USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 35 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.9!) USER MOD Single : A 37 GLN : amide:sc= -0.505 K(o=-0.5,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.281) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.0081) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.223 F(o=-0.97,f=-0.22) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -3.47! C(o=-4.9!,f=-3.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.438 -5.359 -1.891 1.00 0.00 N ATOM 211 CA PRO A 17 9.127 -4.936 -1.388 1.00 0.00 C ATOM 212 C PRO A 17 7.978 -5.634 -2.108 1.00 0.00 C ATOM 213 O PRO A 17 8.198 -6.491 -2.964 1.00 0.00 O ATOM 214 CB PRO A 17 9.104 -3.433 -1.677 1.00 0.00 C ATOM 215 CG PRO A 17 10.043 -3.253 -2.820 1.00 0.00 C ATOM 216 CD PRO A 17 11.117 -4.290 -2.641 1.00 0.00 C ATOM 0 HA PRO A 17 8.995 -5.183 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.100 -3.094 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.423 -2.858 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.529 -3.384 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.467 -2.249 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.493 -4.648 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.971 -3.893 -2.091 1.00 0.00 H new ATOM 224 N ILE A 18 6.752 -5.262 -1.755 1.00 0.00 N ATOM 225 CA ILE A 18 5.569 -5.852 -2.368 1.00 0.00 C ATOM 226 C ILE A 18 4.694 -4.783 -3.014 1.00 0.00 C ATOM 227 O ILE A 18 4.774 -3.607 -2.663 1.00 0.00 O ATOM 228 CB ILE A 18 4.731 -6.633 -1.339 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.643 -7.430 -0.405 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.750 -7.557 -2.046 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.892 -8.234 0.633 1.00 0.00 C ATOM 0 H ILE A 18 6.552 -4.555 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 18 5.922 -6.542 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 18 4.163 -5.921 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.258 -8.105 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.321 -6.743 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.165 -8.102 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.082 -6.967 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.300 -8.265 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.602 -8.773 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.298 -7.563 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.234 -8.946 0.135 1.00 0.00 H new ATOM 243 N GLU A 19 3.857 -5.202 -3.958 1.00 0.00 N ATOM 244 CA GLU A 19 2.966 -4.280 -4.652 1.00 0.00 C ATOM 245 C GLU A 19 1.514 -4.514 -4.243 1.00 0.00 C ATOM 246 O GLU A 19 0.985 -5.616 -4.394 1.00 0.00 O ATOM 247 CB GLU A 19 3.112 -4.438 -6.167 1.00 0.00 C ATOM 248 CG GLU A 19 4.208 -3.573 -6.767 1.00 0.00 C ATOM 249 CD GLU A 19 4.277 -3.682 -8.277 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.218 -3.575 -8.930 1.00 0.00 O ATOM 251 OE2 GLU A 19 5.392 -3.875 -8.807 1.00 0.00 O ATOM 0 H GLU A 19 3.777 -6.173 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 19 3.245 -3.265 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.319 -5.483 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.163 -4.189 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.038 -2.533 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.169 -3.863 -6.341 1.00 0.00 H new ATOM 258 N VAL A 20 0.876 -3.470 -3.724 1.00 0.00 N ATOM 259 CA VAL A 20 -0.513 -3.561 -3.292 1.00 0.00 C ATOM 260 C VAL A 20 -1.346 -2.426 -3.879 1.00 0.00 C ATOM 261 O VAL A 20 -0.852 -1.316 -4.076 1.00 0.00 O ATOM 262 CB VAL A 20 -0.628 -3.526 -1.757 1.00 0.00 C ATOM 263 CG1 VAL A 20 0.090 -4.717 -1.140 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.075 -2.218 -1.211 1.00 0.00 C ATOM 0 H VAL A 20 1.299 -2.551 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.895 -4.515 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.682 -3.589 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.002 -4.675 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.357 -5.641 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.144 -4.689 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.164 -2.210 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.974 -2.122 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.638 -1.383 -1.627 1.00 0.00 H new ATOM 274 N THR A 21 -2.614 -2.712 -4.156 1.00 0.00 N ATOM 275 CA THR A 21 -3.516 -1.717 -4.721 1.00 0.00 C ATOM 276 C THR A 21 -4.447 -1.150 -3.655 1.00 0.00 C ATOM 277 O THR A 21 -5.122 -1.896 -2.947 1.00 0.00 O ATOM 278 CB THR A 21 -4.364 -2.310 -5.863 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.510 -2.803 -6.901 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.312 -1.265 -6.432 1.00 0.00 C ATOM 0 H THR A 21 -3.040 -3.625 -3.998 1.00 0.00 H new ATOM 0 HA THR A 21 -2.893 -0.916 -5.119 1.00 0.00 H new ATOM 0 HB THR A 21 -4.955 -3.132 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.056 -3.180 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.900 -1.707 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.980 -0.913 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.736 -0.426 -6.822 1.00 0.00 H new ATOM 288 N ALA A 22 -4.476 0.174 -3.546 1.00 0.00 N ATOM 289 CA ALA A 22 -5.326 0.841 -2.568 1.00 0.00 C ATOM 290 C ALA A 22 -6.800 0.696 -2.931 1.00 0.00 C ATOM 291 O ALA A 22 -7.261 1.247 -3.932 1.00 0.00 O ATOM 292 CB ALA A 22 -4.950 2.312 -2.457 1.00 0.00 C ATOM 0 H ALA A 22 -3.921 0.806 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.168 0.363 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.593 2.798 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.910 2.399 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.077 2.794 -3.426 1.00 0.00 H new ATOM 298 N LEU A 23 -7.536 -0.049 -2.113 1.00 0.00 N ATOM 299 CA LEU A 23 -8.959 -0.267 -2.349 1.00 0.00 C ATOM 300 C LEU A 23 -9.752 1.014 -2.114 1.00 0.00 C ATOM 301 O LEU A 23 -10.835 1.196 -2.670 1.00 0.00 O ATOM 302 CB LEU A 23 -9.482 -1.380 -1.438 1.00 0.00 C ATOM 303 CG LEU A 23 -8.790 -2.737 -1.571 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.350 -3.723 -0.558 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.942 -3.277 -2.985 1.00 0.00 C ATOM 0 H LEU A 23 -7.171 -0.512 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.089 -0.566 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.391 -1.048 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.545 -1.516 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.728 -2.603 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.846 -4.683 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.188 -3.341 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.419 -3.853 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.443 -4.243 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.000 -3.396 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.491 -2.580 -3.691 1.00 0.00 H new ATOM 317 N TYR A 24 -9.206 1.899 -1.288 1.00 0.00 N ATOM 318 CA TYR A 24 -9.863 3.163 -0.979 1.00 0.00 C ATOM 319 C TYR A 24 -8.841 4.284 -0.822 1.00 0.00 C ATOM 320 O TYR A 24 -7.655 4.033 -0.606 1.00 0.00 O ATOM 321 CB TYR A 24 -10.693 3.032 0.300 1.00 0.00 C ATOM 322 CG TYR A 24 -11.524 1.770 0.355 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.730 1.679 -0.330 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.106 0.670 1.093 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.494 0.529 -0.282 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.862 -0.485 1.145 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.055 -0.550 0.457 1.00 0.00 C ATOM 328 OH TYR A 24 -13.813 -1.698 0.508 1.00 0.00 O ATOM 0 H TYR A 24 -8.310 1.764 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.524 3.412 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.025 3.055 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.353 3.896 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.076 2.522 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.174 0.719 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.429 0.475 -0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.520 -1.332 1.721 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.363 -2.363 1.070 1.00 0.00 H new ATOM 338 N SER A 25 -9.309 5.523 -0.932 1.00 0.00 N ATOM 339 CA SER A 25 -8.437 6.685 -0.806 1.00 0.00 C ATOM 340 C SER A 25 -8.007 6.887 0.644 1.00 0.00 C ATOM 341 O SER A 25 -8.645 6.382 1.568 1.00 0.00 O ATOM 342 CB SER A 25 -9.145 7.940 -1.320 1.00 0.00 C ATOM 343 OG SER A 25 -9.837 7.676 -2.528 1.00 0.00 O ATOM 0 H SER A 25 -10.288 5.748 -1.108 1.00 0.00 H new ATOM 0 HA SER A 25 -7.547 6.507 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.846 8.300 -0.567 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.415 8.733 -1.481 1.00 0.00 H new ATOM 0 HG SER A 25 -10.282 8.493 -2.835 1.00 0.00 H new ATOM 349 N PHE A 26 -6.922 7.629 0.835 1.00 0.00 N ATOM 350 CA PHE A 26 -6.405 7.898 2.171 1.00 0.00 C ATOM 351 C PHE A 26 -5.612 9.202 2.196 1.00 0.00 C ATOM 352 O PHE A 26 -5.179 9.696 1.156 1.00 0.00 O ATOM 353 CB PHE A 26 -5.520 6.741 2.642 1.00 0.00 C ATOM 354 CG PHE A 26 -4.813 7.016 3.938 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.459 6.828 5.149 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.502 7.464 3.945 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.810 7.079 6.343 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.848 7.717 5.136 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.504 7.525 6.337 1.00 0.00 C ATOM 0 H PHE A 26 -6.383 8.055 0.081 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.254 7.996 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.134 5.847 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.779 6.524 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.482 6.481 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.985 7.617 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.325 6.926 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.825 8.064 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.996 7.724 7.269 1.00 0.00 H new ATOM 369 N GLU A 27 -5.428 9.753 3.392 1.00 0.00 N ATOM 370 CA GLU A 27 -4.689 11.000 3.551 1.00 0.00 C ATOM 371 C GLU A 27 -3.876 10.989 4.843 1.00 0.00 C ATOM 372 O GLU A 27 -4.427 11.097 5.937 1.00 0.00 O ATOM 373 CB GLU A 27 -5.649 12.191 3.550 1.00 0.00 C ATOM 374 CG GLU A 27 -5.994 12.693 2.158 1.00 0.00 C ATOM 375 CD GLU A 27 -7.147 13.679 2.163 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.309 13.235 2.054 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.886 14.895 2.276 1.00 0.00 O ATOM 0 H GLU A 27 -5.780 9.356 4.263 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.002 11.096 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.568 11.907 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.204 13.006 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.117 13.168 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.249 11.845 1.523 1.00 0.00 H new ATOM 384 N GLY A 28 -2.560 10.857 4.706 1.00 0.00 N ATOM 385 CA GLY A 28 -1.692 10.833 5.869 1.00 0.00 C ATOM 386 C GLY A 28 -1.982 11.966 6.832 1.00 0.00 C ATOM 387 O GLY A 28 -1.582 13.106 6.598 1.00 0.00 O ATOM 0 H GLY A 28 -2.080 10.766 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.810 9.881 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.653 10.893 5.544 1.00 0.00 H new ATOM 439 N GLY A 32 4.206 12.156 9.021 1.00 0.00 N ATOM 440 CA GLY A 32 5.073 11.056 8.641 1.00 0.00 C ATOM 441 C GLY A 32 4.309 9.900 8.028 1.00 0.00 C ATOM 442 O GLY A 32 4.741 8.750 8.107 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.817 11.413 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.615 10.704 9.519 1.00 0.00 H new ATOM 446 N ASP A 33 3.169 10.204 7.417 1.00 0.00 N ATOM 447 CA ASP A 33 2.341 9.181 6.789 1.00 0.00 C ATOM 448 C ASP A 33 2.437 9.264 5.268 1.00 0.00 C ATOM 449 O ASP A 33 3.211 10.053 4.726 1.00 0.00 O ATOM 450 CB ASP A 33 0.885 9.331 7.230 1.00 0.00 C ATOM 451 CG ASP A 33 0.697 9.064 8.710 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.710 9.037 9.441 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.462 8.881 9.139 1.00 0.00 O ATOM 0 H ASP A 33 2.797 11.151 7.343 1.00 0.00 H new ATOM 0 HA ASP A 33 2.709 8.205 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.541 10.339 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.263 8.643 6.658 1.00 0.00 H new ATOM 458 N LEU A 34 1.645 8.443 4.586 1.00 0.00 N ATOM 459 CA LEU A 34 1.641 8.422 3.127 1.00 0.00 C ATOM 460 C LEU A 34 0.256 8.758 2.582 1.00 0.00 C ATOM 461 O LEU A 34 -0.759 8.353 3.147 1.00 0.00 O ATOM 462 CB LEU A 34 2.084 7.050 2.616 1.00 0.00 C ATOM 463 CG LEU A 34 2.193 6.903 1.098 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.510 7.477 0.600 1.00 0.00 C ATOM 465 CD2 LEU A 34 2.058 5.443 0.693 1.00 0.00 C ATOM 0 H LEU A 34 0.998 7.784 5.019 1.00 0.00 H new ATOM 0 HA LEU A 34 2.343 9.178 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.055 6.817 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.381 6.303 2.984 1.00 0.00 H new ATOM 0 HG LEU A 34 1.379 7.463 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.570 7.364 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.567 8.535 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.339 6.945 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.138 5.357 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.850 4.860 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.089 5.064 1.016 1.00 0.00 H new ATOM 477 N ASN A 35 0.224 9.500 1.480 1.00 0.00 N ATOM 478 CA ASN A 35 -1.036 9.889 0.857 1.00 0.00 C ATOM 479 C ASN A 35 -1.246 9.144 -0.458 1.00 0.00 C ATOM 480 O ASN A 35 -0.400 9.190 -1.352 1.00 0.00 O ATOM 481 CB ASN A 35 -1.062 11.399 0.610 1.00 0.00 C ATOM 482 CG ASN A 35 -1.448 12.181 1.851 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.587 12.628 1.987 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.498 12.349 2.763 1.00 0.00 N ATOM 0 H ASN A 35 1.056 9.844 1.000 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.846 9.624 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.080 11.726 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.768 11.621 -0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.698 12.866 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.432 11.961 2.608 1.00 0.00 H new ATOM 491 N PHE A 36 -2.379 8.459 -0.569 1.00 0.00 N ATOM 492 CA PHE A 36 -2.700 7.703 -1.774 1.00 0.00 C ATOM 493 C PHE A 36 -4.193 7.781 -2.082 1.00 0.00 C ATOM 494 O PHE A 36 -4.974 8.306 -1.290 1.00 0.00 O ATOM 495 CB PHE A 36 -2.276 6.242 -1.614 1.00 0.00 C ATOM 496 CG PHE A 36 -2.915 5.558 -0.439 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.369 5.676 0.829 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.062 4.797 -0.602 1.00 0.00 C ATOM 499 CE1 PHE A 36 -2.954 5.046 1.912 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.652 4.166 0.477 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.098 4.292 1.736 1.00 0.00 C ATOM 0 H PHE A 36 -3.090 8.412 0.161 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.151 8.143 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.529 5.697 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.192 6.196 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.476 6.267 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.500 4.696 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.517 5.143 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.545 3.575 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.558 3.802 2.581 1.00 0.00 H new ATOM 511 N GLN A 37 -4.580 7.254 -3.240 1.00 0.00 N ATOM 512 CA GLN A 37 -5.978 7.265 -3.654 1.00 0.00 C ATOM 513 C GLN A 37 -6.429 5.873 -4.084 1.00 0.00 C ATOM 514 O GLN A 37 -5.620 5.056 -4.524 1.00 0.00 O ATOM 515 CB GLN A 37 -6.185 8.258 -4.799 1.00 0.00 C ATOM 516 CG GLN A 37 -5.919 9.702 -4.407 1.00 0.00 C ATOM 517 CD GLN A 37 -4.452 10.073 -4.505 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.801 10.351 -3.498 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.923 10.077 -5.723 1.00 0.00 N ATOM 0 H GLN A 37 -3.946 6.815 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.581 7.575 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.529 7.988 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.209 8.172 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.500 10.362 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.264 9.867 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.500 9.840 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.940 10.317 -5.851 1.00 0.00 H new ATOM 528 N ALA A 38 -7.725 5.609 -3.954 1.00 0.00 N ATOM 529 CA ALA A 38 -8.283 4.317 -4.332 1.00 0.00 C ATOM 530 C ALA A 38 -7.796 3.890 -5.712 1.00 0.00 C ATOM 531 O ALA A 38 -8.264 4.398 -6.731 1.00 0.00 O ATOM 532 CB ALA A 38 -9.803 4.369 -4.299 1.00 0.00 C ATOM 0 H ALA A 38 -8.408 6.273 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.940 3.576 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.207 3.397 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.137 4.620 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.156 5.127 -4.998 1.00 0.00 H new ATOM 538 N GLY A 39 -6.852 2.954 -5.739 1.00 0.00 N ATOM 539 CA GLY A 39 -6.316 2.476 -7.000 1.00 0.00 C ATOM 540 C GLY A 39 -4.809 2.610 -7.078 1.00 0.00 C ATOM 541 O GLY A 39 -4.132 1.762 -7.659 1.00 0.00 O ATOM 0 H GLY A 39 -6.449 2.518 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.592 1.430 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.770 3.034 -7.819 1.00 0.00 H new ATOM 545 N ASP A 40 -4.281 3.679 -6.492 1.00 0.00 N ATOM 546 CA ASP A 40 -2.843 3.922 -6.497 1.00 0.00 C ATOM 547 C ASP A 40 -2.089 2.741 -5.895 1.00 0.00 C ATOM 548 O ASP A 40 -2.426 2.266 -4.810 1.00 0.00 O ATOM 549 CB ASP A 40 -2.517 5.200 -5.723 1.00 0.00 C ATOM 550 CG ASP A 40 -2.531 6.432 -6.606 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.502 6.706 -7.259 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.570 7.123 -6.644 1.00 0.00 O ATOM 0 H ASP A 40 -4.827 4.391 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.524 4.043 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.239 5.327 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.536 5.100 -5.260 1.00 0.00 H new ATOM 557 N ARG A 41 -1.069 2.271 -6.606 1.00 0.00 N ATOM 558 CA ARG A 41 -0.270 1.144 -6.142 1.00 0.00 C ATOM 559 C ARG A 41 0.813 1.608 -5.172 1.00 0.00 C ATOM 560 O ARG A 41 1.551 2.552 -5.456 1.00 0.00 O ATOM 561 CB ARG A 41 0.369 0.421 -7.329 1.00 0.00 C ATOM 562 CG ARG A 41 -0.595 -0.477 -8.087 1.00 0.00 C ATOM 563 CD ARG A 41 -1.478 0.324 -9.030 1.00 0.00 C ATOM 564 NE ARG A 41 -0.849 0.521 -10.334 1.00 0.00 N ATOM 565 CZ ARG A 41 -1.345 1.315 -11.277 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.470 1.982 -11.061 1.00 0.00 N ATOM 567 NH2 ARG A 41 -0.715 1.442 -12.437 1.00 0.00 N ATOM 0 H ARG A 41 -0.777 2.653 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.931 0.454 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.779 1.161 -8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.205 -0.179 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.033 -1.218 -8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.218 -1.023 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.430 -0.191 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.699 1.294 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 41 0.018 0.022 -10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.957 1.886 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.849 2.591 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.151 0.930 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.096 2.052 -13.160 1.00 0.00 H new ATOM 581 N ILE A 42 0.901 0.938 -4.027 1.00 0.00 N ATOM 582 CA ILE A 42 1.894 1.282 -3.017 1.00 0.00 C ATOM 583 C ILE A 42 2.926 0.170 -2.860 1.00 0.00 C ATOM 584 O ILE A 42 2.577 -0.990 -2.641 1.00 0.00 O ATOM 585 CB ILE A 42 1.236 1.553 -1.651 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.249 2.717 -1.758 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.297 1.845 -0.601 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.910 2.617 -0.791 1.00 0.00 C ATOM 0 H ILE A 42 0.297 0.155 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 42 2.391 2.190 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 42 0.686 0.663 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.781 3.651 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.140 2.761 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.817 2.034 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.964 0.988 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.872 2.722 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.569 3.475 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.466 1.700 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.531 2.604 0.231 1.00 0.00 H new ATOM 600 N THR A 43 4.200 0.533 -2.972 1.00 0.00 N ATOM 601 CA THR A 43 5.284 -0.433 -2.842 1.00 0.00 C ATOM 602 C THR A 43 5.577 -0.736 -1.377 1.00 0.00 C ATOM 603 O THR A 43 6.346 -0.027 -0.727 1.00 0.00 O ATOM 604 CB THR A 43 6.572 0.074 -3.517 1.00 0.00 C ATOM 605 OG1 THR A 43 6.296 0.468 -4.866 1.00 0.00 O ATOM 606 CG2 THR A 43 7.648 -1.001 -3.507 1.00 0.00 C ATOM 0 H THR A 43 4.506 1.489 -3.152 1.00 0.00 H new ATOM 0 HA THR A 43 4.956 -1.345 -3.341 1.00 0.00 H new ATOM 0 HB THR A 43 6.936 0.934 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.120 0.791 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.548 -0.619 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.877 -1.277 -2.478 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.291 -1.878 -4.047 1.00 0.00 H new ATOM 614 N VAL A 44 4.961 -1.795 -0.861 1.00 0.00 N ATOM 615 CA VAL A 44 5.157 -2.193 0.527 1.00 0.00 C ATOM 616 C VAL A 44 6.621 -2.516 0.804 1.00 0.00 C ATOM 617 O VAL A 44 7.142 -3.531 0.342 1.00 0.00 O ATOM 618 CB VAL A 44 4.296 -3.418 0.887 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.508 -3.812 2.341 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.827 -3.136 0.611 1.00 0.00 C ATOM 0 H VAL A 44 4.322 -2.393 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 44 4.850 -1.349 1.145 1.00 0.00 H new ATOM 0 HB VAL A 44 4.606 -4.255 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.891 -4.679 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.558 -4.059 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.227 -2.981 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.233 -4.012 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.501 -2.286 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.693 -2.908 -0.446 1.00 0.00 H new ATOM 630 N ILE A 45 7.280 -1.645 1.562 1.00 0.00 N ATOM 631 CA ILE A 45 8.684 -1.838 1.902 1.00 0.00 C ATOM 632 C ILE A 45 8.832 -2.537 3.250 1.00 0.00 C ATOM 633 O ILE A 45 9.702 -3.390 3.426 1.00 0.00 O ATOM 634 CB ILE A 45 9.443 -0.499 1.945 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.570 0.586 2.580 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.872 -0.088 0.544 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.319 1.866 2.879 1.00 0.00 C ATOM 0 H ILE A 45 6.864 -0.799 1.952 1.00 0.00 H new ATOM 0 HA ILE A 45 9.114 -2.465 1.121 1.00 0.00 H new ATOM 0 HB ILE A 45 10.337 -0.624 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.738 0.809 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.141 0.201 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.407 0.860 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.525 -0.853 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.991 0.023 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.638 2.590 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.134 1.657 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.725 2.275 1.954 1.00 0.00 H new ATOM 649 N SER A 46 7.976 -2.169 4.198 1.00 0.00 N ATOM 650 CA SER A 46 8.012 -2.759 5.531 1.00 0.00 C ATOM 651 C SER A 46 6.601 -2.974 6.069 1.00 0.00 C ATOM 652 O SER A 46 5.893 -2.018 6.388 1.00 0.00 O ATOM 653 CB SER A 46 8.804 -1.864 6.486 1.00 0.00 C ATOM 654 OG SER A 46 9.315 -2.609 7.578 1.00 0.00 O ATOM 0 H SER A 46 7.249 -1.465 4.068 1.00 0.00 H new ATOM 0 HA SER A 46 8.505 -3.728 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.626 -1.391 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.162 -1.064 6.856 1.00 0.00 H new ATOM 0 HG SER A 46 9.818 -2.015 8.173 1.00 0.00 H new ATOM 660 N LYS A 47 6.198 -4.236 6.167 1.00 0.00 N ATOM 661 CA LYS A 47 4.872 -4.579 6.667 1.00 0.00 C ATOM 662 C LYS A 47 4.964 -5.597 7.800 1.00 0.00 C ATOM 663 O LYS A 47 6.049 -6.077 8.131 1.00 0.00 O ATOM 664 CB LYS A 47 4.006 -5.137 5.536 1.00 0.00 C ATOM 665 CG LYS A 47 4.326 -6.578 5.179 1.00 0.00 C ATOM 666 CD LYS A 47 3.408 -7.099 4.085 1.00 0.00 C ATOM 667 CE LYS A 47 3.231 -8.607 4.177 1.00 0.00 C ATOM 668 NZ LYS A 47 4.528 -9.326 4.047 1.00 0.00 N ATOM 0 H LYS A 47 6.771 -5.039 5.907 1.00 0.00 H new ATOM 0 HA LYS A 47 4.412 -3.670 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.957 -5.067 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.135 -4.515 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.363 -6.651 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.228 -7.204 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.436 -6.612 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.819 -6.839 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.769 -8.861 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.550 -8.941 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.357 -10.290 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.142 -8.817 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.993 -9.374 4.976 1.00 0.00 H new ATOM 682 N THR A 48 3.819 -5.924 8.391 1.00 0.00 N ATOM 683 CA THR A 48 3.770 -6.884 9.486 1.00 0.00 C ATOM 684 C THR A 48 2.884 -8.074 9.135 1.00 0.00 C ATOM 685 O THR A 48 2.320 -8.139 8.042 1.00 0.00 O ATOM 686 CB THR A 48 3.249 -6.234 10.781 1.00 0.00 C ATOM 687 OG1 THR A 48 1.917 -5.746 10.582 1.00 0.00 O ATOM 688 CG2 THR A 48 4.154 -5.091 11.216 1.00 0.00 C ATOM 0 H THR A 48 2.912 -5.537 8.129 1.00 0.00 H new ATOM 0 HA THR A 48 4.791 -7.230 9.648 1.00 0.00 H new ATOM 0 HB THR A 48 3.245 -6.991 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.592 -5.335 11.410 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.765 -4.648 12.133 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.160 -5.471 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.186 -4.334 10.432 1.00 0.00 H new ATOM 696 N ASP A 49 2.764 -9.012 10.068 1.00 0.00 N ATOM 697 CA ASP A 49 1.944 -10.199 9.857 1.00 0.00 C ATOM 698 C ASP A 49 0.489 -9.927 10.227 1.00 0.00 C ATOM 699 O ASP A 49 -0.292 -10.855 10.437 1.00 0.00 O ATOM 700 CB ASP A 49 2.482 -11.369 10.682 1.00 0.00 C ATOM 701 CG ASP A 49 1.679 -12.639 10.478 1.00 0.00 C ATOM 702 OD1 ASP A 49 1.258 -12.897 9.330 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.474 -13.376 11.464 1.00 0.00 O ATOM 0 H ASP A 49 3.224 -8.973 10.978 1.00 0.00 H new ATOM 0 HA ASP A 49 1.989 -10.459 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.522 -11.553 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.470 -11.101 11.738 1.00 0.00 H new ATOM 708 N SER A 50 0.133 -8.649 10.305 1.00 0.00 N ATOM 709 CA SER A 50 -1.227 -8.254 10.654 1.00 0.00 C ATOM 710 C SER A 50 -1.788 -7.273 9.629 1.00 0.00 C ATOM 711 O SER A 50 -1.110 -6.330 9.220 1.00 0.00 O ATOM 712 CB SER A 50 -1.256 -7.625 12.048 1.00 0.00 C ATOM 713 OG SER A 50 -1.186 -8.618 13.057 1.00 0.00 O ATOM 0 H SER A 50 0.767 -7.869 10.131 1.00 0.00 H new ATOM 0 HA SER A 50 -1.850 -9.148 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.421 -6.933 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.170 -7.043 12.169 1.00 0.00 H new ATOM 0 HG SER A 50 -1.204 -8.190 13.939 1.00 0.00 H new ATOM 719 N HIS A 51 -3.031 -7.503 9.218 1.00 0.00 N ATOM 720 CA HIS A 51 -3.685 -6.639 8.241 1.00 0.00 C ATOM 721 C HIS A 51 -4.156 -5.342 8.891 1.00 0.00 C ATOM 722 O HIS A 51 -3.655 -4.262 8.579 1.00 0.00 O ATOM 723 CB HIS A 51 -4.871 -7.363 7.602 1.00 0.00 C ATOM 724 CG HIS A 51 -4.544 -8.747 7.130 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.443 -9.791 7.182 1.00 0.00 N ATOM 726 CD2 HIS A 51 -3.410 -9.255 6.594 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.876 -10.882 6.699 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.642 -10.583 6.335 1.00 0.00 N ATOM 0 H HIS A 51 -3.605 -8.280 9.546 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.958 -6.393 7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.685 -7.417 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.233 -6.776 6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.493 -8.716 6.405 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.342 -11.853 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.970 -11.233 5.927 1.00 0.00 H new ATOM 737 N PHE A 52 -5.122 -5.456 9.796 1.00 0.00 N ATOM 738 CA PHE A 52 -5.662 -4.293 10.489 1.00 0.00 C ATOM 739 C PHE A 52 -4.555 -3.297 10.825 1.00 0.00 C ATOM 740 O PHE A 52 -4.747 -2.085 10.736 1.00 0.00 O ATOM 741 CB PHE A 52 -6.381 -4.723 11.769 1.00 0.00 C ATOM 742 CG PHE A 52 -7.236 -3.643 12.369 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.472 -3.337 11.822 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.804 -2.934 13.478 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.261 -2.344 12.371 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.589 -1.941 14.031 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.819 -1.644 13.477 1.00 0.00 C ATOM 0 H PHE A 52 -5.547 -6.343 10.067 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.376 -3.806 9.825 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.005 -5.590 11.552 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.640 -5.039 12.504 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.823 -3.881 10.957 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.843 -3.160 13.915 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.223 -2.115 11.936 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.241 -1.397 14.897 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.433 -0.867 13.907 1.00 0.00 H new ATOM 757 N ASP A 53 -3.396 -3.819 11.212 1.00 0.00 N ATOM 758 CA ASP A 53 -2.257 -2.978 11.561 1.00 0.00 C ATOM 759 C ASP A 53 -1.852 -2.096 10.384 1.00 0.00 C ATOM 760 O ASP A 53 -2.289 -2.313 9.254 1.00 0.00 O ATOM 761 CB ASP A 53 -1.072 -3.842 11.997 1.00 0.00 C ATOM 762 CG ASP A 53 -1.314 -4.525 13.329 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.331 -5.240 13.454 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.486 -4.346 14.246 1.00 0.00 O ATOM 0 H ASP A 53 -3.221 -4.821 11.292 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.553 -2.335 12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.876 -4.597 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.179 -3.221 12.067 1.00 0.00 H new ATOM 769 N TRP A 54 -1.017 -1.100 10.657 1.00 0.00 N ATOM 770 CA TRP A 54 -0.554 -0.184 9.621 1.00 0.00 C ATOM 771 C TRP A 54 0.811 -0.607 9.090 1.00 0.00 C ATOM 772 O TRP A 54 1.710 -0.941 9.861 1.00 0.00 O ATOM 773 CB TRP A 54 -0.483 1.243 10.167 1.00 0.00 C ATOM 774 CG TRP A 54 -1.824 1.900 10.288 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.948 1.372 10.858 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.183 3.208 9.828 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.983 2.272 10.779 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.539 3.406 10.152 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.489 4.230 9.175 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.213 4.585 9.844 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.159 5.400 8.869 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.509 5.570 9.204 1.00 0.00 C ATOM 0 H TRP A 54 -0.647 -0.906 11.587 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.268 -0.215 8.798 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.005 1.226 11.146 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.150 1.843 9.514 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.013 0.391 11.305 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.929 2.120 11.130 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.448 4.108 8.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.254 4.718 10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.633 6.196 8.363 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.004 6.496 8.952 1.00 0.00 H new ATOM 793 N TRP A 55 0.958 -0.591 7.770 1.00 0.00 N ATOM 794 CA TRP A 55 2.215 -0.973 7.137 1.00 0.00 C ATOM 795 C TRP A 55 2.916 0.243 6.541 1.00 0.00 C ATOM 796 O TRP A 55 2.357 1.338 6.508 1.00 0.00 O ATOM 797 CB TRP A 55 1.965 -2.018 6.048 1.00 0.00 C ATOM 798 CG TRP A 55 1.397 -3.301 6.576 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.445 -3.750 7.865 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.698 -4.301 5.827 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.818 -4.969 7.962 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.351 -5.328 6.726 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.330 -4.427 4.485 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.345 -6.465 6.324 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.360 -5.557 4.087 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.693 -6.563 5.004 1.00 0.00 C ATOM 0 H TRP A 55 0.223 -0.318 7.118 1.00 0.00 H new ATOM 0 HA TRP A 55 2.862 -1.403 7.902 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.281 -1.604 5.307 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.903 -2.228 5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.908 -3.224 8.687 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.717 -5.517 8.816 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.580 -3.656 3.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.601 -7.242 7.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.647 -5.666 3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.235 -7.433 4.662 1.00 0.00 H new ATOM 817 N GLU A 56 4.143 0.041 6.069 1.00 0.00 N ATOM 818 CA GLU A 56 4.919 1.123 5.475 1.00 0.00 C ATOM 819 C GLU A 56 5.247 0.819 4.016 1.00 0.00 C ATOM 820 O GLU A 56 5.909 -0.173 3.711 1.00 0.00 O ATOM 821 CB GLU A 56 6.211 1.347 6.264 1.00 0.00 C ATOM 822 CG GLU A 56 6.879 2.681 5.971 1.00 0.00 C ATOM 823 CD GLU A 56 8.038 2.969 6.905 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.124 2.389 6.700 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.858 3.776 7.841 1.00 0.00 O ATOM 0 H GLU A 56 4.620 -0.861 6.087 1.00 0.00 H new ATOM 0 HA GLU A 56 4.317 2.031 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.991 1.286 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.910 0.542 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.237 2.686 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.141 3.479 6.056 1.00 0.00 H new ATOM 832 N GLY A 57 4.779 1.680 3.117 1.00 0.00 N ATOM 833 CA GLY A 57 5.032 1.486 1.702 1.00 0.00 C ATOM 834 C GLY A 57 5.542 2.744 1.026 1.00 0.00 C ATOM 835 O GLY A 57 5.652 3.795 1.657 1.00 0.00 O ATOM 0 H GLY A 57 4.229 2.508 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.762 0.687 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.114 1.161 1.213 1.00 0.00 H new ATOM 839 N LYS A 58 5.856 2.636 -0.260 1.00 0.00 N ATOM 840 CA LYS A 58 6.358 3.773 -1.023 1.00 0.00 C ATOM 841 C LYS A 58 5.468 4.056 -2.229 1.00 0.00 C ATOM 842 O LYS A 58 5.073 3.139 -2.951 1.00 0.00 O ATOM 843 CB LYS A 58 7.793 3.509 -1.486 1.00 0.00 C ATOM 844 CG LYS A 58 8.847 3.962 -0.490 1.00 0.00 C ATOM 845 CD LYS A 58 10.097 3.102 -0.572 1.00 0.00 C ATOM 846 CE LYS A 58 11.053 3.609 -1.641 1.00 0.00 C ATOM 847 NZ LYS A 58 11.984 4.642 -1.108 1.00 0.00 N ATOM 0 H LYS A 58 5.772 1.772 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 58 6.347 4.648 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.915 2.442 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.959 4.019 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.107 5.003 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.438 3.917 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.600 3.097 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.817 2.072 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.628 2.773 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.482 4.028 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.619 4.962 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.437 5.451 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.547 4.236 -0.334 1.00 0.00 H new ATOM 861 N LEU A 59 5.155 5.329 -2.442 1.00 0.00 N ATOM 862 CA LEU A 59 4.311 5.732 -3.562 1.00 0.00 C ATOM 863 C LEU A 59 4.861 6.987 -4.233 1.00 0.00 C ATOM 864 O LEU A 59 5.123 7.992 -3.573 1.00 0.00 O ATOM 865 CB LEU A 59 2.880 5.982 -3.084 1.00 0.00 C ATOM 866 CG LEU A 59 2.024 6.888 -3.970 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.501 6.118 -5.172 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.873 7.481 -3.171 1.00 0.00 C ATOM 0 H LEU A 59 5.473 6.100 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 59 4.307 4.923 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.377 5.020 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.923 6.419 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 59 2.647 7.706 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.894 6.779 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.341 5.742 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.893 5.280 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.274 8.123 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.249 6.677 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.270 8.068 -2.343 1.00 0.00 H new ATOM 880 N ARG A 60 5.031 6.921 -5.550 1.00 0.00 N ATOM 881 CA ARG A 60 5.548 8.051 -6.311 1.00 0.00 C ATOM 882 C ARG A 60 6.738 8.687 -5.598 1.00 0.00 C ATOM 883 O ARG A 60 6.893 9.908 -5.594 1.00 0.00 O ATOM 884 CB ARG A 60 4.451 9.095 -6.524 1.00 0.00 C ATOM 885 CG ARG A 60 3.142 8.508 -7.027 1.00 0.00 C ATOM 886 CD ARG A 60 3.315 7.841 -8.382 1.00 0.00 C ATOM 887 NE ARG A 60 3.268 8.805 -9.478 1.00 0.00 N ATOM 888 CZ ARG A 60 3.830 8.599 -10.663 1.00 0.00 C ATOM 889 NH1 ARG A 60 4.478 7.468 -10.905 1.00 0.00 N ATOM 890 NH2 ARG A 60 3.744 9.524 -11.610 1.00 0.00 N ATOM 0 H ARG A 60 4.818 6.096 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 60 5.881 7.682 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.269 9.615 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.803 9.840 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.768 7.780 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.393 9.297 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.267 7.311 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.532 7.096 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 60 2.776 9.685 -9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.546 6.754 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.909 7.312 -11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.246 10.395 -11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.176 9.364 -12.520 1.00 0.00 H new ATOM 904 N GLY A 61 7.577 7.851 -4.995 1.00 0.00 N ATOM 905 CA GLY A 61 8.742 8.349 -4.287 1.00 0.00 C ATOM 906 C GLY A 61 8.451 8.648 -2.830 1.00 0.00 C ATOM 907 O GLY A 61 9.340 8.567 -1.984 1.00 0.00 O ATOM 0 H GLY A 61 7.471 6.837 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.544 7.613 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.101 9.255 -4.776 1.00 0.00 H new ATOM 911 N GLN A 62 7.202 8.997 -2.537 1.00 0.00 N ATOM 912 CA GLN A 62 6.797 9.312 -1.172 1.00 0.00 C ATOM 913 C GLN A 62 6.863 8.073 -0.286 1.00 0.00 C ATOM 914 O GLN A 62 6.698 6.948 -0.759 1.00 0.00 O ATOM 915 CB GLN A 62 5.381 9.889 -1.158 1.00 0.00 C ATOM 916 CG GLN A 62 5.326 11.375 -1.478 1.00 0.00 C ATOM 917 CD GLN A 62 5.470 11.658 -2.960 1.00 0.00 C ATOM 918 OE1 GLN A 62 4.515 11.181 -3.750 1.00 0.00 O flip ATOM 919 NE2 GLN A 62 6.428 12.300 -3.391 1.00 0.00 N flip ATOM 0 H GLN A 62 6.454 9.069 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 62 7.488 10.056 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.770 9.347 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.939 9.721 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.380 11.784 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.119 11.889 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.139 12.648 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.510 12.484 -4.391 1.00 0.00 H new ATOM 928 N THR A 63 7.105 8.286 1.004 1.00 0.00 N ATOM 929 CA THR A 63 7.195 7.187 1.957 1.00 0.00 C ATOM 930 C THR A 63 6.390 7.485 3.217 1.00 0.00 C ATOM 931 O THR A 63 6.331 8.627 3.672 1.00 0.00 O ATOM 932 CB THR A 63 8.656 6.902 2.350 1.00 0.00 C ATOM 933 OG1 THR A 63 9.521 7.146 1.235 1.00 0.00 O ATOM 934 CG2 THR A 63 8.820 5.464 2.819 1.00 0.00 C ATOM 0 H THR A 63 7.242 9.210 1.413 1.00 0.00 H new ATOM 0 HA THR A 63 6.781 6.307 1.464 1.00 0.00 H new ATOM 0 HB THR A 63 8.924 7.568 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.448 6.964 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.860 5.286 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.183 5.289 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.534 4.785 2.016 1.00 0.00 H new ATOM 942 N GLY A 64 5.772 6.450 3.778 1.00 0.00 N ATOM 943 CA GLY A 64 4.979 6.622 4.981 1.00 0.00 C ATOM 944 C GLY A 64 4.214 5.368 5.356 1.00 0.00 C ATOM 945 O GLY A 64 4.310 4.348 4.674 1.00 0.00 O ATOM 0 H GLY A 64 5.807 5.495 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.633 6.905 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.276 7.442 4.835 1.00 0.00 H new ATOM 949 N ILE A 65 3.455 5.444 6.444 1.00 0.00 N ATOM 950 CA ILE A 65 2.672 4.305 6.908 1.00 0.00 C ATOM 951 C ILE A 65 1.211 4.438 6.493 1.00 0.00 C ATOM 952 O ILE A 65 0.730 5.537 6.215 1.00 0.00 O ATOM 953 CB ILE A 65 2.748 4.157 8.439 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.244 5.430 9.123 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.173 3.845 8.871 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.683 5.191 10.507 1.00 0.00 C ATOM 0 H ILE A 65 3.366 6.281 7.020 1.00 0.00 H new ATOM 0 HA ILE A 65 3.100 3.417 6.444 1.00 0.00 H new ATOM 0 HB ILE A 65 2.108 3.328 8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.064 6.145 9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.474 5.886 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.210 3.743 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.498 2.913 8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.833 4.655 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.345 6.137 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.842 4.500 10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.457 4.764 11.144 1.00 0.00 H new ATOM 968 N PHE A 66 0.507 3.311 6.456 1.00 0.00 N ATOM 969 CA PHE A 66 -0.901 3.301 6.076 1.00 0.00 C ATOM 970 C PHE A 66 -1.558 1.979 6.461 1.00 0.00 C ATOM 971 O PHE A 66 -0.911 0.935 6.544 1.00 0.00 O ATOM 972 CB PHE A 66 -1.046 3.536 4.571 1.00 0.00 C ATOM 973 CG PHE A 66 -0.494 2.419 3.733 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.843 2.401 3.373 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.313 1.386 3.306 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.353 1.374 2.601 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.809 0.356 2.535 1.00 0.00 C ATOM 978 CZ PHE A 66 0.527 0.349 2.183 1.00 0.00 C ATOM 0 H PHE A 66 0.889 2.393 6.685 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.403 4.106 6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.101 3.671 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.538 4.463 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.495 3.198 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.358 1.386 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.397 1.373 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.459 -0.442 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.924 -0.456 1.583 1.00 0.00 H new ATOM 988 N PRO A 67 -2.877 2.023 6.703 1.00 0.00 N ATOM 989 CA PRO A 67 -3.652 0.839 7.084 1.00 0.00 C ATOM 990 C PRO A 67 -3.797 -0.153 5.935 1.00 0.00 C ATOM 991 O PRO A 67 -4.312 0.187 4.871 1.00 0.00 O ATOM 992 CB PRO A 67 -5.016 1.416 7.468 1.00 0.00 C ATOM 993 CG PRO A 67 -5.114 2.694 6.709 1.00 0.00 C ATOM 994 CD PRO A 67 -3.712 3.233 6.624 1.00 0.00 C ATOM 0 HA PRO A 67 -3.171 0.278 7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.824 0.734 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.085 1.587 8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.529 2.527 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.773 3.399 7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.546 3.776 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.497 3.924 7.439 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.340 -1.381 6.158 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.421 -2.423 5.141 1.00 0.00 C ATOM 1004 C ALA A 68 -4.852 -2.592 4.643 1.00 0.00 C ATOM 1005 O ALA A 68 -5.080 -2.909 3.476 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.892 -3.739 5.691 1.00 0.00 C ATOM 0 H ALA A 68 -2.910 -1.679 7.034 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.803 -2.121 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.958 -4.508 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.852 -3.616 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.486 -4.038 6.554 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.814 -2.380 5.535 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.224 -2.511 5.186 1.00 0.00 C ATOM 1014 C ASN A 69 -7.585 -1.587 4.026 1.00 0.00 C ATOM 1015 O ASN A 69 -8.626 -1.751 3.389 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.103 -2.194 6.397 1.00 0.00 C ATOM 1017 CG ASN A 69 -7.502 -1.119 7.282 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -6.531 -1.503 8.103 1.00 0.00 O flip ATOM 1019 ND2 ASN A 69 -7.907 0.042 7.228 1.00 0.00 N flip ATOM 0 H ASN A 69 -5.643 -2.117 6.505 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.402 -3.541 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.086 -1.871 6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.252 -3.101 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.656 0.291 6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.494 0.755 7.830 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.718 -0.617 3.758 1.00 0.00 N ATOM 1027 CA TYR A 70 -6.946 0.334 2.677 1.00 0.00 C ATOM 1028 C TYR A 70 -6.244 -0.116 1.399 1.00 0.00 C ATOM 1029 O TYR A 70 -6.127 0.647 0.440 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.453 1.725 3.080 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.500 2.557 3.786 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.149 2.080 4.918 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.839 3.822 3.320 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.106 2.837 5.565 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.794 4.586 3.962 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.425 4.089 5.083 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.377 4.847 5.725 1.00 0.00 O ATOM 0 H TYR A 70 -5.851 -0.469 4.274 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.018 0.377 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.585 1.619 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.120 2.256 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.901 1.100 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.348 4.214 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.602 2.451 6.443 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.045 5.568 3.588 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.483 5.703 5.259 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.779 -1.361 1.394 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.090 -1.915 0.235 1.00 0.00 C ATOM 1049 C VAL A 71 -5.385 -3.402 0.079 1.00 0.00 C ATOM 1050 O VAL A 71 -5.975 -4.026 0.962 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.566 -1.713 0.337 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.236 -0.244 0.557 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.990 -2.570 1.453 1.00 0.00 C ATOM 0 H VAL A 71 -5.867 -2.005 2.180 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.462 -1.380 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.111 -2.026 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.155 -0.120 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.615 0.343 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.701 0.099 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.913 -2.415 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.449 -2.289 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.195 -3.621 1.248 1.00 0.00 H new ATOM 1063 N THR A 72 -4.969 -3.968 -1.050 1.00 0.00 N ATOM 1064 CA THR A 72 -5.189 -5.382 -1.323 1.00 0.00 C ATOM 1065 C THR A 72 -3.936 -6.033 -1.897 1.00 0.00 C ATOM 1066 O THR A 72 -3.195 -5.411 -2.657 1.00 0.00 O ATOM 1067 CB THR A 72 -6.357 -5.591 -2.305 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.518 -6.986 -2.586 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.117 -4.831 -3.601 1.00 0.00 C ATOM 0 H THR A 72 -4.477 -3.467 -1.790 1.00 0.00 H new ATOM 0 HA THR A 72 -5.436 -5.852 -0.371 1.00 0.00 H new ATOM 0 HB THR A 72 -7.266 -5.208 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.264 -7.110 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.955 -4.994 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.025 -3.766 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.199 -5.188 -4.067 1.00 0.00 H new