USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=17 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 48 ASN :FLIP amide:sc= -0.339 F(o=-7.1!,f=-1.3) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -0.92 F(o=-3.2!,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= -0.019 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.11! C(o=-7.1!,f=-10!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.0648 (180deg=-0.401) USER MOD Single : A 66 SER OG : rot -121:sc= 0.0149 USER MOD Single : A 71 SER OG : rot -176:sc= -0.919 USER MOD Single : A 76 SER OG : rot -170:sc= 1.15 USER MOD Single : A 89 MET CE :methyl -143:sc= -3.93! (180deg=-9.32!) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0772) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.457 USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0309 F(o=-1.6!,f=-0.031) USER MOD Single : A 107 TYR OH : rot 90:sc= -1.77! USER MOD Single : A 110 THR OG1 : rot -38:sc= 0.691 USER MOD Single : A 111 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.166 -0.472 6.269 1.00 0.00 N ATOM 348 CA ALA A 23 -10.898 -1.642 5.446 1.00 0.00 C ATOM 349 C ALA A 23 -9.428 -2.041 5.495 1.00 0.00 C ATOM 350 O ALA A 23 -9.068 -3.149 5.101 1.00 0.00 O ATOM 351 CB ALA A 23 -11.311 -1.368 4.012 1.00 0.00 C ATOM 0 HA ALA A 23 -11.481 -2.472 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.108 -2.247 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.376 -1.140 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.746 -0.520 3.626 1.00 0.00 H new ATOM 357 N PHE A 24 -8.586 -1.137 5.980 1.00 0.00 N ATOM 358 CA PHE A 24 -7.151 -1.390 6.060 1.00 0.00 C ATOM 359 C PHE A 24 -6.842 -2.628 6.895 1.00 0.00 C ATOM 360 O PHE A 24 -6.120 -3.521 6.451 1.00 0.00 O ATOM 361 CB PHE A 24 -6.432 -0.179 6.644 1.00 0.00 C ATOM 362 CG PHE A 24 -5.046 -0.015 6.098 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.040 -0.895 6.457 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.753 1.012 5.217 1.00 0.00 C ATOM 365 CE1 PHE A 24 -2.767 -0.754 5.948 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.481 1.158 4.706 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.486 0.274 5.071 1.00 0.00 C ATOM 0 H PHE A 24 -8.872 -0.220 6.325 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.793 -1.570 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.011 0.720 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.382 -0.278 7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.255 -1.701 7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.529 1.706 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.990 -1.447 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.263 1.964 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.489 0.386 4.671 1.00 0.00 H new ATOM 377 N GLU A 25 -7.379 -2.676 8.108 1.00 0.00 N ATOM 378 CA GLU A 25 -7.145 -3.809 8.996 1.00 0.00 C ATOM 379 C GLU A 25 -7.697 -5.114 8.413 1.00 0.00 C ATOM 380 O GLU A 25 -6.948 -6.075 8.252 1.00 0.00 O ATOM 381 CB GLU A 25 -7.766 -3.562 10.365 1.00 0.00 C ATOM 382 CG GLU A 25 -6.749 -3.407 11.484 1.00 0.00 C ATOM 383 CD GLU A 25 -7.401 -3.181 12.834 1.00 0.00 C ATOM 384 OE1 GLU A 25 -7.728 -4.178 13.509 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.585 -2.006 13.215 1.00 0.00 O ATOM 0 H GLU A 25 -7.977 -1.948 8.498 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.065 -3.911 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.379 -2.662 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.433 -4.390 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.126 -4.300 11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.090 -2.569 11.258 1.00 0.00 H new ATOM 392 N PRO A 26 -9.013 -5.185 8.090 1.00 0.00 N ATOM 393 CA PRO A 26 -9.616 -6.404 7.532 1.00 0.00 C ATOM 394 C PRO A 26 -8.925 -6.843 6.251 1.00 0.00 C ATOM 395 O PRO A 26 -9.139 -7.951 5.758 1.00 0.00 O ATOM 396 CB PRO A 26 -11.069 -6.007 7.238 1.00 0.00 C ATOM 397 CG PRO A 26 -11.087 -4.518 7.270 1.00 0.00 C ATOM 398 CD PRO A 26 -10.005 -4.105 8.225 1.00 0.00 C ATOM 0 HA PRO A 26 -9.530 -7.245 8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.390 -6.383 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.748 -6.424 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -10.908 -4.105 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.058 -4.148 7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.583 -3.135 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.377 -4.025 9.246 1.00 0.00 H new ATOM 406 N LEU A 27 -8.095 -5.959 5.722 1.00 0.00 N ATOM 407 CA LEU A 27 -7.357 -6.218 4.508 1.00 0.00 C ATOM 408 C LEU A 27 -6.072 -6.974 4.831 1.00 0.00 C ATOM 409 O LEU A 27 -5.715 -7.938 4.154 1.00 0.00 O ATOM 410 CB LEU A 27 -7.067 -4.882 3.831 1.00 0.00 C ATOM 411 CG LEU A 27 -5.761 -4.802 3.055 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.798 -5.727 1.849 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.490 -3.371 2.624 1.00 0.00 C ATOM 0 H LEU A 27 -7.917 -5.040 6.128 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.938 -6.842 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.887 -4.656 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.063 -4.103 4.594 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.950 -5.126 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.855 -5.656 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.948 -6.754 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.617 -5.436 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.552 -3.329 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.303 -3.022 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.420 -2.733 3.505 1.00 0.00 H new ATOM 425 N LEU A 28 -5.384 -6.525 5.877 1.00 0.00 N ATOM 426 CA LEU A 28 -4.152 -7.165 6.319 1.00 0.00 C ATOM 427 C LEU A 28 -4.482 -8.338 7.231 1.00 0.00 C ATOM 428 O LEU A 28 -3.643 -9.203 7.488 1.00 0.00 O ATOM 429 CB LEU A 28 -3.253 -6.156 7.043 1.00 0.00 C ATOM 430 CG LEU A 28 -3.946 -5.318 8.121 1.00 0.00 C ATOM 431 CD1 LEU A 28 -4.007 -6.074 9.440 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.231 -3.987 8.300 1.00 0.00 C ATOM 0 H LEU A 28 -5.661 -5.717 6.435 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.612 -7.536 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.425 -6.696 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.822 -5.482 6.303 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.968 -5.122 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.504 -5.458 10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.566 -7.000 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.996 -6.306 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.736 -3.403 9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.198 -4.166 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.246 -3.437 7.359 1.00 0.00 H new ATOM 444 N GLU A 29 -5.718 -8.351 7.715 1.00 0.00 N ATOM 445 CA GLU A 29 -6.193 -9.409 8.594 1.00 0.00 C ATOM 446 C GLU A 29 -6.379 -10.700 7.806 1.00 0.00 C ATOM 447 O GLU A 29 -6.205 -11.797 8.335 1.00 0.00 O ATOM 448 CB GLU A 29 -7.515 -8.996 9.246 1.00 0.00 C ATOM 449 CG GLU A 29 -8.067 -10.026 10.218 1.00 0.00 C ATOM 450 CD GLU A 29 -9.348 -9.566 10.887 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.431 -9.767 10.297 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.268 -9.005 12.001 1.00 0.00 O ATOM 0 H GLU A 29 -6.414 -7.634 7.510 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.452 -9.577 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.370 -8.053 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.254 -8.814 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.254 -10.959 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.318 -10.238 10.981 1.00 0.00 H new ATOM 459 N SER A 30 -6.730 -10.551 6.529 1.00 0.00 N ATOM 460 CA SER A 30 -6.944 -11.694 5.649 1.00 0.00 C ATOM 461 C SER A 30 -5.644 -12.450 5.405 1.00 0.00 C ATOM 462 O SER A 30 -5.660 -13.609 4.993 1.00 0.00 O ATOM 463 CB SER A 30 -7.531 -11.231 4.313 1.00 0.00 C ATOM 464 OG SER A 30 -7.934 -12.335 3.522 1.00 0.00 O ATOM 0 H SER A 30 -6.872 -9.645 6.082 1.00 0.00 H new ATOM 0 HA SER A 30 -7.648 -12.367 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.385 -10.579 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.790 -10.643 3.771 1.00 0.00 H new ATOM 0 HG SER A 30 -8.307 -12.012 2.675 1.00 0.00 H new ATOM 470 N LEU A 31 -4.517 -11.789 5.659 1.00 0.00 N ATOM 471 CA LEU A 31 -3.206 -12.405 5.463 1.00 0.00 C ATOM 472 C LEU A 31 -3.076 -13.686 6.279 1.00 0.00 C ATOM 473 O LEU A 31 -2.193 -14.506 6.030 1.00 0.00 O ATOM 474 CB LEU A 31 -2.095 -11.429 5.857 1.00 0.00 C ATOM 475 CG LEU A 31 -1.963 -10.198 4.961 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.006 -9.193 5.582 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.487 -10.598 3.571 1.00 0.00 C ATOM 0 H LEU A 31 -4.485 -10.828 6.000 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.108 -12.654 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.271 -11.097 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.145 -11.964 5.854 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.944 -9.731 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.922 -8.322 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.384 -8.884 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.025 -9.652 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.399 -9.709 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.516 -11.087 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.205 -11.285 3.124 1.00 0.00 H new ATOM 489 N SER A 32 -3.961 -13.849 7.255 1.00 0.00 N ATOM 490 CA SER A 32 -3.947 -15.029 8.111 1.00 0.00 C ATOM 491 C SER A 32 -4.905 -16.099 7.593 1.00 0.00 C ATOM 492 O SER A 32 -5.357 -16.956 8.353 1.00 0.00 O ATOM 493 CB SER A 32 -4.317 -14.645 9.544 1.00 0.00 C ATOM 494 OG SER A 32 -3.339 -13.792 10.113 1.00 0.00 O ATOM 0 H SER A 32 -4.698 -13.178 7.474 1.00 0.00 H new ATOM 0 HA SER A 32 -2.938 -15.442 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.287 -14.147 9.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.416 -15.545 10.151 1.00 0.00 H new ATOM 0 HG SER A 32 -3.600 -13.560 11.029 1.00 0.00 H new ATOM 500 N ASN A 33 -5.208 -16.052 6.297 1.00 0.00 N ATOM 501 CA ASN A 33 -6.119 -17.023 5.697 1.00 0.00 C ATOM 502 C ASN A 33 -5.364 -18.288 5.290 1.00 0.00 C ATOM 503 O ASN A 33 -4.194 -18.230 4.912 1.00 0.00 O ATOM 504 CB ASN A 33 -6.839 -16.410 4.493 1.00 0.00 C ATOM 505 CG ASN A 33 -6.039 -16.517 3.211 1.00 0.00 C ATOM 506 OD1 ASN A 33 -6.271 -17.410 2.400 1.00 0.00 O ATOM 507 ND2 ASN A 33 -5.090 -15.609 3.024 1.00 0.00 N ATOM 0 H ASN A 33 -4.839 -15.358 5.647 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.868 -17.298 6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.800 -16.907 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.049 -15.360 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.518 -15.635 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.932 -14.885 3.725 1.00 0.00 H new ATOM 514 N GLU A 34 -6.044 -19.428 5.372 1.00 0.00 N ATOM 515 CA GLU A 34 -5.438 -20.715 5.037 1.00 0.00 C ATOM 516 C GLU A 34 -5.107 -20.826 3.549 1.00 0.00 C ATOM 517 O GLU A 34 -4.208 -21.576 3.165 1.00 0.00 O ATOM 518 CB GLU A 34 -6.368 -21.856 5.452 1.00 0.00 C ATOM 519 CG GLU A 34 -6.620 -21.918 6.950 1.00 0.00 C ATOM 520 CD GLU A 34 -5.339 -22.052 7.751 1.00 0.00 C ATOM 521 OE1 GLU A 34 -4.731 -21.010 8.079 1.00 0.00 O ATOM 522 OE2 GLU A 34 -4.943 -23.198 8.052 1.00 0.00 O ATOM 0 H GLU A 34 -7.018 -19.488 5.668 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.500 -20.787 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.321 -21.743 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.938 -22.802 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.148 -21.017 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.272 -22.763 7.170 1.00 0.00 H new ATOM 529 N ASP A 35 -5.829 -20.086 2.715 1.00 0.00 N ATOM 530 CA ASP A 35 -5.597 -20.121 1.273 1.00 0.00 C ATOM 531 C ASP A 35 -4.443 -19.202 0.880 1.00 0.00 C ATOM 532 O ASP A 35 -4.029 -18.341 1.657 1.00 0.00 O ATOM 533 CB ASP A 35 -6.869 -19.723 0.519 1.00 0.00 C ATOM 534 CG ASP A 35 -6.747 -19.940 -0.976 1.00 0.00 C ATOM 535 OD1 ASP A 35 -6.628 -21.109 -1.399 1.00 0.00 O ATOM 536 OD2 ASP A 35 -6.775 -18.941 -1.725 1.00 0.00 O ATOM 0 H ASP A 35 -6.576 -19.457 3.009 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.328 -21.141 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.710 -20.302 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.090 -18.674 0.714 1.00 0.00 H new ATOM 541 N TRP A 36 -3.919 -19.397 -0.326 1.00 0.00 N ATOM 542 CA TRP A 36 -2.812 -18.584 -0.820 1.00 0.00 C ATOM 543 C TRP A 36 -3.304 -17.519 -1.796 1.00 0.00 C ATOM 544 O TRP A 36 -2.779 -16.405 -1.829 1.00 0.00 O ATOM 545 CB TRP A 36 -1.761 -19.471 -1.495 1.00 0.00 C ATOM 546 CG TRP A 36 -2.314 -20.320 -2.599 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.810 -21.587 -2.488 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.423 -19.966 -3.982 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.222 -22.040 -3.718 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.995 -21.065 -4.649 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.095 -18.826 -4.721 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.245 -21.058 -6.018 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.344 -18.822 -6.081 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.915 -19.932 -6.716 1.00 0.00 C ATOM 0 H TRP A 36 -4.243 -20.110 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.358 -18.080 0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.968 -18.840 -1.896 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.306 -20.117 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.870 -22.150 -1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.631 -22.955 -3.906 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.656 -17.965 -4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.684 -21.913 -6.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.094 -17.948 -6.664 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.098 -19.897 -7.780 1.00 0.00 H new ATOM 565 N ARG A 37 -4.313 -17.867 -2.590 1.00 0.00 N ATOM 566 CA ARG A 37 -4.871 -16.944 -3.568 1.00 0.00 C ATOM 567 C ARG A 37 -5.482 -15.719 -2.891 1.00 0.00 C ATOM 568 O ARG A 37 -5.507 -14.632 -3.466 1.00 0.00 O ATOM 569 CB ARG A 37 -5.929 -17.648 -4.417 1.00 0.00 C ATOM 570 CG ARG A 37 -6.390 -16.825 -5.604 1.00 0.00 C ATOM 571 CD ARG A 37 -7.540 -17.491 -6.341 1.00 0.00 C ATOM 572 NE ARG A 37 -8.023 -16.671 -7.449 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.203 -16.845 -8.038 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.017 -17.810 -7.630 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.570 -16.055 -9.037 1.00 0.00 N ATOM 0 H ARG A 37 -4.760 -18.784 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.057 -16.608 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.526 -18.595 -4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.790 -17.884 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.701 -15.837 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.556 -16.678 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.216 -18.460 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.357 -17.679 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.421 -15.922 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.739 -18.421 -6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.921 -17.941 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.947 -15.312 -9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.475 -16.190 -9.488 1.00 0.00 H new ATOM 589 N ILE A 38 -5.975 -15.900 -1.671 1.00 0.00 N ATOM 590 CA ILE A 38 -6.588 -14.805 -0.926 1.00 0.00 C ATOM 591 C ILE A 38 -5.531 -13.866 -0.353 1.00 0.00 C ATOM 592 O ILE A 38 -5.624 -12.647 -0.501 1.00 0.00 O ATOM 593 CB ILE A 38 -7.471 -15.327 0.225 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.511 -16.317 -0.308 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.152 -14.165 0.937 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.350 -16.960 0.776 1.00 0.00 C ATOM 0 H ILE A 38 -5.963 -16.792 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.212 -14.258 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.838 -15.848 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.169 -15.799 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.001 -17.098 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.772 -14.548 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.396 -13.495 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.776 -13.620 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.064 -17.648 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.702 -17.507 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.889 -16.188 1.325 1.00 0.00 H new ATOM 608 N ARG A 39 -4.529 -14.443 0.305 1.00 0.00 N ATOM 609 CA ARG A 39 -3.455 -13.662 0.908 1.00 0.00 C ATOM 610 C ARG A 39 -2.777 -12.762 -0.125 1.00 0.00 C ATOM 611 O ARG A 39 -2.240 -11.708 0.217 1.00 0.00 O ATOM 612 CB ARG A 39 -2.422 -14.590 1.549 1.00 0.00 C ATOM 613 CG ARG A 39 -1.382 -13.860 2.383 1.00 0.00 C ATOM 614 CD ARG A 39 -0.360 -14.821 2.967 1.00 0.00 C ATOM 615 NE ARG A 39 -0.951 -15.720 3.953 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.236 -16.492 4.769 1.00 0.00 C ATOM 617 NH1 ARG A 39 1.089 -16.468 4.717 1.00 0.00 N ATOM 618 NH2 ARG A 39 -0.847 -17.286 5.638 1.00 0.00 N ATOM 0 H ARG A 39 -4.439 -15.451 0.434 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.894 -13.027 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.938 -15.314 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.916 -15.154 0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.874 -13.119 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.876 -13.319 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.086 -15.408 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.446 -14.253 3.432 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.968 -15.759 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.562 -15.857 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.635 -17.060 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.866 -17.306 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.298 -17.877 6.262 1.00 0.00 H new ATOM 632 N GLY A 40 -2.804 -13.184 -1.386 1.00 0.00 N ATOM 633 CA GLY A 40 -2.190 -12.401 -2.442 1.00 0.00 C ATOM 634 C GLY A 40 -2.913 -11.093 -2.698 1.00 0.00 C ATOM 635 O GLY A 40 -2.306 -10.023 -2.647 1.00 0.00 O ATOM 0 H GLY A 40 -3.240 -14.053 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.153 -12.192 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.173 -12.988 -3.361 1.00 0.00 H new ATOM 639 N ALA A 41 -4.213 -11.180 -2.980 1.00 0.00 N ATOM 640 CA ALA A 41 -5.025 -9.997 -3.242 1.00 0.00 C ATOM 641 C ALA A 41 -4.856 -8.956 -2.141 1.00 0.00 C ATOM 642 O ALA A 41 -4.979 -7.755 -2.385 1.00 0.00 O ATOM 643 CB ALA A 41 -6.489 -10.385 -3.380 1.00 0.00 C ATOM 0 H ALA A 41 -4.725 -12.061 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.684 -9.554 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.085 -9.493 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.603 -11.086 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.830 -10.854 -2.457 1.00 0.00 H new ATOM 649 N ALA A 42 -4.576 -9.425 -0.929 1.00 0.00 N ATOM 650 CA ALA A 42 -4.386 -8.535 0.209 1.00 0.00 C ATOM 651 C ALA A 42 -3.265 -7.538 -0.063 1.00 0.00 C ATOM 652 O ALA A 42 -3.459 -6.327 0.042 1.00 0.00 O ATOM 653 CB ALA A 42 -4.089 -9.339 1.465 1.00 0.00 C ATOM 0 H ALA A 42 -4.476 -10.416 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.308 -7.975 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.949 -8.661 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.923 -10.009 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.182 -9.924 1.316 1.00 0.00 H new ATOM 659 N ALA A 43 -2.093 -8.051 -0.418 1.00 0.00 N ATOM 660 CA ALA A 43 -0.947 -7.200 -0.705 1.00 0.00 C ATOM 661 C ALA A 43 -1.167 -6.400 -1.984 1.00 0.00 C ATOM 662 O ALA A 43 -0.645 -5.295 -2.134 1.00 0.00 O ATOM 663 CB ALA A 43 0.318 -8.035 -0.816 1.00 0.00 C ATOM 0 H ALA A 43 -1.912 -9.050 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.833 -6.497 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.166 -7.384 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.492 -8.559 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.205 -8.761 -1.621 1.00 0.00 H new ATOM 669 N TRP A 44 -1.945 -6.966 -2.902 1.00 0.00 N ATOM 670 CA TRP A 44 -2.236 -6.311 -4.171 1.00 0.00 C ATOM 671 C TRP A 44 -2.932 -4.965 -3.964 1.00 0.00 C ATOM 672 O TRP A 44 -2.664 -4.002 -4.683 1.00 0.00 O ATOM 673 CB TRP A 44 -3.095 -7.226 -5.045 1.00 0.00 C ATOM 674 CG TRP A 44 -2.279 -8.022 -6.011 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.590 -9.169 -5.746 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.052 -7.728 -7.394 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.945 -9.603 -6.877 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.213 -8.737 -7.903 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.475 -6.709 -8.253 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.789 -8.758 -9.228 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.054 -6.731 -9.569 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.218 -7.749 -10.046 1.00 0.00 C ATOM 0 H TRP A 44 -2.386 -7.879 -2.789 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.289 -6.117 -4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.663 -7.904 -4.408 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.819 -6.624 -5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.557 -9.663 -4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.360 -10.436 -6.943 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.119 -5.919 -7.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.145 -9.542 -9.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.375 -5.950 -10.242 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.906 -7.737 -11.080 1.00 0.00 H new ATOM 693 N ILE A 45 -3.822 -4.904 -2.978 1.00 0.00 N ATOM 694 CA ILE A 45 -4.558 -3.678 -2.681 1.00 0.00 C ATOM 695 C ILE A 45 -3.935 -2.913 -1.513 1.00 0.00 C ATOM 696 O ILE A 45 -4.172 -1.717 -1.344 1.00 0.00 O ATOM 697 CB ILE A 45 -6.037 -3.984 -2.358 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.669 -4.815 -3.480 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.820 -2.695 -2.140 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.646 -4.136 -4.834 1.00 0.00 C ATOM 0 H ILE A 45 -4.052 -5.690 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.504 -3.055 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.073 -4.564 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.144 -5.768 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.702 -5.040 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.859 -2.934 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.386 -2.142 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.776 -2.086 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.111 -4.786 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.196 -3.197 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.614 -3.936 -5.123 1.00 0.00 H new ATOM 712 N ILE A 46 -3.134 -3.611 -0.713 1.00 0.00 N ATOM 713 CA ILE A 46 -2.491 -3.008 0.452 1.00 0.00 C ATOM 714 C ILE A 46 -1.722 -1.729 0.094 1.00 0.00 C ATOM 715 O ILE A 46 -1.816 -0.725 0.801 1.00 0.00 O ATOM 716 CB ILE A 46 -1.545 -4.024 1.157 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.965 -4.245 2.617 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.088 -3.583 1.090 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.180 -2.969 3.403 1.00 0.00 C ATOM 0 H ILE A 46 -2.914 -4.597 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.289 -2.731 1.141 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.634 -4.968 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.886 -4.828 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.201 -4.841 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.539 -4.319 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.219 -3.498 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.022 -2.616 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.474 -3.215 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.255 -2.393 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.966 -2.379 2.931 1.00 0.00 H new ATOM 731 N GLY A 47 -0.973 -1.765 -1.006 1.00 0.00 N ATOM 732 CA GLY A 47 -0.188 -0.608 -1.408 1.00 0.00 C ATOM 733 C GLY A 47 -1.014 0.503 -2.033 1.00 0.00 C ATOM 734 O GLY A 47 -0.534 1.627 -2.185 1.00 0.00 O ATOM 0 H GLY A 47 -0.895 -2.572 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.334 -0.214 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.574 -0.926 -2.119 1.00 0.00 H new ATOM 738 N ASN A 48 -2.256 0.201 -2.391 1.00 0.00 N ATOM 739 CA ASN A 48 -3.130 1.192 -3.013 1.00 0.00 C ATOM 740 C ASN A 48 -3.573 2.272 -2.026 1.00 0.00 C ATOM 741 O ASN A 48 -4.258 3.221 -2.409 1.00 0.00 O ATOM 742 CB ASN A 48 -4.363 0.515 -3.618 1.00 0.00 C ATOM 743 CG ASN A 48 -4.042 -0.281 -4.870 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.901 -0.958 -4.870 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -4.820 -0.294 -5.824 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.681 -0.717 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.552 1.674 -3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.809 -0.148 -2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.108 1.274 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.687 0.241 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.597 -0.840 -6.656 1.00 0.00 H new ATOM 752 N PHE A 49 -3.184 2.139 -0.759 1.00 0.00 N ATOM 753 CA PHE A 49 -3.575 3.117 0.257 1.00 0.00 C ATOM 754 C PHE A 49 -2.470 4.123 0.549 1.00 0.00 C ATOM 755 O PHE A 49 -2.751 5.265 0.914 1.00 0.00 O ATOM 756 CB PHE A 49 -3.990 2.413 1.550 1.00 0.00 C ATOM 757 CG PHE A 49 -5.249 1.607 1.419 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.485 2.185 1.663 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.197 0.271 1.053 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.646 1.444 1.544 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.354 -0.474 0.934 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.581 0.114 1.180 1.00 0.00 C ATOM 0 H PHE A 49 -2.605 1.373 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.425 3.668 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.181 1.757 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.126 3.160 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.542 3.225 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.241 -0.193 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.603 1.905 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.300 -1.514 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.487 -0.466 1.088 1.00 0.00 H new ATOM 772 N GLN A 50 -1.220 3.694 0.405 1.00 0.00 N ATOM 773 CA GLN A 50 -0.076 4.570 0.641 1.00 0.00 C ATOM 774 C GLN A 50 0.085 4.871 2.126 1.00 0.00 C ATOM 775 O GLN A 50 0.193 6.028 2.533 1.00 0.00 O ATOM 776 CB GLN A 50 -0.231 5.872 -0.144 1.00 0.00 C ATOM 777 CG GLN A 50 0.988 6.205 -0.970 1.00 0.00 C ATOM 778 CD GLN A 50 0.705 7.226 -2.055 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.824 8.431 -1.836 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.328 6.745 -3.234 1.00 0.00 N ATOM 0 H GLN A 50 -0.973 2.745 0.126 1.00 0.00 H new ATOM 0 HA GLN A 50 0.820 4.053 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.099 5.795 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.428 6.689 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.771 6.586 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.371 5.293 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.243 5.738 -3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.124 7.383 -4.003 1.00 0.00 H new ATOM 789 N ASP A 51 0.110 3.816 2.927 1.00 0.00 N ATOM 790 CA ASP A 51 0.258 3.955 4.370 1.00 0.00 C ATOM 791 C ASP A 51 1.401 3.091 4.891 1.00 0.00 C ATOM 792 O ASP A 51 1.774 2.097 4.269 1.00 0.00 O ATOM 793 CB ASP A 51 -1.045 3.573 5.071 1.00 0.00 C ATOM 794 CG ASP A 51 -2.167 4.550 4.782 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.873 4.361 3.769 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.340 5.504 5.569 1.00 0.00 O ATOM 0 H ASP A 51 0.030 2.852 2.602 1.00 0.00 H new ATOM 0 HA ASP A 51 0.492 4.997 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.346 2.575 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.875 3.527 6.147 1.00 0.00 H new ATOM 801 N GLU A 52 1.954 3.482 6.033 1.00 0.00 N ATOM 802 CA GLU A 52 3.052 2.744 6.646 1.00 0.00 C ATOM 803 C GLU A 52 2.602 1.341 7.044 1.00 0.00 C ATOM 804 O GLU A 52 3.396 0.404 7.056 1.00 0.00 O ATOM 805 CB GLU A 52 3.585 3.493 7.872 1.00 0.00 C ATOM 806 CG GLU A 52 2.551 3.691 8.972 1.00 0.00 C ATOM 807 CD GLU A 52 1.501 4.724 8.615 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.783 5.932 8.760 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.396 4.326 8.190 1.00 0.00 O ATOM 0 H GLU A 52 1.659 4.308 6.554 1.00 0.00 H new ATOM 0 HA GLU A 52 3.854 2.657 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.434 2.945 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.957 4.468 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.062 2.739 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.056 3.996 9.888 1.00 0.00 H new ATOM 816 N ARG A 53 1.322 1.211 7.376 1.00 0.00 N ATOM 817 CA ARG A 53 0.752 -0.073 7.772 1.00 0.00 C ATOM 818 C ARG A 53 0.686 -1.033 6.582 1.00 0.00 C ATOM 819 O ARG A 53 0.413 -2.223 6.744 1.00 0.00 O ATOM 820 CB ARG A 53 -0.644 0.138 8.370 1.00 0.00 C ATOM 821 CG ARG A 53 -1.246 -1.108 9.001 1.00 0.00 C ATOM 822 CD ARG A 53 -2.370 -0.753 9.962 1.00 0.00 C ATOM 823 NE ARG A 53 -2.672 -1.848 10.880 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.394 -1.704 11.987 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.898 -0.520 12.308 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.612 -2.747 12.777 1.00 0.00 N ATOM 0 H ARG A 53 0.656 1.983 7.379 1.00 0.00 H new ATOM 0 HA ARG A 53 1.398 -0.520 8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.589 0.923 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.313 0.494 7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.627 -1.766 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.471 -1.660 9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.092 0.133 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.265 -0.498 9.395 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.309 -2.775 10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.732 0.285 11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.451 -0.415 13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.226 -3.660 12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.166 -2.637 13.626 1.00 0.00 H new ATOM 840 N ALA A 54 0.941 -0.506 5.387 1.00 0.00 N ATOM 841 CA ALA A 54 0.892 -1.305 4.164 1.00 0.00 C ATOM 842 C ALA A 54 2.262 -1.851 3.765 1.00 0.00 C ATOM 843 O ALA A 54 2.431 -2.354 2.655 1.00 0.00 O ATOM 844 CB ALA A 54 0.323 -0.471 3.025 1.00 0.00 C ATOM 0 H ALA A 54 1.184 0.473 5.239 1.00 0.00 H new ATOM 0 HA ALA A 54 0.247 -2.160 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.289 -1.072 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.685 -0.144 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.957 0.400 2.860 1.00 0.00 H new ATOM 850 N VAL A 55 3.238 -1.757 4.661 1.00 0.00 N ATOM 851 CA VAL A 55 4.582 -2.240 4.360 1.00 0.00 C ATOM 852 C VAL A 55 4.784 -3.695 4.787 1.00 0.00 C ATOM 853 O VAL A 55 5.380 -4.484 4.055 1.00 0.00 O ATOM 854 CB VAL A 55 5.662 -1.366 5.029 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.522 0.084 4.589 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.598 -1.483 6.544 1.00 0.00 C ATOM 0 H VAL A 55 3.127 -1.356 5.592 1.00 0.00 H new ATOM 0 HA VAL A 55 4.686 -2.177 3.277 1.00 0.00 H new ATOM 0 HB VAL A 55 6.639 -1.728 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.292 0.686 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.635 0.148 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.538 0.457 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.370 -0.857 6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.619 -1.156 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.759 -2.521 6.836 1.00 0.00 H new ATOM 866 N GLU A 56 4.282 -4.041 5.966 1.00 0.00 N ATOM 867 CA GLU A 56 4.434 -5.394 6.499 1.00 0.00 C ATOM 868 C GLU A 56 3.799 -6.452 5.591 1.00 0.00 C ATOM 869 O GLU A 56 4.444 -7.446 5.257 1.00 0.00 O ATOM 870 CB GLU A 56 3.844 -5.491 7.908 1.00 0.00 C ATOM 871 CG GLU A 56 4.137 -6.816 8.594 1.00 0.00 C ATOM 872 CD GLU A 56 5.551 -6.895 9.133 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.780 -6.430 10.270 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.431 -7.422 8.421 1.00 0.00 O ATOM 0 H GLU A 56 3.765 -3.405 6.573 1.00 0.00 H new ATOM 0 HA GLU A 56 5.504 -5.597 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.241 -4.679 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.765 -5.349 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.432 -6.960 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.976 -7.630 7.887 1.00 0.00 H new ATOM 881 N PRO A 57 2.527 -6.264 5.176 1.00 0.00 N ATOM 882 CA PRO A 57 1.831 -7.232 4.317 1.00 0.00 C ATOM 883 C PRO A 57 2.606 -7.563 3.050 1.00 0.00 C ATOM 884 O PRO A 57 2.414 -8.621 2.451 1.00 0.00 O ATOM 885 CB PRO A 57 0.525 -6.521 3.963 1.00 0.00 C ATOM 886 CG PRO A 57 0.303 -5.560 5.076 1.00 0.00 C ATOM 887 CD PRO A 57 1.669 -5.104 5.498 1.00 0.00 C ATOM 0 HA PRO A 57 1.695 -8.188 4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.602 -6.006 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.301 -7.228 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.307 -4.718 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.224 -6.035 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.980 -4.210 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.702 -4.861 6.560 1.00 0.00 H new ATOM 895 N LEU A 58 3.482 -6.654 2.645 1.00 0.00 N ATOM 896 CA LEU A 58 4.280 -6.846 1.443 1.00 0.00 C ATOM 897 C LEU A 58 5.536 -7.658 1.742 1.00 0.00 C ATOM 898 O LEU A 58 5.921 -8.528 0.964 1.00 0.00 O ATOM 899 CB LEU A 58 4.657 -5.490 0.847 1.00 0.00 C ATOM 900 CG LEU A 58 3.474 -4.558 0.575 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.959 -3.192 0.119 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.544 -5.167 -0.463 1.00 0.00 C ATOM 0 H LEU A 58 3.658 -5.775 3.132 1.00 0.00 H new ATOM 0 HA LEU A 58 3.683 -7.403 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.347 -4.990 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.193 -5.656 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 58 2.919 -4.430 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.102 -2.546 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.584 -2.750 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.540 -3.299 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.708 -4.491 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.091 -5.326 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.166 -6.121 -0.097 1.00 0.00 H new ATOM 914 N ILE A 59 6.164 -7.373 2.878 1.00 0.00 N ATOM 915 CA ILE A 59 7.382 -8.070 3.276 1.00 0.00 C ATOM 916 C ILE A 59 7.161 -9.577 3.396 1.00 0.00 C ATOM 917 O ILE A 59 7.989 -10.371 2.947 1.00 0.00 O ATOM 918 CB ILE A 59 7.920 -7.535 4.622 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.208 -6.033 4.526 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.173 -8.295 5.039 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.258 -5.672 3.495 1.00 0.00 C ATOM 0 H ILE A 59 5.849 -6.664 3.540 1.00 0.00 H new ATOM 0 HA ILE A 59 8.114 -7.882 2.491 1.00 0.00 H new ATOM 0 HB ILE A 59 7.156 -7.691 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.282 -5.511 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.533 -5.673 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.537 -7.904 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.937 -9.353 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.943 -8.172 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.405 -4.592 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.198 -6.164 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.928 -6.000 2.509 1.00 0.00 H new ATOM 933 N LYS A 60 6.044 -9.963 4.000 1.00 0.00 N ATOM 934 CA LYS A 60 5.725 -11.375 4.202 1.00 0.00 C ATOM 935 C LYS A 60 5.385 -12.093 2.894 1.00 0.00 C ATOM 936 O LYS A 60 5.575 -13.305 2.783 1.00 0.00 O ATOM 937 CB LYS A 60 4.557 -11.511 5.180 1.00 0.00 C ATOM 938 CG LYS A 60 4.183 -12.953 5.493 1.00 0.00 C ATOM 939 CD LYS A 60 5.279 -13.662 6.275 1.00 0.00 C ATOM 940 CE LYS A 60 5.367 -13.147 7.703 1.00 0.00 C ATOM 941 NZ LYS A 60 4.121 -13.422 8.470 1.00 0.00 N ATOM 0 H LYS A 60 5.341 -9.318 4.360 1.00 0.00 H new ATOM 0 HA LYS A 60 6.617 -11.849 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.812 -11.002 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.687 -11.001 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.256 -12.972 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.994 -13.490 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.084 -14.734 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.237 -13.516 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.214 -13.614 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.556 -12.074 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.320 -13.360 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.395 -12.722 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.777 -14.377 8.242 1.00 0.00 H new ATOM 955 N LEU A 61 4.891 -11.352 1.907 1.00 0.00 N ATOM 956 CA LEU A 61 4.501 -11.958 0.635 1.00 0.00 C ATOM 957 C LEU A 61 5.657 -12.018 -0.366 1.00 0.00 C ATOM 958 O LEU A 61 5.692 -12.903 -1.221 1.00 0.00 O ATOM 959 CB LEU A 61 3.316 -11.202 0.035 1.00 0.00 C ATOM 960 CG LEU A 61 2.229 -12.088 -0.582 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.693 -13.078 0.442 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.099 -11.237 -1.133 1.00 0.00 C ATOM 0 H LEU A 61 4.752 -10.343 1.960 1.00 0.00 H new ATOM 0 HA LEU A 61 4.209 -12.987 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.864 -10.588 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.688 -10.522 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 61 2.675 -12.650 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.922 -13.696 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.506 -13.713 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.266 -12.534 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.336 -11.883 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.661 -10.648 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.488 -10.568 -1.901 1.00 0.00 H new ATOM 974 N LEU A 62 6.592 -11.077 -0.272 1.00 0.00 N ATOM 975 CA LEU A 62 7.746 -11.058 -1.170 1.00 0.00 C ATOM 976 C LEU A 62 8.536 -12.356 -1.054 1.00 0.00 C ATOM 977 O LEU A 62 9.319 -12.702 -1.938 1.00 0.00 O ATOM 978 CB LEU A 62 8.653 -9.871 -0.841 1.00 0.00 C ATOM 979 CG LEU A 62 8.050 -8.497 -1.125 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.680 -7.445 -0.225 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.235 -8.128 -2.588 1.00 0.00 C ATOM 0 H LEU A 62 6.575 -10.321 0.412 1.00 0.00 H new ATOM 0 HA LEU A 62 7.382 -10.958 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.923 -9.921 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.577 -9.970 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 62 6.982 -8.537 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.240 -6.471 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.499 -7.703 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.754 -7.406 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.800 -7.146 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.299 -8.104 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.740 -8.869 -3.216 1.00 0.00 H new ATOM 993 N GLU A 63 8.323 -13.068 0.048 1.00 0.00 N ATOM 994 CA GLU A 63 9.009 -14.327 0.295 1.00 0.00 C ATOM 995 C GLU A 63 8.037 -15.504 0.243 1.00 0.00 C ATOM 996 O GLU A 63 8.435 -16.654 0.421 1.00 0.00 O ATOM 997 CB GLU A 63 9.696 -14.279 1.658 1.00 0.00 C ATOM 998 CG GLU A 63 11.143 -14.733 1.623 1.00 0.00 C ATOM 999 CD GLU A 63 11.752 -14.855 3.006 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.207 -13.826 3.548 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.773 -15.981 3.548 1.00 0.00 O ATOM 0 H GLU A 63 7.677 -12.791 0.787 1.00 0.00 H new ATOM 0 HA GLU A 63 9.755 -14.470 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.653 -13.260 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.143 -14.907 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.205 -15.696 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.727 -14.026 1.034 1.00 0.00 H new ATOM 1008 N ASP A 64 6.759 -15.209 0.009 1.00 0.00 N ATOM 1009 CA ASP A 64 5.737 -16.250 -0.060 1.00 0.00 C ATOM 1010 C ASP A 64 6.040 -17.218 -1.190 1.00 0.00 C ATOM 1011 O ASP A 64 5.814 -18.425 -1.080 1.00 0.00 O ATOM 1012 CB ASP A 64 4.351 -15.632 -0.245 1.00 0.00 C ATOM 1013 CG ASP A 64 3.242 -16.564 0.204 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.011 -17.585 -0.476 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.605 -16.273 1.238 1.00 0.00 O ATOM 0 H ASP A 64 6.409 -14.262 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 64 5.745 -16.801 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.292 -14.702 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.206 -15.377 -1.295 1.00 0.00 H new ATOM 1020 N ASP A 65 6.552 -16.663 -2.271 1.00 0.00 N ATOM 1021 CA ASP A 65 6.921 -17.438 -3.453 1.00 0.00 C ATOM 1022 C ASP A 65 5.750 -18.249 -4.011 1.00 0.00 C ATOM 1023 O ASP A 65 5.962 -19.268 -4.669 1.00 0.00 O ATOM 1024 CB ASP A 65 8.087 -18.374 -3.126 1.00 0.00 C ATOM 1025 CG ASP A 65 9.389 -17.627 -2.912 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.087 -17.353 -3.910 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.713 -17.320 -1.745 1.00 0.00 O ATOM 0 H ASP A 65 6.726 -15.662 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 65 7.220 -16.725 -4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.849 -18.946 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.212 -19.091 -3.938 1.00 0.00 H new ATOM 1032 N SER A 66 4.517 -17.805 -3.764 1.00 0.00 N ATOM 1033 CA SER A 66 3.352 -18.521 -4.280 1.00 0.00 C ATOM 1034 C SER A 66 3.124 -18.158 -5.742 1.00 0.00 C ATOM 1035 O SER A 66 2.580 -18.947 -6.515 1.00 0.00 O ATOM 1036 CB SER A 66 2.097 -18.200 -3.466 1.00 0.00 C ATOM 1037 OG SER A 66 1.263 -19.340 -3.342 1.00 0.00 O ATOM 0 H SER A 66 4.302 -16.969 -3.220 1.00 0.00 H new ATOM 0 HA SER A 66 3.549 -19.590 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.383 -17.845 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.545 -17.392 -3.947 1.00 0.00 H new ATOM 0 HG SER A 66 0.382 -19.144 -3.725 1.00 0.00 H new ATOM 1043 N GLY A 67 3.551 -16.953 -6.109 1.00 0.00 N ATOM 1044 CA GLY A 67 3.400 -16.488 -7.474 1.00 0.00 C ATOM 1045 C GLY A 67 2.819 -15.092 -7.551 1.00 0.00 C ATOM 1046 O GLY A 67 3.524 -14.114 -7.304 1.00 0.00 O ATOM 0 H GLY A 67 4.001 -16.288 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.371 -16.501 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.755 -17.177 -8.020 1.00 0.00 H new ATOM 1050 N PHE A 68 1.536 -14.988 -7.895 1.00 0.00 N ATOM 1051 CA PHE A 68 0.893 -13.684 -7.991 1.00 0.00 C ATOM 1052 C PHE A 68 0.988 -12.958 -6.655 1.00 0.00 C ATOM 1053 O PHE A 68 0.938 -11.731 -6.598 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.567 -13.819 -8.459 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.607 -13.634 -7.386 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.100 -12.370 -7.083 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.108 -14.725 -6.695 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.067 -12.204 -6.111 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.078 -14.561 -5.724 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.557 -13.301 -5.433 1.00 0.00 C ATOM 0 H PHE A 68 0.931 -15.781 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 68 1.415 -13.090 -8.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.748 -13.088 -9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.699 -14.805 -8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.723 -11.508 -7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.737 -15.714 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.439 -11.216 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.461 -15.420 -5.193 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.315 -13.173 -4.675 1.00 0.00 H new ATOM 1070 N VAL A 69 1.133 -13.728 -5.581 1.00 0.00 N ATOM 1071 CA VAL A 69 1.268 -13.160 -4.252 1.00 0.00 C ATOM 1072 C VAL A 69 2.622 -12.473 -4.120 1.00 0.00 C ATOM 1073 O VAL A 69 2.736 -11.394 -3.540 1.00 0.00 O ATOM 1074 CB VAL A 69 1.127 -14.239 -3.157 1.00 0.00 C ATOM 1075 CG1 VAL A 69 -0.084 -15.120 -3.423 1.00 0.00 C ATOM 1076 CG2 VAL A 69 2.389 -15.076 -3.049 1.00 0.00 C ATOM 0 H VAL A 69 1.160 -14.747 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 69 0.467 -12.433 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 69 0.979 -13.733 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.165 -15.874 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.985 -14.507 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.029 -15.612 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.261 -15.828 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.581 -15.569 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.232 -14.432 -2.797 1.00 0.00 H new ATOM 1086 N ARG A 70 3.645 -13.108 -4.681 1.00 0.00 N ATOM 1087 CA ARG A 70 4.996 -12.574 -4.638 1.00 0.00 C ATOM 1088 C ARG A 70 5.117 -11.351 -5.541 1.00 0.00 C ATOM 1089 O ARG A 70 5.693 -10.334 -5.153 1.00 0.00 O ATOM 1090 CB ARG A 70 6.002 -13.647 -5.058 1.00 0.00 C ATOM 1091 CG ARG A 70 7.439 -13.307 -4.705 1.00 0.00 C ATOM 1092 CD ARG A 70 8.413 -14.301 -5.317 1.00 0.00 C ATOM 1093 NE ARG A 70 8.303 -14.345 -6.772 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.751 -15.350 -7.519 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.339 -16.395 -6.950 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.611 -15.310 -8.837 1.00 0.00 N ATOM 0 H ARG A 70 3.561 -13.998 -5.173 1.00 0.00 H new ATOM 0 HA ARG A 70 5.216 -12.269 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.734 -14.590 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.928 -13.800 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.673 -12.302 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.557 -13.301 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.431 -14.030 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.224 -15.294 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 70 7.856 -13.559 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.449 -16.429 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.681 -17.164 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.160 -14.508 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.955 -16.081 -9.410 1.00 0.00 H new ATOM 1110 N SER A 71 4.567 -11.459 -6.746 1.00 0.00 N ATOM 1111 CA SER A 71 4.598 -10.363 -7.708 1.00 0.00 C ATOM 1112 C SER A 71 3.751 -9.193 -7.225 1.00 0.00 C ATOM 1113 O SER A 71 4.086 -8.031 -7.458 1.00 0.00 O ATOM 1114 CB SER A 71 4.095 -10.833 -9.071 1.00 0.00 C ATOM 1115 OG SER A 71 2.765 -11.315 -8.987 1.00 0.00 O ATOM 0 H SER A 71 4.093 -12.298 -7.081 1.00 0.00 H new ATOM 0 HA SER A 71 5.632 -10.031 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.142 -10.009 -9.783 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.747 -11.620 -9.451 1.00 0.00 H new ATOM 0 HG SER A 71 2.489 -11.667 -9.859 1.00 0.00 H new ATOM 1121 N GLY A 72 2.650 -9.511 -6.551 1.00 0.00 N ATOM 1122 CA GLY A 72 1.763 -8.481 -6.047 1.00 0.00 C ATOM 1123 C GLY A 72 2.434 -7.578 -5.037 1.00 0.00 C ATOM 1124 O GLY A 72 2.455 -6.360 -5.202 1.00 0.00 O ATOM 0 H GLY A 72 2.357 -10.466 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.399 -7.880 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.892 -8.949 -5.588 1.00 0.00 H new ATOM 1128 N ALA A 73 2.977 -8.174 -3.985 1.00 0.00 N ATOM 1129 CA ALA A 73 3.655 -7.411 -2.949 1.00 0.00 C ATOM 1130 C ALA A 73 4.803 -6.601 -3.540 1.00 0.00 C ATOM 1131 O ALA A 73 5.035 -5.457 -3.151 1.00 0.00 O ATOM 1132 CB ALA A 73 4.166 -8.339 -1.860 1.00 0.00 C ATOM 0 H ALA A 73 2.961 -9.182 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 73 2.939 -6.717 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.671 -7.754 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.327 -8.875 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.867 -9.054 -2.291 1.00 0.00 H new ATOM 1138 N ALA A 74 5.516 -7.208 -4.483 1.00 0.00 N ATOM 1139 CA ALA A 74 6.644 -6.558 -5.132 1.00 0.00 C ATOM 1140 C ALA A 74 6.210 -5.304 -5.884 1.00 0.00 C ATOM 1141 O ALA A 74 6.844 -4.255 -5.778 1.00 0.00 O ATOM 1142 CB ALA A 74 7.336 -7.527 -6.077 1.00 0.00 C ATOM 0 H ALA A 74 5.329 -8.154 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 74 7.346 -6.254 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.178 -7.029 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.696 -8.389 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.630 -7.860 -6.838 1.00 0.00 H new ATOM 1148 N ARG A 75 5.124 -5.422 -6.644 1.00 0.00 N ATOM 1149 CA ARG A 75 4.619 -4.302 -7.429 1.00 0.00 C ATOM 1150 C ARG A 75 4.007 -3.225 -6.535 1.00 0.00 C ATOM 1151 O ARG A 75 4.076 -2.037 -6.849 1.00 0.00 O ATOM 1152 CB ARG A 75 3.589 -4.788 -8.459 1.00 0.00 C ATOM 1153 CG ARG A 75 2.162 -4.862 -7.931 1.00 0.00 C ATOM 1154 CD ARG A 75 1.193 -5.341 -9.001 1.00 0.00 C ATOM 1155 NE ARG A 75 1.451 -4.710 -10.294 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.508 -4.154 -11.049 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.753 -4.132 -10.637 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.827 -3.615 -12.218 1.00 0.00 N ATOM 0 H ARG A 75 4.579 -6.280 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 75 5.464 -3.860 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.611 -4.121 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.885 -5.776 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.124 -5.538 -7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.854 -3.879 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.272 -6.423 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.172 -5.124 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 75 2.411 -4.695 -10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.003 -4.543 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.473 -3.704 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.795 -3.627 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.104 -3.189 -12.797 1.00 0.00 H new ATOM 1172 N SER A 76 3.413 -3.645 -5.422 1.00 0.00 N ATOM 1173 CA SER A 76 2.789 -2.712 -4.492 1.00 0.00 C ATOM 1174 C SER A 76 3.816 -1.741 -3.921 1.00 0.00 C ATOM 1175 O SER A 76 3.508 -0.582 -3.660 1.00 0.00 O ATOM 1176 CB SER A 76 2.104 -3.473 -3.358 1.00 0.00 C ATOM 1177 OG SER A 76 1.135 -4.375 -3.862 1.00 0.00 O ATOM 0 H SER A 76 3.351 -4.624 -5.143 1.00 0.00 H new ATOM 0 HA SER A 76 2.041 -2.139 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.849 -4.020 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.629 -2.767 -2.677 1.00 0.00 H new ATOM 0 HG SER A 76 0.605 -4.734 -3.120 1.00 0.00 H new ATOM 1183 N LEU A 77 5.035 -2.224 -3.723 1.00 0.00 N ATOM 1184 CA LEU A 77 6.106 -1.387 -3.189 1.00 0.00 C ATOM 1185 C LEU A 77 6.361 -0.193 -4.103 1.00 0.00 C ATOM 1186 O LEU A 77 6.214 0.959 -3.696 1.00 0.00 O ATOM 1187 CB LEU A 77 7.388 -2.206 -3.038 1.00 0.00 C ATOM 1188 CG LEU A 77 7.298 -3.376 -2.060 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.497 -4.293 -2.222 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.209 -2.867 -0.630 1.00 0.00 C ATOM 0 H LEU A 77 5.308 -3.186 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 77 5.798 -1.019 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.672 -2.592 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.189 -1.542 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 77 6.394 -3.944 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.419 -5.122 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.523 -4.682 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.412 -3.734 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.145 -3.713 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.096 -2.278 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.321 -2.244 -0.520 1.00 0.00 H new ATOM 1202 N GLU A 78 6.737 -0.482 -5.345 1.00 0.00 N ATOM 1203 CA GLU A 78 7.003 0.560 -6.329 1.00 0.00 C ATOM 1204 C GLU A 78 5.726 1.330 -6.656 1.00 0.00 C ATOM 1205 O GLU A 78 5.774 2.438 -7.190 1.00 0.00 O ATOM 1206 CB GLU A 78 7.579 -0.058 -7.603 1.00 0.00 C ATOM 1207 CG GLU A 78 8.069 0.966 -8.612 1.00 0.00 C ATOM 1208 CD GLU A 78 8.304 0.366 -9.984 1.00 0.00 C ATOM 1209 OE1 GLU A 78 9.413 -0.153 -10.225 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.376 0.416 -10.820 1.00 0.00 O ATOM 0 H GLU A 78 6.864 -1.432 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 78 7.729 1.255 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.406 -0.715 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.816 -0.680 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.338 1.771 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.996 1.412 -8.251 1.00 0.00 H new ATOM 1217 N GLN A 79 4.587 0.729 -6.327 1.00 0.00 N ATOM 1218 CA GLN A 79 3.287 1.342 -6.580 1.00 0.00 C ATOM 1219 C GLN A 79 3.191 2.711 -5.912 1.00 0.00 C ATOM 1220 O GLN A 79 2.645 3.655 -6.484 1.00 0.00 O ATOM 1221 CB GLN A 79 2.176 0.426 -6.066 1.00 0.00 C ATOM 1222 CG GLN A 79 0.784 0.795 -6.550 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.224 -0.302 -6.265 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.027 -1.076 -5.212 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -1.213 -0.454 -6.982 1.00 0.00 N flip ATOM 0 H GLN A 79 4.538 -0.187 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 79 3.172 1.481 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.395 -0.597 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.184 0.441 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.464 1.717 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.813 0.992 -7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.365 0.164 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.881 -1.198 -6.779 1.00 0.00 H new ATOM 1234 N ILE A 80 3.727 2.812 -4.697 1.00 0.00 N ATOM 1235 CA ILE A 80 3.708 4.068 -3.958 1.00 0.00 C ATOM 1236 C ILE A 80 4.820 4.998 -4.435 1.00 0.00 C ATOM 1237 O ILE A 80 4.562 6.128 -4.849 1.00 0.00 O ATOM 1238 CB ILE A 80 3.860 3.837 -2.436 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.615 3.159 -1.861 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.124 5.154 -1.719 1.00 0.00 C ATOM 1241 CD1 ILE A 80 2.522 1.684 -2.180 1.00 0.00 C ATOM 0 H ILE A 80 4.178 2.040 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 80 2.740 4.531 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 80 4.713 3.177 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.609 3.288 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.728 3.661 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.228 4.971 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.042 5.599 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.291 5.835 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.614 1.273 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.495 1.547 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.390 1.168 -1.770 1.00 0.00 H new ATOM 1253 N GLY A 81 6.055 4.512 -4.371 1.00 0.00 N ATOM 1254 CA GLY A 81 7.190 5.311 -4.794 1.00 0.00 C ATOM 1255 C GLY A 81 7.483 6.446 -3.837 1.00 0.00 C ATOM 1256 O GLY A 81 7.474 7.615 -4.226 1.00 0.00 O ATOM 0 H GLY A 81 6.290 3.579 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.070 4.673 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.996 5.717 -5.787 1.00 0.00 H new ATOM 1260 N GLY A 82 7.743 6.099 -2.582 1.00 0.00 N ATOM 1261 CA GLY A 82 8.042 7.102 -1.580 1.00 0.00 C ATOM 1262 C GLY A 82 9.226 6.718 -0.718 1.00 0.00 C ATOM 1263 O GLY A 82 9.820 5.655 -0.904 1.00 0.00 O ATOM 0 H GLY A 82 7.752 5.138 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.246 8.053 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.168 7.252 -0.947 1.00 0.00 H new ATOM 1267 N GLU A 83 9.571 7.585 0.226 1.00 0.00 N ATOM 1268 CA GLU A 83 10.691 7.335 1.123 1.00 0.00 C ATOM 1269 C GLU A 83 10.383 6.174 2.066 1.00 0.00 C ATOM 1270 O GLU A 83 11.291 5.541 2.604 1.00 0.00 O ATOM 1271 CB GLU A 83 11.014 8.597 1.928 1.00 0.00 C ATOM 1272 CG GLU A 83 12.175 8.427 2.895 1.00 0.00 C ATOM 1273 CD GLU A 83 12.571 9.728 3.565 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.411 10.457 2.997 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.042 10.016 4.660 1.00 0.00 O ATOM 0 H GLU A 83 9.090 8.469 0.390 1.00 0.00 H new ATOM 0 HA GLU A 83 11.559 7.066 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.244 9.408 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.128 8.897 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.904 7.698 3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.034 8.023 2.359 1.00 0.00 H new ATOM 1282 N ARG A 84 9.096 5.899 2.257 1.00 0.00 N ATOM 1283 CA ARG A 84 8.669 4.825 3.146 1.00 0.00 C ATOM 1284 C ARG A 84 8.843 3.453 2.501 1.00 0.00 C ATOM 1285 O ARG A 84 9.102 2.469 3.196 1.00 0.00 O ATOM 1286 CB ARG A 84 7.213 5.031 3.593 1.00 0.00 C ATOM 1287 CG ARG A 84 6.339 5.763 2.581 1.00 0.00 C ATOM 1288 CD ARG A 84 6.136 4.947 1.319 1.00 0.00 C ATOM 1289 NE ARG A 84 5.760 3.568 1.618 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.507 3.123 1.598 1.00 0.00 C ATOM 1291 NH1 ARG A 84 3.509 3.950 1.314 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.250 1.851 1.869 1.00 0.00 N ATOM 0 H ARG A 84 8.332 6.405 1.808 1.00 0.00 H new ATOM 0 HA ARG A 84 9.311 4.859 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.769 4.058 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.209 5.590 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.371 5.985 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.799 6.718 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.362 5.410 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.053 4.954 0.730 1.00 0.00 H new ATOM 0 HE ARG A 84 6.501 2.908 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.702 4.931 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.549 3.605 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.014 1.213 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.289 1.510 1.853 1.00 0.00 H new ATOM 1306 N VAL A 85 8.706 3.380 1.180 1.00 0.00 N ATOM 1307 CA VAL A 85 8.868 2.112 0.479 1.00 0.00 C ATOM 1308 C VAL A 85 10.328 1.686 0.495 1.00 0.00 C ATOM 1309 O VAL A 85 10.639 0.497 0.556 1.00 0.00 O ATOM 1310 CB VAL A 85 8.390 2.183 -0.985 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.453 0.809 -1.629 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.984 2.752 -1.071 1.00 0.00 C ATOM 0 H VAL A 85 8.486 4.175 0.580 1.00 0.00 H new ATOM 0 HA VAL A 85 8.250 1.383 1.004 1.00 0.00 H new ATOM 0 HB VAL A 85 9.056 2.852 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.112 0.876 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.480 0.444 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.812 0.120 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.671 2.791 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.299 2.116 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.972 3.757 -0.650 1.00 0.00 H new ATOM 1322 N ARG A 86 11.219 2.672 0.445 1.00 0.00 N ATOM 1323 CA ARG A 86 12.655 2.411 0.454 1.00 0.00 C ATOM 1324 C ARG A 86 13.056 1.593 1.678 1.00 0.00 C ATOM 1325 O ARG A 86 14.095 0.934 1.682 1.00 0.00 O ATOM 1326 CB ARG A 86 13.436 3.727 0.428 1.00 0.00 C ATOM 1327 CG ARG A 86 14.938 3.539 0.300 1.00 0.00 C ATOM 1328 CD ARG A 86 15.676 4.868 0.361 1.00 0.00 C ATOM 1329 NE ARG A 86 15.511 5.528 1.652 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.448 6.279 2.222 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.617 6.458 1.622 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.217 6.852 3.395 1.00 0.00 N ATOM 0 H ARG A 86 10.971 3.660 0.398 1.00 0.00 H new ATOM 0 HA ARG A 86 12.897 1.835 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.082 4.334 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.224 4.284 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.293 2.888 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.164 3.040 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.737 4.702 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.310 5.522 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 86 14.626 5.406 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.800 6.019 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.333 7.035 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.320 6.717 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.937 7.428 3.832 1.00 0.00 H new ATOM 1346 N ALA A 87 12.223 1.637 2.714 1.00 0.00 N ATOM 1347 CA ALA A 87 12.492 0.899 3.940 1.00 0.00 C ATOM 1348 C ALA A 87 12.098 -0.563 3.785 1.00 0.00 C ATOM 1349 O ALA A 87 12.735 -1.453 4.349 1.00 0.00 O ATOM 1350 CB ALA A 87 11.752 1.528 5.111 1.00 0.00 C ATOM 0 H ALA A 87 11.357 2.176 2.727 1.00 0.00 H new ATOM 0 HA ALA A 87 13.562 0.945 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.963 0.965 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.082 2.559 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.680 1.511 4.915 1.00 0.00 H new ATOM 1356 N ALA A 88 11.042 -0.803 3.014 1.00 0.00 N ATOM 1357 CA ALA A 88 10.560 -2.156 2.777 1.00 0.00 C ATOM 1358 C ALA A 88 11.533 -2.936 1.901 1.00 0.00 C ATOM 1359 O ALA A 88 11.655 -4.155 2.029 1.00 0.00 O ATOM 1360 CB ALA A 88 9.179 -2.122 2.139 1.00 0.00 C ATOM 0 H ALA A 88 10.504 -0.076 2.543 1.00 0.00 H new ATOM 0 HA ALA A 88 10.488 -2.665 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.832 -3.141 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.484 -1.609 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.230 -1.592 1.188 1.00 0.00 H new ATOM 1366 N MET A 89 12.226 -2.228 1.012 1.00 0.00 N ATOM 1367 CA MET A 89 13.189 -2.865 0.121 1.00 0.00 C ATOM 1368 C MET A 89 14.424 -3.286 0.895 1.00 0.00 C ATOM 1369 O MET A 89 14.875 -4.419 0.781 1.00 0.00 O ATOM 1370 CB MET A 89 13.602 -1.927 -1.011 1.00 0.00 C ATOM 1371 CG MET A 89 12.561 -0.887 -1.356 1.00 0.00 C ATOM 1372 SD MET A 89 10.930 -1.593 -1.670 1.00 0.00 S ATOM 1373 CE MET A 89 11.231 -2.517 -3.173 1.00 0.00 C ATOM 0 H MET A 89 12.139 -1.219 0.891 1.00 0.00 H new ATOM 0 HA MET A 89 12.708 -3.743 -0.310 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.527 -1.422 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.818 -2.520 -1.900 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.488 -0.170 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.887 -0.334 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.358 -2.450 -3.822 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.098 -2.103 -3.687 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.421 -3.562 -2.926 1.00 0.00 H new ATOM 1383 N GLU A 90 14.975 -2.357 1.670 1.00 0.00 N ATOM 1384 CA GLU A 90 16.156 -2.638 2.474 1.00 0.00 C ATOM 1385 C GLU A 90 15.903 -3.837 3.377 1.00 0.00 C ATOM 1386 O GLU A 90 16.800 -4.640 3.630 1.00 0.00 O ATOM 1387 CB GLU A 90 16.529 -1.420 3.320 1.00 0.00 C ATOM 1388 CG GLU A 90 16.910 -0.202 2.499 1.00 0.00 C ATOM 1389 CD GLU A 90 18.248 -0.359 1.804 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.306 -1.076 0.782 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.238 0.235 2.280 1.00 0.00 O ATOM 0 H GLU A 90 14.622 -1.404 1.757 1.00 0.00 H new ATOM 0 HA GLU A 90 16.984 -2.866 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.688 -1.165 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.362 -1.683 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.137 -0.016 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.943 0.673 3.148 1.00 0.00 H new ATOM 1398 N LYS A 91 14.668 -3.948 3.858 1.00 0.00 N ATOM 1399 CA LYS A 91 14.288 -5.051 4.733 1.00 0.00 C ATOM 1400 C LYS A 91 14.242 -6.366 3.961 1.00 0.00 C ATOM 1401 O LYS A 91 14.533 -7.426 4.513 1.00 0.00 O ATOM 1402 CB LYS A 91 12.931 -4.765 5.385 1.00 0.00 C ATOM 1403 CG LYS A 91 12.732 -5.457 6.727 1.00 0.00 C ATOM 1404 CD LYS A 91 12.325 -6.912 6.560 1.00 0.00 C ATOM 1405 CE LYS A 91 11.990 -7.555 7.897 1.00 0.00 C ATOM 1406 NZ LYS A 91 11.635 -8.994 7.748 1.00 0.00 N ATOM 0 H LYS A 91 13.916 -3.289 3.657 1.00 0.00 H new ATOM 0 HA LYS A 91 15.041 -5.144 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.825 -3.689 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.139 -5.079 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.655 -5.402 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.968 -4.929 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.461 -6.975 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.134 -7.464 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.842 -7.459 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.159 -7.022 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.071 -9.299 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.082 -9.127 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.504 -9.562 7.696 1.00 0.00 H new ATOM 1420 N LEU A 92 13.892 -6.296 2.678 1.00 0.00 N ATOM 1421 CA LEU A 92 13.821 -7.488 1.855 1.00 0.00 C ATOM 1422 C LEU A 92 15.196 -7.804 1.271 1.00 0.00 C ATOM 1423 O LEU A 92 15.517 -8.960 1.009 1.00 0.00 O ATOM 1424 CB LEU A 92 12.766 -7.295 0.760 1.00 0.00 C ATOM 1425 CG LEU A 92 13.081 -7.948 -0.581 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.990 -9.464 -0.479 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.138 -7.430 -1.656 1.00 0.00 C ATOM 0 H LEU A 92 13.656 -5.430 2.194 1.00 0.00 H new ATOM 0 HA LEU A 92 13.521 -8.341 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.817 -7.690 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.626 -6.226 0.599 1.00 0.00 H new ATOM 0 HG LEU A 92 14.102 -7.686 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.219 -9.908 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.704 -9.822 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.982 -9.749 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.375 -7.905 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.109 -7.663 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.253 -6.350 -1.751 1.00 0.00 H new ATOM 1439 N ALA A 93 16.007 -6.767 1.075 1.00 0.00 N ATOM 1440 CA ALA A 93 17.354 -6.939 0.547 1.00 0.00 C ATOM 1441 C ALA A 93 18.159 -7.899 1.416 1.00 0.00 C ATOM 1442 O ALA A 93 19.061 -8.582 0.932 1.00 0.00 O ATOM 1443 CB ALA A 93 18.059 -5.594 0.443 1.00 0.00 C ATOM 0 H ALA A 93 15.753 -5.800 1.275 1.00 0.00 H new ATOM 0 HA ALA A 93 17.277 -7.369 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.064 -5.740 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.498 -4.940 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.121 -5.138 1.431 1.00 0.00 H new ATOM 1449 N GLU A 94 17.827 -7.943 2.704 1.00 0.00 N ATOM 1450 CA GLU A 94 18.508 -8.835 3.635 1.00 0.00 C ATOM 1451 C GLU A 94 17.941 -10.240 3.499 1.00 0.00 C ATOM 1452 O GLU A 94 18.623 -11.232 3.758 1.00 0.00 O ATOM 1453 CB GLU A 94 18.346 -8.338 5.073 1.00 0.00 C ATOM 1454 CG GLU A 94 18.844 -6.917 5.286 1.00 0.00 C ATOM 1455 CD GLU A 94 20.323 -6.766 4.986 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.143 -7.037 5.889 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.661 -6.376 3.849 1.00 0.00 O ATOM 0 H GLU A 94 17.093 -7.373 3.124 1.00 0.00 H new ATOM 0 HA GLU A 94 19.572 -8.850 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.293 -8.390 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.886 -9.007 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.277 -6.238 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.654 -6.620 6.317 1.00 0.00 H new ATOM 1464 N THR A 95 16.680 -10.306 3.086 1.00 0.00 N ATOM 1465 CA THR A 95 15.996 -11.577 2.880 1.00 0.00 C ATOM 1466 C THR A 95 15.785 -11.810 1.391 1.00 0.00 C ATOM 1467 O THR A 95 14.866 -12.521 0.982 1.00 0.00 O ATOM 1468 CB THR A 95 14.631 -11.610 3.595 1.00 0.00 C ATOM 1469 OG1 THR A 95 13.889 -10.424 3.290 1.00 0.00 O ATOM 1470 CG2 THR A 95 14.809 -11.732 5.100 1.00 0.00 C ATOM 0 H THR A 95 16.107 -9.486 2.886 1.00 0.00 H new ATOM 0 HA THR A 95 16.622 -12.364 3.301 1.00 0.00 H new ATOM 0 HB THR A 95 14.082 -12.482 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.023 -10.454 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.831 -11.753 5.581 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.346 -12.652 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.377 -10.878 5.470 1.00 0.00 H new ATOM 1478 N GLY A 96 16.656 -11.201 0.592 1.00 0.00 N ATOM 1479 CA GLY A 96 16.566 -11.314 -0.851 1.00 0.00 C ATOM 1480 C GLY A 96 16.430 -12.741 -1.336 1.00 0.00 C ATOM 1481 O GLY A 96 17.351 -13.545 -1.201 1.00 0.00 O ATOM 0 H GLY A 96 17.430 -10.626 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.710 -10.737 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.455 -10.869 -1.299 1.00 0.00 H new ATOM 1485 N THR A 97 15.269 -13.049 -1.902 1.00 0.00 N ATOM 1486 CA THR A 97 14.996 -14.378 -2.427 1.00 0.00 C ATOM 1487 C THR A 97 14.204 -14.278 -3.725 1.00 0.00 C ATOM 1488 O THR A 97 13.195 -13.576 -3.793 1.00 0.00 O ATOM 1489 CB THR A 97 14.211 -15.235 -1.416 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.920 -15.298 -0.173 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.994 -16.643 -1.951 1.00 0.00 C ATOM 0 H THR A 97 14.498 -12.390 -2.009 1.00 0.00 H new ATOM 0 HA THR A 97 15.955 -14.860 -2.616 1.00 0.00 H new ATOM 0 HB THR A 97 13.238 -14.769 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.903 -14.418 0.258 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.438 -17.229 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.430 -16.595 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.959 -17.115 -2.135 1.00 0.00 H new ATOM 1499 N GLY A 98 14.664 -14.981 -4.752 1.00 0.00 N ATOM 1500 CA GLY A 98 13.987 -14.941 -6.035 1.00 0.00 C ATOM 1501 C GLY A 98 14.232 -13.636 -6.768 1.00 0.00 C ATOM 1502 O GLY A 98 15.374 -13.199 -6.903 1.00 0.00 O ATOM 0 H GLY A 98 15.491 -15.577 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.329 -15.772 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.916 -15.076 -5.884 1.00 0.00 H new ATOM 1506 N PHE A 99 13.157 -13.009 -7.241 1.00 0.00 N ATOM 1507 CA PHE A 99 13.266 -11.744 -7.963 1.00 0.00 C ATOM 1508 C PHE A 99 13.038 -10.561 -7.024 1.00 0.00 C ATOM 1509 O PHE A 99 13.362 -9.421 -7.358 1.00 0.00 O ATOM 1510 CB PHE A 99 12.260 -11.707 -9.120 1.00 0.00 C ATOM 1511 CG PHE A 99 10.905 -11.167 -8.747 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.137 -11.773 -7.761 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.397 -10.052 -9.392 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.892 -11.273 -7.430 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.153 -9.549 -9.064 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.400 -10.160 -8.083 1.00 0.00 C ATOM 0 H PHE A 99 12.203 -13.355 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 99 14.274 -11.667 -8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.672 -11.098 -9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.140 -12.716 -9.514 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.517 -12.644 -7.248 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.981 -9.569 -10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.304 -11.752 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.770 -8.678 -9.575 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.427 -9.768 -7.826 1.00 0.00 H new ATOM 1526 N ALA A 100 12.475 -10.846 -5.854 1.00 0.00 N ATOM 1527 CA ALA A 100 12.193 -9.815 -4.861 1.00 0.00 C ATOM 1528 C ALA A 100 13.427 -8.966 -4.573 1.00 0.00 C ATOM 1529 O ALA A 100 13.341 -7.744 -4.470 1.00 0.00 O ATOM 1530 CB ALA A 100 11.679 -10.452 -3.579 1.00 0.00 C ATOM 0 H ALA A 100 12.204 -11.787 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 100 11.425 -9.157 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.471 -9.674 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.764 -11.006 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.433 -11.133 -3.184 1.00 0.00 H new ATOM 1536 N ARG A 101 14.573 -9.622 -4.444 1.00 0.00 N ATOM 1537 CA ARG A 101 15.826 -8.928 -4.167 1.00 0.00 C ATOM 1538 C ARG A 101 16.144 -7.918 -5.261 1.00 0.00 C ATOM 1539 O ARG A 101 16.256 -6.719 -4.999 1.00 0.00 O ATOM 1540 CB ARG A 101 16.963 -9.933 -4.057 1.00 0.00 C ATOM 1541 CG ARG A 101 18.274 -9.319 -3.594 1.00 0.00 C ATOM 1542 CD ARG A 101 19.289 -10.388 -3.230 1.00 0.00 C ATOM 1543 NE ARG A 101 20.555 -9.812 -2.784 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.715 -10.461 -2.819 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.770 -11.702 -3.284 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.821 -9.869 -2.391 1.00 0.00 N ATOM 0 H ARG A 101 14.662 -10.635 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 101 15.716 -8.394 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.675 -10.721 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.115 -10.405 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.679 -8.684 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.093 -8.678 -2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.881 -11.021 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.467 -11.028 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 101 20.549 -8.857 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.921 -12.160 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.661 -12.198 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.783 -8.914 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.710 -10.368 -2.418 1.00 0.00 H new ATOM 1560 N LYS A 102 16.297 -8.414 -6.487 1.00 0.00 N ATOM 1561 CA LYS A 102 16.596 -7.562 -7.633 1.00 0.00 C ATOM 1562 C LYS A 102 15.627 -6.386 -7.686 1.00 0.00 C ATOM 1563 O LYS A 102 15.929 -5.335 -8.250 1.00 0.00 O ATOM 1564 CB LYS A 102 16.508 -8.376 -8.927 1.00 0.00 C ATOM 1565 CG LYS A 102 16.637 -7.540 -10.190 1.00 0.00 C ATOM 1566 CD LYS A 102 16.281 -8.349 -11.428 1.00 0.00 C ATOM 1567 CE LYS A 102 16.339 -7.499 -12.687 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.731 -7.083 -13.016 1.00 0.00 N ATOM 0 H LYS A 102 16.218 -9.406 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 102 17.609 -7.174 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.292 -9.133 -8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.555 -8.904 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.984 -6.670 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.657 -7.166 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.968 -9.190 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.280 -8.766 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.921 -8.060 -13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.717 -6.613 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.739 -6.593 -13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.085 -6.442 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.342 -7.923 -13.067 1.00 0.00 H new ATOM 1582 N VAL A 103 14.461 -6.581 -7.084 1.00 0.00 N ATOM 1583 CA VAL A 103 13.430 -5.557 -7.045 1.00 0.00 C ATOM 1584 C VAL A 103 13.719 -4.516 -5.964 1.00 0.00 C ATOM 1585 O VAL A 103 13.665 -3.317 -6.222 1.00 0.00 O ATOM 1586 CB VAL A 103 12.048 -6.195 -6.795 1.00 0.00 C ATOM 1587 CG1 VAL A 103 11.030 -5.151 -6.351 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.565 -6.916 -8.043 1.00 0.00 C ATOM 0 H VAL A 103 14.206 -7.449 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 103 13.427 -5.055 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 103 12.152 -6.922 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.066 -5.631 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.368 -4.683 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.926 -4.391 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.589 -7.361 -7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.485 -6.205 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.275 -7.699 -8.308 1.00 0.00 H new ATOM 1598 N ALA A 104 14.030 -4.981 -4.757 1.00 0.00 N ATOM 1599 CA ALA A 104 14.311 -4.090 -3.639 1.00 0.00 C ATOM 1600 C ALA A 104 15.476 -3.150 -3.931 1.00 0.00 C ATOM 1601 O ALA A 104 15.355 -1.933 -3.800 1.00 0.00 O ATOM 1602 CB ALA A 104 14.608 -4.908 -2.391 1.00 0.00 C ATOM 0 H ALA A 104 14.093 -5.973 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 104 13.426 -3.474 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.818 -4.237 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.745 -5.529 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.474 -5.545 -2.571 1.00 0.00 H new ATOM 1608 N VAL A 105 16.593 -3.732 -4.331 1.00 0.00 N ATOM 1609 CA VAL A 105 17.815 -2.981 -4.613 1.00 0.00 C ATOM 1610 C VAL A 105 17.669 -2.032 -5.800 1.00 0.00 C ATOM 1611 O VAL A 105 17.856 -0.825 -5.666 1.00 0.00 O ATOM 1612 CB VAL A 105 18.999 -3.931 -4.879 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.295 -3.147 -5.017 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.111 -4.967 -3.770 1.00 0.00 C ATOM 0 H VAL A 105 16.684 -4.738 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 105 18.007 -2.383 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 105 18.817 -4.454 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.119 -3.836 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.210 -2.448 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.486 -2.595 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.952 -5.629 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.269 -4.463 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.192 -5.551 -3.724 1.00 0.00 H new ATOM 1624 N ASN A 106 17.341 -2.586 -6.961 1.00 0.00 N ATOM 1625 CA ASN A 106 17.202 -1.791 -8.179 1.00 0.00 C ATOM 1626 C ASN A 106 16.202 -0.647 -8.012 1.00 0.00 C ATOM 1627 O ASN A 106 16.419 0.452 -8.522 1.00 0.00 O ATOM 1628 CB ASN A 106 16.772 -2.685 -9.344 1.00 0.00 C ATOM 1629 CG ASN A 106 16.845 -1.976 -10.684 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.804 -1.068 -10.825 1.00 0.00 O flip ATOM 1631 ND2 ASN A 106 16.051 -2.247 -11.585 1.00 0.00 N flip ATOM 0 H ASN A 106 17.166 -3.583 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 106 18.176 -1.350 -8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 106 17.407 -3.570 -9.371 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.752 -3.030 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.329 -2.952 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.115 -1.767 -12.483 1.00 0.00 H new ATOM 1638 N TYR A 107 15.112 -0.906 -7.298 1.00 0.00 N ATOM 1639 CA TYR A 107 14.078 0.092 -7.091 1.00 0.00 C ATOM 1640 C TYR A 107 14.613 1.288 -6.308 1.00 0.00 C ATOM 1641 O TYR A 107 14.089 2.397 -6.414 1.00 0.00 O ATOM 1642 CB TYR A 107 12.896 -0.553 -6.377 1.00 0.00 C ATOM 1643 CG TYR A 107 11.923 0.428 -5.790 1.00 0.00 C ATOM 1644 CD1 TYR A 107 11.100 1.207 -6.591 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.835 0.571 -4.423 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.213 2.105 -6.031 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.954 1.460 -3.851 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.143 2.227 -4.658 1.00 0.00 C ATOM 1649 OH TYR A 107 9.262 3.117 -4.092 1.00 0.00 O ATOM 0 H TYR A 107 14.925 -1.804 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 107 13.747 0.469 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.367 -1.196 -7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.273 -1.195 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.154 1.110 -7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.471 -0.027 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.578 2.708 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.899 1.556 -2.777 1.00 0.00 H new ATOM 0 HH TYR A 107 8.404 2.671 -3.933 1.00 0.00 H new ATOM 1659 N LEU A 108 15.659 1.051 -5.522 1.00 0.00 N ATOM 1660 CA LEU A 108 16.270 2.101 -4.713 1.00 0.00 C ATOM 1661 C LEU A 108 16.711 3.285 -5.571 1.00 0.00 C ATOM 1662 O LEU A 108 16.898 4.392 -5.064 1.00 0.00 O ATOM 1663 CB LEU A 108 17.474 1.546 -3.950 1.00 0.00 C ATOM 1664 CG LEU A 108 17.163 0.458 -2.919 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.444 -0.035 -2.264 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.192 0.975 -1.867 1.00 0.00 C ATOM 0 H LEU A 108 16.103 0.137 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 108 15.518 2.452 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.184 1.144 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.970 2.372 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 108 16.693 -0.379 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.205 -0.808 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.107 -0.447 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.940 0.796 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.985 0.186 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.632 1.830 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.263 1.280 -2.348 1.00 0.00 H new ATOM 1678 N GLU A 109 16.874 3.049 -6.869 1.00 0.00 N ATOM 1679 CA GLU A 109 17.305 4.097 -7.789 1.00 0.00 C ATOM 1680 C GLU A 109 16.154 5.028 -8.159 1.00 0.00 C ATOM 1681 O GLU A 109 16.306 5.902 -9.014 1.00 0.00 O ATOM 1682 CB GLU A 109 17.903 3.478 -9.053 1.00 0.00 C ATOM 1683 CG GLU A 109 19.113 2.598 -8.784 1.00 0.00 C ATOM 1684 CD GLU A 109 19.823 2.177 -10.055 1.00 0.00 C ATOM 1685 OE1 GLU A 109 20.728 2.914 -10.501 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.473 1.112 -10.607 1.00 0.00 O ATOM 0 H GLU A 109 16.714 2.142 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 109 18.066 4.690 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.138 2.886 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.189 4.276 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.812 3.135 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.797 1.709 -8.238 1.00 0.00 H new ATOM 1693 N THR A 110 15.005 4.842 -7.517 1.00 0.00 N ATOM 1694 CA THR A 110 13.838 5.675 -7.789 1.00 0.00 C ATOM 1695 C THR A 110 13.103 6.044 -6.503 1.00 0.00 C ATOM 1696 O THR A 110 12.848 7.220 -6.245 1.00 0.00 O ATOM 1697 CB THR A 110 12.852 4.976 -8.745 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.401 3.743 -8.170 1.00 0.00 O ATOM 1699 CG2 THR A 110 13.501 4.703 -10.094 1.00 0.00 C ATOM 0 H THR A 110 14.857 4.125 -6.807 1.00 0.00 H new ATOM 0 HA THR A 110 14.211 6.583 -8.263 1.00 0.00 H new ATOM 0 HB THR A 110 12.001 5.640 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 110 13.142 3.313 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.784 4.209 -10.750 1.00 0.00 H new ATOM 0 HG22 THR A 110 13.815 5.645 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 110 14.370 4.059 -9.956 1.00 0.00 H new ATOM 1707 N HIS A 111 12.754 5.025 -5.713 1.00 0.00 N ATOM 1708 CA HIS A 111 12.039 5.214 -4.446 1.00 0.00 C ATOM 1709 C HIS A 111 10.905 6.226 -4.591 1.00 0.00 C ATOM 1710 O HIS A 111 10.750 7.079 -3.694 1.00 0.00 O ATOM 1711 CB HIS A 111 12.991 5.620 -3.307 1.00 0.00 C ATOM 1712 CG HIS A 111 13.810 6.847 -3.576 1.00 0.00 C ATOM 1713 ND1 HIS A 111 15.112 6.798 -4.026 1.00 0.00 N ATOM 1714 CD2 HIS A 111 13.507 8.162 -3.449 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.577 8.028 -4.162 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.623 8.872 -3.819 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.181 6.157 -5.608 1.00 0.00 O ATOM 0 H HIS A 111 12.958 4.050 -5.931 1.00 0.00 H new ATOM 0 HA HIS A 111 11.601 4.251 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.404 5.784 -2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.665 4.788 -3.103 1.00 0.00 H new ATOM 0 HD1 HIS A 111 15.635 5.945 -4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.565 8.574 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.568 8.296 -4.497 1.00 0.00 H new