TYR A 24 -11.992 -3.641 -3.977 1.00 0.00 C ATOM 307 O TYR A 24 -11.155 -2.765 -3.759 1.00 0.00 O ATOM 308 CB TYR A 24 -13.903 -3.967 -2.395 1.00 0.00 C ATOM 309 CG TYR A 24 -14.352 -4.501 -1.054 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.866 -3.959 0.130 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.262 -5.547 -0.970 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.274 -4.444 1.358 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.676 -6.038 0.253 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.179 -5.483 1.414 1.00 0.00 C ATOM 315 OH TYR A 24 -15.588 -5.969 2.634 1.00 0.00 O ATOM 0 H TYR A 24 -11.151 -3.639 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.659 -5.520 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.861 -2.879 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.648 -4.225 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.157 -3.145 0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.653 -5.984 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.886 -4.012 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.385 -6.852 0.300 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.227 -6.699 2.498 1.00 0.00 H new ATOM 325 N ASP A 25 -12.471 -3.899 -5.189 1.00 0.00 N ATOM 326 CA ASP A 25 -12.031 -3.149 -6.360 1.00 0.00 C ATOM 327 C ASP A 25 -12.465 -1.689 -6.264 1.00 0.00 C ATOM 328 O ASP A 25 -13.637 -1.393 -6.034 1.00 0.00 O ATOM 329 CB ASP A 25 -12.593 -3.778 -7.635 1.00 0.00 C ATOM 330 CG ASP A 25 -14.099 -3.952 -7.581 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.559 -4.968 -7.019 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.816 -3.071 -8.099 1.00 0.00 O ATOM 0 H ASP A 25 -13.164 -4.621 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.942 -3.184 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.333 -3.153 -8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.124 -4.749 -7.795 1.00 0.00 H new ATOM 337 N TYR A 26 -11.511 -0.782 -6.442 1.00 0.00 N ATOM 338 CA TYR A 26 -11.793 0.647 -6.373 1.00 0.00 C ATOM 339 C TYR A 26 -11.478 1.330 -7.700 1.00 0.00 C ATOM 340 O TYR A 26 -10.541 0.947 -8.400 1.00 0.00 O ATOM 341 CB TYR A 26 -10.982 1.294 -5.249 1.00 0.00 C ATOM 342 CG TYR A 26 -11.559 2.604 -4.762 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.215 3.806 -5.369 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.451 2.640 -3.697 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.739 5.005 -4.927 1.00 0.00 C ATOM 346 CE2 TYR A 26 -12.981 3.834 -3.249 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.622 5.014 -3.867 1.00 0.00 C ATOM 348 OH TYR A 26 -13.148 6.206 -3.425 1.00 0.00 O ATOM 0 H TYR A 26 -10.536 -1.011 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.856 0.772 -6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.921 0.600 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.963 1.463 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.526 3.802 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.735 1.718 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.459 5.930 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.673 3.844 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.500 6.653 -2.842 1.00 0.00 H new ATOM 358 N GLN A 27 -12.269 2.343 -8.039 1.00 0.00 N ATOM 359 CA GLN A 27 -12.076 3.079 -9.283 1.00 0.00 C ATOM 360 C GLN A 27 -12.026 4.581 -9.024 1.00 0.00 C ATOM 361 O GLN A 27 -13.062 5.235 -8.906 1.00 0.00 O ATOM 362 CB GLN A 27 -13.198 2.757 -10.271 1.00 0.00 C ATOM 363 CG GLN A 27 -13.226 1.300 -10.706 1.00 0.00 C ATOM 364 CD GLN A 27 -11.863 0.794 -11.137 1.00 0.00 C ATOM 365 OE1 GLN A 27 -11.118 1.492 -11.825 1.00 0.00 O ATOM 366 NE2 GLN A 27 -11.530 -0.427 -10.733 1.00 0.00 N ATOM 0 H GLN A 27 -13.049 2.673 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.123 2.771 -9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.155 3.010 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.087 3.389 -11.152 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.594 0.686 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.930 1.184 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.179 -0.970 -10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.626 -0.821 -10.992 1.00 0.00 H new ATOM 375 N ALA A 28 -10.816 5.122 -8.936 1.00 0.00 N ATOM 376 CA ALA A 28 -10.631 6.547 -8.692 1.00 0.00 C ATOM 377 C ALA A 28 -11.678 7.371 -9.435 1.00 0.00 C ATOM 378 O ALA A 28 -11.766 7.319 -10.661 1.00 0.00 O ATOM 379 CB ALA A 28 -9.231 6.976 -9.103 1.00 0.00 C ATOM 0 H ALA A 28 -9.948 4.594 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.755 6.727 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.107 8.043 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.495 6.418 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.086 6.775 -10.165 1.00 0.00 H new ATOM 385 N ALA A 29 -12.470 8.130 -8.684 1.00 0.00 N ATOM 386 CA ALA A 29 -13.509 8.965 -9.272 1.00 0.00 C ATOM 387 C ALA A 29 -12.911 10.001 -10.218 1.00 0.00 C ATOM 388 O ALA A 29 -13.512 10.346 -11.235 1.00 0.00 O ATOM 389 CB ALA A 29 -14.317 9.650 -8.179 1.00 0.00 C ATOM 0 H ALA A 29 -12.411 8.183 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.172 8.323 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.090 10.271 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.783 8.896 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.658 10.274 -7.576 1.00 0.00 H new ATOM 395 N GLY A 30 -11.725 10.493 -9.877 1.00 0.00 N ATOM 396 CA GLY A 30 -11.066 11.485 -10.706 1.00 0.00 C ATOM 397 C GLY A 30 -9.639 11.103 -11.045 1.00 0.00 C ATOM 398 O GLY A 30 -9.320 9.921 -11.174 1.00 0.00 O ATOM 0 H GLY A 30 -11.208 10.222 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.632 11.617 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.069 12.445 -10.190 1.00 0.00 H new ATOM 402 N ASP A 31 -8.779 12.104 -11.191 1.00 0.00 N ATOM 403 CA ASP A 31 -7.377 11.867 -11.517 1.00 0.00 C ATOM 404 C ASP A 31 -6.531 11.779 -10.251 1.00 0.00 C ATOM 405 O ASP A 31 -5.618 10.959 -10.158 1.00 0.00 O ATOM 406 CB ASP A 31 -6.847 12.980 -12.423 1.00 0.00 C ATOM 407 CG ASP A 31 -5.355 12.866 -12.668 1.00 0.00 C ATOM 408 OD1 ASP A 31 -4.881 11.740 -12.927 1.00 0.00 O ATOM 409 OD2 ASP A 31 -4.663 13.902 -12.601 1.00 0.00 O ATOM 0 H ASP A 31 -9.028 13.088 -11.089 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.308 10.916 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.372 12.949 -13.377 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.065 13.947 -11.971 1.00 0.00 H new ATOM 414 N ASP A 32 -6.841 12.629 -9.278 1.00 0.00 N ATOM 415 CA ASP A 32 -6.110 12.648 -8.017 1.00 0.00 C ATOM 416 C ASP A 32 -6.138 11.275 -7.353 1.00 0.00 C ATOM 417 O ASP A 32 -5.106 10.765 -6.917 1.00 0.00 O ATOM 418 CB ASP A 32 -6.703 13.696 -7.074 1.00 0.00 C ATOM 419 CG ASP A 32 -6.309 15.109 -7.458 1.00 0.00 C ATOM 420 OD1 ASP A 32 -5.214 15.551 -7.051 1.00 0.00 O ATOM 421 OD2 ASP A 32 -7.095 15.773 -8.166 1.00 0.00 O ATOM 0 H ASP A 32 -7.594 13.314 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.073 12.908 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.790 13.611 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.371 13.493 -6.056 1.00 0.00 H new ATOM 426 N GLU A 33 -7.326 10.683 -7.278 1.00 0.00 N ATOM 427 CA GLU A 33 -7.487 9.370 -6.665 1.00 0.00 C ATOM 428 C GLU A 33 -6.837 8.286 -7.520 1.00 0.00 C ATOM 429 O GLU A 33 -6.632 8.468 -8.721 1.00 0.00 O ATOM 430 CB GLU A 33 -8.971 9.055 -6.465 1.00 0.00 C ATOM 431 CG GLU A 33 -9.578 9.732 -5.247 1.00 0.00 C ATOM 432 CD GLU A 33 -11.090 9.620 -5.211 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.609 8.516 -5.479 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.753 10.636 -4.915 1.00 0.00 O ATOM 0 H GLU A 33 -8.190 11.092 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.992 9.388 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.522 9.363 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.095 7.976 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.163 9.286 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.295 10.785 -5.242 1.00 0.00 H new ATOM 441 N ILE A 34 -6.514 7.160 -6.893 1.00 0.00 N ATOM 442 CA ILE A 34 -5.888 6.047 -7.596 1.00 0.00 C ATOM 443 C ILE A 34 -6.800 4.826 -7.615 1.00 0.00 C ATOM 444 O ILE A 34 -7.643 4.654 -6.735 1.00 0.00 O ATOM 445 CB ILE A 34 -4.543 5.660 -6.952 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.740 5.321 -5.473 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.535 6.787 -7.113 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.562 4.600 -4.857 1.00 0.00 C ATOM 0 H ILE A 34 -6.675 6.994 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.710 6.380 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.155 4.777 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.923 6.242 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.631 4.702 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.590 6.498 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.377 6.985 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.915 7.687 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.771 4.391 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.392 3.662 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.673 5.226 -4.932 1.00 0.00 H new ATOM 460 N SER A 35 -6.625 3.979 -8.624 1.00 0.00 N ATOM 461 CA SER A 35 -7.434 2.773 -8.760 1.00 0.00 C ATOM 462 C SER A 35 -6.569 1.522 -8.636 1.00 0.00 C ATOM 463 O SER A 35 -5.617 1.334 -9.394 1.00 0.00 O ATOM 464 CB SER A 35 -8.164 2.771 -10.104 1.00 0.00 C ATOM 465 OG SER A 35 -8.785 4.021 -10.349 1.00 0.00 O ATOM 0 H SER A 35 -5.930 4.105 -9.360 1.00 0.00 H new ATOM 0 HA SER A 35 -8.170 2.766 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.458 2.549 -10.904 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.915 1.981 -10.113 1.00 0.00 H new ATOM 0 HG SER A 35 -9.243 3.994 -11.215 1.00 0.00 H new ATOM 471 N PHE A 36 -6.908 0.669 -7.675 1.00 0.00 N ATOM 472 CA PHE A 36 -6.163 -0.565 -7.450 1.00 0.00 C ATOM 473 C PHE A 36 -7.103 -1.765 -7.395 1.00 0.00 C ATOM 474 O PHE A 36 -8.240 -1.657 -6.935 1.00 0.00 O ATOM 475 CB PHE A 36 -5.361 -0.471 -6.151 1.00 0.00 C ATOM 476 CG PHE A 36 -6.019 0.376 -5.099 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.240 0.006 -4.558 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.418 1.541 -4.652 1.00 0.00 C ATOM 479 CE1 PHE A 36 -7.848 0.783 -3.591 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.021 2.322 -3.685 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.238 1.942 -3.153 1.00 0.00 C ATOM 0 H PHE A 36 -7.693 0.809 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.475 -0.703 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.208 -1.475 -5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.375 -0.062 -6.371 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.722 -0.900 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.466 1.843 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.800 0.484 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.542 3.228 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.711 2.550 -2.396 1.00 0.00 H new ATOM 491 N ASP A 37 -6.621 -2.909 -7.869 1.00 0.00 N ATOM 492 CA ASP A 37 -7.416 -4.131 -7.874 1.00 0.00 C ATOM 493 C ASP A 37 -7.625 -4.649 -6.454 1.00 0.00 C ATOM 494 O ASP A 37 -6.914 -4.278 -5.520 1.00 0.00 O ATOM 495 CB ASP A 37 -6.737 -5.204 -8.726 1.00 0.00 C ATOM 496 CG ASP A 37 -7.192 -5.168 -10.172 1.00 0.00 C ATOM 497 OD1 ASP A 37 -6.613 -4.388 -10.957 1.00 0.00 O ATOM 498 OD2 ASP A 37 -8.127 -5.920 -10.519 1.00 0.00 O ATOM 0 H ASP A 37 -5.683 -3.015 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.390 -3.899 -8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.656 -5.067 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.950 -6.187 -8.305 1.00 0.00 H new ATOM 503 N PRO A 38 -8.625 -5.527 -6.285 1.00 0.00 N ATOM 504 CA PRO A 38 -8.952 -6.114 -4.982 1.00 0.00 C ATOM 505 C PRO A 38 -7.883 -7.090 -4.503 1.00 0.00 C ATOM 506 O PRO A 38 -7.149 -7.666 -5.306 1.00 0.00 O ATOM 507 CB PRO A 38 -10.269 -6.849 -5.245 1.00 0.00 C ATOM 508 CG PRO A 38 -10.249 -7.153 -6.703 1.00 0.00 C ATOM 509 CD PRO A 38 -9.514 -6.014 -7.354 1.00 0.00 C ATOM 0 HA PRO A 38 -9.019 -5.359 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.339 -7.761 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.127 -6.231 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.749 -8.102 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.261 -7.240 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.950 -6.346 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.198 -5.236 -7.694 1.00 0.00 H new ATOM 517 N ASP A 39 -7.802 -7.272 -3.189 1.00 0.00 N ATOM 518 CA ASP A 39 -6.824 -8.181 -2.602 1.00 0.00 C ATOM 519 C ASP A 39 -5.427 -7.904 -3.151 1.00 0.00 C ATOM 520 O ASP A 39 -4.603 -8.811 -3.264 1.00 0.00 O ATOM 521 CB ASP A 39 -7.215 -9.633 -2.878 1.00 0.00 C ATOM 522 CG ASP A 39 -7.982 -9.790 -4.176 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.218 -9.612 -4.160 1.00 0.00 O ATOM 524 OD2 ASP A 39 -7.347 -10.091 -5.208 1.00 0.00 O ATOM 0 H ASP A 39 -8.402 -6.802 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.811 -8.015 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.316 -10.248 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.822 -10.006 -2.053 1.00 0.00 H new ATOM 529 N ASP A 40 -5.170 -6.646 -3.492 1.00 0.00 N ATOM 530 CA ASP A 40 -3.874 -6.250 -4.030 1.00 0.00 C ATOM 531 C ASP A 40 -2.942 -5.786 -2.915 1.00 0.00 C ATOM 532 O ASP A 40 -3.338 -5.715 -1.751 1.00 0.00 O ATOM 533 CB ASP A 40 -4.046 -5.136 -5.064 1.00 0.00 C ATOM 534 CG ASP A 40 -4.341 -5.673 -6.450 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.048 -6.698 -6.551 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.867 -5.068 -7.434 1.00 0.00 O ATOM 0 H ASP A 40 -5.842 -5.883 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.428 -7.119 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.857 -4.477 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.139 -4.532 -5.097 1.00 0.00 H new ATOM 541 N ILE A 41 -1.702 -5.473 -3.278 1.00 0.00 N ATOM 542 CA ILE A 41 -0.715 -5.017 -2.308 1.00 0.00 C ATOM 543 C ILE A 41 -0.229 -3.610 -2.638 1.00 0.00 C ATOM 544 O ILE A 41 0.143 -3.322 -3.776 1.00 0.00 O ATOM 545 CB ILE A 41 0.497 -5.966 -2.250 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.039 -7.397 -1.965 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.485 -5.499 -1.191 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.665 -7.553 -0.635 1.00 0.00 C ATOM 0 H ILE A 41 -1.358 -5.527 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.208 -5.010 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 41 0.998 -5.951 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.631 -7.721 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.905 -8.058 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.336 -6.180 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.832 -4.495 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.996 -5.488 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.962 -8.593 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.009 -7.261 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.551 -6.918 -0.615 1.00 0.00 H new ATOM 560 N ILE A 42 -0.235 -2.738 -1.635 1.00 0.00 N ATOM 561 CA ILE A 42 0.208 -1.361 -1.819 1.00 0.00 C ATOM 562 C ILE A 42 1.390 -1.038 -0.911 1.00 0.00 C ATOM 563 O ILE A 42 1.509 -1.579 0.189 1.00 0.00 O ATOM 564 CB ILE A 42 -0.930 -0.362 -1.537 1.00 0.00 C ATOM 565 CG1 ILE A 42 -2.038 -0.509 -2.582 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.393 1.062 -1.522 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.105 -1.509 -2.195 1.00 0.00 C ATOM 0 H ILE A 42 -0.541 -2.960 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 42 0.516 -1.264 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.351 -0.581 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.504 0.463 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.594 -0.812 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.209 1.756 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.364 1.157 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.051 1.294 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.857 -1.561 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.652 -2.491 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.576 -1.196 -1.263 1.00 0.00 H new ATOM 579 N THR A 43 2.262 -0.151 -1.378 1.00 0.00 N ATOM 580 CA THR A 43 3.435 0.246 -0.609 1.00 0.00 C ATOM 581 C THR A 43 3.606 1.760 -0.608 1.00 0.00 C ATOM 582 O THR A 43 2.982 2.465 -1.401 1.00 0.00 O ATOM 583 CB THR A 43 4.717 -0.404 -1.164 1.00 0.00 C ATOM 584 OG1 THR A 43 4.961 0.055 -2.498 1.00 0.00 O ATOM 585 CG2 THR A 43 4.601 -1.921 -1.157 1.00 0.00 C ATOM 0 H THR A 43 2.178 0.307 -2.286 1.00 0.00 H new ATOM 0 HA THR A 43 3.274 -0.099 0.412 1.00 0.00 H new ATOM 0 HB THR A 43 5.551 -0.116 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.778 -0.361 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.518 -2.358 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.445 -2.269 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.757 -2.224 -1.777 1.00 0.00 H new ATOM 593 N ASN A 44 4.456 2.255 0.286 1.00 0.00 N ATOM 594 CA ASN A 44 4.708 3.688 0.389 1.00 0.00 C ATOM 595 C ASN A 44 3.430 4.442 0.743 1.00 0.00 C ATOM 596 O ASN A 44 3.176 5.529 0.224 1.00 0.00 O ATOM 597 CB ASN A 44 5.282 4.222 -0.925 1.00 0.00 C ATOM 598 CG ASN A 44 6.539 3.487 -1.348 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.647 3.020 -2.482 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.498 3.380 -0.434 1.00 0.00 N ATOM 0 H ASN A 44 4.982 1.685 0.949 1.00 0.00 H new ATOM 0 HA ASN A 44 5.434 3.847 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.531 4.132 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.504 5.284 -0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.367 2.895 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.365 3.783 0.494 1.00 0.00 H new ATOM 607 N ILE A 45 2.630 3.857 1.628 1.00 0.00 N ATOM 608 CA ILE A 45 1.380 4.474 2.052 1.00 0.00 C ATOM 609 C ILE A 45 1.639 5.712 2.904 1.00 0.00 C ATOM 610 O ILE A 45 2.550 5.728 3.731 1.00 0.00 O ATOM 611 CB ILE A 45 0.507 3.488 2.851 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.016 2.357 1.944 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.669 4.215 3.485 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.684 1.244 2.692 1.00 0.00 C ATOM 0 H ILE A 45 2.826 2.956 2.065 1.00 0.00 H new ATOM 0 HA ILE A 45 0.849 4.764 1.146 1.00 0.00 H new ATOM 0 HB ILE A 45 1.111 3.053 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.666 2.769 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.866 1.942 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.276 3.505 4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.299 4.988 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.276 4.675 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.005 0.477 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.002 0.806 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.554 1.646 3.212 1.00 0.00 H new ATOM 626 N GLU A 46 0.829 6.746 2.697 1.00 0.00 N ATOM 627 CA GLU A 46 0.971 7.988 3.448 1.00 0.00 C ATOM 628 C GLU A 46 -0.335 8.351 4.150 1.00 0.00 C ATOM 629 O GLU A 46 -1.398 8.377 3.531 1.00 0.00 O ATOM 630 CB GLU A 46 1.397 9.126 2.518 1.00 0.00 C ATOM 631 CG GLU A 46 2.901 9.234 2.337 1.00 0.00 C ATOM 632 CD GLU A 46 3.598 9.787 3.566 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.473 9.173 4.646 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.269 10.833 3.446 1.00 0.00 O ATOM 0 H GLU A 46 0.069 6.748 2.017 1.00 0.00 H new ATOM 0 HA GLU A 46 1.741 7.840 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.932 8.980 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.019 10.068 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.307 8.249 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.115 9.876 1.483 1.00 0.00 H new ATOM 641 N MET A 47 -0.245 8.631 5.446 1.00 0.00 N ATOM 642 CA MET A 47 -1.418 8.993 6.232 1.00 0.00 C ATOM 643 C MET A 47 -1.655 10.500 6.193 1.00 0.00 C ATOM 644 O MET A 47 -0.988 11.260 6.895 1.00 0.00 O ATOM 645 CB MET A 47 -1.251 8.529 7.680 1.00 0.00 C ATOM 646 CG MET A 47 -1.024 7.032 7.816 1.00 0.00 C ATOM 647 SD MET A 47 -1.036 6.481 9.533 1.00 0.00 S ATOM 648 CE MET A 47 -1.060 4.703 9.317 1.00 0.00 C ATOM 0 H MET A 47 0.628 8.614 5.974 1.00 0.00 H new ATOM 0 HA MET A 47 -2.284 8.495 5.796 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.410 9.058 8.128 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.140 8.806 8.247 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.797 6.499 7.262 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.069 6.770 7.361 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.831 4.270 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.274 4.466 8.275 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.089 4.290 9.591 1.00 0.00 H new ATOM 658 N ILE A 48 -2.607 10.923 5.369 1.00 0.00 N ATOM 659 CA ILE A 48 -2.931 12.338 5.240 1.00 0.00 C ATOM 660 C ILE A 48 -4.231 12.673 5.963 1.00 0.00 C ATOM 661 O ILE A 48 -4.244 13.473 6.899 1.00 0.00 O ATOM 662 CB ILE A 48 -3.057 12.754 3.762 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.737 12.515 3.028 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.472 14.215 3.657 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.852 12.630 1.524 1.00 0.00 C ATOM 0 H ILE A 48 -3.167 10.306 4.781 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.111 12.892 5.697 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.827 12.143 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.998 13.233 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.365 11.522 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.557 14.495 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.434 14.356 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.722 14.842 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.878 12.448 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.567 11.894 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.194 13.631 1.261 1.00 0.00 H new ATOM 677 N ASP A 49 -5.322 12.054 5.526 1.00 0.00 N ATOM 678 CA ASP A 49 -6.627 12.283 6.133 1.00 0.00 C ATOM 679 C ASP A 49 -6.945 11.203 7.163 1.00 0.00 C ATOM 680 O ASP A 49 -6.110 10.346 7.456 1.00 0.00 O ATOM 681 CB ASP A 49 -7.715 12.316 5.059 1.00 0.00 C ATOM 682 CG ASP A 49 -8.915 13.144 5.475 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.762 14.001 6.370 1.00 0.00 O ATOM 684 OD2 ASP A 49 -10.007 12.935 4.906 1.00 0.00 O ATOM 0 H ASP A 49 -5.328 11.389 4.753 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.599 13.247 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.299 12.722 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.038 11.298 4.842 1.00 0.00 H new ATOM 689 N ASP A 50 -8.155 11.251 7.709 1.00 0.00 N ATOM 690 CA ASP A 50 -8.583 10.277 8.706 1.00 0.00 C ATOM 691 C ASP A 50 -9.126 9.018 8.037 1.00 0.00 C ATOM 692 O ASP A 50 -9.261 7.973 8.674 1.00 0.00 O ATOM 693 CB ASP A 50 -9.648 10.884 9.619 1.00 0.00 C ATOM 694 CG ASP A 50 -10.649 11.731 8.858 1.00 0.00 C ATOM 695 OD1 ASP A 50 -11.155 11.259 7.818 1.00 0.00 O ATOM 696 OD2 ASP A 50 -10.927 12.865 9.301 1.00 0.00 O ATOM 0 H ASP A 50 -8.857 11.954 7.478 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.715 10.003 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.175 10.084 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.164 11.495 10.381 1.00 0.00 H new ATOM 701 N GLY A 51 -9.438 9.125 6.749 1.00 0.00 N ATOM 702 CA GLY A 51 -9.964 7.989 6.016 1.00 0.00 C ATOM 703 C GLY A 51 -9.395 7.889 4.614 1.00 0.00 C ATOM 704 O GLY A 51 -9.802 7.030 3.832 1.00 0.00 O ATOM 0 H GLY A 51 -9.336 9.979 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.739 7.073 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.050 8.068 5.959 1.00 0.00 H new ATOM 708 N TRP A 52 -8.453 8.769 4.296 1.00 0.00 N ATOM 709 CA TRP A 52 -7.829 8.777 2.978 1.00 0.00 C ATOM 710 C TRP A 52 -6.309 8.809 3.096 1.00 0.00 C ATOM 711 O TRP A 52 -5.750 9.640 3.812 1.00 0.00 O ATOM 712 CB TRP A 52 -8.315 9.980 2.168 1.00 0.00 C ATOM 713 CG TRP A 52 -9.780 9.934 1.857 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.806 10.276 2.691 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.382 9.520 0.626 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.010 10.100 2.052 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.777 9.638 0.784 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.879 9.064 -0.595 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.671 9.314 -0.233 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.768 8.743 -1.603 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.151 8.870 -1.418 1.00 0.00 C ATOM 0 H TRP A 52 -8.104 9.486 4.932 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.116 7.861 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.097 10.893 2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.754 10.031 1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.689 10.632 3.704 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.928 10.284 2.457 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.815 8.964 -0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.737 9.410 -0.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.390 8.388 -2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.819 8.612 -2.226 1.00 0.00 H new ATOM 732 N TRP A 53 -5.646 7.900 2.390 1.00 0.00 N ATOM 733 CA TRP A 53 -4.190 7.824 2.417 1.00 0.00 C ATOM 734 C TRP A 53 -3.618 7.858 1.004 1.00 0.00 C ATOM 735 O TRP A 53 -4.330 7.615 0.030 1.00 0.00 O ATOM 736 CB TRP A 53 -3.738 6.551 3.134 1.00 0.00 C ATOM 737 CG TRP A 53 -4.209 6.470 4.554 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.468 7.516 5.393 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.477 5.278 5.301 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.880 7.046 6.617 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.895 5.677 6.586 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.405 3.913 5.010 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.238 4.759 7.575 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.746 3.004 5.993 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.159 3.429 7.262 1.00 0.00 C ATOM 0 H TRP A 53 -6.094 7.205 1.792 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.815 8.691 2.962 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.107 5.684 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.649 6.500 3.116 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.364 8.559 5.133 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.134 7.623 7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.089 3.575 4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.555 5.085 8.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.693 1.947 5.779 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.420 2.693 8.008 1.00 0.00 H new ATOM 756 N ARG A 54 -2.328 8.160 0.900 1.00 0.00 N ATOM 757 CA ARG A 54 -1.660 8.225 -0.395 1.00 0.00 C ATOM 758 C ARG A 54 -0.530 7.204 -0.476 1.00 0.00 C ATOM 759 O ARG A 54 0.393 7.219 0.337 1.00 0.00 O ATOM 760 CB ARG A 54 -1.110 9.632 -0.638 1.00 0.00 C ATOM 761 CG ARG A 54 -2.182 10.654 -0.980 1.00 0.00 C ATOM 762 CD ARG A 54 -1.573 11.944 -1.508 1.00 0.00 C ATOM 763 NE ARG A 54 -1.390 11.909 -2.957 1.00 0.00 N ATOM 764 CZ ARG A 54 -0.968 12.948 -3.669 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.685 14.096 -3.070 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.826 12.838 -4.984 1.00 0.00 N ATOM 0 H ARG A 54 -1.724 8.364 1.697 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.393 7.990 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.575 9.963 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.384 9.594 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.859 10.238 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.778 10.868 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.216 12.783 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.611 12.115 -1.025 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.598 11.040 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.791 14.184 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.361 14.892 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.041 11.956 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.502 13.636 -5.530 1.00 0.00 H new ATOM 780 N GLY A 55 -0.610 6.317 -1.464 1.00 0.00 N ATOM 781 CA GLY A 55 0.412 5.301 -1.633 1.00 0.00 C ATOM 782 C GLY A 55 0.721 5.026 -3.091 1.00 0.00 C ATOM 783 O GLY A 55 -0.034 5.423 -3.979 1.00 0.00 O ATOM 0 H GLY A 55 -1.364 6.284 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.323 5.618 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.085 4.378 -1.154 1.00 0.00 H new ATOM 787 N VAL A 56 1.837 4.347 -3.341 1.00 0.00 N ATOM 788 CA VAL A 56 2.245 4.021 -4.702 1.00 0.00 C ATOM 789 C VAL A 56 1.724 2.650 -5.118 1.00 0.00 C ATOM 790 O VAL A 56 2.240 1.620 -4.682 1.00 0.00 O ATOM 791 CB VAL A 56 3.778 4.041 -4.848 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.184 3.658 -6.263 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.329 5.410 -4.479 1.00 0.00 C ATOM 0 H VAL A 56 2.474 4.012 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 56 1.815 4.783 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 56 4.201 3.307 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.271 3.678 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.821 2.655 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.752 4.367 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.414 5.407 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.900 6.165 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.068 5.641 -3.446 1.00 0.00 H new ATOM 803 N CYS A 57 0.699 2.644 -5.963 1.00 0.00 N ATOM 804 CA CYS A 57 0.107 1.398 -6.438 1.00 0.00 C ATOM 805 C CYS A 57 0.291 1.250 -7.945 1.00 0.00 C ATOM 806 O CYS A 57 -0.040 2.153 -8.714 1.00 0.00 O ATOM 807 CB CYS A 57 -1.380 1.349 -6.086 1.00 0.00 C ATOM 808 SG CYS A 57 -2.452 2.161 -7.294 1.00 0.00 S ATOM 0 H CYS A 57 0.261 3.487 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 57 0.616 0.570 -5.945 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.685 0.307 -5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.528 1.817 -5.113 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.775 2.413 -8.375 1.00 0.00 H new ATOM 814 N LYS A 58 0.821 0.105 -8.361 1.00 0.00 N ATOM 815 CA LYS A 58 1.050 -0.164 -9.776 1.00 0.00 C ATOM 816 C LYS A 58 1.694 1.037 -10.460 1.00 0.00 C ATOM 817 O LYS A 58 1.470 1.283 -11.645 1.00 0.00 O ATOM 818 CB LYS A 58 -0.269 -0.513 -10.470 1.00 0.00 C ATOM 819 CG LYS A 58 -0.861 -1.837 -10.019 1.00 0.00 C ATOM 820 CD LYS A 58 -1.969 -2.298 -10.951 1.00 0.00 C ATOM 821 CE LYS A 58 -2.074 -3.815 -10.984 1.00 0.00 C ATOM 822 NZ LYS A 58 -3.467 -4.269 -11.251 1.00 0.00 N ATOM 0 H LYS A 58 1.100 -0.653 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 58 1.730 -1.012 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.991 0.282 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.106 -0.546 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.077 -2.593 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.254 -1.735 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.919 -1.873 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.779 -1.923 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.410 -4.208 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.735 -4.223 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.497 -5.308 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.097 -3.915 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.782 -3.901 -12.171 1.00 0.00 H new ATOM 836 N GLY A 59 2.498 1.782 -9.707 1.00 0.00 N ATOM 837 CA GLY A 59 3.163 2.948 -10.259 1.00 0.00 C ATOM 838 C GLY A 59 2.261 4.165 -10.299 1.00 0.00 C ATOM 839 O GLY A 59 2.275 4.924 -11.269 1.00 0.00 O ATOM 0 H GLY A 59 2.701 1.599 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.047 3.174 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.508 2.722 -11.268 1.00 0.00 H new ATOM 843 N ARG A 60 1.474 4.352 -9.245 1.00 0.00 N ATOM 844 CA ARG A 60 0.560 5.485 -9.165 1.00 0.00 C ATOM 845 C ARG A 60 0.400 5.954 -7.722 1.00 0.00 C ATOM 846 O ARG A 60 0.034 5.174 -6.842 1.00 0.00 O ATOM 847 CB ARG A 60 -0.805 5.107 -9.744 1.00 0.00 C ATOM 848 CG ARG A 60 -0.881 5.235 -11.256 1.00 0.00 C ATOM 849 CD ARG A 60 -2.288 5.585 -11.715 1.00 0.00 C ATOM 850 NE ARG A 60 -2.581 5.049 -13.042 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.799 3.761 -13.282 1.00 0.00 C ATOM 852 NH1 ARG A 60 -2.760 2.882 -12.291 1.00 0.00 N ATOM 853 NH2 ARG A 60 -3.059 3.350 -14.517 1.00 0.00 N ATOM 0 H ARG A 60 1.451 3.733 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 60 0.982 6.303 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.038 4.080 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.569 5.742 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.185 6.004 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.569 4.298 -11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.011 5.194 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.406 6.669 -11.728 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.620 5.699 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.562 3.194 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.928 1.894 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.091 4.023 -15.282 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.226 2.361 -14.701 1.00 0.00 H new ATOM 867 N TYR A 61 0.677 7.231 -7.487 1.00 0.00 N ATOM 868 CA TYR A 61 0.567 7.804 -6.150 1.00 0.00 C ATOM 869 C TYR A 61 -0.558 8.832 -6.089 1.00 0.00 C ATOM 870 O TYR A 61 -0.458 9.914 -6.666 1.00 0.00 O ATOM 871 CB TYR A 61 1.890 8.454 -5.741 1.00 0.00 C ATOM 872 CG TYR A 61 1.807 9.231 -4.446 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.933 8.591 -3.219 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.605 10.606 -4.450 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.857 9.296 -2.034 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.530 11.320 -3.270 1.00 0.00 C ATOM 877 CZ TYR A 61 1.656 10.661 -2.064 1.00 0.00 C ATOM 878 OH TYR A 61 1.581 11.368 -0.886 1.00 0.00 O ATOM 0 H TYR A 61 0.979 7.890 -8.205 1.00 0.00 H new ATOM 0 HA TYR A 61 0.336 6.997 -5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.651 7.680 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.218 9.123 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.093 7.523 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.505 11.125 -5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.954 8.782 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.374 12.388 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 61 1.679 12.325 -1.072 1.00 0.00 H new ATOM 888 N GLY A 62 -1.631 8.485 -5.384 1.00 0.00 N ATOM 889 CA GLY A 62 -2.760 9.387 -5.259 1.00 0.00 C ATOM 890 C GLY A 62 -3.571 9.131 -4.003 1.00 0.00 C ATOM 891 O GLY A 62 -3.203 8.293 -3.178 1.00 0.00 O ATOM 0 H GLY A 62 -1.738 7.595 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.400 10.416 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.404 9.281 -6.132 1.00 0.00 H new ATOM 895 N LEU A 63 -4.675 9.854 -3.856 1.00 0.00 N ATOM 896 CA LEU A 63 -5.540 9.702 -2.691 1.00 0.00 C ATOM 897 C LEU A 63 -6.411 8.457 -2.818 1.00 0.00 C ATOM 898 O LEU A 63 -6.860 8.109 -3.911 1.00 0.00 O ATOM 899 CB LEU A 63 -6.422 10.940 -2.521 1.00 0.00 C ATOM 900 CG LEU A 63 -5.791 12.115 -1.773 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.363 13.434 -2.270 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.007 11.970 -0.273 1.00 0.00 C ATOM 0 H LEU A 63 -4.993 10.552 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.906 9.591 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.724 11.285 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.330 10.645 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.719 12.111 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.902 14.258 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.157 13.542 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.440 13.448 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.551 12.815 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.076 11.948 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.549 11.043 0.073 1.00 0.00 H new ATOM 914 N PHE A 64 -6.649 7.789 -1.694 1.00 0.00 N ATOM 915 CA PHE A 64 -7.468 6.583 -1.679 1.00 0.00 C ATOM 916 C PHE A 64 -8.033 6.326 -0.285 1.00 0.00 C ATOM 917 O PHE A 64 -7.379 6.564 0.731 1.00 0.00 O ATOM 918 CB PHE A 64 -6.646 5.377 -2.139 1.00 0.00 C ATOM 919 CG PHE A 64 -5.635 4.920 -1.127 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.039 4.300 0.045 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.280 5.110 -1.347 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.111 3.879 0.978 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.347 4.690 -0.417 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.763 4.073 0.746 1.00 0.00 C ATOM 0 H PHE A 64 -6.286 8.063 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.300 6.731 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.321 4.552 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.132 5.630 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.091 4.144 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.949 5.592 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.439 3.399 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.294 4.844 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.036 3.743 1.473 1.00 0.00 H new ATOM 934 N PRO A 65 -9.278 5.830 -0.234 1.00 0.00 N ATOM 935 CA PRO A 65 -9.959 5.530 1.029 1.00 0.00 C ATOM 936 C PRO A 65 -9.347 4.332 1.748 1.00 0.00 C ATOM 937 O PRO A 65 -9.182 3.263 1.162 1.00 0.00 O ATOM 938 CB PRO A 65 -11.392 5.216 0.593 1.00 0.00 C ATOM 939 CG PRO A 65 -11.267 4.753 -0.817 1.00 0.00 C ATOM 940 CD PRO A 65 -10.116 5.523 -1.404 1.00 0.00 C ATOM 0 HA PRO A 65 -9.885 6.355 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.838 4.447 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.030 6.097 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.081 3.680 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.186 4.940 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.574 4.933 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.454 6.430 -1.905 1.00 0.00 H new ATOM 948 N ALA A 66 -9.012 4.519 3.020 1.00 0.00 N ATOM 949 CA ALA A 66 -8.421 3.453 3.819 1.00 0.00 C ATOM 950 C ALA A 66 -9.452 2.381 4.155 1.00 0.00 C ATOM 951 O ALA A 66 -9.123 1.352 4.743 1.00 0.00 O ATOM 952 CB ALA A 66 -7.815 4.023 5.094 1.00 0.00 C ATOM 0 H ALA A 66 -9.140 5.399 3.519 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.631 2.987 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.377 3.216 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.041 4.746 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.593 4.516 5.678 1.00 0.00 H new ATOM 958 N ASN A 67 -10.702 2.630 3.777 1.00 0.00 N ATOM 959 CA ASN A 67 -11.782 1.686 4.039 1.00 0.00 C ATOM 960 C ASN A 67 -11.743 0.526 3.049 1.00 0.00 C ATOM 961 O ASN A 67 -12.024 -0.618 3.406 1.00 0.00 O ATOM 962 CB ASN A 67 -13.136 2.394 3.959 1.00 0.00 C ATOM 963 CG ASN A 67 -13.125 3.743 4.653 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.841 3.837 5.847 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.437 4.795 3.905 1.00 0.00 N ATOM 0 H ASN A 67 -10.992 3.477 3.288 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.647 1.287 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.411 2.529 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.901 1.762 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.448 5.728 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.666 4.670 2.919 1.00 0.00 H new ATOM 972 N TYR A 68 -11.392 0.830 1.804 1.00 0.00 N ATOM 973 CA TYR A 68 -11.318 -0.187 0.762 1.00 0.00 C ATOM 974 C TYR A 68 -10.006 -0.961 0.849 1.00 0.00 C ATOM 975 O TYR A 68 -9.662 -1.726 -0.053 1.00 0.00 O ATOM 976 CB TYR A 68 -11.452 0.458 -0.619 1.00 0.00 C ATOM 977 CG TYR A 68 -12.884 0.706 -1.035 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.571 1.831 -0.595 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.551 -0.185 -1.867 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.880 2.062 -0.972 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.859 0.039 -2.250 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.519 1.163 -1.800 1.00 0.00 C ATOM 983 OH TYR A 68 -16.823 1.389 -2.178 1.00 0.00 O ATOM 0 H TYR A 68 -11.155 1.772 1.492 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.142 -0.885 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.912 1.405 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.974 -0.184 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.073 2.537 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.038 -1.067 -2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.400 2.941 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.362 -0.663 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.125 0.663 -2.763 1.00 0.00 H new ATOM 993 N VAL A 69 -9.278 -0.758 1.942 1.00 0.00 N ATOM 994 CA VAL A 69 -8.005 -1.438 2.149 1.00 0.00 C ATOM 995 C VAL A 69 -7.792 -1.769 3.622 1.00 0.00 C ATOM 996 O VAL A 69 -8.514 -1.276 4.489 1.00 0.00 O ATOM 997 CB VAL A 69 -6.824 -0.583 1.651 1.00 0.00 C ATOM 998 CG1 VAL A 69 -6.985 -0.260 0.173 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.706 0.692 2.474 1.00 0.00 C ATOM 0 H VAL A 69 -9.548 -0.128 2.698 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.043 -2.363 1.573 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.905 -1.155 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.142 0.344 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.017 -1.186 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.911 0.294 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.867 1.284 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.625 1.270 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.541 0.436 3.521 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.797 -2.606 3.897 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.491 -3.003 5.267 1.00 0.00 C ATOM 1011 C GLU A 70 -4.984 -3.001 5.509 1.00 0.00 C ATOM 1012 O GLU A 70 -4.225 -3.640 4.778 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.064 -4.392 5.559 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.135 -4.721 7.041 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.575 -6.148 7.301 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.691 -6.512 6.876 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -6.802 -6.901 7.929 1.00 0.00 O ATOM 0 H GLU A 70 -6.190 -3.022 3.191 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.951 -2.280 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.064 -4.460 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.451 -5.141 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.156 -4.558 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.829 -4.036 7.529 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.557 -2.279 6.539 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.141 -2.193 6.879 1.00 0.00 C ATOM 1026 C LEU A 71 -2.611 -3.542 7.351 1.00 0.00 C ATOM 1027 O LEU A 71 -3.189 -4.171 8.239 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.921 -1.137 7.963 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.224 0.308 7.566 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.013 1.242 8.747 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.358 0.730 6.388 1.00 0.00 C ATOM 0 H LEU A 71 -5.171 -1.745 7.153 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.594 -1.904 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.540 -1.394 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.883 -1.192 8.290 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.269 0.370 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.234 2.266 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.676 0.953 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.978 1.177 9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.587 1.761 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.306 0.652 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.560 0.080 5.537 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.508 -3.981 6.754 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.900 -5.256 7.114 1.00 0.00 C ATOM 1045 C ARG A 72 -0.047 -5.115 8.372 1.00 0.00 C ATOM 1046 O ARG A 72 0.549 -4.066 8.614 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.043 -5.781 5.961 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.853 -6.221 4.752 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.060 -7.169 3.866 1.00 0.00 C ATOM 1050 NE ARG A 72 0.953 -6.468 3.082 1.00 0.00 N ATOM 1051 CZ ARG A 72 1.802 -7.079 2.263 1.00 0.00 C ATOM 1052 NH1 ARG A 72 1.759 -8.397 2.122 1.00 0.00 N ATOM 1053 NH2 ARG A 72 2.695 -6.372 1.583 1.00 0.00 N ATOM 0 H ARG A 72 -1.017 -3.472 6.019 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.701 -5.968 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.656 -5.003 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.552 -6.623 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.768 -6.711 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.152 -5.346 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.421 -7.926 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.741 -7.692 3.194 1.00 0.00 H new ATOM 0 HE ARG A 72 1.012 -5.453 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.073 -8.944 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.412 -8.864 1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.730 -5.358 1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.346 -6.842 0.955 1.00 0.00 H new