USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=15 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 91 LYS NZ :NH3+ 139:sc= 0.0134 (180deg=-0.437) USER MOD Set 1.2: A 95 THR OG1 : rot 93:sc= 1.41 USER MOD Single : A 30 SER OG : rot -17:sc= 0.497 USER MOD Single : A 32 SER OG : rot -35:sc= 0.788 USER MOD Single : A 33 ASN :FLIP amide:sc= -4.51! C(o=-6.4!,f=-4.5!) USER MOD Single : A 48 ASN : amide:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.13 F(o=-3.1!,f=-2.1) USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= 0.535 (180deg=-0.762) USER MOD Single : A 66 SER OG : rot 171:sc= 0.0154 USER MOD Single : A 71 SER OG : rot 78:sc= 0.0463 USER MOD Single : A 76 SER OG : rot 53:sc= 1.27 USER MOD Single : A 79 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.6!) USER MOD Single : A 89 MET CE :methyl -155:sc= -2.31! (180deg=-4.24!) USER MOD Single : A 97 THR OG1 : rot -134:sc= -2.53! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc=-0.00824 K(o=-0.0082,f=-0.84) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.98 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.482 F(o=-1.3,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.484 -0.918 4.014 1.00 0.00 N ATOM 348 CA ALA A 23 -12.093 -2.290 3.713 1.00 0.00 C ATOM 349 C ALA A 23 -10.615 -2.510 4.022 1.00 0.00 C ATOM 350 O ALA A 23 -10.059 -3.564 3.719 1.00 0.00 O ATOM 351 CB ALA A 23 -12.391 -2.621 2.258 1.00 0.00 C ATOM 0 HA ALA A 23 -12.676 -2.959 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.093 -3.649 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.459 -2.508 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.835 -1.944 1.610 1.00 0.00 H new ATOM 357 N PHE A 24 -9.992 -1.503 4.627 1.00 0.00 N ATOM 358 CA PHE A 24 -8.586 -1.569 4.996 1.00 0.00 C ATOM 359 C PHE A 24 -8.338 -2.731 5.943 1.00 0.00 C ATOM 360 O PHE A 24 -7.463 -3.565 5.710 1.00 0.00 O ATOM 361 CB PHE A 24 -8.173 -0.253 5.656 1.00 0.00 C ATOM 362 CG PHE A 24 -6.703 0.042 5.581 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.927 -0.446 4.540 1.00 0.00 C ATOM 364 CD2 PHE A 24 -6.100 0.816 6.554 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.580 -0.168 4.475 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.753 1.099 6.493 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.990 0.606 5.453 1.00 0.00 C ATOM 0 H PHE A 24 -10.447 -0.624 4.873 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.989 -1.727 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.720 0.564 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.474 -0.275 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.385 -1.051 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.691 1.203 7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.986 -0.555 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.294 1.707 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.934 0.826 5.405 1.00 0.00 H new ATOM 377 N GLU A 25 -9.106 -2.772 7.022 1.00 0.00 N ATOM 378 CA GLU A 25 -8.986 -3.841 8.000 1.00 0.00 C ATOM 379 C GLU A 25 -9.339 -5.201 7.395 1.00 0.00 C ATOM 380 O GLU A 25 -8.521 -6.116 7.435 1.00 0.00 O ATOM 381 CB GLU A 25 -9.874 -3.580 9.204 1.00 0.00 C ATOM 382 CG GLU A 25 -9.188 -2.819 10.328 1.00 0.00 C ATOM 383 CD GLU A 25 -8.106 -3.634 11.008 1.00 0.00 C ATOM 384 OE1 GLU A 25 -6.991 -3.720 10.453 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.373 -4.188 12.095 1.00 0.00 O ATOM 0 H GLU A 25 -9.819 -2.076 7.242 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.944 -3.862 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.750 -3.018 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.232 -4.534 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.751 -1.904 9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.932 -2.521 11.067 1.00 0.00 H new ATOM 392 N PRO A 26 -10.563 -5.366 6.829 1.00 0.00 N ATOM 393 CA PRO A 26 -10.976 -6.639 6.227 1.00 0.00 C ATOM 394 C PRO A 26 -9.922 -7.148 5.261 1.00 0.00 C ATOM 395 O PRO A 26 -9.851 -8.338 4.953 1.00 0.00 O ATOM 396 CB PRO A 26 -12.258 -6.298 5.468 1.00 0.00 C ATOM 397 CG PRO A 26 -12.781 -5.049 6.090 1.00 0.00 C ATOM 398 CD PRO A 26 -11.613 -4.334 6.717 1.00 0.00 C ATOM 0 HA PRO A 26 -11.118 -7.420 6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.056 -6.151 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.985 -7.107 5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.260 -4.418 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.536 -5.281 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.283 -3.497 6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.875 -3.927 7.694 1.00 0.00 H new ATOM 406 N LEU A 27 -9.108 -6.218 4.794 1.00 0.00 N ATOM 407 CA LEU A 27 -8.037 -6.504 3.869 1.00 0.00 C ATOM 408 C LEU A 27 -6.844 -7.087 4.621 1.00 0.00 C ATOM 409 O LEU A 27 -6.215 -8.045 4.171 1.00 0.00 O ATOM 410 CB LEU A 27 -7.671 -5.201 3.166 1.00 0.00 C ATOM 411 CG LEU A 27 -6.202 -5.020 2.816 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.785 -6.004 1.736 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.943 -3.589 2.374 1.00 0.00 C ATOM 0 H LEU A 27 -9.177 -5.234 5.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.345 -7.242 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.254 -5.131 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.977 -4.370 3.802 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.602 -5.221 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.731 -5.859 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.940 -7.022 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.384 -5.837 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.888 -3.470 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.550 -3.364 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.205 -2.906 3.182 1.00 0.00 H new ATOM 425 N LEU A 28 -6.544 -6.489 5.771 1.00 0.00 N ATOM 426 CA LEU A 28 -5.448 -6.945 6.616 1.00 0.00 C ATOM 427 C LEU A 28 -5.850 -8.218 7.355 1.00 0.00 C ATOM 428 O LEU A 28 -5.000 -8.991 7.797 1.00 0.00 O ATOM 429 CB LEU A 28 -5.063 -5.847 7.618 1.00 0.00 C ATOM 430 CG LEU A 28 -4.213 -6.309 8.806 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.885 -6.880 8.332 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.980 -5.161 9.773 1.00 0.00 C ATOM 0 H LEU A 28 -7.049 -5.683 6.139 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.585 -7.164 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.519 -5.067 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.976 -5.393 8.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.758 -7.097 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.299 -7.201 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.068 -7.733 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.335 -6.115 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.375 -5.508 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.460 -4.353 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.938 -4.798 10.144 1.00 0.00 H new ATOM 444 N GLU A 29 -7.156 -8.435 7.470 1.00 0.00 N ATOM 445 CA GLU A 29 -7.679 -9.609 8.151 1.00 0.00 C ATOM 446 C GLU A 29 -7.548 -10.845 7.264 1.00 0.00 C ATOM 447 O GLU A 29 -7.201 -11.928 7.735 1.00 0.00 O ATOM 448 CB GLU A 29 -9.143 -9.399 8.539 1.00 0.00 C ATOM 449 CG GLU A 29 -9.355 -8.276 9.543 1.00 0.00 C ATOM 450 CD GLU A 29 -8.499 -8.434 10.784 1.00 0.00 C ATOM 451 OE1 GLU A 29 -8.942 -9.123 11.727 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.385 -7.871 10.811 1.00 0.00 O ATOM 0 H GLU A 29 -7.872 -7.810 7.099 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.095 -9.763 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.721 -9.184 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.536 -10.326 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.127 -7.322 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.406 -8.246 9.832 1.00 0.00 H new ATOM 459 N SER A 30 -7.827 -10.667 5.976 1.00 0.00 N ATOM 460 CA SER A 30 -7.748 -11.760 5.012 1.00 0.00 C ATOM 461 C SER A 30 -6.312 -12.243 4.831 1.00 0.00 C ATOM 462 O SER A 30 -6.078 -13.327 4.299 1.00 0.00 O ATOM 463 CB SER A 30 -8.321 -11.318 3.665 1.00 0.00 C ATOM 464 OG SER A 30 -7.634 -10.184 3.167 1.00 0.00 O ATOM 0 H SER A 30 -8.111 -9.773 5.575 1.00 0.00 H new ATOM 0 HA SER A 30 -8.337 -12.590 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.247 -12.136 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.380 -11.086 3.775 1.00 0.00 H new ATOM 0 HG SER A 30 -7.131 -9.761 3.894 1.00 0.00 H new ATOM 470 N LEU A 31 -5.353 -11.434 5.271 1.00 0.00 N ATOM 471 CA LEU A 31 -3.943 -11.792 5.152 1.00 0.00 C ATOM 472 C LEU A 31 -3.609 -13.008 6.014 1.00 0.00 C ATOM 473 O LEU A 31 -2.512 -13.559 5.926 1.00 0.00 O ATOM 474 CB LEU A 31 -3.056 -10.610 5.548 1.00 0.00 C ATOM 475 CG LEU A 31 -3.024 -9.455 4.543 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.248 -8.275 5.106 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.416 -9.911 3.225 1.00 0.00 C ATOM 0 H LEU A 31 -5.525 -10.530 5.711 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.750 -12.047 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.398 -10.225 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.038 -10.972 5.694 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.049 -9.135 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.237 -7.465 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.725 -7.930 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.225 -8.582 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.402 -9.077 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.397 -10.260 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.013 -10.724 2.811 1.00 0.00 H new ATOM 489 N SER A 32 -4.563 -13.419 6.844 1.00 0.00 N ATOM 490 CA SER A 32 -4.374 -14.572 7.717 1.00 0.00 C ATOM 491 C SER A 32 -4.936 -15.836 7.072 1.00 0.00 C ATOM 492 O SER A 32 -5.022 -16.887 7.709 1.00 0.00 O ATOM 493 CB SER A 32 -5.053 -14.327 9.067 1.00 0.00 C ATOM 494 OG SER A 32 -4.802 -15.392 9.967 1.00 0.00 O ATOM 0 H SER A 32 -5.475 -12.970 6.930 1.00 0.00 H new ATOM 0 HA SER A 32 -3.305 -14.711 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.691 -13.392 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.128 -14.216 8.922 1.00 0.00 H new ATOM 0 HG SER A 32 -4.768 -16.237 9.472 1.00 0.00 H new ATOM 500 N ASN A 33 -5.314 -15.725 5.802 1.00 0.00 N ATOM 501 CA ASN A 33 -5.873 -16.853 5.062 1.00 0.00 C ATOM 502 C ASN A 33 -4.769 -17.775 4.544 1.00 0.00 C ATOM 503 O ASN A 33 -3.818 -17.328 3.903 1.00 0.00 O ATOM 504 CB ASN A 33 -6.743 -16.338 3.911 1.00 0.00 C ATOM 505 CG ASN A 33 -6.751 -17.261 2.710 1.00 0.00 C ATOM 506 OD1 ASN A 33 -5.973 -16.906 1.695 1.00 0.00 O flip ATOM 507 ND2 ASN A 33 -7.458 -18.268 2.688 1.00 0.00 N flip ATOM 0 H ASN A 33 -5.243 -14.863 5.262 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.495 -17.439 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.765 -16.207 4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.384 -15.356 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.040 -18.500 3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.462 -18.870 1.865 1.00 0.00 H new ATOM 514 N GLU A 34 -4.914 -19.069 4.828 1.00 0.00 N ATOM 515 CA GLU A 34 -3.934 -20.075 4.420 1.00 0.00 C ATOM 516 C GLU A 34 -3.745 -20.118 2.906 1.00 0.00 C ATOM 517 O GLU A 34 -2.679 -20.498 2.421 1.00 0.00 O ATOM 518 CB GLU A 34 -4.362 -21.455 4.921 1.00 0.00 C ATOM 519 CG GLU A 34 -5.772 -21.844 4.504 1.00 0.00 C ATOM 520 CD GLU A 34 -6.159 -23.230 4.982 1.00 0.00 C ATOM 521 OE1 GLU A 34 -6.444 -23.385 6.188 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.180 -24.161 4.149 1.00 0.00 O ATOM 0 H GLU A 34 -5.708 -19.448 5.344 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.979 -19.795 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.662 -22.202 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.296 -21.474 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.479 -21.116 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.850 -21.803 3.418 1.00 0.00 H new ATOM 529 N ASP A 35 -4.774 -19.731 2.161 1.00 0.00 N ATOM 530 CA ASP A 35 -4.699 -19.743 0.704 1.00 0.00 C ATOM 531 C ASP A 35 -3.868 -18.573 0.188 1.00 0.00 C ATOM 532 O ASP A 35 -3.610 -17.613 0.916 1.00 0.00 O ATOM 533 CB ASP A 35 -6.106 -19.709 0.098 1.00 0.00 C ATOM 534 CG ASP A 35 -6.091 -19.814 -1.414 1.00 0.00 C ATOM 535 OD1 ASP A 35 -5.727 -20.891 -1.931 1.00 0.00 O ATOM 536 OD2 ASP A 35 -6.438 -18.817 -2.080 1.00 0.00 O ATOM 0 H ASP A 35 -5.665 -19.407 2.538 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.207 -20.666 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.695 -20.528 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.601 -18.783 0.389 1.00 0.00 H new ATOM 541 N TRP A 36 -3.436 -18.664 -1.066 1.00 0.00 N ATOM 542 CA TRP A 36 -2.629 -17.611 -1.674 1.00 0.00 C ATOM 543 C TRP A 36 -3.432 -16.823 -2.705 1.00 0.00 C ATOM 544 O TRP A 36 -3.209 -15.628 -2.893 1.00 0.00 O ATOM 545 CB TRP A 36 -1.381 -18.210 -2.326 1.00 0.00 C ATOM 546 CG TRP A 36 -1.671 -19.388 -3.204 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.184 -19.364 -4.468 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.465 -20.769 -2.881 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.310 -20.644 -4.951 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.875 -21.522 -3.996 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.972 -21.441 -1.757 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -1.808 -22.912 -4.022 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.907 -22.822 -1.785 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.323 -23.543 -2.912 1.00 0.00 C ATOM 0 H TRP A 36 -3.631 -19.455 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.325 -16.924 -0.885 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.885 -17.440 -2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.683 -18.512 -1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.452 -18.469 -5.010 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.669 -20.898 -5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.649 -20.892 -0.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.128 -23.471 -4.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.529 -23.354 -0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.259 -24.621 -2.903 1.00 0.00 H new ATOM 565 N ARG A 37 -4.367 -17.498 -3.368 1.00 0.00 N ATOM 566 CA ARG A 37 -5.200 -16.859 -4.378 1.00 0.00 C ATOM 567 C ARG A 37 -5.996 -15.705 -3.777 1.00 0.00 C ATOM 568 O ARG A 37 -6.170 -14.663 -4.410 1.00 0.00 O ATOM 569 CB ARG A 37 -6.149 -17.884 -5.000 1.00 0.00 C ATOM 570 CG ARG A 37 -7.110 -17.282 -6.009 1.00 0.00 C ATOM 571 CD ARG A 37 -8.035 -18.334 -6.601 1.00 0.00 C ATOM 572 NE ARG A 37 -8.798 -19.034 -5.571 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.947 -19.662 -5.804 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.466 -19.672 -7.024 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.578 -20.282 -4.814 1.00 0.00 N ATOM 0 H ARG A 37 -4.566 -18.488 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.549 -16.457 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.562 -18.662 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.721 -18.366 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.704 -16.505 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.545 -16.802 -6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.722 -17.860 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.447 -19.055 -7.170 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.429 -19.042 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.984 -19.197 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.347 -20.155 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.182 -20.277 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.459 -20.763 -4.993 1.00 0.00 H new ATOM 589 N ILE A 38 -6.481 -15.899 -2.555 1.00 0.00 N ATOM 590 CA ILE A 38 -7.256 -14.873 -1.868 1.00 0.00 C ATOM 591 C ILE A 38 -6.339 -13.827 -1.246 1.00 0.00 C ATOM 592 O ILE A 38 -6.586 -12.625 -1.354 1.00 0.00 O ATOM 593 CB ILE A 38 -8.148 -15.486 -0.769 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.098 -16.522 -1.377 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.931 -14.396 -0.049 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.888 -17.302 -0.349 1.00 0.00 C ATOM 0 H ILE A 38 -6.351 -16.758 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.893 -14.397 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.511 -15.986 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.792 -16.016 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.520 -17.219 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.555 -14.846 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.237 -13.692 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.562 -13.869 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.538 -18.016 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.202 -17.838 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.494 -16.615 0.242 1.00 0.00 H new ATOM 608 N ARG A 39 -5.278 -14.294 -0.594 1.00 0.00 N ATOM 609 CA ARG A 39 -4.319 -13.401 0.044 1.00 0.00 C ATOM 610 C ARG A 39 -3.592 -12.555 -0.998 1.00 0.00 C ATOM 611 O ARG A 39 -3.023 -11.510 -0.680 1.00 0.00 O ATOM 612 CB ARG A 39 -3.308 -14.208 0.866 1.00 0.00 C ATOM 613 CG ARG A 39 -2.321 -13.347 1.636 1.00 0.00 C ATOM 614 CD ARG A 39 -1.291 -14.194 2.367 1.00 0.00 C ATOM 615 NE ARG A 39 -1.875 -14.928 3.488 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.163 -15.665 4.334 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.149 -15.782 4.176 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.763 -16.288 5.340 1.00 0.00 N ATOM 0 H ARG A 39 -5.062 -15.286 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.865 -12.733 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.848 -14.843 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.756 -14.870 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.814 -12.670 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.860 -12.728 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.841 -14.899 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.489 -13.553 2.733 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.884 -14.871 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.614 -15.305 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.693 -16.348 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.772 -16.202 5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.216 -16.853 5.989 1.00 0.00 H new ATOM 632 N GLY A 40 -3.620 -13.014 -2.247 1.00 0.00 N ATOM 633 CA GLY A 40 -2.964 -12.293 -3.322 1.00 0.00 C ATOM 634 C GLY A 40 -3.544 -10.907 -3.531 1.00 0.00 C ATOM 635 O GLY A 40 -2.866 -9.908 -3.303 1.00 0.00 O ATOM 0 H GLY A 40 -4.087 -13.875 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.900 -12.209 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.054 -12.864 -4.246 1.00 0.00 H new ATOM 639 N ALA A 41 -4.799 -10.853 -3.971 1.00 0.00 N ATOM 640 CA ALA A 41 -5.482 -9.586 -4.210 1.00 0.00 C ATOM 641 C ALA A 41 -5.292 -8.628 -3.040 1.00 0.00 C ATOM 642 O ALA A 41 -5.178 -7.418 -3.229 1.00 0.00 O ATOM 643 CB ALA A 41 -6.962 -9.826 -4.463 1.00 0.00 C ATOM 0 H ALA A 41 -5.365 -11.678 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.042 -9.126 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.460 -8.873 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.083 -10.466 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.406 -10.311 -3.594 1.00 0.00 H new ATOM 649 N ALA A 42 -5.262 -9.179 -1.830 1.00 0.00 N ATOM 650 CA ALA A 42 -5.078 -8.373 -0.631 1.00 0.00 C ATOM 651 C ALA A 42 -3.771 -7.594 -0.706 1.00 0.00 C ATOM 652 O ALA A 42 -3.740 -6.385 -0.477 1.00 0.00 O ATOM 653 CB ALA A 42 -5.098 -9.256 0.608 1.00 0.00 C ATOM 0 H ALA A 42 -5.363 -10.179 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.900 -7.661 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.959 -8.640 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.056 -9.773 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.293 -9.989 0.546 1.00 0.00 H new ATOM 659 N ALA A 43 -2.694 -8.298 -1.034 1.00 0.00 N ATOM 660 CA ALA A 43 -1.377 -7.686 -1.156 1.00 0.00 C ATOM 661 C ALA A 43 -1.327 -6.744 -2.354 1.00 0.00 C ATOM 662 O ALA A 43 -0.657 -5.713 -2.326 1.00 0.00 O ATOM 663 CB ALA A 43 -0.321 -8.766 -1.306 1.00 0.00 C ATOM 0 H ALA A 43 -2.708 -9.301 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.180 -7.107 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.662 -8.304 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.337 -9.415 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.528 -9.356 -2.199 1.00 0.00 H new ATOM 669 N TRP A 44 -2.048 -7.117 -3.405 1.00 0.00 N ATOM 670 CA TRP A 44 -2.096 -6.337 -4.637 1.00 0.00 C ATOM 671 C TRP A 44 -2.796 -4.992 -4.437 1.00 0.00 C ATOM 672 O TRP A 44 -2.506 -4.025 -5.142 1.00 0.00 O ATOM 673 CB TRP A 44 -2.808 -7.143 -5.726 1.00 0.00 C ATOM 674 CG TRP A 44 -1.914 -8.122 -6.422 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.261 -9.180 -5.857 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.575 -8.139 -7.815 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.531 -9.848 -6.811 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.710 -9.230 -8.020 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.918 -7.338 -8.908 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.184 -9.539 -9.272 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.397 -7.646 -10.151 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.538 -8.739 -10.324 1.00 0.00 C ATOM 0 H TRP A 44 -2.614 -7.965 -3.428 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.070 -6.127 -4.941 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.646 -7.680 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.225 -6.456 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.311 -9.452 -4.813 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.050 -10.670 -6.645 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.579 -6.493 -8.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.480 -10.380 -9.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.656 -7.034 -11.002 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.147 -8.954 -11.308 1.00 0.00 H new ATOM 693 N ILE A 45 -3.713 -4.933 -3.476 1.00 0.00 N ATOM 694 CA ILE A 45 -4.456 -3.706 -3.206 1.00 0.00 C ATOM 695 C ILE A 45 -3.870 -2.943 -2.021 1.00 0.00 C ATOM 696 O ILE A 45 -3.966 -1.717 -1.951 1.00 0.00 O ATOM 697 CB ILE A 45 -5.944 -4.003 -2.932 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.555 -4.773 -4.106 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.710 -2.709 -2.689 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.916 -5.362 -3.803 1.00 0.00 C ATOM 0 H ILE A 45 -3.959 -5.718 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.372 -3.087 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.016 -4.619 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.640 -4.105 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.877 -5.576 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.758 -2.937 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.288 -2.193 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.633 -2.070 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.286 -5.893 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.834 -6.056 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.609 -4.562 -3.544 1.00 0.00 H new ATOM 712 N ILE A 46 -3.259 -3.673 -1.094 1.00 0.00 N ATOM 713 CA ILE A 46 -2.672 -3.062 0.092 1.00 0.00 C ATOM 714 C ILE A 46 -1.573 -2.069 -0.285 1.00 0.00 C ATOM 715 O ILE A 46 -1.326 -1.102 0.434 1.00 0.00 O ATOM 716 CB ILE A 46 -2.114 -4.134 1.060 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.440 -3.754 2.503 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.613 -4.312 0.882 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.719 -4.946 3.394 1.00 0.00 C ATOM 0 H ILE A 46 -3.158 -4.687 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.467 -2.519 0.603 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.590 -5.086 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.606 -3.187 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.308 -3.095 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.252 -5.071 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.402 -4.625 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.108 -3.367 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.943 -4.601 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.572 -5.501 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.844 -5.595 3.418 1.00 0.00 H new ATOM 731 N GLY A 47 -0.920 -2.312 -1.419 1.00 0.00 N ATOM 732 CA GLY A 47 0.136 -1.424 -1.868 1.00 0.00 C ATOM 733 C GLY A 47 -0.396 -0.076 -2.308 1.00 0.00 C ATOM 734 O GLY A 47 0.326 0.921 -2.284 1.00 0.00 O ATOM 0 H GLY A 47 -1.104 -3.106 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.856 -1.283 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.671 -1.889 -2.696 1.00 0.00 H new ATOM 738 N ASN A 48 -1.662 -0.044 -2.711 1.00 0.00 N ATOM 739 CA ASN A 48 -2.289 1.195 -3.154 1.00 0.00 C ATOM 740 C ASN A 48 -2.376 2.189 -2.003 1.00 0.00 C ATOM 741 O ASN A 48 -2.287 3.399 -2.208 1.00 0.00 O ATOM 742 CB ASN A 48 -3.685 0.918 -3.710 1.00 0.00 C ATOM 743 CG ASN A 48 -3.692 -0.189 -4.749 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.683 -0.905 -4.901 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.585 -0.338 -5.470 1.00 0.00 N ATOM 0 H ASN A 48 -2.273 -0.861 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.675 1.626 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.351 0.646 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.082 1.831 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.534 -1.067 -6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.787 0.277 -5.312 1.00 0.00 H new ATOM 752 N PHE A 49 -2.554 1.670 -0.791 1.00 0.00 N ATOM 753 CA PHE A 49 -2.644 2.513 0.391 1.00 0.00 C ATOM 754 C PHE A 49 -1.269 2.687 1.027 1.00 0.00 C ATOM 755 O PHE A 49 -0.718 1.751 1.605 1.00 0.00 O ATOM 756 CB PHE A 49 -3.624 1.912 1.409 1.00 0.00 C ATOM 757 CG PHE A 49 -4.984 1.603 0.840 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.645 2.523 0.038 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.604 0.392 1.111 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.892 2.240 -0.482 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.852 0.105 0.593 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.497 1.029 -0.205 1.00 0.00 C ATOM 0 H PHE A 49 -2.638 0.671 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.015 3.491 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.194 0.996 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.739 2.606 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.178 3.472 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.105 -0.335 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.395 2.965 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.323 -0.842 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.472 0.806 -0.612 1.00 0.00 H new ATOM 772 N GLN A 50 -0.714 3.887 0.906 1.00 0.00 N ATOM 773 CA GLN A 50 0.600 4.190 1.471 1.00 0.00 C ATOM 774 C GLN A 50 0.513 4.391 2.979 1.00 0.00 C ATOM 775 O GLN A 50 1.281 5.157 3.563 1.00 0.00 O ATOM 776 CB GLN A 50 1.177 5.435 0.808 1.00 0.00 C ATOM 777 CG GLN A 50 1.246 5.319 -0.702 1.00 0.00 C ATOM 778 CD GLN A 50 -0.034 5.761 -1.387 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.719 6.735 -0.798 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 -0.398 5.237 -2.440 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.153 4.669 0.421 1.00 0.00 H new ATOM 0 HA GLN A 50 1.259 3.343 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.567 6.298 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.177 5.619 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.076 5.922 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.459 4.285 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.159 4.492 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.256 5.548 -2.894 1.00 0.00 H new ATOM 789 N ASP A 51 -0.422 3.687 3.597 1.00 0.00 N ATOM 790 CA ASP A 51 -0.634 3.768 5.036 1.00 0.00 C ATOM 791 C ASP A 51 0.298 2.812 5.779 1.00 0.00 C ATOM 792 O ASP A 51 0.819 1.863 5.194 1.00 0.00 O ATOM 793 CB ASP A 51 -2.094 3.447 5.359 1.00 0.00 C ATOM 794 CG ASP A 51 -2.426 3.662 6.822 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.769 4.805 7.191 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.341 2.690 7.599 1.00 0.00 O ATOM 0 H ASP A 51 -1.054 3.045 3.119 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.407 4.782 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.744 4.072 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.303 2.411 5.091 1.00 0.00 H new ATOM 801 N GLU A 52 0.500 3.066 7.070 1.00 0.00 N ATOM 802 CA GLU A 52 1.381 2.238 7.895 1.00 0.00 C ATOM 803 C GLU A 52 0.871 0.800 8.004 1.00 0.00 C ATOM 804 O GLU A 52 1.654 -0.149 7.963 1.00 0.00 O ATOM 805 CB GLU A 52 1.521 2.846 9.293 1.00 0.00 C ATOM 806 CG GLU A 52 0.199 3.011 10.024 1.00 0.00 C ATOM 807 CD GLU A 52 0.361 3.650 11.389 1.00 0.00 C ATOM 808 OE1 GLU A 52 0.322 4.896 11.470 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.527 2.905 12.379 1.00 0.00 O ATOM 0 H GLU A 52 0.065 3.841 7.570 1.00 0.00 H new ATOM 0 HA GLU A 52 2.356 2.212 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.179 2.215 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.003 3.820 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.472 3.621 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.273 2.035 10.138 1.00 0.00 H new ATOM 816 N ARG A 53 -0.441 0.648 8.146 1.00 0.00 N ATOM 817 CA ARG A 53 -1.058 -0.672 8.265 1.00 0.00 C ATOM 818 C ARG A 53 -0.888 -1.477 6.979 1.00 0.00 C ATOM 819 O ARG A 53 -1.128 -2.685 6.954 1.00 0.00 O ATOM 820 CB ARG A 53 -2.548 -0.523 8.593 1.00 0.00 C ATOM 821 CG ARG A 53 -3.267 -1.839 8.841 1.00 0.00 C ATOM 822 CD ARG A 53 -4.677 -1.610 9.360 1.00 0.00 C ATOM 823 NE ARG A 53 -4.687 -0.826 10.592 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.786 -0.295 11.120 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.959 -0.458 10.524 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.713 0.402 12.244 1.00 0.00 N ATOM 0 H ARG A 53 -1.102 1.424 8.182 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.560 -1.209 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.653 0.107 9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.039 -0.003 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.307 -2.414 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.704 -2.433 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.264 -1.096 8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.158 -2.572 9.539 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.801 -0.677 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.021 -0.992 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.800 -0.049 10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.813 0.532 12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.557 0.809 12.648 1.00 0.00 H new ATOM 840 N ALA A 54 -0.464 -0.804 5.915 1.00 0.00 N ATOM 841 CA ALA A 54 -0.280 -1.454 4.626 1.00 0.00 C ATOM 842 C ALA A 54 1.196 -1.647 4.315 1.00 0.00 C ATOM 843 O ALA A 54 1.558 -2.018 3.202 1.00 0.00 O ATOM 844 CB ALA A 54 -0.947 -0.643 3.529 1.00 0.00 C ATOM 0 H ALA A 54 -0.242 0.191 5.921 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.747 -2.438 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.802 -1.140 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.014 -0.559 3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.505 0.353 3.492 1.00 0.00 H new ATOM 850 N VAL A 55 2.043 -1.382 5.300 1.00 0.00 N ATOM 851 CA VAL A 55 3.484 -1.510 5.128 1.00 0.00 C ATOM 852 C VAL A 55 3.993 -2.893 5.531 1.00 0.00 C ATOM 853 O VAL A 55 4.842 -3.470 4.852 1.00 0.00 O ATOM 854 CB VAL A 55 4.233 -0.443 5.944 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.723 -0.509 5.671 1.00 0.00 C ATOM 856 CG2 VAL A 55 3.693 0.943 5.633 1.00 0.00 C ATOM 0 H VAL A 55 1.756 -1.076 6.230 1.00 0.00 H new ATOM 0 HA VAL A 55 3.681 -1.366 4.066 1.00 0.00 H new ATOM 0 HB VAL A 55 4.071 -0.645 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.235 0.254 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.100 -1.493 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.907 -0.335 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.235 1.685 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.823 1.154 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.633 0.985 5.884 1.00 0.00 H new ATOM 866 N GLU A 56 3.474 -3.418 6.638 1.00 0.00 N ATOM 867 CA GLU A 56 3.897 -4.726 7.134 1.00 0.00 C ATOM 868 C GLU A 56 3.725 -5.819 6.077 1.00 0.00 C ATOM 869 O GLU A 56 4.650 -6.597 5.843 1.00 0.00 O ATOM 870 CB GLU A 56 3.129 -5.109 8.398 1.00 0.00 C ATOM 871 CG GLU A 56 3.622 -6.403 9.024 1.00 0.00 C ATOM 872 CD GLU A 56 4.870 -6.205 9.862 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.738 -5.830 11.046 1.00 0.00 O ATOM 874 OE2 GLU A 56 5.981 -6.424 9.335 1.00 0.00 O ATOM 0 H GLU A 56 2.762 -2.960 7.207 1.00 0.00 H new ATOM 0 HA GLU A 56 4.958 -4.644 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.215 -4.303 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.071 -5.209 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.833 -6.825 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.828 -7.128 8.237 1.00 0.00 H new ATOM 881 N PRO A 57 2.540 -5.909 5.430 1.00 0.00 N ATOM 882 CA PRO A 57 2.285 -6.924 4.404 1.00 0.00 C ATOM 883 C PRO A 57 3.452 -7.065 3.437 1.00 0.00 C ATOM 884 O PRO A 57 3.968 -8.159 3.230 1.00 0.00 O ATOM 885 CB PRO A 57 1.057 -6.379 3.681 1.00 0.00 C ATOM 886 CG PRO A 57 0.318 -5.620 4.726 1.00 0.00 C ATOM 887 CD PRO A 57 1.365 -5.035 5.636 1.00 0.00 C ATOM 0 HA PRO A 57 2.144 -7.918 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.340 -5.736 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.448 -7.184 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.293 -4.835 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.357 -6.274 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.586 -4.000 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.039 -5.041 6.676 1.00 0.00 H new ATOM 895 N LEU A 58 3.868 -5.943 2.866 1.00 0.00 N ATOM 896 CA LEU A 58 4.973 -5.913 1.918 1.00 0.00 C ATOM 897 C LEU A 58 6.213 -6.614 2.467 1.00 0.00 C ATOM 898 O LEU A 58 6.901 -7.331 1.742 1.00 0.00 O ATOM 899 CB LEU A 58 5.309 -4.461 1.570 1.00 0.00 C ATOM 900 CG LEU A 58 4.283 -3.743 0.686 1.00 0.00 C ATOM 901 CD1 LEU A 58 2.916 -3.706 1.345 1.00 0.00 C ATOM 902 CD2 LEU A 58 4.752 -2.333 0.365 1.00 0.00 C ATOM 0 H LEU A 58 3.450 -5.030 3.046 1.00 0.00 H new ATOM 0 HA LEU A 58 4.661 -6.449 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.421 -3.899 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.275 -4.440 1.066 1.00 0.00 H new ATOM 0 HG LEU A 58 4.193 -4.305 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.211 -3.190 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.569 -4.724 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.984 -3.177 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.012 -1.838 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.876 -1.771 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.705 -2.378 -0.163 1.00 0.00 H new ATOM 914 N ILE A 59 6.492 -6.410 3.749 1.00 0.00 N ATOM 915 CA ILE A 59 7.663 -7.009 4.380 1.00 0.00 C ATOM 916 C ILE A 59 7.638 -8.537 4.314 1.00 0.00 C ATOM 917 O ILE A 59 8.526 -9.155 3.728 1.00 0.00 O ATOM 918 CB ILE A 59 7.780 -6.568 5.853 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.942 -5.045 5.937 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.944 -7.274 6.537 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.242 -4.531 5.352 1.00 0.00 C ATOM 0 H ILE A 59 5.924 -5.835 4.372 1.00 0.00 H new ATOM 0 HA ILE A 59 8.530 -6.656 3.821 1.00 0.00 H new ATOM 0 HB ILE A 59 6.865 -6.849 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.109 -4.572 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.880 -4.740 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.008 -6.948 7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.786 -8.352 6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.872 -7.028 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.281 -3.446 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.082 -4.974 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.299 -4.803 4.298 1.00 0.00 H new ATOM 933 N LYS A 60 6.618 -9.136 4.914 1.00 0.00 N ATOM 934 CA LYS A 60 6.479 -10.592 4.942 1.00 0.00 C ATOM 935 C LYS A 60 6.140 -11.168 3.567 1.00 0.00 C ATOM 936 O LYS A 60 6.392 -12.342 3.299 1.00 0.00 O ATOM 937 CB LYS A 60 5.403 -10.986 5.958 1.00 0.00 C ATOM 938 CG LYS A 60 5.233 -12.488 6.131 1.00 0.00 C ATOM 939 CD LYS A 60 4.109 -13.028 5.261 1.00 0.00 C ATOM 940 CE LYS A 60 3.913 -14.520 5.474 1.00 0.00 C ATOM 941 NZ LYS A 60 5.136 -15.295 5.126 1.00 0.00 N ATOM 0 H LYS A 60 5.869 -8.635 5.392 1.00 0.00 H new ATOM 0 HA LYS A 60 7.441 -11.011 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.651 -10.546 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.450 -10.557 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.165 -12.992 5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.025 -12.713 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.183 -12.501 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.333 -12.835 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.649 -14.707 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.078 -14.867 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.915 -15.969 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.880 -14.643 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.468 -15.814 5.964 1.00 0.00 H new ATOM 955 N LEU A 61 5.581 -10.335 2.697 1.00 0.00 N ATOM 956 CA LEU A 61 5.167 -10.768 1.362 1.00 0.00 C ATOM 957 C LEU A 61 6.335 -10.936 0.394 1.00 0.00 C ATOM 958 O LEU A 61 6.403 -11.925 -0.336 1.00 0.00 O ATOM 959 CB LEU A 61 4.171 -9.766 0.788 1.00 0.00 C ATOM 960 CG LEU A 61 2.695 -10.062 1.063 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.501 -10.739 2.415 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.883 -8.779 0.996 1.00 0.00 C ATOM 0 H LEU A 61 5.402 -9.350 2.891 1.00 0.00 H new ATOM 0 HA LEU A 61 4.707 -11.750 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.405 -8.780 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.317 -9.715 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 61 2.344 -10.750 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.441 -10.934 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.050 -11.681 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.874 -10.087 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.834 -9.001 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.251 -8.076 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.980 -8.338 0.004 1.00 0.00 H new ATOM 974 N LEU A 62 7.246 -9.973 0.385 1.00 0.00 N ATOM 975 CA LEU A 62 8.392 -10.017 -0.512 1.00 0.00 C ATOM 976 C LEU A 62 9.261 -11.227 -0.214 1.00 0.00 C ATOM 977 O LEU A 62 10.187 -11.545 -0.961 1.00 0.00 O ATOM 978 CB LEU A 62 9.201 -8.730 -0.379 1.00 0.00 C ATOM 979 CG LEU A 62 8.448 -7.460 -0.768 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.139 -6.234 -0.194 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.338 -7.350 -2.281 1.00 0.00 C ATOM 0 H LEU A 62 7.214 -9.152 0.989 1.00 0.00 H new ATOM 0 HA LEU A 62 8.033 -10.105 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.539 -8.634 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.093 -8.812 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 62 7.442 -7.514 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.589 -5.338 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.169 -6.309 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.156 -6.175 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.799 -6.439 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.336 -7.318 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.800 -8.214 -2.670 1.00 0.00 H new ATOM 993 N GLU A 63 8.951 -11.894 0.886 1.00 0.00 N ATOM 994 CA GLU A 63 9.688 -13.071 1.305 1.00 0.00 C ATOM 995 C GLU A 63 8.738 -14.240 1.557 1.00 0.00 C ATOM 996 O GLU A 63 9.170 -15.347 1.883 1.00 0.00 O ATOM 997 CB GLU A 63 10.478 -12.745 2.569 1.00 0.00 C ATOM 998 CG GLU A 63 9.624 -12.175 3.689 1.00 0.00 C ATOM 999 CD GLU A 63 10.435 -11.822 4.921 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.631 -12.711 5.777 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.876 -10.659 5.029 1.00 0.00 O ATOM 0 H GLU A 63 8.186 -11.635 1.509 1.00 0.00 H new ATOM 0 HA GLU A 63 10.377 -13.363 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.970 -13.651 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.264 -12.031 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.109 -11.284 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.856 -12.900 3.960 1.00 0.00 H new ATOM 1008 N ASP A 64 7.441 -13.979 1.409 1.00 0.00 N ATOM 1009 CA ASP A 64 6.417 -14.998 1.622 1.00 0.00 C ATOM 1010 C ASP A 64 6.583 -16.159 0.656 1.00 0.00 C ATOM 1011 O ASP A 64 6.304 -17.312 0.989 1.00 0.00 O ATOM 1012 CB ASP A 64 5.022 -14.388 1.471 1.00 0.00 C ATOM 1013 CG ASP A 64 3.921 -15.343 1.892 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.220 -16.313 2.620 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.759 -15.119 1.495 1.00 0.00 O ATOM 0 H ASP A 64 7.074 -13.066 1.141 1.00 0.00 H new ATOM 0 HA ASP A 64 6.534 -15.381 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.959 -13.480 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.867 -14.096 0.432 1.00 0.00 H new ATOM 1020 N ASP A 65 7.037 -15.833 -0.542 1.00 0.00 N ATOM 1021 CA ASP A 65 7.246 -16.825 -1.595 1.00 0.00 C ATOM 1022 C ASP A 65 5.941 -17.538 -1.934 1.00 0.00 C ATOM 1023 O ASP A 65 5.948 -18.672 -2.416 1.00 0.00 O ATOM 1024 CB ASP A 65 8.310 -17.839 -1.175 1.00 0.00 C ATOM 1025 CG ASP A 65 9.713 -17.266 -1.246 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.134 -16.605 -0.274 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.390 -17.478 -2.274 1.00 0.00 O ATOM 0 H ASP A 65 7.272 -14.879 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 65 7.595 -16.304 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.108 -18.174 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.246 -18.717 -1.818 1.00 0.00 H new ATOM 1032 N SER A 66 4.822 -16.865 -1.685 1.00 0.00 N ATOM 1033 CA SER A 66 3.511 -17.432 -1.961 1.00 0.00 C ATOM 1034 C SER A 66 3.086 -17.178 -3.408 1.00 0.00 C ATOM 1035 O SER A 66 1.946 -17.446 -3.784 1.00 0.00 O ATOM 1036 CB SER A 66 2.482 -16.846 -0.997 1.00 0.00 C ATOM 1037 OG SER A 66 2.385 -17.625 0.183 1.00 0.00 O ATOM 0 H SER A 66 4.799 -15.924 -1.292 1.00 0.00 H new ATOM 0 HA SER A 66 3.569 -18.511 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.761 -15.824 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.509 -16.797 -1.485 1.00 0.00 H new ATOM 0 HG SER A 66 1.832 -17.154 0.841 1.00 0.00 H new ATOM 1043 N GLY A 67 4.012 -16.663 -4.216 1.00 0.00 N ATOM 1044 CA GLY A 67 3.710 -16.383 -5.611 1.00 0.00 C ATOM 1045 C GLY A 67 2.837 -15.154 -5.786 1.00 0.00 C ATOM 1046 O GLY A 67 3.340 -14.034 -5.853 1.00 0.00 O ATOM 0 H GLY A 67 4.964 -16.435 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.642 -16.243 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.208 -17.245 -6.050 1.00 0.00 H new ATOM 1050 N PHE A 68 1.527 -15.366 -5.869 1.00 0.00 N ATOM 1051 CA PHE A 68 0.578 -14.269 -6.036 1.00 0.00 C ATOM 1052 C PHE A 68 0.733 -13.252 -4.909 1.00 0.00 C ATOM 1053 O PHE A 68 0.708 -12.042 -5.139 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.854 -14.813 -6.046 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.823 -14.002 -6.866 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.933 -12.627 -6.699 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.633 -14.624 -7.803 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.832 -11.895 -7.453 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.533 -13.895 -8.558 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.633 -12.530 -8.382 1.00 0.00 C ATOM 0 H PHE A 68 1.097 -16.290 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 68 0.784 -13.775 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.839 -15.834 -6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.218 -14.862 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.310 -12.125 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.560 -15.692 -7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.908 -10.826 -7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.157 -14.393 -9.285 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.337 -11.959 -8.970 1.00 0.00 H new ATOM 1070 N VAL A 69 0.899 -13.758 -3.692 1.00 0.00 N ATOM 1071 CA VAL A 69 1.053 -12.908 -2.518 1.00 0.00 C ATOM 1072 C VAL A 69 2.410 -12.210 -2.500 1.00 0.00 C ATOM 1073 O VAL A 69 2.531 -11.082 -2.023 1.00 0.00 O ATOM 1074 CB VAL A 69 0.883 -13.720 -1.223 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.881 -12.808 -0.008 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.390 -14.550 -1.277 1.00 0.00 C ATOM 0 H VAL A 69 0.930 -14.758 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 69 0.272 -12.150 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 69 1.731 -14.399 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.759 -13.406 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.825 -12.265 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.057 -12.098 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.494 -15.118 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.250 -13.890 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.341 -15.238 -2.121 1.00 0.00 H new ATOM 1086 N ARG A 70 3.428 -12.885 -3.022 1.00 0.00 N ATOM 1087 CA ARG A 70 4.775 -12.323 -3.061 1.00 0.00 C ATOM 1088 C ARG A 70 4.879 -11.225 -4.114 1.00 0.00 C ATOM 1089 O ARG A 70 5.174 -10.072 -3.795 1.00 0.00 O ATOM 1090 CB ARG A 70 5.796 -13.419 -3.357 1.00 0.00 C ATOM 1091 CG ARG A 70 7.233 -12.991 -3.114 1.00 0.00 C ATOM 1092 CD ARG A 70 8.214 -13.985 -3.706 1.00 0.00 C ATOM 1093 NE ARG A 70 9.563 -13.801 -3.180 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.604 -14.541 -3.547 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.458 -15.499 -4.452 1.00 0.00 N ATOM 1096 NH2 ARG A 70 11.794 -14.320 -3.010 1.00 0.00 N ATOM 0 H ARG A 70 3.348 -13.819 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 70 4.986 -11.887 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.574 -14.288 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.689 -13.733 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.400 -12.007 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.410 -12.897 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.876 -14.999 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.230 -13.877 -4.791 1.00 0.00 H new ATOM 0 HE ARG A 70 9.715 -13.063 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.544 -15.671 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.260 -16.064 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.911 -13.582 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.594 -14.887 -3.291 1.00 0.00 H new ATOM 1110 N SER A 71 4.642 -11.597 -5.368 1.00 0.00 N ATOM 1111 CA SER A 71 4.706 -10.656 -6.480 1.00 0.00 C ATOM 1112 C SER A 71 3.857 -9.421 -6.200 1.00 0.00 C ATOM 1113 O SER A 71 4.165 -8.326 -6.673 1.00 0.00 O ATOM 1114 CB SER A 71 4.234 -11.328 -7.771 1.00 0.00 C ATOM 1115 OG SER A 71 5.007 -12.483 -8.056 1.00 0.00 O ATOM 0 H SER A 71 4.402 -12.550 -5.640 1.00 0.00 H new ATOM 0 HA SER A 71 5.743 -10.343 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.183 -11.603 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.307 -10.624 -8.600 1.00 0.00 H new ATOM 0 HG SER A 71 4.714 -13.222 -7.483 1.00 0.00 H new ATOM 1121 N GLY A 72 2.789 -9.606 -5.431 1.00 0.00 N ATOM 1122 CA GLY A 72 1.915 -8.498 -5.100 1.00 0.00 C ATOM 1123 C GLY A 72 2.648 -7.378 -4.392 1.00 0.00 C ATOM 1124 O GLY A 72 2.450 -6.205 -4.703 1.00 0.00 O ATOM 0 H GLY A 72 2.514 -10.503 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.461 -8.112 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.103 -8.855 -4.466 1.00 0.00 H new ATOM 1128 N ALA A 73 3.498 -7.741 -3.438 1.00 0.00 N ATOM 1129 CA ALA A 73 4.267 -6.757 -2.689 1.00 0.00 C ATOM 1130 C ALA A 73 5.364 -6.154 -3.555 1.00 0.00 C ATOM 1131 O ALA A 73 5.700 -4.978 -3.418 1.00 0.00 O ATOM 1132 CB ALA A 73 4.865 -7.388 -1.444 1.00 0.00 C ATOM 0 H ALA A 73 3.671 -8.709 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 73 3.592 -5.957 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.437 -6.639 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.065 -7.770 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.523 -8.208 -1.732 1.00 0.00 H new ATOM 1138 N ALA A 74 5.918 -6.970 -4.448 1.00 0.00 N ATOM 1139 CA ALA A 74 6.975 -6.519 -5.343 1.00 0.00 C ATOM 1140 C ALA A 74 6.539 -5.271 -6.100 1.00 0.00 C ATOM 1141 O ALA A 74 7.301 -4.313 -6.236 1.00 0.00 O ATOM 1142 CB ALA A 74 7.353 -7.625 -6.315 1.00 0.00 C ATOM 0 H ALA A 74 5.651 -7.947 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 74 7.851 -6.269 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.144 -7.273 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.705 -8.494 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.481 -7.903 -6.907 1.00 0.00 H new ATOM 1148 N ARG A 75 5.306 -5.294 -6.591 1.00 0.00 N ATOM 1149 CA ARG A 75 4.750 -4.165 -7.325 1.00 0.00 C ATOM 1150 C ARG A 75 4.203 -3.121 -6.358 1.00 0.00 C ATOM 1151 O ARG A 75 4.172 -1.930 -6.667 1.00 0.00 O ATOM 1152 CB ARG A 75 3.642 -4.638 -8.271 1.00 0.00 C ATOM 1153 CG ARG A 75 2.652 -5.592 -7.621 1.00 0.00 C ATOM 1154 CD ARG A 75 1.597 -6.068 -8.608 1.00 0.00 C ATOM 1155 NE ARG A 75 2.175 -6.391 -9.911 1.00 0.00 N ATOM 1156 CZ ARG A 75 2.745 -7.557 -10.199 1.00 0.00 C ATOM 1157 NH1 ARG A 75 2.815 -8.511 -9.279 1.00 0.00 N ATOM 1158 NH2 ARG A 75 3.249 -7.770 -11.407 1.00 0.00 N ATOM 0 H ARG A 75 4.670 -6.086 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 75 5.546 -3.712 -7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.102 -3.769 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.096 -5.130 -9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.187 -6.452 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.166 -5.096 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.094 -6.948 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.838 -5.295 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 75 2.139 -5.680 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.431 -8.351 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.253 -9.405 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.200 -7.039 -12.116 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.686 -8.665 -11.627 1.00 0.00 H new ATOM 1172 N SER A 76 3.778 -3.580 -5.183 1.00 0.00 N ATOM 1173 CA SER A 76 3.232 -2.692 -4.164 1.00 0.00 C ATOM 1174 C SER A 76 4.273 -1.680 -3.700 1.00 0.00 C ATOM 1175 O SER A 76 3.927 -0.634 -3.151 1.00 0.00 O ATOM 1176 CB SER A 76 2.722 -3.498 -2.969 1.00 0.00 C ATOM 1177 OG SER A 76 1.565 -4.241 -3.311 1.00 0.00 O ATOM 0 H SER A 76 3.802 -4.564 -4.914 1.00 0.00 H new ATOM 0 HA SER A 76 2.399 -2.148 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.503 -4.175 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.494 -2.825 -2.143 1.00 0.00 H new ATOM 0 HG SER A 76 1.743 -4.772 -4.115 1.00 0.00 H new ATOM 1183 N LEU A 77 5.549 -1.993 -3.916 1.00 0.00 N ATOM 1184 CA LEU A 77 6.623 -1.093 -3.508 1.00 0.00 C ATOM 1185 C LEU A 77 6.575 0.192 -4.318 1.00 0.00 C ATOM 1186 O LEU A 77 6.404 1.278 -3.765 1.00 0.00 O ATOM 1187 CB LEU A 77 7.989 -1.758 -3.685 1.00 0.00 C ATOM 1188 CG LEU A 77 8.203 -3.072 -2.927 1.00 0.00 C ATOM 1189 CD1 LEU A 77 9.675 -3.250 -2.621 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.389 -3.115 -1.642 1.00 0.00 C ATOM 0 H LEU A 77 5.861 -2.853 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 77 6.480 -0.859 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.144 -1.946 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.758 -1.052 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 77 7.861 -3.890 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.824 -4.185 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.240 -3.274 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.022 -2.418 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.566 -4.061 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.688 -2.291 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.329 -3.023 -1.879 1.00 0.00 H new ATOM 1202 N GLU A 78 6.730 0.062 -5.630 1.00 0.00 N ATOM 1203 CA GLU A 78 6.675 1.216 -6.515 1.00 0.00 C ATOM 1204 C GLU A 78 5.304 1.873 -6.420 1.00 0.00 C ATOM 1205 O GLU A 78 5.142 3.053 -6.734 1.00 0.00 O ATOM 1206 CB GLU A 78 6.965 0.805 -7.960 1.00 0.00 C ATOM 1207 CG GLU A 78 7.083 1.985 -8.910 1.00 0.00 C ATOM 1208 CD GLU A 78 7.439 1.565 -10.323 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.623 1.253 -10.568 1.00 0.00 O ATOM 1210 OE2 GLU A 78 6.534 1.548 -11.183 1.00 0.00 O ATOM 0 H GLU A 78 6.894 -0.827 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 78 7.437 1.930 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.891 0.231 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.171 0.145 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.139 2.531 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.843 2.672 -8.537 1.00 0.00 H new ATOM 1217 N GLN A 79 4.320 1.093 -5.979 1.00 0.00 N ATOM 1218 CA GLN A 79 2.958 1.589 -5.822 1.00 0.00 C ATOM 1219 C GLN A 79 2.908 2.649 -4.730 1.00 0.00 C ATOM 1220 O GLN A 79 2.185 3.640 -4.841 1.00 0.00 O ATOM 1221 CB GLN A 79 2.009 0.440 -5.472 1.00 0.00 C ATOM 1222 CG GLN A 79 1.020 0.099 -6.578 1.00 0.00 C ATOM 1223 CD GLN A 79 1.207 -1.306 -7.118 1.00 0.00 C ATOM 1224 OE1 GLN A 79 1.944 -1.520 -8.080 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.538 -2.274 -6.500 1.00 0.00 N ATOM 0 H GLN A 79 4.442 0.113 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 79 2.641 2.033 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.598 -0.447 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.455 0.701 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.004 0.205 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.131 0.815 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.062 -2.052 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.625 -3.239 -6.820 1.00 0.00 H new ATOM 1234 N ILE A 80 3.686 2.429 -3.675 1.00 0.00 N ATOM 1235 CA ILE A 80 3.743 3.359 -2.556 1.00 0.00 C ATOM 1236 C ILE A 80 4.787 4.446 -2.798 1.00 0.00 C ATOM 1237 O ILE A 80 4.459 5.632 -2.854 1.00 0.00 O ATOM 1238 CB ILE A 80 4.066 2.621 -1.238 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.940 1.641 -0.890 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.278 3.620 -0.108 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.205 0.823 0.356 1.00 0.00 C ATOM 0 H ILE A 80 4.287 1.611 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 80 2.761 3.824 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 80 4.988 2.055 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.013 2.199 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.786 0.965 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.505 3.084 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.108 4.280 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.373 4.211 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.364 0.153 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.113 0.236 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.328 1.490 1.209 1.00 0.00 H new ATOM 1253 N GLY A 81 6.043 4.033 -2.948 1.00 0.00 N ATOM 1254 CA GLY A 81 7.119 4.980 -3.190 1.00 0.00 C ATOM 1255 C GLY A 81 7.379 5.892 -2.005 1.00 0.00 C ATOM 1256 O GLY A 81 6.467 6.557 -1.513 1.00 0.00 O ATOM 0 H GLY A 81 6.336 3.057 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.031 4.433 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.874 5.586 -4.062 1.00 0.00 H new ATOM 1260 N GLY A 82 8.627 5.924 -1.547 1.00 0.00 N ATOM 1261 CA GLY A 82 8.981 6.769 -0.420 1.00 0.00 C ATOM 1262 C GLY A 82 10.074 6.174 0.446 1.00 0.00 C ATOM 1263 O GLY A 82 10.647 5.136 0.113 1.00 0.00 O ATOM 0 H GLY A 82 9.398 5.381 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.307 7.741 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.095 6.941 0.191 1.00 0.00 H new ATOM 1267 N GLU A 83 10.361 6.839 1.562 1.00 0.00 N ATOM 1268 CA GLU A 83 11.392 6.384 2.489 1.00 0.00 C ATOM 1269 C GLU A 83 10.936 5.144 3.252 1.00 0.00 C ATOM 1270 O GLU A 83 11.753 4.383 3.768 1.00 0.00 O ATOM 1271 CB GLU A 83 11.745 7.500 3.475 1.00 0.00 C ATOM 1272 CG GLU A 83 12.918 7.164 4.383 1.00 0.00 C ATOM 1273 CD GLU A 83 13.234 8.278 5.361 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.640 8.288 6.461 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.072 9.140 5.027 1.00 0.00 O ATOM 0 H GLU A 83 9.891 7.699 1.847 1.00 0.00 H new ATOM 0 HA GLU A 83 12.277 6.123 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.977 8.407 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.872 7.719 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.695 6.252 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.798 6.960 3.773 1.00 0.00 H new ATOM 1282 N ARG A 84 9.627 4.949 3.329 1.00 0.00 N ATOM 1283 CA ARG A 84 9.067 3.803 4.031 1.00 0.00 C ATOM 1284 C ARG A 84 9.322 2.514 3.257 1.00 0.00 C ATOM 1285 O ARG A 84 9.750 1.511 3.827 1.00 0.00 O ATOM 1286 CB ARG A 84 7.562 3.994 4.279 1.00 0.00 C ATOM 1287 CG ARG A 84 6.721 4.133 3.014 1.00 0.00 C ATOM 1288 CD ARG A 84 6.680 5.568 2.508 1.00 0.00 C ATOM 1289 NE ARG A 84 6.391 6.519 3.579 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.243 7.826 3.388 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.359 8.338 2.169 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.980 8.624 4.414 1.00 0.00 N ATOM 0 H ARG A 84 8.933 5.570 2.914 1.00 0.00 H new ATOM 0 HA ARG A 84 9.565 3.726 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.192 3.145 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.419 4.882 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.127 3.486 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.706 3.791 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.637 5.818 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.921 5.656 1.730 1.00 0.00 H new ATOM 0 HE ARG A 84 6.297 6.159 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.562 7.728 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.245 9.341 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.891 8.235 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.867 9.627 4.264 1.00 0.00 H new ATOM 1306 N VAL A 85 9.059 2.549 1.957 1.00 0.00 N ATOM 1307 CA VAL A 85 9.261 1.388 1.105 1.00 0.00 C ATOM 1308 C VAL A 85 10.742 1.095 0.905 1.00 0.00 C ATOM 1309 O VAL A 85 11.128 -0.047 0.652 1.00 0.00 O ATOM 1310 CB VAL A 85 8.608 1.586 -0.270 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.578 0.276 -1.039 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.210 2.155 -0.117 1.00 0.00 C ATOM 0 H VAL A 85 8.704 3.372 1.470 1.00 0.00 H new ATOM 0 HA VAL A 85 8.792 0.544 1.612 1.00 0.00 H new ATOM 0 HB VAL A 85 9.205 2.299 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.112 0.435 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.596 -0.087 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.005 -0.462 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.762 2.289 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.600 1.468 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.263 3.118 0.392 1.00 0.00 H new ATOM 1322 N ARG A 86 11.567 2.132 1.013 1.00 0.00 N ATOM 1323 CA ARG A 86 13.005 1.977 0.832 1.00 0.00 C ATOM 1324 C ARG A 86 13.562 0.971 1.832 1.00 0.00 C ATOM 1325 O ARG A 86 14.642 0.416 1.635 1.00 0.00 O ATOM 1326 CB ARG A 86 13.718 3.332 0.961 1.00 0.00 C ATOM 1327 CG ARG A 86 14.162 3.680 2.373 1.00 0.00 C ATOM 1328 CD ARG A 86 15.609 3.282 2.623 1.00 0.00 C ATOM 1329 NE ARG A 86 16.108 3.799 3.893 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.344 3.595 4.338 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.199 2.872 3.627 1.00 0.00 N ATOM 1332 NH2 ARG A 86 17.726 4.112 5.497 1.00 0.00 N ATOM 0 H ARG A 86 11.266 3.083 1.224 1.00 0.00 H new ATOM 0 HA ARG A 86 13.188 1.596 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 86 14.591 3.332 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.051 4.115 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.046 4.751 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.517 3.176 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.692 2.195 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.233 3.654 1.810 1.00 0.00 H new ATOM 0 HE ARG A 86 15.473 4.348 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.909 2.470 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.146 2.718 3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.071 4.667 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.675 3.955 5.838 1.00 0.00 H new ATOM 1346 N ALA A 87 12.814 0.739 2.905 1.00 0.00 N ATOM 1347 CA ALA A 87 13.224 -0.208 3.932 1.00 0.00 C ATOM 1348 C ALA A 87 12.867 -1.631 3.522 1.00 0.00 C ATOM 1349 O ALA A 87 13.550 -2.587 3.892 1.00 0.00 O ATOM 1350 CB ALA A 87 12.575 0.142 5.261 1.00 0.00 C ATOM 0 H ALA A 87 11.920 1.195 3.085 1.00 0.00 H new ATOM 0 HA ALA A 87 14.306 -0.147 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.890 -0.574 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.878 1.145 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.491 0.106 5.157 1.00 0.00 H new ATOM 1356 N ALA A 88 11.788 -1.762 2.755 1.00 0.00 N ATOM 1357 CA ALA A 88 11.333 -3.065 2.285 1.00 0.00 C ATOM 1358 C ALA A 88 12.288 -3.640 1.244 1.00 0.00 C ATOM 1359 O ALA A 88 12.573 -4.837 1.249 1.00 0.00 O ATOM 1360 CB ALA A 88 9.930 -2.958 1.710 1.00 0.00 C ATOM 0 H ALA A 88 11.212 -0.979 2.446 1.00 0.00 H new ATOM 0 HA ALA A 88 11.315 -3.743 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.603 -3.938 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.247 -2.600 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.932 -2.259 0.874 1.00 0.00 H new ATOM 1366 N MET A 89 12.781 -2.783 0.352 1.00 0.00 N ATOM 1367 CA MET A 89 13.696 -3.221 -0.690 1.00 0.00 C ATOM 1368 C MET A 89 15.054 -3.563 -0.081 1.00 0.00 C ATOM 1369 O MET A 89 15.694 -4.536 -0.473 1.00 0.00 O ATOM 1370 CB MET A 89 13.834 -2.137 -1.766 1.00 0.00 C ATOM 1371 CG MET A 89 14.727 -0.983 -1.358 1.00 0.00 C ATOM 1372 SD MET A 89 14.590 0.442 -2.449 1.00 0.00 S ATOM 1373 CE MET A 89 15.586 1.638 -1.562 1.00 0.00 C ATOM 0 H MET A 89 12.561 -1.787 0.333 1.00 0.00 H new ATOM 0 HA MET A 89 13.296 -4.118 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.232 -2.589 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.844 -1.751 -2.009 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.476 -0.680 -0.342 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.763 -1.322 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.266 2.646 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.464 1.489 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.635 1.508 -1.830 1.00 0.00 H new ATOM 1383 N GLU A 90 15.484 -2.763 0.891 1.00 0.00 N ATOM 1384 CA GLU A 90 16.754 -3.002 1.561 1.00 0.00 C ATOM 1385 C GLU A 90 16.698 -4.318 2.323 1.00 0.00 C ATOM 1386 O GLU A 90 17.722 -4.966 2.546 1.00 0.00 O ATOM 1387 CB GLU A 90 17.084 -1.854 2.517 1.00 0.00 C ATOM 1388 CG GLU A 90 17.459 -0.560 1.812 1.00 0.00 C ATOM 1389 CD GLU A 90 18.747 -0.679 1.021 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.696 -1.169 -0.127 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.807 -0.284 1.550 1.00 0.00 O ATOM 0 H GLU A 90 14.973 -1.948 1.229 1.00 0.00 H new ATOM 0 HA GLU A 90 17.540 -3.058 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.224 -1.670 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.907 -2.157 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.651 -0.269 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.563 0.235 2.551 1.00 0.00 H new ATOM 1398 N LYS A 91 15.489 -4.707 2.717 1.00 0.00 N ATOM 1399 CA LYS A 91 15.288 -5.954 3.443 1.00 0.00 C ATOM 1400 C LYS A 91 15.652 -7.144 2.559 1.00 0.00 C ATOM 1401 O LYS A 91 16.378 -8.041 2.979 1.00 0.00 O ATOM 1402 CB LYS A 91 13.836 -6.069 3.915 1.00 0.00 C ATOM 1403 CG LYS A 91 13.578 -7.273 4.808 1.00 0.00 C ATOM 1404 CD LYS A 91 14.370 -7.190 6.106 1.00 0.00 C ATOM 1405 CE LYS A 91 14.173 -8.431 6.960 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.525 -9.675 6.220 1.00 0.00 N ATOM 0 H LYS A 91 14.635 -4.176 2.545 1.00 0.00 H new ATOM 0 HA LYS A 91 15.938 -5.955 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.566 -5.162 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.183 -6.127 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.514 -7.337 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.846 -8.185 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.429 -7.067 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.060 -6.308 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.788 -8.356 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.135 -8.485 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.040 -10.321 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.656 -10.138 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.125 -9.436 5.405 1.00 0.00 H new ATOM 1420 N LEU A 92 15.145 -7.141 1.331 1.00 0.00 N ATOM 1421 CA LEU A 92 15.429 -8.215 0.385 1.00 0.00 C ATOM 1422 C LEU A 92 16.885 -8.178 -0.035 1.00 0.00 C ATOM 1423 O LEU A 92 17.495 -9.213 -0.277 1.00 0.00 O ATOM 1424 CB LEU A 92 14.536 -8.093 -0.845 1.00 0.00 C ATOM 1425 CG LEU A 92 13.044 -8.128 -0.552 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.253 -7.728 -1.786 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.638 -9.515 -0.073 1.00 0.00 C ATOM 0 H LEU A 92 14.536 -6.408 0.967 1.00 0.00 H new ATOM 0 HA LEU A 92 15.225 -9.166 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.770 -7.159 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.776 -8.903 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 92 12.822 -7.412 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.187 -7.758 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.532 -6.718 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.471 -8.421 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.568 -9.530 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.868 -10.249 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.187 -9.761 0.836 1.00 0.00 H new ATOM 1439 N ALA A 93 17.429 -6.976 -0.142 1.00 0.00 N ATOM 1440 CA ALA A 93 18.825 -6.813 -0.518 1.00 0.00 C ATOM 1441 C ALA A 93 19.735 -7.600 0.420 1.00 0.00 C ATOM 1442 O ALA A 93 20.777 -8.111 0.005 1.00 0.00 O ATOM 1443 CB ALA A 93 19.206 -5.340 -0.524 1.00 0.00 C ATOM 0 H ALA A 93 16.929 -6.103 0.025 1.00 0.00 H new ATOM 0 HA ALA A 93 18.956 -7.207 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.253 -5.236 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.582 -4.806 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.056 -4.921 0.471 1.00 0.00 H new ATOM 1449 N GLU A 94 19.337 -7.693 1.685 1.00 0.00 N ATOM 1450 CA GLU A 94 20.113 -8.423 2.679 1.00 0.00 C ATOM 1451 C GLU A 94 19.576 -9.841 2.865 1.00 0.00 C ATOM 1452 O GLU A 94 20.222 -10.679 3.496 1.00 0.00 O ATOM 1453 CB GLU A 94 20.107 -7.682 4.016 1.00 0.00 C ATOM 1454 CG GLU A 94 18.726 -7.544 4.636 1.00 0.00 C ATOM 1455 CD GLU A 94 18.771 -6.936 6.023 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.813 -5.693 6.127 1.00 0.00 O ATOM 1457 OE2 GLU A 94 18.762 -7.705 7.008 1.00 0.00 O ATOM 0 H GLU A 94 18.481 -7.271 2.045 1.00 0.00 H new ATOM 0 HA GLU A 94 21.139 -8.489 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.758 -8.208 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.531 -6.688 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.102 -6.925 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.255 -8.526 4.688 1.00 0.00 H new ATOM 1464 N THR A 95 18.394 -10.103 2.317 1.00 0.00 N ATOM 1465 CA THR A 95 17.779 -11.425 2.429 1.00 0.00 C ATOM 1466 C THR A 95 18.150 -12.303 1.243 1.00 0.00 C ATOM 1467 O THR A 95 18.218 -13.527 1.358 1.00 0.00 O ATOM 1468 CB THR A 95 16.245 -11.347 2.526 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.862 -10.432 3.559 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.654 -12.718 2.822 1.00 0.00 C ATOM 0 H THR A 95 17.843 -9.423 1.793 1.00 0.00 H new ATOM 0 HA THR A 95 18.165 -11.863 3.349 1.00 0.00 H new ATOM 0 HB THR A 95 15.862 -10.996 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.719 -9.543 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.569 -12.640 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.921 -13.410 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.048 -13.087 3.769 1.00 0.00 H new ATOM 1478 N GLY A 96 18.403 -11.664 0.107 1.00 0.00 N ATOM 1479 CA GLY A 96 18.759 -12.388 -1.093 1.00 0.00 C ATOM 1480 C GLY A 96 17.656 -13.308 -1.566 1.00 0.00 C ATOM 1481 O GLY A 96 17.329 -14.294 -0.906 1.00 0.00 O ATOM 0 H GLY A 96 18.367 -10.650 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.999 -11.677 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.660 -12.973 -0.906 1.00 0.00 H new ATOM 1485 N THR A 97 17.090 -12.987 -2.720 1.00 0.00 N ATOM 1486 CA THR A 97 16.011 -13.779 -3.286 1.00 0.00 C ATOM 1487 C THR A 97 16.076 -13.783 -4.809 1.00 0.00 C ATOM 1488 O THR A 97 17.000 -13.224 -5.401 1.00 0.00 O ATOM 1489 CB THR A 97 14.643 -13.241 -2.835 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.613 -11.816 -2.966 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.355 -13.627 -1.392 1.00 0.00 C ATOM 0 H THR A 97 17.362 -12.181 -3.283 1.00 0.00 H new ATOM 0 HA THR A 97 16.131 -14.800 -2.924 1.00 0.00 H new ATOM 0 HB THR A 97 13.876 -13.683 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.231 -11.421 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.382 -13.234 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.351 -14.713 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.126 -13.210 -0.743 1.00 0.00 H new ATOM 1499 N GLY A 98 15.094 -14.420 -5.438 1.00 0.00 N ATOM 1500 CA GLY A 98 15.061 -14.484 -6.888 1.00 0.00 C ATOM 1501 C GLY A 98 14.437 -13.251 -7.509 1.00 0.00 C ATOM 1502 O GLY A 98 15.142 -12.325 -7.912 1.00 0.00 O ATOM 0 H GLY A 98 14.321 -14.893 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.076 -14.603 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.500 -15.366 -7.197 1.00 0.00 H new ATOM 1506 N PHE A 99 13.110 -13.238 -7.584 1.00 0.00 N ATOM 1507 CA PHE A 99 12.384 -12.113 -8.162 1.00 0.00 C ATOM 1508 C PHE A 99 12.292 -10.954 -7.172 1.00 0.00 C ATOM 1509 O PHE A 99 12.436 -9.792 -7.549 1.00 0.00 O ATOM 1510 CB PHE A 99 10.983 -12.564 -8.585 1.00 0.00 C ATOM 1511 CG PHE A 99 10.076 -11.441 -9.005 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.319 -10.731 -10.171 1.00 0.00 C ATOM 1513 CD2 PHE A 99 8.976 -11.100 -8.234 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.480 -9.702 -10.558 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.136 -10.072 -8.616 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.387 -9.372 -9.779 1.00 0.00 C ATOM 0 H PHE A 99 12.514 -13.996 -7.251 1.00 0.00 H new ATOM 0 HA PHE A 99 12.929 -11.763 -9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.074 -13.271 -9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.520 -13.100 -7.756 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.172 -10.984 -10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.773 -11.644 -7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.679 -9.156 -11.469 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.283 -9.816 -8.005 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.731 -8.568 -10.079 1.00 0.00 H new ATOM 1526 N ALA A 100 12.058 -11.282 -5.906 1.00 0.00 N ATOM 1527 CA ALA A 100 11.939 -10.274 -4.857 1.00 0.00 C ATOM 1528 C ALA A 100 13.185 -9.397 -4.775 1.00 0.00 C ATOM 1529 O ALA A 100 13.089 -8.178 -4.640 1.00 0.00 O ATOM 1530 CB ALA A 100 11.681 -10.943 -3.516 1.00 0.00 C ATOM 0 H ALA A 100 11.946 -12.242 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 100 11.096 -9.631 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.594 -10.182 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.755 -11.516 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.509 -11.611 -3.277 1.00 0.00 H new ATOM 1536 N ARG A 101 14.352 -10.025 -4.858 1.00 0.00 N ATOM 1537 CA ARG A 101 15.618 -9.304 -4.780 1.00 0.00 C ATOM 1538 C ARG A 101 15.741 -8.270 -5.892 1.00 0.00 C ATOM 1539 O ARG A 101 15.864 -7.075 -5.625 1.00 0.00 O ATOM 1540 CB ARG A 101 16.783 -10.285 -4.853 1.00 0.00 C ATOM 1541 CG ARG A 101 18.154 -9.622 -4.838 1.00 0.00 C ATOM 1542 CD ARG A 101 18.364 -8.778 -3.591 1.00 0.00 C ATOM 1543 NE ARG A 101 19.577 -7.971 -3.684 1.00 0.00 N ATOM 1544 CZ ARG A 101 19.578 -6.643 -3.760 1.00 0.00 C ATOM 1545 NH1 ARG A 101 18.433 -5.974 -3.738 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.725 -5.984 -3.854 1.00 0.00 N ATOM 0 H ARG A 101 14.448 -11.033 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 101 15.644 -8.777 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.716 -10.976 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.688 -10.879 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.928 -10.388 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.263 -8.995 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.503 -8.126 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.425 -9.428 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 101 20.476 -8.453 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.549 -6.478 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.436 -4.956 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.607 -6.495 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.725 -4.966 -3.912 1.00 0.00 H new ATOM 1560 N LYS A 102 15.721 -8.738 -7.139 1.00 0.00 N ATOM 1561 CA LYS A 102 15.823 -7.845 -8.288 1.00 0.00 C ATOM 1562 C LYS A 102 14.824 -6.707 -8.156 1.00 0.00 C ATOM 1563 O LYS A 102 15.108 -5.567 -8.514 1.00 0.00 O ATOM 1564 CB LYS A 102 15.579 -8.612 -9.591 1.00 0.00 C ATOM 1565 CG LYS A 102 15.189 -7.718 -10.759 1.00 0.00 C ATOM 1566 CD LYS A 102 15.386 -8.420 -12.093 1.00 0.00 C ATOM 1567 CE LYS A 102 14.958 -7.538 -13.253 1.00 0.00 C ATOM 1568 NZ LYS A 102 15.212 -8.188 -14.569 1.00 0.00 N ATOM 0 H LYS A 102 15.635 -9.726 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 102 16.831 -7.431 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.482 -9.164 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.791 -9.347 -9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.146 -7.418 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.786 -6.807 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.434 -8.694 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.811 -9.346 -12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.897 -7.307 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.495 -6.591 -13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.906 -7.554 -15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.228 -8.385 -14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.679 -9.079 -14.625 1.00 0.00 H new ATOM 1582 N VAL A 103 13.654 -7.034 -7.631 1.00 0.00 N ATOM 1583 CA VAL A 103 12.603 -6.053 -7.429 1.00 0.00 C ATOM 1584 C VAL A 103 13.057 -4.959 -6.467 1.00 0.00 C ATOM 1585 O VAL A 103 12.797 -3.779 -6.688 1.00 0.00 O ATOM 1586 CB VAL A 103 11.330 -6.725 -6.879 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.403 -5.707 -6.226 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.606 -7.469 -7.989 1.00 0.00 C ATOM 0 H VAL A 103 13.408 -7.979 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 103 12.380 -5.603 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 103 11.631 -7.440 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.515 -6.213 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.922 -5.220 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.109 -4.958 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.709 -7.939 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.327 -6.768 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.263 -8.235 -8.402 1.00 0.00 H new ATOM 1598 N ALA A 104 13.742 -5.365 -5.404 1.00 0.00 N ATOM 1599 CA ALA A 104 14.228 -4.432 -4.397 1.00 0.00 C ATOM 1600 C ALA A 104 15.273 -3.472 -4.959 1.00 0.00 C ATOM 1601 O ALA A 104 15.088 -2.254 -4.939 1.00 0.00 O ATOM 1602 CB ALA A 104 14.806 -5.204 -3.224 1.00 0.00 C ATOM 0 H ALA A 104 13.974 -6.341 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 104 13.382 -3.831 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.169 -4.504 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.033 -5.837 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.632 -5.826 -3.569 1.00 0.00 H new ATOM 1608 N VAL A 105 16.370 -4.032 -5.458 1.00 0.00 N ATOM 1609 CA VAL A 105 17.463 -3.235 -6.009 1.00 0.00 C ATOM 1610 C VAL A 105 16.998 -2.359 -7.165 1.00 0.00 C ATOM 1611 O VAL A 105 17.312 -1.172 -7.220 1.00 0.00 O ATOM 1612 CB VAL A 105 18.620 -4.136 -6.488 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.117 -5.200 -7.453 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.722 -3.303 -7.128 1.00 0.00 C ATOM 0 H VAL A 105 16.527 -5.039 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 105 17.816 -2.590 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 105 19.037 -4.642 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.952 -5.822 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.373 -5.821 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.665 -4.720 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.528 -3.958 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.319 -2.763 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 105 20.109 -2.591 -6.400 1.00 0.00 H new ATOM 1624 N ASN A 106 16.256 -2.950 -8.085 1.00 0.00 N ATOM 1625 CA ASN A 106 15.757 -2.216 -9.242 1.00 0.00 C ATOM 1626 C ASN A 106 14.779 -1.119 -8.831 1.00 0.00 C ATOM 1627 O ASN A 106 14.710 -0.074 -9.478 1.00 0.00 O ATOM 1628 CB ASN A 106 15.078 -3.169 -10.226 1.00 0.00 C ATOM 1629 CG ASN A 106 14.499 -2.445 -11.428 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.037 -1.430 -11.874 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.397 -2.961 -11.957 1.00 0.00 N ATOM 0 H ASN A 106 15.985 -3.933 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 106 16.613 -1.746 -9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.800 -3.911 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.283 -3.710 -9.713 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.962 -2.515 -12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.985 -3.803 -11.556 1.00 0.00 H new ATOM 1638 N TYR A 107 14.022 -1.354 -7.762 1.00 0.00 N ATOM 1639 CA TYR A 107 13.047 -0.386 -7.303 1.00 0.00 C ATOM 1640 C TYR A 107 13.722 0.920 -6.883 1.00 0.00 C ATOM 1641 O TYR A 107 13.111 1.987 -6.934 1.00 0.00 O ATOM 1642 CB TYR A 107 12.235 -0.988 -6.164 1.00 0.00 C ATOM 1643 CG TYR A 107 11.485 0.024 -5.344 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.537 0.863 -5.909 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.745 0.136 -3.999 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.867 1.793 -5.139 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.086 1.060 -3.218 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.145 1.889 -3.792 1.00 0.00 C ATOM 1649 OH TYR A 107 9.483 2.815 -3.020 1.00 0.00 O ATOM 0 H TYR A 107 14.070 -2.206 -7.203 1.00 0.00 H new ATOM 0 HA TYR A 107 12.371 -0.143 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.524 -1.704 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.905 -1.546 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.320 0.788 -6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.480 -0.513 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.130 2.441 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.305 1.135 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 107 10.133 3.329 -2.496 1.00 0.00 H new ATOM 1659 N LEU A 108 14.983 0.826 -6.465 1.00 0.00 N ATOM 1660 CA LEU A 108 15.748 1.998 -6.039 1.00 0.00 C ATOM 1661 C LEU A 108 15.704 3.101 -7.094 1.00 0.00 C ATOM 1662 O LEU A 108 15.847 4.282 -6.776 1.00 0.00 O ATOM 1663 CB LEU A 108 17.204 1.613 -5.760 1.00 0.00 C ATOM 1664 CG LEU A 108 17.654 1.768 -4.307 1.00 0.00 C ATOM 1665 CD1 LEU A 108 19.057 1.213 -4.121 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.598 3.228 -3.881 1.00 0.00 C ATOM 0 H LEU A 108 15.499 -0.052 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 108 15.292 2.376 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.352 0.576 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.851 2.223 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 108 16.972 1.200 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.360 1.332 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.068 0.155 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.750 1.753 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.922 3.317 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.256 3.819 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.576 3.595 -3.975 1.00 0.00 H new ATOM 1678 N GLU A 109 15.506 2.706 -8.349 1.00 0.00 N ATOM 1679 CA GLU A 109 15.440 3.660 -9.456 1.00 0.00 C ATOM 1680 C GLU A 109 14.377 4.728 -9.205 1.00 0.00 C ATOM 1681 O GLU A 109 14.388 5.788 -9.831 1.00 0.00 O ATOM 1682 CB GLU A 109 15.142 2.930 -10.768 1.00 0.00 C ATOM 1683 CG GLU A 109 16.248 1.981 -11.202 1.00 0.00 C ATOM 1684 CD GLU A 109 17.562 2.695 -11.455 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.729 3.258 -12.556 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.424 2.688 -10.551 1.00 0.00 O ATOM 0 H GLU A 109 15.388 1.732 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 109 16.409 4.153 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.215 2.368 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.977 3.667 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.393 1.222 -10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.941 1.461 -12.109 1.00 0.00 H new ATOM 1693 N THR A 110 13.461 4.439 -8.288 1.00 0.00 N ATOM 1694 CA THR A 110 12.390 5.368 -7.952 1.00 0.00 C ATOM 1695 C THR A 110 12.689 6.095 -6.643 1.00 0.00 C ATOM 1696 O THR A 110 13.052 7.271 -6.644 1.00 0.00 O ATOM 1697 CB THR A 110 11.039 4.638 -7.827 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.861 3.747 -8.937 1.00 0.00 O ATOM 1699 CG2 THR A 110 9.887 5.630 -7.782 1.00 0.00 C ATOM 0 H THR A 110 13.439 3.565 -7.762 1.00 0.00 H new ATOM 0 HA THR A 110 12.328 6.095 -8.762 1.00 0.00 H new ATOM 0 HB THR A 110 11.044 4.069 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.001 3.285 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.945 5.089 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.009 6.290 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.881 6.222 -8.697 1.00 0.00 H new ATOM 1707 N HIS A 111 12.536 5.383 -5.529 1.00 0.00 N ATOM 1708 CA HIS A 111 12.798 5.956 -4.211 1.00 0.00 C ATOM 1709 C HIS A 111 13.680 5.025 -3.384 1.00 0.00 C ATOM 1710 O HIS A 111 13.126 4.155 -2.679 1.00 0.00 O ATOM 1711 CB HIS A 111 11.487 6.225 -3.468 1.00 0.00 C ATOM 1712 CG HIS A 111 10.663 7.319 -4.076 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.462 7.281 -4.703 1.00 0.00 N flip ATOM 1714 CD2 HIS A 111 11.052 8.642 -4.081 1.00 0.00 C flip ATOM 1715 CE1 HIS A 111 9.154 8.568 -5.070 1.00 0.00 C flip ATOM 1716 NE2 HIS A 111 10.128 9.371 -4.683 1.00 0.00 N flip ATOM 1717 OXT HIS A 111 14.918 5.172 -3.452 1.00 0.00 O ATOM 0 H HIS A 111 12.232 4.409 -5.513 1.00 0.00 H new ATOM 0 HA HIS A 111 13.322 6.901 -4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.898 5.308 -3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.713 6.484 -2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.970 9.024 -3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.259 8.874 -5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.162 10.381 -4.824 1.00 0.00 H new