USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 THR OG1 : rot 180:sc= 0.0239 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0 X(o=0.024,f=0.016) USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.607 USER MOD Set 2.2: A 33 ASN : amide:sc= -5.48 K(o=-6.1,f=-12!) USER MOD Single : A 32 SER OG : rot -60:sc= 1.27 USER MOD Single : A 48 ASN : amide:sc= -1.85! K(o=-1.8!,f=-0.33) USER MOD Single : A 50 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -36:sc= 0.616 USER MOD Single : A 71 SER OG : rot 70:sc= 1.27 USER MOD Single : A 76 SER OG : rot -5:sc= -3.54! USER MOD Single : A 79 GLN : amide:sc= -2.03! K(o=-2!,f=-0.66) USER MOD Single : A 89 MET CE :methyl 170:sc= -4.75! (180deg=-5.35!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.0926 (180deg=-0.46) USER MOD Single : A 95 THR OG1 : rot -170:sc= -0.304 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 163:sc= -0.0585 (180deg=-0.414) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 107 TYR OH : rot -140:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.499 0.038 5.205 1.00 0.00 N ATOM 348 CA ALA A 23 -11.458 -1.285 4.598 1.00 0.00 C ATOM 349 C ALA A 23 -10.017 -1.768 4.488 1.00 0.00 C ATOM 350 O ALA A 23 -9.734 -2.786 3.855 1.00 0.00 O ATOM 351 CB ALA A 23 -12.118 -1.259 3.230 1.00 0.00 C ATOM 0 HA ALA A 23 -12.009 -1.979 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.080 -2.255 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.157 -0.948 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.591 -0.556 2.585 1.00 0.00 H new ATOM 357 N PHE A 24 -9.116 -1.022 5.115 1.00 0.00 N ATOM 358 CA PHE A 24 -7.698 -1.347 5.112 1.00 0.00 C ATOM 359 C PHE A 24 -7.443 -2.682 5.808 1.00 0.00 C ATOM 360 O PHE A 24 -6.702 -3.524 5.308 1.00 0.00 O ATOM 361 CB PHE A 24 -6.921 -0.234 5.809 1.00 0.00 C ATOM 362 CG PHE A 24 -5.523 -0.076 5.301 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.538 -0.972 5.669 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.195 0.969 4.454 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.249 -0.830 5.204 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.907 1.118 3.986 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.932 0.217 4.361 1.00 0.00 C ATOM 0 H PHE A 24 -9.348 -0.178 5.638 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.361 -1.436 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.455 0.707 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.890 -0.438 6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.781 -1.792 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.956 1.675 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.487 -1.537 5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.662 1.938 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.922 0.330 3.996 1.00 0.00 H new ATOM 377 N GLU A 25 -8.057 -2.853 6.972 1.00 0.00 N ATOM 378 CA GLU A 25 -7.911 -4.079 7.756 1.00 0.00 C ATOM 379 C GLU A 25 -8.461 -5.312 7.032 1.00 0.00 C ATOM 380 O GLU A 25 -7.763 -6.320 6.940 1.00 0.00 O ATOM 381 CB GLU A 25 -8.602 -3.932 9.102 1.00 0.00 C ATOM 382 CG GLU A 25 -7.732 -3.303 10.177 1.00 0.00 C ATOM 383 CD GLU A 25 -6.542 -4.169 10.544 1.00 0.00 C ATOM 384 OE1 GLU A 25 -5.518 -4.097 9.835 1.00 0.00 O ATOM 385 OE2 GLU A 25 -6.637 -4.919 11.537 1.00 0.00 O ATOM 0 H GLU A 25 -8.666 -2.154 7.399 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.841 -4.231 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.499 -3.326 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.927 -4.915 9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.377 -2.332 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.334 -3.123 11.068 1.00 0.00 H new ATOM 392 N PRO A 26 -9.725 -5.277 6.537 1.00 0.00 N ATOM 393 CA PRO A 26 -10.321 -6.411 5.817 1.00 0.00 C ATOM 394 C PRO A 26 -9.341 -7.038 4.831 1.00 0.00 C ATOM 395 O PRO A 26 -9.513 -8.174 4.389 1.00 0.00 O ATOM 396 CB PRO A 26 -11.492 -5.773 5.076 1.00 0.00 C ATOM 397 CG PRO A 26 -11.916 -4.642 5.950 1.00 0.00 C ATOM 398 CD PRO A 26 -10.674 -4.149 6.652 1.00 0.00 C ATOM 0 HA PRO A 26 -10.613 -7.221 6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.192 -5.421 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.303 -6.486 4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.369 -3.845 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.664 -4.970 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.281 -3.248 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.876 -3.902 7.694 1.00 0.00 H new ATOM 406 N LEU A 27 -8.319 -6.269 4.492 1.00 0.00 N ATOM 407 CA LEU A 27 -7.273 -6.705 3.586 1.00 0.00 C ATOM 408 C LEU A 27 -6.195 -7.465 4.354 1.00 0.00 C ATOM 409 O LEU A 27 -5.829 -8.585 4.000 1.00 0.00 O ATOM 410 CB LEU A 27 -6.659 -5.480 2.919 1.00 0.00 C ATOM 411 CG LEU A 27 -7.532 -4.803 1.859 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.856 -3.545 1.338 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.825 -5.764 0.716 1.00 0.00 C ATOM 0 H LEU A 27 -8.193 -5.319 4.841 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.697 -7.368 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.421 -4.748 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.717 -5.773 2.456 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.478 -4.520 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.490 -3.076 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.696 -2.850 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.896 -3.806 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.447 -5.266 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.888 -6.078 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.350 -6.638 1.101 1.00 0.00 H new ATOM 425 N LEU A 28 -5.697 -6.834 5.412 1.00 0.00 N ATOM 426 CA LEU A 28 -4.656 -7.414 6.252 1.00 0.00 C ATOM 427 C LEU A 28 -5.098 -8.739 6.865 1.00 0.00 C ATOM 428 O LEU A 28 -4.282 -9.640 7.058 1.00 0.00 O ATOM 429 CB LEU A 28 -4.275 -6.426 7.361 1.00 0.00 C ATOM 430 CG LEU A 28 -3.331 -6.972 8.436 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.001 -7.381 7.825 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.117 -5.937 9.529 1.00 0.00 C ATOM 0 H LEU A 28 -6.003 -5.908 5.711 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.789 -7.613 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.809 -5.554 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.188 -6.081 7.846 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.790 -7.856 8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.345 -7.766 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.167 -8.155 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.535 -6.515 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.444 -6.340 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.680 -5.037 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.074 -5.691 9.989 1.00 0.00 H new ATOM 444 N GLU A 29 -6.386 -8.857 7.172 1.00 0.00 N ATOM 445 CA GLU A 29 -6.906 -10.081 7.767 1.00 0.00 C ATOM 446 C GLU A 29 -6.717 -11.264 6.822 1.00 0.00 C ATOM 447 O GLU A 29 -6.586 -12.407 7.260 1.00 0.00 O ATOM 448 CB GLU A 29 -8.388 -9.931 8.123 1.00 0.00 C ATOM 449 CG GLU A 29 -9.308 -9.883 6.915 1.00 0.00 C ATOM 450 CD GLU A 29 -10.772 -10.005 7.292 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.378 -8.977 7.660 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.312 -11.129 7.221 1.00 0.00 O ATOM 0 H GLU A 29 -7.082 -8.127 7.020 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.345 -10.268 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.685 -10.764 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.521 -9.020 8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.151 -8.946 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.045 -10.689 6.230 1.00 0.00 H new ATOM 459 N SER A 30 -6.703 -10.979 5.523 1.00 0.00 N ATOM 460 CA SER A 30 -6.535 -12.016 4.510 1.00 0.00 C ATOM 461 C SER A 30 -5.172 -12.692 4.622 1.00 0.00 C ATOM 462 O SER A 30 -4.989 -13.809 4.146 1.00 0.00 O ATOM 463 CB SER A 30 -6.707 -11.425 3.110 1.00 0.00 C ATOM 464 OG SER A 30 -6.440 -12.393 2.110 1.00 0.00 O ATOM 0 H SER A 30 -6.806 -10.037 5.147 1.00 0.00 H new ATOM 0 HA SER A 30 -7.303 -12.770 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.723 -11.048 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.036 -10.575 2.986 1.00 0.00 H new ATOM 0 HG SER A 30 -6.558 -11.990 1.225 1.00 0.00 H new ATOM 470 N LEU A 31 -4.218 -12.015 5.250 1.00 0.00 N ATOM 471 CA LEU A 31 -2.879 -12.574 5.411 1.00 0.00 C ATOM 472 C LEU A 31 -2.897 -13.779 6.348 1.00 0.00 C ATOM 473 O LEU A 31 -1.886 -14.462 6.513 1.00 0.00 O ATOM 474 CB LEU A 31 -1.906 -11.514 5.939 1.00 0.00 C ATOM 475 CG LEU A 31 -1.659 -10.322 5.007 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.537 -9.452 5.550 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.328 -10.792 3.597 1.00 0.00 C ATOM 0 H LEU A 31 -4.343 -11.086 5.653 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.539 -12.904 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.286 -11.138 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.950 -11.995 6.147 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.573 -9.731 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.372 -8.609 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.810 -9.081 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.377 -10.041 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.157 -9.927 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.430 -11.409 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.160 -11.377 3.204 1.00 0.00 H new ATOM 489 N SER A 32 -4.050 -14.033 6.958 1.00 0.00 N ATOM 490 CA SER A 32 -4.197 -15.157 7.879 1.00 0.00 C ATOM 491 C SER A 32 -5.161 -16.206 7.326 1.00 0.00 C ATOM 492 O SER A 32 -5.697 -17.022 8.076 1.00 0.00 O ATOM 493 CB SER A 32 -4.693 -14.667 9.240 1.00 0.00 C ATOM 494 OG SER A 32 -6.001 -14.129 9.143 1.00 0.00 O ATOM 0 H SER A 32 -4.896 -13.477 6.832 1.00 0.00 H new ATOM 0 HA SER A 32 -3.217 -15.620 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.688 -15.493 9.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.012 -13.909 9.627 1.00 0.00 H new ATOM 0 HG SER A 32 -5.998 -13.372 8.521 1.00 0.00 H new ATOM 500 N ASN A 33 -5.372 -16.185 6.014 1.00 0.00 N ATOM 501 CA ASN A 33 -6.274 -17.136 5.370 1.00 0.00 C ATOM 502 C ASN A 33 -5.525 -18.385 4.915 1.00 0.00 C ATOM 503 O ASN A 33 -4.336 -18.329 4.600 1.00 0.00 O ATOM 504 CB ASN A 33 -6.981 -16.480 4.181 1.00 0.00 C ATOM 505 CG ASN A 33 -6.032 -16.132 3.050 1.00 0.00 C ATOM 506 OD1 ASN A 33 -4.812 -16.232 3.188 1.00 0.00 O ATOM 507 ND2 ASN A 33 -6.588 -15.701 1.924 1.00 0.00 N ATOM 0 H ASN A 33 -4.932 -15.522 5.376 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.022 -17.438 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.753 -17.153 3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.484 -15.574 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.000 -15.438 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.603 -15.633 1.850 1.00 0.00 H new ATOM 514 N GLU A 34 -6.226 -19.515 4.890 1.00 0.00 N ATOM 515 CA GLU A 34 -5.627 -20.778 4.473 1.00 0.00 C ATOM 516 C GLU A 34 -5.242 -20.741 2.997 1.00 0.00 C ATOM 517 O GLU A 34 -4.299 -21.412 2.576 1.00 0.00 O ATOM 518 CB GLU A 34 -6.593 -21.937 4.728 1.00 0.00 C ATOM 519 CG GLU A 34 -6.962 -22.115 6.191 1.00 0.00 C ATOM 520 CD GLU A 34 -7.848 -23.323 6.426 1.00 0.00 C ATOM 521 OE1 GLU A 34 -9.069 -23.221 6.183 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.319 -24.372 6.853 1.00 0.00 O ATOM 0 H GLU A 34 -7.209 -19.581 5.154 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.723 -20.930 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.503 -21.774 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.144 -22.860 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.052 -22.216 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.473 -21.220 6.544 1.00 0.00 H new ATOM 529 N ASP A 35 -5.976 -19.954 2.216 1.00 0.00 N ATOM 530 CA ASP A 35 -5.710 -19.835 0.786 1.00 0.00 C ATOM 531 C ASP A 35 -4.521 -18.917 0.528 1.00 0.00 C ATOM 532 O ASP A 35 -4.142 -18.120 1.386 1.00 0.00 O ATOM 533 CB ASP A 35 -6.947 -19.308 0.055 1.00 0.00 C ATOM 534 CG ASP A 35 -6.867 -19.522 -1.444 1.00 0.00 C ATOM 535 OD1 ASP A 35 -7.171 -20.645 -1.899 1.00 0.00 O ATOM 536 OD2 ASP A 35 -6.502 -18.568 -2.163 1.00 0.00 O ATOM 0 H ASP A 35 -6.758 -19.390 2.548 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.469 -20.827 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.835 -19.806 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.062 -18.244 0.262 1.00 0.00 H new ATOM 541 N TRP A 36 -3.935 -19.034 -0.661 1.00 0.00 N ATOM 542 CA TRP A 36 -2.786 -18.215 -1.029 1.00 0.00 C ATOM 543 C TRP A 36 -3.151 -17.211 -2.121 1.00 0.00 C ATOM 544 O TRP A 36 -2.702 -16.065 -2.094 1.00 0.00 O ATOM 545 CB TRP A 36 -1.622 -19.097 -1.485 1.00 0.00 C ATOM 546 CG TRP A 36 -2.044 -20.284 -2.299 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.305 -20.311 -3.639 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.249 -21.620 -1.824 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.660 -21.581 -4.024 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.633 -22.402 -2.929 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.144 -22.232 -0.571 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.912 -23.760 -2.822 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.422 -23.583 -0.465 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.802 -24.333 -1.585 1.00 0.00 C ATOM 0 H TRP A 36 -4.237 -19.687 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.477 -17.656 -0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.929 -18.494 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.077 -19.445 -0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.242 -19.459 -4.299 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.904 -21.866 -4.972 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.851 -21.661 0.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.205 -24.341 -3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.345 -24.067 0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.013 -25.386 -1.469 1.00 0.00 H new ATOM 565 N ARG A 37 -3.961 -17.648 -3.081 1.00 0.00 N ATOM 566 CA ARG A 37 -4.386 -16.785 -4.173 1.00 0.00 C ATOM 567 C ARG A 37 -5.135 -15.565 -3.644 1.00 0.00 C ATOM 568 O ARG A 37 -5.033 -14.473 -4.201 1.00 0.00 O ATOM 569 CB ARG A 37 -5.272 -17.567 -5.144 1.00 0.00 C ATOM 570 CG ARG A 37 -5.630 -16.788 -6.394 1.00 0.00 C ATOM 571 CD ARG A 37 -6.324 -17.666 -7.422 1.00 0.00 C ATOM 572 NE ARG A 37 -7.519 -18.305 -6.881 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.502 -18.791 -7.633 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.437 -18.702 -8.955 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.552 -19.366 -7.064 1.00 0.00 N ATOM 0 H ARG A 37 -4.335 -18.596 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.498 -16.437 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.760 -18.486 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.189 -17.860 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.280 -15.954 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.726 -16.362 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.596 -17.063 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.631 -18.431 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.605 -18.383 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.631 -18.260 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.193 -19.076 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.607 -19.436 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.305 -19.738 -7.642 1.00 0.00 H new ATOM 589 N ILE A 38 -5.887 -15.759 -2.562 1.00 0.00 N ATOM 590 CA ILE A 38 -6.647 -14.671 -1.958 1.00 0.00 C ATOM 591 C ILE A 38 -5.730 -13.756 -1.151 1.00 0.00 C ATOM 592 O ILE A 38 -5.855 -12.532 -1.208 1.00 0.00 O ATOM 593 CB ILE A 38 -7.771 -15.200 -1.044 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.739 -16.074 -1.846 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.512 -14.041 -0.388 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.814 -16.726 -1.003 1.00 0.00 C ATOM 0 H ILE A 38 -5.985 -16.657 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.100 -14.107 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.325 -15.810 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.213 -15.464 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.172 -16.850 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.302 -14.431 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.814 -13.455 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.950 -13.407 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.461 -17.329 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.350 -17.364 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.407 -15.956 -0.510 1.00 0.00 H new ATOM 608 N ARG A 39 -4.812 -14.358 -0.397 1.00 0.00 N ATOM 609 CA ARG A 39 -3.869 -13.598 0.415 1.00 0.00 C ATOM 610 C ARG A 39 -3.120 -12.580 -0.439 1.00 0.00 C ATOM 611 O ARG A 39 -2.757 -11.504 0.036 1.00 0.00 O ATOM 612 CB ARG A 39 -2.870 -14.535 1.099 1.00 0.00 C ATOM 613 CG ARG A 39 -1.887 -13.810 2.005 1.00 0.00 C ATOM 614 CD ARG A 39 -0.857 -14.759 2.598 1.00 0.00 C ATOM 615 NE ARG A 39 -1.476 -15.847 3.350 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.813 -16.626 4.202 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.479 -16.425 4.422 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.444 -17.603 4.837 1.00 0.00 N ATOM 0 H ARG A 39 -4.703 -15.370 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.436 -13.067 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.418 -15.273 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.315 -15.082 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.378 -13.030 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.431 -13.316 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.246 -15.175 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.187 -14.202 3.253 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.472 -16.020 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.968 -15.672 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.984 -17.024 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.439 -17.759 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.935 -18.199 5.490 1.00 0.00 H new ATOM 632 N GLY A 40 -2.893 -12.930 -1.701 1.00 0.00 N ATOM 633 CA GLY A 40 -2.193 -12.035 -2.603 1.00 0.00 C ATOM 634 C GLY A 40 -2.997 -10.790 -2.913 1.00 0.00 C ATOM 635 O GLY A 40 -2.477 -9.677 -2.855 1.00 0.00 O ATOM 0 H GLY A 40 -3.181 -13.817 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.239 -11.748 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.968 -12.560 -3.531 1.00 0.00 H new ATOM 639 N ALA A 41 -4.273 -10.983 -3.239 1.00 0.00 N ATOM 640 CA ALA A 41 -5.161 -9.871 -3.560 1.00 0.00 C ATOM 641 C ALA A 41 -5.151 -8.821 -2.452 1.00 0.00 C ATOM 642 O ALA A 41 -5.440 -7.648 -2.693 1.00 0.00 O ATOM 643 CB ALA A 41 -6.576 -10.380 -3.788 1.00 0.00 C ATOM 0 H ALA A 41 -4.715 -11.901 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.799 -9.401 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.230 -9.542 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.579 -11.089 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.935 -10.874 -2.885 1.00 0.00 H new ATOM 649 N ALA A 42 -4.816 -9.251 -1.240 1.00 0.00 N ATOM 650 CA ALA A 42 -4.772 -8.354 -0.090 1.00 0.00 C ATOM 651 C ALA A 42 -3.630 -7.350 -0.211 1.00 0.00 C ATOM 652 O ALA A 42 -3.851 -6.140 -0.188 1.00 0.00 O ATOM 653 CB ALA A 42 -4.634 -9.155 1.193 1.00 0.00 C ATOM 0 H ALA A 42 -4.570 -10.218 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.707 -7.795 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.602 -8.475 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.486 -9.826 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.714 -9.739 1.160 1.00 0.00 H new ATOM 659 N ALA A 43 -2.409 -7.862 -0.346 1.00 0.00 N ATOM 660 CA ALA A 43 -1.231 -7.013 -0.477 1.00 0.00 C ATOM 661 C ALA A 43 -1.205 -6.340 -1.844 1.00 0.00 C ATOM 662 O ALA A 43 -0.499 -5.354 -2.057 1.00 0.00 O ATOM 663 CB ALA A 43 0.033 -7.831 -0.275 1.00 0.00 C ATOM 0 H ALA A 43 -2.211 -8.862 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.278 -6.240 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.905 -7.184 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.024 -8.275 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.079 -8.621 -1.025 1.00 0.00 H new ATOM 669 N TRP A 44 -1.990 -6.889 -2.766 1.00 0.00 N ATOM 670 CA TRP A 44 -2.070 -6.378 -4.131 1.00 0.00 C ATOM 671 C TRP A 44 -2.591 -4.941 -4.180 1.00 0.00 C ATOM 672 O TRP A 44 -2.021 -4.094 -4.870 1.00 0.00 O ATOM 673 CB TRP A 44 -2.971 -7.284 -4.971 1.00 0.00 C ATOM 674 CG TRP A 44 -2.225 -8.099 -5.981 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.545 -9.260 -5.756 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.089 -7.816 -7.377 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.988 -9.714 -6.927 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.310 -8.845 -7.938 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.549 -6.792 -8.209 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.983 -8.880 -9.291 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.225 -6.827 -9.551 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.448 -7.864 -10.081 1.00 0.00 C ATOM 0 H TRP A 44 -2.586 -7.697 -2.589 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.059 -6.375 -4.540 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.518 -7.954 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.711 -6.671 -5.486 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.457 -9.750 -4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.427 -10.560 -7.028 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.148 -5.987 -7.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.384 -9.680 -9.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.577 -6.041 -10.203 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.211 -7.862 -11.135 1.00 0.00 H new ATOM 693 N ILE A 45 -3.672 -4.667 -3.452 1.00 0.00 N ATOM 694 CA ILE A 45 -4.267 -3.332 -3.449 1.00 0.00 C ATOM 695 C ILE A 45 -3.830 -2.515 -2.237 1.00 0.00 C ATOM 696 O ILE A 45 -3.847 -1.283 -2.272 1.00 0.00 O ATOM 697 CB ILE A 45 -5.808 -3.402 -3.469 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.282 -4.461 -4.469 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.394 -2.039 -3.811 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.786 -4.643 -4.496 1.00 0.00 C ATOM 0 H ILE A 45 -4.151 -5.346 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.912 -2.840 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.157 -3.688 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.940 -4.185 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.814 -5.414 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.482 -2.103 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.081 -1.310 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.039 -1.727 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.047 -5.408 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.133 -4.950 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.262 -3.702 -4.771 1.00 0.00 H new ATOM 712 N ILE A 46 -3.442 -3.201 -1.168 1.00 0.00 N ATOM 713 CA ILE A 46 -3.018 -2.531 0.058 1.00 0.00 C ATOM 714 C ILE A 46 -1.867 -1.558 -0.199 1.00 0.00 C ATOM 715 O ILE A 46 -1.672 -0.603 0.553 1.00 0.00 O ATOM 716 CB ILE A 46 -2.598 -3.551 1.138 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.939 -3.013 2.527 1.00 0.00 C ATOM 718 CG2 ILE A 46 -1.111 -3.872 1.036 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.704 -4.010 3.643 1.00 0.00 C ATOM 0 H ILE A 46 -3.412 -4.220 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.877 -1.966 0.419 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.151 -4.476 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.342 -2.121 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.985 -2.706 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.841 -4.593 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.896 -4.294 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.531 -2.959 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.968 -3.556 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.321 -4.893 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.653 -4.299 3.657 1.00 0.00 H new ATOM 731 N GLY A 47 -1.110 -1.806 -1.264 1.00 0.00 N ATOM 732 CA GLY A 47 0.015 -0.948 -1.591 1.00 0.00 C ATOM 733 C GLY A 47 -0.410 0.385 -2.178 1.00 0.00 C ATOM 734 O GLY A 47 0.301 1.381 -2.046 1.00 0.00 O ATOM 0 H GLY A 47 -1.255 -2.585 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.604 -0.772 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.663 -1.462 -2.301 1.00 0.00 H new ATOM 738 N ASN A 48 -1.571 0.403 -2.825 1.00 0.00 N ATOM 739 CA ASN A 48 -2.088 1.618 -3.438 1.00 0.00 C ATOM 740 C ASN A 48 -2.289 2.724 -2.404 1.00 0.00 C ATOM 741 O ASN A 48 -2.318 3.906 -2.747 1.00 0.00 O ATOM 742 CB ASN A 48 -3.406 1.324 -4.151 1.00 0.00 C ATOM 743 CG ASN A 48 -3.208 0.547 -5.438 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.017 1.131 -6.505 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.252 -0.777 -5.345 1.00 0.00 N ATOM 0 H ASN A 48 -2.172 -0.413 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.353 1.966 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.057 0.758 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.914 2.263 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.125 -1.351 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.413 -1.220 -4.440 1.00 0.00 H new ATOM 752 N PHE A 49 -2.426 2.335 -1.140 1.00 0.00 N ATOM 753 CA PHE A 49 -2.620 3.299 -0.065 1.00 0.00 C ATOM 754 C PHE A 49 -1.341 3.455 0.746 1.00 0.00 C ATOM 755 O PHE A 49 -0.959 2.556 1.494 1.00 0.00 O ATOM 756 CB PHE A 49 -3.770 2.858 0.847 1.00 0.00 C ATOM 757 CG PHE A 49 -5.009 2.441 0.103 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.531 3.232 -0.909 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.648 1.249 0.414 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.666 2.845 -1.595 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.783 0.857 -0.270 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.292 1.656 -1.276 1.00 0.00 C ATOM 0 H PHE A 49 -2.406 1.361 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.873 4.262 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.432 2.027 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.021 3.677 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.044 4.162 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.254 0.621 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.063 3.472 -2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.272 -0.073 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.178 1.351 -1.812 1.00 0.00 H new ATOM 772 N GLN A 50 -0.677 4.596 0.582 1.00 0.00 N ATOM 773 CA GLN A 50 0.565 4.868 1.298 1.00 0.00 C ATOM 774 C GLN A 50 0.320 4.986 2.800 1.00 0.00 C ATOM 775 O GLN A 50 0.246 6.090 3.343 1.00 0.00 O ATOM 776 CB GLN A 50 1.214 6.152 0.777 1.00 0.00 C ATOM 777 CG GLN A 50 1.768 6.025 -0.632 1.00 0.00 C ATOM 778 CD GLN A 50 0.679 5.954 -1.686 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.209 4.873 -2.038 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.274 7.112 -2.196 1.00 0.00 N ATOM 0 H GLN A 50 -0.978 5.346 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 50 1.239 4.030 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.478 6.956 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.021 6.441 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.415 6.877 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.388 5.130 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.692 7.985 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.455 7.128 -2.909 1.00 0.00 H new ATOM 789 N ASP A 51 0.184 3.843 3.464 1.00 0.00 N ATOM 790 CA ASP A 51 -0.048 3.816 4.902 1.00 0.00 C ATOM 791 C ASP A 51 0.965 2.906 5.590 1.00 0.00 C ATOM 792 O ASP A 51 1.491 1.975 4.978 1.00 0.00 O ATOM 793 CB ASP A 51 -1.474 3.349 5.202 1.00 0.00 C ATOM 794 CG ASP A 51 -1.842 3.509 6.664 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.017 4.662 7.109 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.960 2.481 7.362 1.00 0.00 O ATOM 0 H ASP A 51 0.231 2.922 3.028 1.00 0.00 H new ATOM 0 HA ASP A 51 0.076 4.827 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.175 3.917 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.577 2.302 4.917 1.00 0.00 H new ATOM 801 N GLU A 52 1.233 3.180 6.861 1.00 0.00 N ATOM 802 CA GLU A 52 2.191 2.392 7.630 1.00 0.00 C ATOM 803 C GLU A 52 1.712 0.953 7.812 1.00 0.00 C ATOM 804 O GLU A 52 2.518 0.036 7.942 1.00 0.00 O ATOM 805 CB GLU A 52 2.430 3.039 8.995 1.00 0.00 C ATOM 806 CG GLU A 52 1.169 3.180 9.831 1.00 0.00 C ATOM 807 CD GLU A 52 1.410 3.930 11.127 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.013 3.344 12.049 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.992 5.104 11.219 1.00 0.00 O ATOM 0 H GLU A 52 0.800 3.943 7.382 1.00 0.00 H new ATOM 0 HA GLU A 52 3.127 2.368 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.157 2.444 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.871 4.025 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.408 3.701 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.774 2.189 10.057 1.00 0.00 H new ATOM 816 N ARG A 53 0.399 0.762 7.819 1.00 0.00 N ATOM 817 CA ARG A 53 -0.181 -0.567 7.991 1.00 0.00 C ATOM 818 C ARG A 53 0.078 -1.450 6.770 1.00 0.00 C ATOM 819 O ARG A 53 -0.126 -2.663 6.816 1.00 0.00 O ATOM 820 CB ARG A 53 -1.686 -0.449 8.254 1.00 0.00 C ATOM 821 CG ARG A 53 -2.386 -1.783 8.459 1.00 0.00 C ATOM 822 CD ARG A 53 -3.786 -1.593 9.020 1.00 0.00 C ATOM 823 NE ARG A 53 -3.763 -1.198 10.426 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.785 -0.616 11.047 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.906 -0.355 10.388 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.686 -0.293 12.329 1.00 0.00 N ATOM 0 H ARG A 53 -0.286 1.510 7.708 1.00 0.00 H new ATOM 0 HA ARG A 53 0.298 -1.039 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.842 0.171 9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.151 0.068 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.442 -2.316 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.801 -2.402 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.310 -0.834 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.348 -2.521 8.913 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.914 -1.379 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.987 -0.601 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.688 0.091 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.826 -0.491 12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.470 0.153 12.805 1.00 0.00 H new ATOM 840 N ALA A 54 0.539 -0.840 5.681 1.00 0.00 N ATOM 841 CA ALA A 54 0.812 -1.580 4.450 1.00 0.00 C ATOM 842 C ALA A 54 2.306 -1.799 4.225 1.00 0.00 C ATOM 843 O ALA A 54 2.734 -2.030 3.095 1.00 0.00 O ATOM 844 CB ALA A 54 0.213 -0.850 3.257 1.00 0.00 C ATOM 0 H ALA A 54 0.731 0.160 5.625 1.00 0.00 H new ATOM 0 HA ALA A 54 0.348 -2.561 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.422 -1.410 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.865 -0.761 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.652 0.145 3.181 1.00 0.00 H new ATOM 850 N VAL A 55 3.102 -1.732 5.288 1.00 0.00 N ATOM 851 CA VAL A 55 4.541 -1.928 5.152 1.00 0.00 C ATOM 852 C VAL A 55 4.935 -3.393 5.357 1.00 0.00 C ATOM 853 O VAL A 55 5.531 -4.007 4.472 1.00 0.00 O ATOM 854 CB VAL A 55 5.346 -1.021 6.110 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.045 0.443 5.831 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.065 -1.355 7.566 1.00 0.00 C ATOM 0 H VAL A 55 2.782 -1.547 6.238 1.00 0.00 H new ATOM 0 HA VAL A 55 4.792 -1.644 4.130 1.00 0.00 H new ATOM 0 HB VAL A 55 6.405 -1.204 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.619 1.069 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.318 0.681 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.981 0.630 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.649 -0.697 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.004 -1.217 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.341 -2.391 7.761 1.00 0.00 H new ATOM 866 N GLU A 56 4.602 -3.953 6.518 1.00 0.00 N ATOM 867 CA GLU A 56 4.937 -5.341 6.823 1.00 0.00 C ATOM 868 C GLU A 56 4.304 -6.325 5.832 1.00 0.00 C ATOM 869 O GLU A 56 5.001 -7.184 5.296 1.00 0.00 O ATOM 870 CB GLU A 56 4.531 -5.700 8.253 1.00 0.00 C ATOM 871 CG GLU A 56 4.901 -7.123 8.638 1.00 0.00 C ATOM 872 CD GLU A 56 4.804 -7.368 10.131 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.745 -6.986 10.858 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.786 -7.941 10.574 1.00 0.00 O ATOM 0 H GLU A 56 4.101 -3.467 7.262 1.00 0.00 H new ATOM 0 HA GLU A 56 6.019 -5.429 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.009 -5.007 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.455 -5.568 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.244 -7.819 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.917 -7.333 8.305 1.00 0.00 H new ATOM 881 N PRO A 57 2.977 -6.226 5.576 1.00 0.00 N ATOM 882 CA PRO A 57 2.284 -7.128 4.652 1.00 0.00 C ATOM 883 C PRO A 57 3.094 -7.436 3.404 1.00 0.00 C ATOM 884 O PRO A 57 3.295 -8.597 3.057 1.00 0.00 O ATOM 885 CB PRO A 57 1.028 -6.349 4.287 1.00 0.00 C ATOM 886 CG PRO A 57 0.726 -5.534 5.497 1.00 0.00 C ATOM 887 CD PRO A 57 2.051 -5.228 6.154 1.00 0.00 C ATOM 0 HA PRO A 57 2.094 -8.101 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.193 -5.717 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.203 -7.019 4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.207 -4.615 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.073 -6.079 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.377 -4.210 5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.990 -5.321 7.238 1.00 0.00 H new ATOM 895 N LEU A 58 3.563 -6.394 2.737 1.00 0.00 N ATOM 896 CA LEU A 58 4.347 -6.560 1.524 1.00 0.00 C ATOM 897 C LEU A 58 5.647 -7.301 1.819 1.00 0.00 C ATOM 898 O LEU A 58 6.006 -8.243 1.119 1.00 0.00 O ATOM 899 CB LEU A 58 4.652 -5.195 0.900 1.00 0.00 C ATOM 900 CG LEU A 58 3.546 -4.146 1.057 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.931 -2.851 0.358 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.222 -4.670 0.521 1.00 0.00 C ATOM 0 H LEU A 58 3.414 -5.424 3.015 1.00 0.00 H new ATOM 0 HA LEU A 58 3.764 -7.151 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.567 -4.805 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.850 -5.335 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 58 3.424 -3.939 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.132 -2.120 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.851 -2.461 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.086 -3.043 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.453 -3.908 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.328 -4.912 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.936 -5.566 1.071 1.00 0.00 H new ATOM 914 N ILE A 59 6.333 -6.880 2.873 1.00 0.00 N ATOM 915 CA ILE A 59 7.603 -7.483 3.263 1.00 0.00 C ATOM 916 C ILE A 59 7.495 -8.988 3.510 1.00 0.00 C ATOM 917 O ILE A 59 8.210 -9.779 2.893 1.00 0.00 O ATOM 918 CB ILE A 59 8.170 -6.811 4.532 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.426 -5.322 4.283 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.446 -7.510 4.981 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.425 -5.046 3.178 1.00 0.00 C ATOM 0 H ILE A 59 6.029 -6.117 3.478 1.00 0.00 H new ATOM 0 HA ILE A 59 8.277 -7.324 2.422 1.00 0.00 H new ATOM 0 HB ILE A 59 7.432 -6.901 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.482 -4.838 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.785 -4.866 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.832 -7.023 5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.230 -8.556 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.191 -7.452 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.552 -3.970 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.383 -5.499 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.060 -5.470 2.243 1.00 0.00 H new ATOM 933 N LYS A 60 6.600 -9.375 4.408 1.00 0.00 N ATOM 934 CA LYS A 60 6.428 -10.781 4.768 1.00 0.00 C ATOM 935 C LYS A 60 5.801 -11.606 3.646 1.00 0.00 C ATOM 936 O LYS A 60 5.874 -12.835 3.664 1.00 0.00 O ATOM 937 CB LYS A 60 5.555 -10.884 6.020 1.00 0.00 C ATOM 938 CG LYS A 60 6.088 -10.088 7.203 1.00 0.00 C ATOM 939 CD LYS A 60 7.241 -10.804 7.889 1.00 0.00 C ATOM 940 CE LYS A 60 6.765 -12.055 8.611 1.00 0.00 C ATOM 941 NZ LYS A 60 7.859 -12.699 9.389 1.00 0.00 N ATOM 0 H LYS A 60 5.979 -8.735 4.903 1.00 0.00 H new ATOM 0 HA LYS A 60 7.421 -11.189 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.550 -10.535 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.469 -11.932 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.420 -9.107 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.285 -9.921 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.996 -11.073 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.718 -10.130 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.946 -11.797 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.370 -12.765 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.493 -13.548 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.630 -12.969 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.219 -12.031 10.100 1.00 0.00 H new ATOM 955 N LEU A 61 5.188 -10.940 2.676 1.00 0.00 N ATOM 956 CA LEU A 61 4.519 -11.646 1.587 1.00 0.00 C ATOM 957 C LEU A 61 5.423 -11.918 0.382 1.00 0.00 C ATOM 958 O LEU A 61 5.359 -12.996 -0.211 1.00 0.00 O ATOM 959 CB LEU A 61 3.280 -10.869 1.148 1.00 0.00 C ATOM 960 CG LEU A 61 2.173 -11.729 0.555 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.734 -12.793 1.552 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.989 -10.874 0.141 1.00 0.00 C ATOM 0 H LEU A 61 5.139 -9.923 2.619 1.00 0.00 H new ATOM 0 HA LEU A 61 4.235 -12.622 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.882 -10.329 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.577 -10.122 0.411 1.00 0.00 H new ATOM 0 HG LEU A 61 2.566 -12.224 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.942 -13.399 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.583 -13.430 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.363 -12.312 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.210 -11.510 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.597 -10.349 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.308 -10.148 -0.607 1.00 0.00 H new ATOM 974 N LEU A 62 6.255 -10.951 0.012 1.00 0.00 N ATOM 975 CA LEU A 62 7.141 -11.106 -1.143 1.00 0.00 C ATOM 976 C LEU A 62 8.167 -12.213 -0.921 1.00 0.00 C ATOM 977 O LEU A 62 8.879 -12.606 -1.845 1.00 0.00 O ATOM 978 CB LEU A 62 7.847 -9.786 -1.450 1.00 0.00 C ATOM 979 CG LEU A 62 8.457 -9.091 -0.237 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.821 -9.679 0.085 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.560 -7.592 -0.474 1.00 0.00 C ATOM 0 H LEU A 62 6.337 -10.054 0.491 1.00 0.00 H new ATOM 0 HA LEU A 62 6.525 -11.390 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.635 -9.973 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.133 -9.109 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 62 7.803 -9.256 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.241 -9.171 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.717 -10.742 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.485 -9.547 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.997 -7.114 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.191 -7.403 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.566 -7.183 -0.652 1.00 0.00 H new ATOM 993 N GLU A 63 8.238 -12.708 0.307 1.00 0.00 N ATOM 994 CA GLU A 63 9.179 -13.764 0.656 1.00 0.00 C ATOM 995 C GLU A 63 8.507 -15.135 0.661 1.00 0.00 C ATOM 996 O GLU A 63 9.179 -16.164 0.725 1.00 0.00 O ATOM 997 CB GLU A 63 9.782 -13.482 2.031 1.00 0.00 C ATOM 998 CG GLU A 63 11.003 -12.577 1.992 1.00 0.00 C ATOM 999 CD GLU A 63 11.631 -12.391 3.360 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.160 -11.515 4.116 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.594 -13.122 3.675 1.00 0.00 O ATOM 0 H GLU A 63 7.653 -12.394 1.081 1.00 0.00 H new ATOM 0 HA GLU A 63 9.965 -13.777 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.022 -13.024 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.057 -14.428 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.742 -12.998 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.718 -11.604 1.591 1.00 0.00 H new ATOM 1008 N ASP A 64 7.179 -15.143 0.601 1.00 0.00 N ATOM 1009 CA ASP A 64 6.421 -16.391 0.619 1.00 0.00 C ATOM 1010 C ASP A 64 6.747 -17.253 -0.588 1.00 0.00 C ATOM 1011 O ASP A 64 6.690 -18.481 -0.528 1.00 0.00 O ATOM 1012 CB ASP A 64 4.923 -16.108 0.675 1.00 0.00 C ATOM 1013 CG ASP A 64 4.131 -17.293 1.190 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.010 -18.292 0.451 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.633 -17.221 2.333 1.00 0.00 O ATOM 0 H ASP A 64 6.606 -14.302 0.540 1.00 0.00 H new ATOM 0 HA ASP A 64 6.710 -16.941 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.742 -15.246 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.568 -15.842 -0.321 1.00 0.00 H new ATOM 1020 N ASP A 65 7.078 -16.589 -1.680 1.00 0.00 N ATOM 1021 CA ASP A 65 7.413 -17.263 -2.930 1.00 0.00 C ATOM 1022 C ASP A 65 6.215 -18.039 -3.469 1.00 0.00 C ATOM 1023 O ASP A 65 6.374 -18.992 -4.232 1.00 0.00 O ATOM 1024 CB ASP A 65 8.606 -18.204 -2.738 1.00 0.00 C ATOM 1025 CG ASP A 65 9.908 -17.453 -2.531 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.528 -17.050 -3.537 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.308 -17.271 -1.363 1.00 0.00 O ATOM 0 H ASP A 65 7.123 -15.571 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 65 7.686 -16.498 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.422 -18.849 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.698 -18.852 -3.610 1.00 0.00 H new ATOM 1032 N SER A 66 5.014 -17.621 -3.073 1.00 0.00 N ATOM 1033 CA SER A 66 3.791 -18.277 -3.524 1.00 0.00 C ATOM 1034 C SER A 66 3.365 -17.740 -4.889 1.00 0.00 C ATOM 1035 O SER A 66 2.340 -18.146 -5.435 1.00 0.00 O ATOM 1036 CB SER A 66 2.669 -18.070 -2.507 1.00 0.00 C ATOM 1037 OG SER A 66 1.514 -18.809 -2.862 1.00 0.00 O ATOM 0 H SER A 66 4.863 -16.833 -2.443 1.00 0.00 H new ATOM 0 HA SER A 66 3.990 -19.345 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.010 -18.376 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.421 -17.010 -2.445 1.00 0.00 H new ATOM 0 HG SER A 66 1.412 -18.808 -3.837 1.00 0.00 H new ATOM 1043 N GLY A 67 4.164 -16.823 -5.429 1.00 0.00 N ATOM 1044 CA GLY A 67 3.866 -16.237 -6.724 1.00 0.00 C ATOM 1045 C GLY A 67 2.909 -15.067 -6.629 1.00 0.00 C ATOM 1046 O GLY A 67 3.335 -13.936 -6.417 1.00 0.00 O ATOM 0 H GLY A 67 5.016 -16.474 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.794 -15.906 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.437 -17.000 -7.374 1.00 0.00 H new ATOM 1050 N PHE A 68 1.618 -15.335 -6.801 1.00 0.00 N ATOM 1051 CA PHE A 68 0.599 -14.290 -6.721 1.00 0.00 C ATOM 1052 C PHE A 68 0.793 -13.468 -5.457 1.00 0.00 C ATOM 1053 O PHE A 68 0.740 -12.237 -5.477 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.794 -14.923 -6.697 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.899 -14.047 -7.234 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.036 -12.717 -6.841 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.821 -14.572 -8.125 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.068 -11.941 -7.333 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.851 -13.797 -8.620 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.975 -12.480 -8.223 1.00 0.00 C ATOM 0 H PHE A 68 1.251 -16.266 -6.997 1.00 0.00 H new ATOM 0 HA PHE A 68 0.693 -13.643 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.768 -15.846 -7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.035 -15.198 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.329 -12.289 -6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.733 -15.602 -8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.165 -10.912 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.559 -14.220 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.781 -11.873 -8.608 1.00 0.00 H new ATOM 1070 N VAL A 69 1.026 -14.172 -4.360 1.00 0.00 N ATOM 1071 CA VAL A 69 1.213 -13.549 -3.062 1.00 0.00 C ATOM 1072 C VAL A 69 2.454 -12.652 -3.022 1.00 0.00 C ATOM 1073 O VAL A 69 2.395 -11.533 -2.510 1.00 0.00 O ATOM 1074 CB VAL A 69 1.278 -14.627 -1.954 1.00 0.00 C ATOM 1075 CG1 VAL A 69 2.642 -14.680 -1.284 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.176 -14.397 -0.932 1.00 0.00 C ATOM 0 H VAL A 69 1.090 -15.190 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 69 0.352 -12.906 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 69 1.123 -15.597 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.639 -15.451 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.404 -14.913 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.862 -13.714 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.232 -15.162 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.299 -13.413 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.795 -14.451 -1.425 1.00 0.00 H new ATOM 1086 N ARG A 70 3.572 -13.132 -3.564 1.00 0.00 N ATOM 1087 CA ARG A 70 4.807 -12.353 -3.558 1.00 0.00 C ATOM 1088 C ARG A 70 4.801 -11.277 -4.641 1.00 0.00 C ATOM 1089 O ARG A 70 5.525 -10.285 -4.542 1.00 0.00 O ATOM 1090 CB ARG A 70 6.030 -13.257 -3.724 1.00 0.00 C ATOM 1091 CG ARG A 70 5.992 -14.116 -4.970 1.00 0.00 C ATOM 1092 CD ARG A 70 7.389 -14.515 -5.415 1.00 0.00 C ATOM 1093 NE ARG A 70 7.400 -15.020 -6.786 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.457 -15.588 -7.357 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.589 -15.731 -6.680 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.382 -16.015 -8.611 1.00 0.00 N ATOM 0 H ARG A 70 3.648 -14.047 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 70 4.866 -11.858 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.927 -12.638 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.113 -13.904 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.401 -15.011 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.495 -13.572 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.054 -13.654 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.780 -15.279 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 70 6.546 -14.931 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.651 -15.404 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.397 -16.168 -7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.514 -15.907 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.193 -16.451 -9.051 1.00 0.00 H new ATOM 1110 N SER A 71 3.986 -11.472 -5.669 1.00 0.00 N ATOM 1111 CA SER A 71 3.900 -10.513 -6.764 1.00 0.00 C ATOM 1112 C SER A 71 3.299 -9.200 -6.280 1.00 0.00 C ATOM 1113 O SER A 71 3.873 -8.132 -6.494 1.00 0.00 O ATOM 1114 CB SER A 71 3.066 -11.082 -7.914 1.00 0.00 C ATOM 1115 OG SER A 71 3.662 -12.252 -8.446 1.00 0.00 O ATOM 0 H SER A 71 3.376 -12.283 -5.768 1.00 0.00 H new ATOM 0 HA SER A 71 4.909 -10.321 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.061 -11.311 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.964 -10.333 -8.699 1.00 0.00 H new ATOM 0 HG SER A 71 3.584 -12.983 -7.798 1.00 0.00 H new ATOM 1121 N GLY A 72 2.142 -9.287 -5.627 1.00 0.00 N ATOM 1122 CA GLY A 72 1.488 -8.095 -5.116 1.00 0.00 C ATOM 1123 C GLY A 72 2.416 -7.262 -4.260 1.00 0.00 C ATOM 1124 O GLY A 72 2.503 -6.047 -4.428 1.00 0.00 O ATOM 0 H GLY A 72 1.647 -10.160 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.127 -7.494 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.615 -8.383 -4.530 1.00 0.00 H new ATOM 1128 N ALA A 73 3.104 -7.922 -3.336 1.00 0.00 N ATOM 1129 CA ALA A 73 4.046 -7.247 -2.454 1.00 0.00 C ATOM 1130 C ALA A 73 5.106 -6.501 -3.259 1.00 0.00 C ATOM 1131 O ALA A 73 5.520 -5.401 -2.896 1.00 0.00 O ATOM 1132 CB ALA A 73 4.702 -8.255 -1.526 1.00 0.00 C ATOM 0 H ALA A 73 3.026 -8.927 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 73 3.498 -6.518 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.405 -7.742 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.938 -8.747 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.235 -9.000 -2.117 1.00 0.00 H new ATOM 1138 N ALA A 74 5.553 -7.119 -4.347 1.00 0.00 N ATOM 1139 CA ALA A 74 6.562 -6.522 -5.211 1.00 0.00 C ATOM 1140 C ALA A 74 6.077 -5.211 -5.827 1.00 0.00 C ATOM 1141 O ALA A 74 6.733 -4.176 -5.709 1.00 0.00 O ATOM 1142 CB ALA A 74 6.962 -7.501 -6.303 1.00 0.00 C ATOM 0 H ALA A 74 5.230 -8.037 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 74 7.432 -6.294 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.717 -7.044 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.369 -8.405 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.087 -7.757 -6.900 1.00 0.00 H new ATOM 1148 N ARG A 75 4.921 -5.266 -6.486 1.00 0.00 N ATOM 1149 CA ARG A 75 4.350 -4.095 -7.146 1.00 0.00 C ATOM 1150 C ARG A 75 3.826 -3.061 -6.150 1.00 0.00 C ATOM 1151 O ARG A 75 3.787 -1.869 -6.453 1.00 0.00 O ATOM 1152 CB ARG A 75 3.222 -4.521 -8.091 1.00 0.00 C ATOM 1153 CG ARG A 75 2.264 -5.534 -7.481 1.00 0.00 C ATOM 1154 CD ARG A 75 1.163 -5.922 -8.456 1.00 0.00 C ATOM 1155 NE ARG A 75 1.692 -6.230 -9.783 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.194 -5.730 -10.911 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.161 -4.897 -10.875 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.730 -6.060 -12.078 1.00 0.00 N ATOM 0 H ARG A 75 4.360 -6.113 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 75 5.153 -3.625 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.659 -3.638 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.658 -4.945 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.817 -6.425 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.820 -5.117 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.625 -6.788 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.443 -5.108 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 75 2.488 -6.864 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.254 -4.638 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.217 -4.516 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.525 -6.698 -12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.347 -5.676 -12.942 1.00 0.00 H new ATOM 1172 N SER A 76 3.430 -3.514 -4.966 1.00 0.00 N ATOM 1173 CA SER A 76 2.900 -2.612 -3.946 1.00 0.00 C ATOM 1174 C SER A 76 3.950 -1.603 -3.494 1.00 0.00 C ATOM 1175 O SER A 76 3.637 -0.433 -3.274 1.00 0.00 O ATOM 1176 CB SER A 76 2.379 -3.404 -2.748 1.00 0.00 C ATOM 1177 OG SER A 76 3.359 -4.301 -2.269 1.00 0.00 O ATOM 0 H SER A 76 3.465 -4.495 -4.688 1.00 0.00 H new ATOM 0 HA SER A 76 2.073 -2.060 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.089 -2.718 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.484 -3.957 -3.034 1.00 0.00 H new ATOM 0 HG SER A 76 4.140 -4.279 -2.861 1.00 0.00 H new ATOM 1183 N LEU A 77 5.192 -2.054 -3.346 1.00 0.00 N ATOM 1184 CA LEU A 77 6.272 -1.167 -2.924 1.00 0.00 C ATOM 1185 C LEU A 77 6.471 -0.046 -3.937 1.00 0.00 C ATOM 1186 O LEU A 77 6.349 1.132 -3.603 1.00 0.00 O ATOM 1187 CB LEU A 77 7.572 -1.950 -2.742 1.00 0.00 C ATOM 1188 CG LEU A 77 7.558 -2.975 -1.607 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.875 -3.727 -1.560 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.286 -2.294 -0.273 1.00 0.00 C ATOM 0 H LEU A 77 5.475 -3.020 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 77 5.995 -0.726 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.801 -2.466 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.382 -1.243 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 77 6.756 -3.689 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.851 -4.453 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.032 -4.246 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.690 -3.023 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.280 -3.040 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.065 -1.558 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.317 -1.795 -0.310 1.00 0.00 H new ATOM 1202 N GLU A 78 6.783 -0.419 -5.177 1.00 0.00 N ATOM 1203 CA GLU A 78 6.971 0.560 -6.241 1.00 0.00 C ATOM 1204 C GLU A 78 5.736 1.445 -6.361 1.00 0.00 C ATOM 1205 O GLU A 78 5.813 2.585 -6.818 1.00 0.00 O ATOM 1206 CB GLU A 78 7.250 -0.138 -7.575 1.00 0.00 C ATOM 1207 CG GLU A 78 7.577 0.821 -8.707 1.00 0.00 C ATOM 1208 CD GLU A 78 7.914 0.106 -10.000 1.00 0.00 C ATOM 1209 OE1 GLU A 78 9.100 -0.233 -10.198 1.00 0.00 O ATOM 1210 OE2 GLU A 78 6.994 -0.117 -10.814 1.00 0.00 O ATOM 0 H GLU A 78 6.910 -1.389 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 78 7.831 1.181 -5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.081 -0.831 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.380 -0.732 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.727 1.483 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.418 1.449 -8.414 1.00 0.00 H new ATOM 1217 N GLN A 79 4.597 0.902 -5.941 1.00 0.00 N ATOM 1218 CA GLN A 79 3.338 1.633 -5.977 1.00 0.00 C ATOM 1219 C GLN A 79 3.353 2.760 -4.949 1.00 0.00 C ATOM 1220 O GLN A 79 2.953 3.887 -5.241 1.00 0.00 O ATOM 1221 CB GLN A 79 2.170 0.684 -5.701 1.00 0.00 C ATOM 1222 CG GLN A 79 1.436 0.235 -6.954 1.00 0.00 C ATOM 1223 CD GLN A 79 0.663 -1.055 -6.749 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.464 -1.827 -7.687 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.222 -1.296 -5.518 1.00 0.00 N ATOM 0 H GLN A 79 4.522 -0.045 -5.571 1.00 0.00 H new ATOM 0 HA GLN A 79 3.213 2.066 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.544 -0.195 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.463 1.177 -5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.748 1.020 -7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.155 0.099 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.409 -0.629 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.304 -2.148 -5.322 1.00 0.00 H new ATOM 1234 N ILE A 80 3.820 2.442 -3.744 1.00 0.00 N ATOM 1235 CA ILE A 80 3.904 3.421 -2.671 1.00 0.00 C ATOM 1236 C ILE A 80 4.888 4.531 -3.029 1.00 0.00 C ATOM 1237 O ILE A 80 4.511 5.699 -3.127 1.00 0.00 O ATOM 1238 CB ILE A 80 4.340 2.757 -1.347 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.297 1.726 -0.908 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.546 3.806 -0.262 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.703 0.932 0.317 1.00 0.00 C ATOM 0 H ILE A 80 4.146 1.510 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 80 2.911 3.850 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 80 5.289 2.247 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.357 2.238 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.111 1.037 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.853 3.317 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.319 4.507 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.613 4.345 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.915 0.222 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.626 0.391 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.860 1.611 1.155 1.00 0.00 H new ATOM 1253 N GLY A 81 6.148 4.152 -3.234 1.00 0.00 N ATOM 1254 CA GLY A 81 7.176 5.119 -3.588 1.00 0.00 C ATOM 1255 C GLY A 81 7.405 6.163 -2.510 1.00 0.00 C ATOM 1256 O GLY A 81 6.475 6.852 -2.091 1.00 0.00 O ATOM 0 H GLY A 81 6.476 3.189 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.111 4.593 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.894 5.618 -4.515 1.00 0.00 H new ATOM 1260 N GLY A 82 8.651 6.284 -2.063 1.00 0.00 N ATOM 1261 CA GLY A 82 8.975 7.256 -1.037 1.00 0.00 C ATOM 1262 C GLY A 82 10.141 6.832 -0.171 1.00 0.00 C ATOM 1263 O GLY A 82 10.541 5.668 -0.178 1.00 0.00 O ATOM 0 H GLY A 82 9.440 5.727 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.208 8.211 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.100 7.417 -0.407 1.00 0.00 H new ATOM 1267 N GLU A 83 10.686 7.785 0.577 1.00 0.00 N ATOM 1268 CA GLU A 83 11.813 7.523 1.463 1.00 0.00 C ATOM 1269 C GLU A 83 11.463 6.437 2.477 1.00 0.00 C ATOM 1270 O GLU A 83 12.346 5.783 3.032 1.00 0.00 O ATOM 1271 CB GLU A 83 12.219 8.808 2.188 1.00 0.00 C ATOM 1272 CG GLU A 83 13.466 8.660 3.044 1.00 0.00 C ATOM 1273 CD GLU A 83 14.720 8.438 2.220 1.00 0.00 C ATOM 1274 OE1 GLU A 83 15.042 7.266 1.932 1.00 0.00 O ATOM 1275 OE2 GLU A 83 15.380 9.437 1.863 1.00 0.00 O ATOM 0 H GLU A 83 10.362 8.752 0.587 1.00 0.00 H new ATOM 0 HA GLU A 83 12.651 7.173 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.387 9.593 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.393 9.135 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.591 9.555 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.334 7.823 3.729 1.00 0.00 H new ATOM 1282 N ARG A 84 10.167 6.251 2.712 1.00 0.00 N ATOM 1283 CA ARG A 84 9.698 5.251 3.662 1.00 0.00 C ATOM 1284 C ARG A 84 9.845 3.843 3.088 1.00 0.00 C ATOM 1285 O ARG A 84 10.163 2.903 3.816 1.00 0.00 O ATOM 1286 CB ARG A 84 8.244 5.523 4.092 1.00 0.00 C ATOM 1287 CG ARG A 84 7.377 6.209 3.041 1.00 0.00 C ATOM 1288 CD ARG A 84 6.948 5.249 1.950 1.00 0.00 C ATOM 1289 NE ARG A 84 6.227 4.100 2.492 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.991 4.168 2.977 1.00 0.00 C ATOM 1291 NH1 ARG A 84 4.340 5.324 2.986 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.402 3.080 3.454 1.00 0.00 N ATOM 0 H ARG A 84 9.424 6.781 2.257 1.00 0.00 H new ATOM 0 HA ARG A 84 10.323 5.321 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.778 4.576 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.256 6.141 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.494 6.634 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.930 7.038 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.313 5.772 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.826 4.903 1.404 1.00 0.00 H new ATOM 0 HE ARG A 84 6.698 3.195 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.788 6.164 2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.392 5.372 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.897 2.188 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.454 3.135 3.826 1.00 0.00 H new ATOM 1306 N VAL A 85 9.614 3.697 1.784 1.00 0.00 N ATOM 1307 CA VAL A 85 9.753 2.397 1.136 1.00 0.00 C ATOM 1308 C VAL A 85 11.222 2.009 1.057 1.00 0.00 C ATOM 1309 O VAL A 85 11.563 0.827 1.043 1.00 0.00 O ATOM 1310 CB VAL A 85 9.161 2.378 -0.286 1.00 0.00 C ATOM 1311 CG1 VAL A 85 9.084 0.953 -0.811 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.792 3.031 -0.315 1.00 0.00 C ATOM 0 H VAL A 85 9.333 4.455 1.162 1.00 0.00 H new ATOM 0 HA VAL A 85 9.197 1.683 1.744 1.00 0.00 H new ATOM 0 HB VAL A 85 9.822 2.952 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.663 0.958 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.084 0.521 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.449 0.357 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.397 3.004 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.118 2.492 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.876 4.067 0.014 1.00 0.00 H new ATOM 1322 N ARG A 86 12.087 3.020 0.994 1.00 0.00 N ATOM 1323 CA ARG A 86 13.526 2.798 0.927 1.00 0.00 C ATOM 1324 C ARG A 86 13.966 1.859 2.042 1.00 0.00 C ATOM 1325 O ARG A 86 14.937 1.119 1.898 1.00 0.00 O ATOM 1326 CB ARG A 86 14.276 4.129 1.031 1.00 0.00 C ATOM 1327 CG ARG A 86 15.789 3.996 0.945 1.00 0.00 C ATOM 1328 CD ARG A 86 16.239 3.551 -0.438 1.00 0.00 C ATOM 1329 NE ARG A 86 17.679 3.713 -0.623 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.529 2.698 -0.748 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.090 1.447 -0.697 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.823 2.934 -0.923 1.00 0.00 N ATOM 0 H ARG A 86 11.813 4.002 0.988 1.00 0.00 H new ATOM 0 HA ARG A 86 13.763 2.339 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.934 4.790 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.017 4.607 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 86 16.252 4.952 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 86 16.134 3.277 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.969 2.506 -0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.709 4.129 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 86 18.055 4.661 -0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.096 1.260 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.746 0.672 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 86 20.166 3.894 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.475 2.155 -1.019 1.00 0.00 H new ATOM 1346 N ALA A 87 13.238 1.895 3.154 1.00 0.00 N ATOM 1347 CA ALA A 87 13.541 1.040 4.293 1.00 0.00 C ATOM 1348 C ALA A 87 12.887 -0.322 4.113 1.00 0.00 C ATOM 1349 O ALA A 87 13.405 -1.341 4.574 1.00 0.00 O ATOM 1350 CB ALA A 87 13.075 1.691 5.587 1.00 0.00 C ATOM 0 H ALA A 87 12.434 2.508 3.289 1.00 0.00 H new ATOM 0 HA ALA A 87 14.621 0.903 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.309 1.038 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.583 2.647 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.998 1.855 5.544 1.00 0.00 H new ATOM 1356 N ALA A 88 11.742 -0.328 3.437 1.00 0.00 N ATOM 1357 CA ALA A 88 11.011 -1.559 3.178 1.00 0.00 C ATOM 1358 C ALA A 88 11.823 -2.486 2.283 1.00 0.00 C ATOM 1359 O ALA A 88 12.100 -3.629 2.647 1.00 0.00 O ATOM 1360 CB ALA A 88 9.664 -1.250 2.539 1.00 0.00 C ATOM 0 H ALA A 88 11.301 0.510 3.058 1.00 0.00 H new ATOM 0 HA ALA A 88 10.838 -2.064 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.128 -2.181 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.078 -0.623 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.820 -0.725 1.597 1.00 0.00 H new ATOM 1366 N MET A 89 12.207 -1.987 1.110 1.00 0.00 N ATOM 1367 CA MET A 89 12.995 -2.777 0.173 1.00 0.00 C ATOM 1368 C MET A 89 14.357 -3.106 0.765 1.00 0.00 C ATOM 1369 O MET A 89 14.985 -4.090 0.382 1.00 0.00 O ATOM 1370 CB MET A 89 13.154 -2.049 -1.167 1.00 0.00 C ATOM 1371 CG MET A 89 13.737 -0.647 -1.065 1.00 0.00 C ATOM 1372 SD MET A 89 15.483 -0.625 -0.605 1.00 0.00 S ATOM 1373 CE MET A 89 16.202 -1.612 -1.914 1.00 0.00 C ATOM 0 H MET A 89 11.986 -1.044 0.789 1.00 0.00 H new ATOM 0 HA MET A 89 12.461 -3.709 -0.011 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.794 -2.647 -1.816 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.179 -1.988 -1.649 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.615 -0.141 -2.023 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.168 -0.078 -0.329 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.289 -1.542 -1.868 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.900 -2.652 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.855 -1.244 -2.880 1.00 0.00 H new ATOM 1383 N GLU A 90 14.813 -2.274 1.699 1.00 0.00 N ATOM 1384 CA GLU A 90 16.096 -2.498 2.349 1.00 0.00 C ATOM 1385 C GLU A 90 16.018 -3.731 3.238 1.00 0.00 C ATOM 1386 O GLU A 90 17.007 -4.439 3.426 1.00 0.00 O ATOM 1387 CB GLU A 90 16.511 -1.276 3.172 1.00 0.00 C ATOM 1388 CG GLU A 90 17.462 -0.344 2.438 1.00 0.00 C ATOM 1389 CD GLU A 90 18.753 -1.028 2.033 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.692 -1.061 2.857 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.825 -1.532 0.892 1.00 0.00 O ATOM 0 H GLU A 90 14.314 -1.444 2.019 1.00 0.00 H new ATOM 0 HA GLU A 90 16.850 -2.660 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.618 -0.720 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.985 -1.613 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.968 0.046 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.692 0.510 3.075 1.00 0.00 H new ATOM 1398 N LYS A 91 14.831 -3.977 3.782 1.00 0.00 N ATOM 1399 CA LYS A 91 14.610 -5.133 4.641 1.00 0.00 C ATOM 1400 C LYS A 91 14.619 -6.417 3.816 1.00 0.00 C ATOM 1401 O LYS A 91 15.130 -7.445 4.262 1.00 0.00 O ATOM 1402 CB LYS A 91 13.284 -4.986 5.395 1.00 0.00 C ATOM 1403 CG LYS A 91 13.176 -5.864 6.632 1.00 0.00 C ATOM 1404 CD LYS A 91 12.774 -7.286 6.281 1.00 0.00 C ATOM 1405 CE LYS A 91 12.609 -8.141 7.526 1.00 0.00 C ATOM 1406 NZ LYS A 91 11.623 -7.557 8.477 1.00 0.00 N ATOM 0 H LYS A 91 14.008 -3.391 3.643 1.00 0.00 H new ATOM 0 HA LYS A 91 15.419 -5.188 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.159 -3.944 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.464 -5.227 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.133 -5.875 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.443 -5.438 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.839 -7.273 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.529 -7.729 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.287 -9.142 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.573 -8.247 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.336 -8.280 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.056 -6.754 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.787 -7.229 7.952 1.00 0.00 H new ATOM 1420 N LEU A 92 14.067 -6.353 2.605 1.00 0.00 N ATOM 1421 CA LEU A 92 14.028 -7.513 1.731 1.00 0.00 C ATOM 1422 C LEU A 92 15.363 -7.654 1.005 1.00 0.00 C ATOM 1423 O LEU A 92 15.765 -8.752 0.630 1.00 0.00 O ATOM 1424 CB LEU A 92 12.857 -7.390 0.745 1.00 0.00 C ATOM 1425 CG LEU A 92 13.148 -7.796 -0.702 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.256 -9.310 -0.829 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.063 -7.259 -1.624 1.00 0.00 C ATOM 0 H LEU A 92 13.644 -5.512 2.213 1.00 0.00 H new ATOM 0 HA LEU A 92 13.869 -8.414 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.033 -8.001 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.513 -6.356 0.748 1.00 0.00 H new ATOM 0 HG LEU A 92 14.104 -7.364 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.463 -9.574 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.065 -9.672 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.318 -9.769 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.280 -7.553 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.097 -7.667 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.034 -6.171 -1.557 1.00 0.00 H new ATOM 1439 N ALA A 93 16.050 -6.529 0.826 1.00 0.00 N ATOM 1440 CA ALA A 93 17.349 -6.523 0.166 1.00 0.00 C ATOM 1441 C ALA A 93 18.336 -7.381 0.942 1.00 0.00 C ATOM 1442 O ALA A 93 19.292 -7.915 0.381 1.00 0.00 O ATOM 1443 CB ALA A 93 17.878 -5.103 0.051 1.00 0.00 C ATOM 0 H ALA A 93 15.727 -5.610 1.129 1.00 0.00 H new ATOM 0 HA ALA A 93 17.230 -6.936 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.849 -5.115 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.181 -4.501 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.984 -4.672 1.047 1.00 0.00 H new ATOM 1449 N GLU A 94 18.086 -7.507 2.241 1.00 0.00 N ATOM 1450 CA GLU A 94 18.936 -8.302 3.112 1.00 0.00 C ATOM 1451 C GLU A 94 18.585 -9.777 2.966 1.00 0.00 C ATOM 1452 O GLU A 94 19.418 -10.655 3.189 1.00 0.00 O ATOM 1453 CB GLU A 94 18.767 -7.853 4.565 1.00 0.00 C ATOM 1454 CG GLU A 94 19.645 -8.614 5.538 1.00 0.00 C ATOM 1455 CD GLU A 94 21.124 -8.385 5.296 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.683 -7.438 5.886 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.723 -9.153 4.513 1.00 0.00 O ATOM 0 H GLU A 94 17.297 -7.065 2.713 1.00 0.00 H new ATOM 0 HA GLU A 94 19.978 -8.158 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.995 -6.790 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.724 -7.976 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.397 -8.313 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.429 -9.679 5.459 1.00 0.00 H new ATOM 1464 N THR A 95 17.337 -10.033 2.591 1.00 0.00 N ATOM 1465 CA THR A 95 16.853 -11.391 2.379 1.00 0.00 C ATOM 1466 C THR A 95 16.617 -11.622 0.894 1.00 0.00 C ATOM 1467 O THR A 95 15.896 -12.539 0.498 1.00 0.00 O ATOM 1468 CB THR A 95 15.545 -11.655 3.149 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.597 -10.618 2.874 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.803 -11.731 4.646 1.00 0.00 C ATOM 0 H THR A 95 16.637 -9.310 2.426 1.00 0.00 H new ATOM 0 HA THR A 95 17.612 -12.078 2.753 1.00 0.00 H new ATOM 0 HB THR A 95 15.142 -12.612 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.833 -10.703 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.865 -11.918 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.502 -12.541 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.228 -10.788 4.990 1.00 0.00 H new ATOM 1478 N GLY A 96 17.240 -10.773 0.081 1.00 0.00 N ATOM 1479 CA GLY A 96 17.098 -10.860 -1.357 1.00 0.00 C ATOM 1480 C GLY A 96 17.402 -12.238 -1.901 1.00 0.00 C ATOM 1481 O GLY A 96 18.548 -12.688 -1.875 1.00 0.00 O ATOM 0 H GLY A 96 17.847 -10.018 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.080 -10.583 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.764 -10.136 -1.826 1.00 0.00 H new ATOM 1485 N THR A 97 16.370 -12.907 -2.396 1.00 0.00 N ATOM 1486 CA THR A 97 16.521 -14.240 -2.961 1.00 0.00 C ATOM 1487 C THR A 97 15.612 -14.423 -4.173 1.00 0.00 C ATOM 1488 O THR A 97 14.422 -14.112 -4.122 1.00 0.00 O ATOM 1489 CB THR A 97 16.213 -15.338 -1.923 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.361 -16.632 -2.520 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.803 -15.190 -1.368 1.00 0.00 C ATOM 0 H THR A 97 15.416 -12.547 -2.418 1.00 0.00 H new ATOM 0 HA THR A 97 17.562 -14.337 -3.270 1.00 0.00 H new ATOM 0 HB THR A 97 16.920 -15.231 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.165 -17.324 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.614 -15.978 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.702 -14.218 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.082 -15.268 -2.181 1.00 0.00 H new ATOM 1499 N GLY A 98 16.184 -14.919 -5.264 1.00 0.00 N ATOM 1500 CA GLY A 98 15.410 -15.134 -6.473 1.00 0.00 C ATOM 1501 C GLY A 98 14.862 -13.845 -7.055 1.00 0.00 C ATOM 1502 O GLY A 98 15.607 -12.895 -7.296 1.00 0.00 O ATOM 0 H GLY A 98 17.169 -15.176 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.036 -15.627 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.583 -15.810 -6.255 1.00 0.00 H new ATOM 1506 N PHE A 99 13.553 -13.819 -7.280 1.00 0.00 N ATOM 1507 CA PHE A 99 12.884 -12.648 -7.837 1.00 0.00 C ATOM 1508 C PHE A 99 12.626 -11.604 -6.755 1.00 0.00 C ATOM 1509 O PHE A 99 12.596 -10.404 -7.029 1.00 0.00 O ATOM 1510 CB PHE A 99 11.565 -13.074 -8.496 1.00 0.00 C ATOM 1511 CG PHE A 99 10.548 -11.973 -8.614 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.572 -11.097 -9.687 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.563 -11.818 -7.650 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.635 -10.087 -9.796 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.624 -10.810 -7.753 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.659 -9.944 -8.828 1.00 0.00 C ATOM 0 H PHE A 99 12.930 -14.602 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 99 13.532 -12.198 -8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.779 -13.463 -9.491 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.132 -13.892 -7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.332 -11.205 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.530 -12.494 -6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.665 -9.410 -10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.864 -10.699 -6.994 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.925 -9.156 -8.912 1.00 0.00 H new ATOM 1526 N ALA A 100 12.441 -12.074 -5.525 1.00 0.00 N ATOM 1527 CA ALA A 100 12.176 -11.194 -4.393 1.00 0.00 C ATOM 1528 C ALA A 100 13.209 -10.075 -4.295 1.00 0.00 C ATOM 1529 O ALA A 100 12.886 -8.956 -3.908 1.00 0.00 O ATOM 1530 CB ALA A 100 12.148 -11.998 -3.103 1.00 0.00 C ATOM 0 H ALA A 100 12.470 -13.065 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 100 11.202 -10.731 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.949 -11.332 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.363 -12.752 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.111 -12.487 -2.958 1.00 0.00 H new ATOM 1536 N ARG A 101 14.449 -10.383 -4.654 1.00 0.00 N ATOM 1537 CA ARG A 101 15.529 -9.403 -4.592 1.00 0.00 C ATOM 1538 C ARG A 101 15.395 -8.346 -5.681 1.00 0.00 C ATOM 1539 O ARG A 101 15.354 -7.150 -5.391 1.00 0.00 O ATOM 1540 CB ARG A 101 16.872 -10.102 -4.731 1.00 0.00 C ATOM 1541 CG ARG A 101 18.058 -9.158 -4.636 1.00 0.00 C ATOM 1542 CD ARG A 101 19.284 -9.862 -4.081 1.00 0.00 C ATOM 1543 NE ARG A 101 20.476 -9.022 -4.160 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.679 -9.407 -3.746 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.850 -10.611 -3.216 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.714 -8.585 -3.861 1.00 0.00 N ATOM 0 H ARG A 101 14.733 -11.303 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 101 15.466 -8.905 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.959 -10.862 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.906 -10.620 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.284 -8.755 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.802 -8.313 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.104 -10.140 -3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.454 -10.786 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 101 20.380 -8.087 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.057 -11.245 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.775 -10.902 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.586 -7.658 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.637 -8.880 -3.543 1.00 0.00 H new ATOM 1560 N LYS A 102 15.345 -8.797 -6.935 1.00 0.00 N ATOM 1561 CA LYS A 102 15.219 -7.896 -8.079 1.00 0.00 C ATOM 1562 C LYS A 102 14.142 -6.847 -7.825 1.00 0.00 C ATOM 1563 O LYS A 102 14.150 -5.773 -8.420 1.00 0.00 O ATOM 1564 CB LYS A 102 14.884 -8.693 -9.343 1.00 0.00 C ATOM 1565 CG LYS A 102 14.777 -7.838 -10.598 1.00 0.00 C ATOM 1566 CD LYS A 102 16.135 -7.318 -11.045 1.00 0.00 C ATOM 1567 CE LYS A 102 17.044 -8.449 -11.501 1.00 0.00 C ATOM 1568 NZ LYS A 102 16.442 -9.232 -12.615 1.00 0.00 N ATOM 0 H LYS A 102 15.390 -9.785 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 102 16.172 -7.386 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.651 -9.452 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.941 -9.218 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.330 -8.425 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.110 -6.997 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.003 -6.606 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.607 -6.779 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.001 -8.038 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.248 -9.112 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.182 -9.792 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.713 -9.870 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.010 -8.582 -13.303 1.00 0.00 H new ATOM 1582 N VAL A 103 13.223 -7.174 -6.931 1.00 0.00 N ATOM 1583 CA VAL A 103 12.133 -6.281 -6.576 1.00 0.00 C ATOM 1584 C VAL A 103 12.632 -5.070 -5.786 1.00 0.00 C ATOM 1585 O VAL A 103 12.429 -3.925 -6.189 1.00 0.00 O ATOM 1586 CB VAL A 103 11.088 -7.035 -5.735 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.076 -6.073 -5.127 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.388 -8.086 -6.579 1.00 0.00 C ATOM 0 H VAL A 103 13.212 -8.064 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 103 11.683 -5.927 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 103 11.607 -7.535 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.350 -6.633 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.592 -5.360 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.561 -5.536 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.652 -8.611 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.887 -7.604 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.122 -8.799 -6.955 1.00 0.00 H new ATOM 1598 N ALA A 104 13.285 -5.340 -4.661 1.00 0.00 N ATOM 1599 CA ALA A 104 13.802 -4.291 -3.787 1.00 0.00 C ATOM 1600 C ALA A 104 14.806 -3.374 -4.489 1.00 0.00 C ATOM 1601 O ALA A 104 14.635 -2.155 -4.518 1.00 0.00 O ATOM 1602 CB ALA A 104 14.453 -4.922 -2.567 1.00 0.00 C ATOM 0 H ALA A 104 13.471 -6.287 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 104 12.955 -3.671 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.839 -4.139 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.715 -5.514 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.273 -5.566 -2.884 1.00 0.00 H new ATOM 1608 N VAL A 105 15.845 -3.974 -5.052 1.00 0.00 N ATOM 1609 CA VAL A 105 16.913 -3.227 -5.716 1.00 0.00 C ATOM 1610 C VAL A 105 16.433 -2.430 -6.931 1.00 0.00 C ATOM 1611 O VAL A 105 16.641 -1.220 -7.001 1.00 0.00 O ATOM 1612 CB VAL A 105 18.067 -4.163 -6.139 1.00 0.00 C ATOM 1613 CG1 VAL A 105 17.561 -5.292 -7.024 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.167 -3.378 -6.840 1.00 0.00 C ATOM 0 H VAL A 105 15.975 -4.986 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 105 17.270 -2.510 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 105 18.486 -4.608 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.395 -5.935 -7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 105 16.820 -5.877 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.105 -4.874 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.970 -4.056 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.760 -2.897 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 105 19.560 -2.619 -6.164 1.00 0.00 H new ATOM 1624 N ASN A 106 15.802 -3.104 -7.888 1.00 0.00 N ATOM 1625 CA ASN A 106 15.328 -2.439 -9.102 1.00 0.00 C ATOM 1626 C ASN A 106 14.382 -1.286 -8.784 1.00 0.00 C ATOM 1627 O ASN A 106 14.329 -0.299 -9.518 1.00 0.00 O ATOM 1628 CB ASN A 106 14.631 -3.438 -10.025 1.00 0.00 C ATOM 1629 CG ASN A 106 14.141 -2.793 -11.308 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.019 -2.293 -11.376 1.00 0.00 O ATOM 1631 ND2 ASN A 106 14.982 -2.806 -12.336 1.00 0.00 N ATOM 0 H ASN A 106 15.607 -4.104 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 106 16.203 -2.030 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.320 -4.247 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.787 -3.886 -9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.706 -2.390 -13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.904 -3.232 -12.236 1.00 0.00 H new ATOM 1638 N TYR A 107 13.636 -1.412 -7.692 1.00 0.00 N ATOM 1639 CA TYR A 107 12.692 -0.384 -7.296 1.00 0.00 C ATOM 1640 C TYR A 107 13.411 0.937 -7.042 1.00 0.00 C ATOM 1641 O TYR A 107 12.872 2.014 -7.298 1.00 0.00 O ATOM 1642 CB TYR A 107 11.931 -0.834 -6.049 1.00 0.00 C ATOM 1643 CG TYR A 107 11.370 0.309 -5.242 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.408 1.161 -5.766 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.826 0.543 -3.960 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.914 2.216 -5.026 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.343 1.597 -3.211 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.386 2.432 -3.750 1.00 0.00 C ATOM 1649 OH TYR A 107 9.901 3.487 -3.012 1.00 0.00 O ATOM 0 H TYR A 107 13.670 -2.218 -7.068 1.00 0.00 H new ATOM 0 HA TYR A 107 11.979 -0.228 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.115 -1.492 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.598 -1.421 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.040 0.996 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.574 -0.110 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.162 2.868 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.712 1.767 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 107 10.636 3.905 -2.516 1.00 0.00 H new ATOM 1659 N LEU A 108 14.638 0.836 -6.543 1.00 0.00 N ATOM 1660 CA LEU A 108 15.453 2.005 -6.237 1.00 0.00 C ATOM 1661 C LEU A 108 15.592 2.931 -7.444 1.00 0.00 C ATOM 1662 O LEU A 108 16.037 4.071 -7.310 1.00 0.00 O ATOM 1663 CB LEU A 108 16.835 1.562 -5.761 1.00 0.00 C ATOM 1664 CG LEU A 108 16.853 0.786 -4.442 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.270 0.358 -4.096 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.262 1.626 -3.319 1.00 0.00 C ATOM 0 H LEU A 108 15.094 -0.054 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 108 14.951 2.563 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.286 0.941 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.465 2.445 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 108 16.241 -0.108 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.264 -0.192 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.661 -0.281 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.902 1.240 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.283 1.057 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.847 2.538 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.232 1.885 -3.562 1.00 0.00 H new ATOM 1678 N GLU A 109 15.215 2.434 -8.617 1.00 0.00 N ATOM 1679 CA GLU A 109 15.296 3.220 -9.844 1.00 0.00 C ATOM 1680 C GLU A 109 14.560 4.552 -9.697 1.00 0.00 C ATOM 1681 O GLU A 109 14.817 5.498 -10.440 1.00 0.00 O ATOM 1682 CB GLU A 109 14.715 2.427 -11.017 1.00 0.00 C ATOM 1683 CG GLU A 109 14.855 3.129 -12.359 1.00 0.00 C ATOM 1684 CD GLU A 109 16.287 3.526 -12.664 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.080 2.643 -13.052 1.00 0.00 O ATOM 1686 OE2 GLU A 109 16.615 4.722 -12.515 1.00 0.00 O ATOM 0 H GLU A 109 14.850 1.490 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 109 16.347 3.433 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.211 1.458 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.659 2.234 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.488 2.473 -13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.226 4.019 -12.367 1.00 0.00 H new ATOM 1693 N THR A 110 13.646 4.619 -8.731 1.00 0.00 N ATOM 1694 CA THR A 110 12.877 5.836 -8.491 1.00 0.00 C ATOM 1695 C THR A 110 13.271 6.491 -7.169 1.00 0.00 C ATOM 1696 O THR A 110 13.881 7.561 -7.156 1.00 0.00 O ATOM 1697 CB THR A 110 11.362 5.556 -8.483 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.057 4.522 -7.541 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.883 5.145 -9.868 1.00 0.00 C ATOM 0 H THR A 110 13.421 3.847 -8.104 1.00 0.00 H new ATOM 0 HA THR A 110 13.107 6.517 -9.311 1.00 0.00 H new ATOM 0 HB THR A 110 10.847 6.472 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.092 4.353 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.811 4.952 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.089 5.947 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.406 4.241 -10.181 1.00 0.00 H new ATOM 1707 N HIS A 111 12.918 5.844 -6.060 1.00 0.00 N ATOM 1708 CA HIS A 111 13.236 6.369 -4.736 1.00 0.00 C ATOM 1709 C HIS A 111 14.322 5.532 -4.064 1.00 0.00 C ATOM 1710 O HIS A 111 15.515 5.816 -4.298 1.00 0.00 O ATOM 1711 CB HIS A 111 11.982 6.399 -3.859 1.00 0.00 C ATOM 1712 CG HIS A 111 10.860 7.197 -4.447 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.790 6.621 -5.101 1.00 0.00 N ATOM 1714 CD2 HIS A 111 10.642 8.532 -4.476 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.964 7.569 -5.507 1.00 0.00 C ATOM 1716 NE2 HIS A 111 9.457 8.737 -5.140 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.970 4.601 -3.310 1.00 0.00 O ATOM 0 H HIS A 111 12.413 4.958 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 111 13.609 7.386 -4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.641 5.377 -3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.240 6.813 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.281 9.295 -4.055 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.042 7.414 -6.047 1.00 0.00 H new ATOM 0 HE2 HIS A 111 9.028 9.645 -5.320 1.00 0.00 H new