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 107 TYR OH : rot -120:sc= -1.62! USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.439 K(o=-2.1,f=-2.6) USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= -0.971 F(o=-5.2!,f=-1.8) USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= -0.829 F(o=-5!,f=-1.8) USER MOD Single : A 30 SER OG : rot -102:sc= -1.59! USER MOD Single : A 32 SER OG : rot -34:sc= 1.11 USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.901 F(o=-2.6!,f=-0.9) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -1.39 (180deg=-2.26) USER MOD Single : A 66 SER OG : rot -33:sc= 0.0102 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 68:sc= 0.258 USER MOD Single : A 89 MET CE :methyl -161:sc= -3.95 (180deg=-5.37!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 97 THR OG1 : rot -73:sc= 0.192 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 110 THR OG1 : rot 78:sc= 0.00407 USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.075 -0.193 6.107 1.00 0.00 N ATOM 348 CA ALA A 23 -11.986 -1.377 5.263 1.00 0.00 C ATOM 349 C ALA A 23 -10.546 -1.866 5.152 1.00 0.00 C ATOM 350 O ALA A 23 -10.288 -2.970 4.671 1.00 0.00 O ATOM 351 CB ALA A 23 -12.537 -1.066 3.887 1.00 0.00 C ATOM 0 HA ALA A 23 -12.577 -2.170 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.469 -1.954 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.580 -0.762 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.959 -0.258 3.438 1.00 0.00 H new ATOM 357 N PHE A 24 -9.612 -1.031 5.594 1.00 0.00 N ATOM 358 CA PHE A 24 -8.197 -1.367 5.540 1.00 0.00 C ATOM 359 C PHE A 24 -7.889 -2.636 6.330 1.00 0.00 C ATOM 360 O PHE A 24 -7.232 -3.545 5.827 1.00 0.00 O ATOM 361 CB PHE A 24 -7.360 -0.208 6.081 1.00 0.00 C ATOM 362 CG PHE A 24 -6.004 -0.099 5.445 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.244 -1.230 5.199 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.492 1.135 5.092 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.002 -1.132 4.613 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.249 1.239 4.508 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.501 0.105 4.267 1.00 0.00 C ATOM 0 H PHE A 24 -9.812 -0.114 5.994 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.941 -1.548 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.902 0.725 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.239 -0.329 7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.630 -2.201 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.072 2.027 5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.421 -2.023 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.859 2.209 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.526 0.186 3.809 1.00 0.00 H new ATOM 377 N GLU A 25 -8.346 -2.690 7.572 1.00 0.00 N ATOM 378 CA GLU A 25 -8.103 -3.860 8.410 1.00 0.00 C ATOM 379 C GLU A 25 -8.650 -5.134 7.755 1.00 0.00 C ATOM 380 O GLU A 25 -7.897 -6.083 7.555 1.00 0.00 O ATOM 381 CB GLU A 25 -8.706 -3.701 9.802 1.00 0.00 C ATOM 382 CG GLU A 25 -9.374 -2.355 10.044 1.00 0.00 C ATOM 383 CD GLU A 25 -9.967 -2.235 11.433 1.00 0.00 C ATOM 384 OE1 GLU A 25 -11.104 -2.712 11.636 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.297 -1.662 12.316 1.00 0.00 O ATOM 0 H GLU A 25 -8.882 -1.947 8.021 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.022 -3.948 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.440 -4.491 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.920 -3.842 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.643 -1.560 9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.161 -2.207 9.304 1.00 0.00 H new ATOM 392 N PRO A 26 -9.970 -5.197 7.426 1.00 0.00 N ATOM 393 CA PRO A 26 -10.553 -6.377 6.781 1.00 0.00 C ATOM 394 C PRO A 26 -9.732 -6.803 5.575 1.00 0.00 C ATOM 395 O PRO A 26 -9.727 -7.970 5.184 1.00 0.00 O ATOM 396 CB PRO A 26 -11.951 -5.929 6.334 1.00 0.00 C ATOM 397 CG PRO A 26 -12.069 -4.480 6.679 1.00 0.00 C ATOM 398 CD PRO A 26 -10.983 -4.160 7.668 1.00 0.00 C ATOM 0 HA PRO A 26 -10.581 -7.232 7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.083 -6.084 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.723 -6.511 6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.967 -3.864 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.050 -4.266 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.578 -3.161 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.353 -4.194 8.693 1.00 0.00 H new ATOM 406 N LEU A 27 -9.041 -5.833 4.995 1.00 0.00 N ATOM 407 CA LEU A 27 -8.189 -6.065 3.850 1.00 0.00 C ATOM 408 C LEU A 27 -6.926 -6.791 4.306 1.00 0.00 C ATOM 409 O LEU A 27 -6.450 -7.718 3.651 1.00 0.00 O ATOM 410 CB LEU A 27 -7.861 -4.716 3.213 1.00 0.00 C ATOM 411 CG LEU A 27 -6.443 -4.562 2.672 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.217 -5.472 1.472 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.173 -3.112 2.305 1.00 0.00 C ATOM 0 H LEU A 27 -9.059 -4.863 5.310 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.687 -6.690 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.562 -4.542 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.034 -3.935 3.953 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.744 -4.858 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.199 -5.344 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.367 -6.510 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.923 -5.215 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.158 -3.017 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.882 -2.792 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.286 -2.486 3.190 1.00 0.00 H new ATOM 425 N LEU A 28 -6.399 -6.348 5.443 1.00 0.00 N ATOM 426 CA LEU A 28 -5.212 -6.947 6.041 1.00 0.00 C ATOM 427 C LEU A 28 -5.592 -8.257 6.724 1.00 0.00 C ATOM 428 O LEU A 28 -4.744 -9.106 7.000 1.00 0.00 O ATOM 429 CB LEU A 28 -4.597 -5.965 7.050 1.00 0.00 C ATOM 430 CG LEU A 28 -3.761 -6.590 8.174 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.463 -7.163 7.627 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.477 -5.561 9.258 1.00 0.00 C ATOM 0 H LEU A 28 -6.782 -5.566 5.974 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.474 -7.160 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.968 -5.261 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.403 -5.387 7.502 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.333 -7.407 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.887 -7.601 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.688 -7.932 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.883 -6.368 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.883 -6.020 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.926 -4.724 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.418 -5.201 9.674 1.00 0.00 H new ATOM 444 N GLU A 29 -6.888 -8.412 6.978 1.00 0.00 N ATOM 445 CA GLU A 29 -7.412 -9.603 7.628 1.00 0.00 C ATOM 446 C GLU A 29 -7.334 -10.805 6.691 1.00 0.00 C ATOM 447 O GLU A 29 -7.141 -11.940 7.128 1.00 0.00 O ATOM 448 CB GLU A 29 -8.862 -9.367 8.056 1.00 0.00 C ATOM 449 CG GLU A 29 -9.495 -10.557 8.759 1.00 0.00 C ATOM 450 CD GLU A 29 -10.940 -10.305 9.135 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.178 -9.586 10.129 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.835 -10.826 8.436 1.00 0.00 O ATOM 0 H GLU A 29 -7.598 -7.719 6.740 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.807 -9.812 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.899 -8.503 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.455 -9.119 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.439 -11.431 8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.924 -10.790 9.658 1.00 0.00 H new ATOM 459 N SER A 30 -7.481 -10.540 5.396 1.00 0.00 N ATOM 460 CA SER A 30 -7.436 -11.587 4.381 1.00 0.00 C ATOM 461 C SER A 30 -6.049 -12.216 4.299 1.00 0.00 C ATOM 462 O SER A 30 -5.904 -13.374 3.910 1.00 0.00 O ATOM 463 CB SER A 30 -7.827 -11.013 3.020 1.00 0.00 C ATOM 464 OG SER A 30 -7.957 -12.039 2.052 1.00 0.00 O ATOM 0 H SER A 30 -7.633 -9.603 5.023 1.00 0.00 H new ATOM 0 HA SER A 30 -8.146 -12.364 4.665 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.768 -10.470 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.074 -10.295 2.695 1.00 0.00 H new ATOM 0 HG SER A 30 -7.160 -12.054 1.482 1.00 0.00 H new ATOM 470 N LEU A 31 -5.033 -11.442 4.665 1.00 0.00 N ATOM 471 CA LEU A 31 -3.657 -11.922 4.635 1.00 0.00 C ATOM 472 C LEU A 31 -3.445 -13.028 5.664 1.00 0.00 C ATOM 473 O LEU A 31 -2.406 -13.691 5.675 1.00 0.00 O ATOM 474 CB LEU A 31 -2.687 -10.768 4.903 1.00 0.00 C ATOM 475 CG LEU A 31 -2.708 -9.650 3.859 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.957 -8.430 4.367 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.111 -10.129 2.544 1.00 0.00 C ATOM 0 H LEU A 31 -5.137 -10.479 4.986 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.462 -12.330 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.917 -10.339 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.676 -11.170 4.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.747 -9.370 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.983 -7.646 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.427 -8.068 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.922 -8.700 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.136 -9.318 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.079 -10.440 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.690 -10.972 2.167 1.00 0.00 H new ATOM 489 N SER A 32 -4.437 -13.223 6.528 1.00 0.00 N ATOM 490 CA SER A 32 -4.365 -14.246 7.566 1.00 0.00 C ATOM 491 C SER A 32 -5.013 -15.547 7.101 1.00 0.00 C ATOM 492 O SER A 32 -5.328 -16.418 7.913 1.00 0.00 O ATOM 493 CB SER A 32 -5.043 -13.746 8.846 1.00 0.00 C ATOM 494 OG SER A 32 -4.966 -14.715 9.877 1.00 0.00 O ATOM 0 H SER A 32 -5.303 -12.684 6.529 1.00 0.00 H new ATOM 0 HA SER A 32 -3.314 -14.447 7.773 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.568 -12.822 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.087 -13.512 8.640 1.00 0.00 H new ATOM 0 HG SER A 32 -5.024 -15.612 9.488 1.00 0.00 H new ATOM 500 N ASN A 33 -5.207 -15.676 5.791 1.00 0.00 N ATOM 501 CA ASN A 33 -5.815 -16.874 5.223 1.00 0.00 C ATOM 502 C ASN A 33 -4.758 -17.803 4.640 1.00 0.00 C ATOM 503 O ASN A 33 -3.801 -17.355 4.007 1.00 0.00 O ATOM 504 CB ASN A 33 -6.829 -16.495 4.141 1.00 0.00 C ATOM 505 CG ASN A 33 -8.201 -16.194 4.710 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.241 -15.715 5.947 1.00 0.00 O flip ATOM 507 ND2 ASN A 33 -9.217 -16.394 4.043 1.00 0.00 N flip ATOM 0 H ASN A 33 -4.952 -14.966 5.104 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.329 -17.401 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.466 -15.623 3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.909 -17.310 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.140 -16.764 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.135 -16.190 4.438 1.00 0.00 H new ATOM 514 N GLU A 34 -4.940 -19.101 4.860 1.00 0.00 N ATOM 515 CA GLU A 34 -4.009 -20.100 4.351 1.00 0.00 C ATOM 516 C GLU A 34 -4.040 -20.125 2.829 1.00 0.00 C ATOM 517 O GLU A 34 -3.135 -20.656 2.184 1.00 0.00 O ATOM 518 CB GLU A 34 -4.361 -21.484 4.902 1.00 0.00 C ATOM 519 CG GLU A 34 -4.300 -21.572 6.418 1.00 0.00 C ATOM 520 CD GLU A 34 -5.446 -20.846 7.096 1.00 0.00 C ATOM 521 OE1 GLU A 34 -6.548 -21.425 7.180 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.239 -19.699 7.544 1.00 0.00 O ATOM 0 H GLU A 34 -5.724 -19.485 5.387 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.004 -19.834 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.364 -21.752 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.678 -22.219 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.312 -22.620 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.355 -21.153 6.764 1.00 0.00 H new ATOM 529 N ASP A 35 -5.093 -19.545 2.264 1.00 0.00 N ATOM 530 CA ASP A 35 -5.256 -19.490 0.815 1.00 0.00 C ATOM 531 C ASP A 35 -4.392 -18.386 0.213 1.00 0.00 C ATOM 532 O ASP A 35 -4.450 -17.235 0.643 1.00 0.00 O ATOM 533 CB ASP A 35 -6.724 -19.257 0.457 1.00 0.00 C ATOM 534 CG ASP A 35 -7.635 -20.326 1.026 1.00 0.00 C ATOM 535 OD1 ASP A 35 -7.731 -21.410 0.415 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.252 -20.079 2.084 1.00 0.00 O ATOM 0 H ASP A 35 -5.849 -19.105 2.789 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.934 -20.445 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.036 -18.282 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.831 -19.232 -0.627 1.00 0.00 H new ATOM 541 N TRP A 36 -3.589 -18.745 -0.786 1.00 0.00 N ATOM 542 CA TRP A 36 -2.713 -17.784 -1.446 1.00 0.00 C ATOM 543 C TRP A 36 -3.468 -16.991 -2.509 1.00 0.00 C ATOM 544 O TRP A 36 -3.111 -15.853 -2.816 1.00 0.00 O ATOM 545 CB TRP A 36 -1.517 -18.500 -2.076 1.00 0.00 C ATOM 546 CG TRP A 36 -1.906 -19.574 -3.046 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.142 -20.889 -2.762 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.098 -19.428 -4.459 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.472 -21.566 -3.910 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.451 -20.693 -4.963 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.007 -18.352 -5.346 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.714 -20.911 -6.312 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.267 -18.570 -6.686 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.618 -19.842 -7.157 1.00 0.00 C ATOM 0 H TRP A 36 -3.528 -19.694 -1.155 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.352 -17.085 -0.691 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.894 -17.767 -2.588 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.909 -18.939 -1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.078 -21.331 -1.779 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.697 -22.559 -3.968 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.738 -17.368 -4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.984 -21.891 -6.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.198 -17.746 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.817 -19.980 -8.210 1.00 0.00 H new ATOM 565 N ARG A 37 -4.512 -17.598 -3.066 1.00 0.00 N ATOM 566 CA ARG A 37 -5.316 -16.949 -4.091 1.00 0.00 C ATOM 567 C ARG A 37 -5.997 -15.702 -3.538 1.00 0.00 C ATOM 568 O ARG A 37 -5.955 -14.634 -4.153 1.00 0.00 O ATOM 569 CB ARG A 37 -6.367 -17.922 -4.628 1.00 0.00 C ATOM 570 CG ARG A 37 -7.090 -17.407 -5.858 1.00 0.00 C ATOM 571 CD ARG A 37 -8.244 -18.315 -6.247 1.00 0.00 C ATOM 572 NE ARG A 37 -8.954 -17.823 -7.426 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.003 -18.437 -7.964 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.461 -19.562 -7.430 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.594 -17.927 -9.036 1.00 0.00 N ATOM 0 H ARG A 37 -4.820 -18.540 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.655 -16.649 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.885 -18.870 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.097 -18.126 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.465 -16.402 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.389 -17.332 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.866 -19.318 -6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.940 -18.395 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.626 -16.960 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.008 -19.957 -6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.266 -20.032 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.244 -17.063 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.399 -18.399 -9.448 1.00 0.00 H new ATOM 589 N ILE A 38 -6.624 -15.846 -2.374 1.00 0.00 N ATOM 590 CA ILE A 38 -7.316 -14.733 -1.737 1.00 0.00 C ATOM 591 C ILE A 38 -6.322 -13.732 -1.154 1.00 0.00 C ATOM 592 O ILE A 38 -6.484 -12.521 -1.311 1.00 0.00 O ATOM 593 CB ILE A 38 -8.258 -15.222 -0.617 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.225 -16.279 -1.160 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.025 -14.049 -0.024 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.075 -16.933 -0.090 1.00 0.00 C ATOM 0 H ILE A 38 -6.666 -16.722 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.910 -14.244 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.659 -15.676 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.879 -15.815 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.654 -17.049 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.686 -14.408 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.322 -13.327 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.617 -13.570 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.734 -17.670 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.429 -17.427 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.674 -16.174 0.414 1.00 0.00 H new ATOM 608 N ARG A 39 -5.296 -14.244 -0.481 1.00 0.00 N ATOM 609 CA ARG A 39 -4.275 -13.394 0.125 1.00 0.00 C ATOM 610 C ARG A 39 -3.583 -12.539 -0.933 1.00 0.00 C ATOM 611 O ARG A 39 -3.092 -11.449 -0.639 1.00 0.00 O ATOM 612 CB ARG A 39 -3.243 -14.249 0.871 1.00 0.00 C ATOM 613 CG ARG A 39 -2.100 -13.441 1.468 1.00 0.00 C ATOM 614 CD ARG A 39 -1.205 -14.297 2.350 1.00 0.00 C ATOM 615 NE ARG A 39 -0.837 -15.557 1.710 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.119 -16.506 2.307 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.312 -16.335 3.550 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.167 -17.629 1.660 1.00 0.00 N ATOM 0 H ARG A 39 -5.149 -15.244 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.764 -12.730 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.745 -14.796 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.833 -14.990 0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.507 -13.002 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.505 -12.616 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.301 -13.740 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.717 -14.505 3.290 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.147 -15.719 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.094 -15.474 4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.862 -17.064 4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.163 -17.765 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.717 -18.356 2.118 1.00 0.00 H new ATOM 632 N GLY A 40 -3.551 -13.040 -2.164 1.00 0.00 N ATOM 633 CA GLY A 40 -2.917 -12.311 -3.248 1.00 0.00 C ATOM 634 C GLY A 40 -3.537 -10.944 -3.469 1.00 0.00 C ATOM 635 O GLY A 40 -2.850 -9.925 -3.394 1.00 0.00 O ATOM 0 H GLY A 40 -3.953 -13.939 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.855 -12.194 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.992 -12.893 -4.166 1.00 0.00 H new ATOM 639 N ALA A 41 -4.837 -10.925 -3.746 1.00 0.00 N ATOM 640 CA ALA A 41 -5.559 -9.679 -3.982 1.00 0.00 C ATOM 641 C ALA A 41 -5.360 -8.691 -2.836 1.00 0.00 C ATOM 642 O ALA A 41 -5.159 -7.499 -3.063 1.00 0.00 O ATOM 643 CB ALA A 41 -7.040 -9.962 -4.183 1.00 0.00 C ATOM 0 H ALA A 41 -5.415 -11.763 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.155 -9.224 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.569 -9.025 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.171 -10.619 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.442 -10.445 -3.292 1.00 0.00 H new ATOM 649 N ALA A 42 -5.420 -9.190 -1.603 1.00 0.00 N ATOM 650 CA ALA A 42 -5.244 -8.341 -0.431 1.00 0.00 C ATOM 651 C ALA A 42 -3.916 -7.594 -0.490 1.00 0.00 C ATOM 652 O ALA A 42 -3.879 -6.367 -0.420 1.00 0.00 O ATOM 653 CB ALA A 42 -5.329 -9.173 0.839 1.00 0.00 C ATOM 0 H ALA A 42 -5.588 -10.174 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.046 -7.603 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.196 -8.527 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.304 -9.656 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.548 -9.933 0.829 1.00 0.00 H new ATOM 659 N ALA A 43 -2.830 -8.345 -0.619 1.00 0.00 N ATOM 660 CA ALA A 43 -1.493 -7.764 -0.697 1.00 0.00 C ATOM 661 C ALA A 43 -1.357 -6.849 -1.912 1.00 0.00 C ATOM 662 O ALA A 43 -0.614 -5.869 -1.888 1.00 0.00 O ATOM 663 CB ALA A 43 -0.462 -8.872 -0.779 1.00 0.00 C ATOM 0 H ALA A 43 -2.848 -9.363 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.328 -7.167 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.536 -8.437 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.532 -9.501 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.647 -9.476 -1.667 1.00 0.00 H new ATOM 669 N TRP A 44 -2.085 -7.187 -2.973 1.00 0.00 N ATOM 670 CA TRP A 44 -2.043 -6.430 -4.221 1.00 0.00 C ATOM 671 C TRP A 44 -2.691 -5.053 -4.098 1.00 0.00 C ATOM 672 O TRP A 44 -2.234 -4.092 -4.717 1.00 0.00 O ATOM 673 CB TRP A 44 -2.729 -7.232 -5.333 1.00 0.00 C ATOM 674 CG TRP A 44 -1.780 -8.092 -6.109 1.00 0.00 C ATOM 675 CD1 TRP A 44 -0.960 -9.058 -5.609 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.549 -8.061 -7.523 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.224 -9.626 -6.620 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.569 -9.033 -7.806 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.074 -7.307 -8.576 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.104 -9.269 -9.097 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.613 -7.543 -9.859 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.636 -8.517 -10.110 1.00 0.00 C ATOM 0 H TRP A 44 -2.717 -7.988 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.993 -6.267 -4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.504 -7.861 -4.894 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.226 -6.543 -6.016 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.898 -9.337 -4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.467 -10.368 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.826 -6.554 -8.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.649 -10.018 -9.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.012 -6.967 -10.681 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.296 -8.677 -11.123 1.00 0.00 H new ATOM 693 N ILE A 45 -3.747 -4.953 -3.298 1.00 0.00 N ATOM 694 CA ILE A 45 -4.457 -3.689 -3.131 1.00 0.00 C ATOM 695 C ILE A 45 -4.032 -2.963 -1.858 1.00 0.00 C ATOM 696 O ILE A 45 -4.236 -1.757 -1.721 1.00 0.00 O ATOM 697 CB ILE A 45 -5.981 -3.907 -3.096 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.424 -4.810 -4.252 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.712 -2.575 -3.153 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.127 -4.242 -5.628 1.00 0.00 C ATOM 0 H ILE A 45 -4.129 -5.728 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.197 -3.073 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.234 -4.400 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.929 -5.776 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.496 -4.991 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.788 -2.749 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.423 -1.964 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.450 -2.056 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.470 -4.940 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.644 -3.290 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.053 -4.088 -5.734 1.00 0.00 H new ATOM 712 N ILE A 46 -3.442 -3.701 -0.931 1.00 0.00 N ATOM 713 CA ILE A 46 -3.014 -3.133 0.341 1.00 0.00 C ATOM 714 C ILE A 46 -2.044 -1.965 0.148 1.00 0.00 C ATOM 715 O ILE A 46 -2.096 -0.981 0.885 1.00 0.00 O ATOM 716 CB ILE A 46 -2.375 -4.212 1.246 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.609 -3.872 2.715 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.885 -4.363 0.962 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.381 -5.041 3.648 1.00 0.00 C ATOM 0 H ILE A 46 -3.248 -4.697 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.908 -2.748 0.832 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.852 -5.166 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.947 -3.055 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.631 -3.513 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.466 -5.129 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.741 -4.654 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.381 -3.414 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.565 -4.728 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.062 -5.852 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.352 -5.387 3.553 1.00 0.00 H new ATOM 731 N GLY A 47 -1.177 -2.068 -0.856 1.00 0.00 N ATOM 732 CA GLY A 47 -0.205 -1.016 -1.107 1.00 0.00 C ATOM 733 C GLY A 47 -0.798 0.205 -1.787 1.00 0.00 C ATOM 734 O GLY A 47 -0.158 1.255 -1.851 1.00 0.00 O ATOM 0 H GLY A 47 -1.130 -2.858 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.244 -0.713 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.598 -1.414 -1.728 1.00 0.00 H new ATOM 738 N ASN A 48 -2.019 0.073 -2.292 1.00 0.00 N ATOM 739 CA ASN A 48 -2.684 1.179 -2.976 1.00 0.00 C ATOM 740 C ASN A 48 -3.049 2.303 -2.011 1.00 0.00 C ATOM 741 O ASN A 48 -3.253 3.443 -2.431 1.00 0.00 O ATOM 742 CB ASN A 48 -3.936 0.682 -3.698 1.00 0.00 C ATOM 743 CG ASN A 48 -3.608 0.012 -5.018 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.291 -1.276 -4.968 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -3.633 0.649 -6.071 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.568 -0.785 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.982 1.581 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.467 -0.022 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.608 1.521 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.882 1.638 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.404 0.188 -6.952 1.00 0.00 H new ATOM 752 N PHE A 49 -3.137 1.988 -0.722 1.00 0.00 N ATOM 753 CA PHE A 49 -3.480 2.990 0.280 1.00 0.00 C ATOM 754 C PHE A 49 -2.247 3.779 0.719 1.00 0.00 C ATOM 755 O PHE A 49 -2.333 4.977 0.991 1.00 0.00 O ATOM 756 CB PHE A 49 -4.128 2.326 1.491 1.00 0.00 C ATOM 757 CG PHE A 49 -5.413 1.611 1.179 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.401 0.364 0.572 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.634 2.184 1.498 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.580 -0.296 0.289 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.817 1.528 1.216 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.790 0.286 0.610 1.00 0.00 C ATOM 0 H PHE A 49 -2.976 1.052 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.188 3.685 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.424 1.615 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.321 3.085 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.458 -0.096 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.661 3.154 1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.556 -1.267 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.762 1.985 1.469 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.714 -0.228 0.388 1.00 0.00 H new ATOM 772 N GLN A 50 -1.108 3.091 0.796 1.00 0.00 N ATOM 773 CA GLN A 50 0.157 3.709 1.196 1.00 0.00 C ATOM 774 C GLN A 50 0.130 4.114 2.664 1.00 0.00 C ATOM 775 O GLN A 50 0.358 5.274 3.009 1.00 0.00 O ATOM 776 CB GLN A 50 0.482 4.922 0.320 1.00 0.00 C ATOM 777 CG GLN A 50 0.814 4.558 -1.116 1.00 0.00 C ATOM 778 CD GLN A 50 -0.406 4.534 -2.019 1.00 0.00 C ATOM 779 OE1 GLN A 50 -1.386 5.380 -1.721 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 -0.465 3.766 -2.979 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.035 2.096 0.584 1.00 0.00 H new ATOM 0 HA GLN A 50 0.941 2.965 1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.368 5.604 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.325 5.459 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.536 5.274 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.293 3.579 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.310 3.132 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.289 3.764 -3.580 1.00 0.00 H new ATOM 789 N ASP A 51 -0.153 3.142 3.521 1.00 0.00 N ATOM 790 CA ASP A 51 -0.212 3.377 4.957 1.00 0.00 C ATOM 791 C ASP A 51 0.664 2.381 5.711 1.00 0.00 C ATOM 792 O ASP A 51 1.326 1.541 5.101 1.00 0.00 O ATOM 793 CB ASP A 51 -1.655 3.280 5.444 1.00 0.00 C ATOM 794 CG ASP A 51 -2.511 4.433 4.956 1.00 0.00 C ATOM 795 OD1 ASP A 51 -3.091 4.319 3.856 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.602 5.450 5.675 1.00 0.00 O ATOM 0 H ASP A 51 -0.346 2.179 3.245 1.00 0.00 H new ATOM 0 HA ASP A 51 0.166 4.380 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.088 2.340 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.667 3.259 6.534 1.00 0.00 H new ATOM 801 N GLU A 52 0.660 2.479 7.039 1.00 0.00 N ATOM 802 CA GLU A 52 1.455 1.586 7.879 1.00 0.00 C ATOM 803 C GLU A 52 0.993 0.140 7.728 1.00 0.00 C ATOM 804 O GLU A 52 1.806 -0.784 7.713 1.00 0.00 O ATOM 805 CB GLU A 52 1.362 2.009 9.348 1.00 0.00 C ATOM 806 CG GLU A 52 1.830 3.432 9.611 1.00 0.00 C ATOM 807 CD GLU A 52 1.756 3.804 11.079 1.00 0.00 C ATOM 808 OE1 GLU A 52 0.634 4.040 11.577 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.819 3.856 11.734 1.00 0.00 O ATOM 0 H GLU A 52 0.115 3.168 7.557 1.00 0.00 H new ATOM 0 HA GLU A 52 2.493 1.655 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.328 1.910 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.957 1.324 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.857 3.544 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.219 4.125 9.032 1.00 0.00 H new ATOM 816 N ARG A 53 -0.318 -0.047 7.616 1.00 0.00 N ATOM 817 CA ARG A 53 -0.893 -1.380 7.467 1.00 0.00 C ATOM 818 C ARG A 53 -0.477 -2.011 6.143 1.00 0.00 C ATOM 819 O ARG A 53 -0.680 -3.204 5.926 1.00 0.00 O ATOM 820 CB ARG A 53 -2.419 -1.309 7.538 1.00 0.00 C ATOM 821 CG ARG A 53 -2.959 -0.930 8.906 1.00 0.00 C ATOM 822 CD ARG A 53 -3.277 -2.157 9.743 1.00 0.00 C ATOM 823 NE ARG A 53 -3.682 -1.804 11.099 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.359 -2.516 12.174 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.632 -3.619 12.049 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.760 -2.125 13.377 1.00 0.00 N ATOM 0 H ARG A 53 -1.003 0.708 7.626 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.518 -1.998 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.773 -0.583 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.831 -2.277 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.228 -0.313 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.859 -0.327 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.073 -2.726 9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.402 -2.805 9.783 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.245 -0.963 11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.320 -3.922 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.385 -4.164 12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.317 -1.277 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.511 -2.673 14.201 1.00 0.00 H new ATOM 840 N ALA A 54 0.097 -1.200 5.261 1.00 0.00 N ATOM 841 CA ALA A 54 0.535 -1.673 3.952 1.00 0.00 C ATOM 842 C ALA A 54 2.050 -1.795 3.894 1.00 0.00 C ATOM 843 O ALA A 54 2.622 -2.043 2.833 1.00 0.00 O ATOM 844 CB ALA A 54 0.043 -0.731 2.865 1.00 0.00 C ATOM 0 H ALA A 54 0.270 -0.209 5.429 1.00 0.00 H new ATOM 0 HA ALA A 54 0.109 -2.662 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.375 -1.093 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.046 -0.690 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.447 0.267 3.038 1.00 0.00 H new ATOM 850 N VAL A 55 2.691 -1.615 5.039 1.00 0.00 N ATOM 851 CA VAL A 55 4.142 -1.676 5.117 1.00 0.00 C ATOM 852 C VAL A 55 4.650 -3.082 5.440 1.00 0.00 C ATOM 853 O VAL A 55 5.404 -3.665 4.663 1.00 0.00 O ATOM 854 CB VAL A 55 4.672 -0.685 6.169 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.178 -0.794 6.297 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.269 0.737 5.812 1.00 0.00 C ATOM 0 H VAL A 55 2.228 -1.425 5.928 1.00 0.00 H new ATOM 0 HA VAL A 55 4.518 -1.402 4.131 1.00 0.00 H new ATOM 0 HB VAL A 55 4.228 -0.938 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.532 -0.085 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.445 -1.806 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.642 -0.569 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.652 1.424 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.684 0.999 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.182 0.809 5.775 1.00 0.00 H new ATOM 866 N GLU A 56 4.233 -3.623 6.582 1.00 0.00 N ATOM 867 CA GLU A 56 4.676 -4.953 7.005 1.00 0.00 C ATOM 868 C GLU A 56 4.291 -6.047 6.002 1.00 0.00 C ATOM 869 O GLU A 56 5.140 -6.857 5.629 1.00 0.00 O ATOM 870 CB GLU A 56 4.124 -5.295 8.391 1.00 0.00 C ATOM 871 CG GLU A 56 4.454 -6.708 8.838 1.00 0.00 C ATOM 872 CD GLU A 56 4.328 -6.889 10.337 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.223 -7.237 10.803 1.00 0.00 O ATOM 874 OE2 GLU A 56 5.334 -6.679 11.047 1.00 0.00 O ATOM 0 H GLU A 56 3.592 -3.165 7.230 1.00 0.00 H new ATOM 0 HA GLU A 56 5.765 -4.919 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.524 -4.589 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.042 -5.167 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.789 -7.409 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.470 -6.955 8.530 1.00 0.00 H new ATOM 881 N PRO A 57 3.016 -6.104 5.558 1.00 0.00 N ATOM 882 CA PRO A 57 2.562 -7.122 4.602 1.00 0.00 C ATOM 883 C PRO A 57 3.555 -7.358 3.474 1.00 0.00 C ATOM 884 O PRO A 57 3.971 -8.488 3.230 1.00 0.00 O ATOM 885 CB PRO A 57 1.276 -6.521 4.054 1.00 0.00 C ATOM 886 CG PRO A 57 0.727 -5.726 5.185 1.00 0.00 C ATOM 887 CD PRO A 57 1.917 -5.192 5.943 1.00 0.00 C ATOM 0 HA PRO A 57 2.440 -8.097 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.470 -5.893 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.578 -7.296 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.101 -4.912 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.102 -6.345 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.137 -4.161 5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.745 -5.204 7.019 1.00 0.00 H new ATOM 895 N LEU A 58 3.951 -6.282 2.810 1.00 0.00 N ATOM 896 CA LEU A 58 4.885 -6.370 1.695 1.00 0.00 C ATOM 897 C LEU A 58 6.218 -6.978 2.121 1.00 0.00 C ATOM 898 O LEU A 58 6.849 -7.704 1.355 1.00 0.00 O ATOM 899 CB LEU A 58 5.113 -4.982 1.095 1.00 0.00 C ATOM 900 CG LEU A 58 3.856 -4.119 0.956 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.185 -2.808 0.260 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.767 -4.868 0.203 1.00 0.00 C ATOM 0 H LEU A 58 3.639 -5.335 3.024 1.00 0.00 H new ATOM 0 HA LEU A 58 4.445 -7.026 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.834 -4.449 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.565 -5.099 0.110 1.00 0.00 H new ATOM 0 HG LEU A 58 3.483 -3.894 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.280 -2.207 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.926 -2.262 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.585 -3.014 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.884 -4.235 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.126 -5.128 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.510 -5.778 0.745 1.00 0.00 H new ATOM 914 N ILE A 59 6.638 -6.689 3.346 1.00 0.00 N ATOM 915 CA ILE A 59 7.906 -7.197 3.856 1.00 0.00 C ATOM 916 C ILE A 59 7.916 -8.724 3.952 1.00 0.00 C ATOM 917 O ILE A 59 8.740 -9.387 3.319 1.00 0.00 O ATOM 918 CB ILE A 59 8.224 -6.597 5.242 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.259 -5.066 5.163 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.546 -7.135 5.771 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.297 -4.519 4.203 1.00 0.00 C ATOM 0 H ILE A 59 6.120 -6.107 4.004 1.00 0.00 H new ATOM 0 HA ILE A 59 8.672 -6.893 3.143 1.00 0.00 H new ATOM 0 HB ILE A 59 7.436 -6.892 5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.275 -4.706 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.454 -4.666 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.751 -6.699 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.487 -8.220 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.348 -6.872 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.257 -3.430 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.289 -4.846 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.092 -4.887 3.198 1.00 0.00 H new ATOM 933 N LYS A 60 7.000 -9.276 4.739 1.00 0.00 N ATOM 934 CA LYS A 60 6.916 -10.726 4.925 1.00 0.00 C ATOM 935 C LYS A 60 6.403 -11.435 3.671 1.00 0.00 C ATOM 936 O LYS A 60 6.382 -12.665 3.611 1.00 0.00 O ATOM 937 CB LYS A 60 6.006 -11.048 6.110 1.00 0.00 C ATOM 938 CG LYS A 60 4.634 -10.399 6.018 1.00 0.00 C ATOM 939 CD LYS A 60 3.516 -11.430 6.093 1.00 0.00 C ATOM 940 CE LYS A 60 3.306 -11.937 7.512 1.00 0.00 C ATOM 941 NZ LYS A 60 4.434 -12.788 7.979 1.00 0.00 N ATOM 0 H LYS A 60 6.303 -8.744 5.260 1.00 0.00 H new ATOM 0 HA LYS A 60 7.924 -11.091 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.883 -12.129 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.492 -10.722 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.518 -9.677 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.556 -9.845 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.590 -10.989 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.752 -12.269 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.191 -11.088 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.379 -12.509 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.119 -13.375 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.750 -13.402 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.223 -12.182 8.284 1.00 0.00 H new ATOM 955 N LEU A 61 5.994 -10.659 2.677 1.00 0.00 N ATOM 956 CA LEU A 61 5.452 -11.218 1.440 1.00 0.00 C ATOM 957 C LEU A 61 6.525 -11.486 0.390 1.00 0.00 C ATOM 958 O LEU A 61 6.453 -12.478 -0.335 1.00 0.00 O ATOM 959 CB LEU A 61 4.399 -10.270 0.873 1.00 0.00 C ATOM 960 CG LEU A 61 2.947 -10.623 1.199 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.817 -11.209 2.599 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.067 -9.395 1.061 1.00 0.00 C ATOM 0 H LEU A 61 6.026 -9.640 2.700 1.00 0.00 H new ATOM 0 HA LEU A 61 5.005 -12.181 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.602 -9.266 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.512 -10.237 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 61 2.619 -11.381 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.772 -11.448 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.417 -12.116 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.168 -10.482 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.036 -9.658 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.410 -8.623 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.122 -9.021 0.039 1.00 0.00 H new ATOM 974 N LEU A 62 7.517 -10.609 0.312 1.00 0.00 N ATOM 975 CA LEU A 62 8.585 -10.753 -0.665 1.00 0.00 C ATOM 976 C LEU A 62 9.372 -12.030 -0.415 1.00 0.00 C ATOM 977 O LEU A 62 10.202 -12.436 -1.229 1.00 0.00 O ATOM 978 CB LEU A 62 9.501 -9.534 -0.610 1.00 0.00 C ATOM 979 CG LEU A 62 8.796 -8.206 -0.882 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.446 -7.082 -0.091 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.811 -7.890 -2.369 1.00 0.00 C ATOM 0 H LEU A 62 7.603 -9.790 0.914 1.00 0.00 H new ATOM 0 HA LEU A 62 8.147 -10.819 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.968 -9.489 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.302 -9.663 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 62 7.759 -8.296 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.929 -6.145 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.383 -7.303 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.493 -6.991 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.305 -6.941 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.842 -7.821 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.297 -8.682 -2.914 1.00 0.00 H new ATOM 993 N GLU A 63 9.099 -12.659 0.717 1.00 0.00 N ATOM 994 CA GLU A 63 9.766 -13.893 1.086 1.00 0.00 C ATOM 995 C GLU A 63 8.789 -15.067 1.077 1.00 0.00 C ATOM 996 O GLU A 63 9.196 -16.226 1.137 1.00 0.00 O ATOM 997 CB GLU A 63 10.408 -13.743 2.462 1.00 0.00 C ATOM 998 CG GLU A 63 9.464 -13.208 3.525 1.00 0.00 C ATOM 999 CD GLU A 63 10.096 -13.190 4.904 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.001 -14.214 5.612 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.686 -12.153 5.273 1.00 0.00 O ATOM 0 H GLU A 63 8.415 -12.331 1.399 1.00 0.00 H new ATOM 0 HA GLU A 63 10.544 -14.100 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.789 -14.713 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.265 -13.075 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.155 -12.198 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.563 -13.821 3.549 1.00 0.00 H new ATOM 1008 N ASP A 64 7.497 -14.756 1.004 1.00 0.00 N ATOM 1009 CA ASP A 64 6.462 -15.784 0.980 1.00 0.00 C ATOM 1010 C ASP A 64 6.628 -16.685 -0.235 1.00 0.00 C ATOM 1011 O ASP A 64 6.289 -17.868 -0.204 1.00 0.00 O ATOM 1012 CB ASP A 64 5.072 -15.143 0.976 1.00 0.00 C ATOM 1013 CG ASP A 64 3.998 -16.082 1.494 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.826 -17.170 0.905 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.331 -15.731 2.490 1.00 0.00 O ATOM 0 H ASP A 64 7.143 -13.800 0.960 1.00 0.00 H new ATOM 0 HA ASP A 64 6.565 -16.392 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.089 -14.242 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.821 -14.833 -0.039 1.00 0.00 H new ATOM 1020 N ASP A 65 7.164 -16.103 -1.296 1.00 0.00 N ATOM 1021 CA ASP A 65 7.401 -16.819 -2.548 1.00 0.00 C ATOM 1022 C ASP A 65 6.167 -17.605 -2.992 1.00 0.00 C ATOM 1023 O ASP A 65 6.285 -18.644 -3.641 1.00 0.00 O ATOM 1024 CB ASP A 65 8.594 -17.765 -2.399 1.00 0.00 C ATOM 1025 CG ASP A 65 9.896 -17.021 -2.176 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.371 -16.358 -3.122 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.441 -17.100 -1.055 1.00 0.00 O ATOM 0 H ASP A 65 7.448 -15.124 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 65 7.620 -16.076 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.417 -18.440 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.679 -18.382 -3.294 1.00 0.00 H new ATOM 1032 N SER A 66 4.985 -17.100 -2.652 1.00 0.00 N ATOM 1033 CA SER A 66 3.741 -17.769 -3.022 1.00 0.00 C ATOM 1034 C SER A 66 3.318 -17.398 -4.441 1.00 0.00 C ATOM 1035 O SER A 66 2.350 -17.944 -4.972 1.00 0.00 O ATOM 1036 CB SER A 66 2.631 -17.403 -2.040 1.00 0.00 C ATOM 1037 OG SER A 66 1.478 -18.195 -2.254 1.00 0.00 O ATOM 0 H SER A 66 4.862 -16.236 -2.124 1.00 0.00 H new ATOM 0 HA SER A 66 3.915 -18.844 -2.984 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.985 -17.540 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.377 -16.349 -2.150 1.00 0.00 H new ATOM 0 HG SER A 66 1.396 -18.402 -3.208 1.00 0.00 H new ATOM 1043 N GLY A 67 4.049 -16.471 -5.049 1.00 0.00 N ATOM 1044 CA GLY A 67 3.731 -16.040 -6.399 1.00 0.00 C ATOM 1045 C GLY A 67 2.808 -14.838 -6.416 1.00 0.00 C ATOM 1046 O GLY A 67 3.254 -13.707 -6.590 1.00 0.00 O ATOM 0 H GLY A 67 4.857 -16.009 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.653 -15.795 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.263 -16.862 -6.940 1.00 0.00 H new ATOM 1050 N PHE A 68 1.514 -15.086 -6.236 1.00 0.00 N ATOM 1051 CA PHE A 68 0.522 -14.016 -6.222 1.00 0.00 C ATOM 1052 C PHE A 68 0.725 -13.138 -4.990 1.00 0.00 C ATOM 1053 O PHE A 68 0.674 -11.911 -5.068 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.889 -14.619 -6.218 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.002 -13.680 -6.629 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.772 -12.332 -6.898 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.295 -14.165 -6.748 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.814 -11.502 -7.274 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.336 -13.338 -7.123 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.094 -12.006 -7.386 1.00 0.00 C ATOM 0 H PHE A 68 1.128 -16.020 -6.098 1.00 0.00 H new ATOM 0 HA PHE A 68 0.641 -13.401 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.899 -15.480 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.103 -14.991 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.773 -11.932 -6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.492 -15.207 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.625 -10.459 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.337 -13.734 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.906 -11.357 -7.680 1.00 0.00 H new ATOM 1070 N VAL A 69 0.951 -13.789 -3.853 1.00 0.00 N ATOM 1071 CA VAL A 69 1.167 -13.093 -2.590 1.00 0.00 C ATOM 1072 C VAL A 69 2.546 -12.436 -2.539 1.00 0.00 C ATOM 1073 O VAL A 69 2.695 -11.332 -2.018 1.00 0.00 O ATOM 1074 CB VAL A 69 1.014 -14.053 -1.394 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.135 -13.304 -0.078 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.311 -14.796 -1.473 1.00 0.00 C ATOM 0 H VAL A 69 0.989 -14.806 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 69 0.407 -12.315 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 69 1.821 -14.785 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.023 -14.004 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.113 -12.826 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.356 -12.544 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.402 -15.469 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.132 -14.079 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.350 -15.373 -2.397 1.00 0.00 H new ATOM 1086 N ARG A 70 3.549 -13.121 -3.082 1.00 0.00 N ATOM 1087 CA ARG A 70 4.915 -12.603 -3.088 1.00 0.00 C ATOM 1088 C ARG A 70 5.062 -11.453 -4.081 1.00 0.00 C ATOM 1089 O ARG A 70 5.368 -10.326 -3.691 1.00 0.00 O ATOM 1090 CB ARG A 70 5.904 -13.722 -3.423 1.00 0.00 C ATOM 1091 CG ARG A 70 7.357 -13.367 -3.134 1.00 0.00 C ATOM 1092 CD ARG A 70 8.031 -12.732 -4.340 1.00 0.00 C ATOM 1093 NE ARG A 70 8.057 -13.634 -5.488 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.157 -14.236 -5.929 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.317 -14.038 -5.318 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.095 -15.042 -6.980 1.00 0.00 N ATOM 0 H ARG A 70 3.442 -14.035 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 70 5.137 -12.220 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.637 -14.612 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.805 -13.977 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.403 -12.681 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.901 -14.266 -2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.504 -11.817 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.050 -12.448 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 70 7.181 -13.812 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.367 -13.422 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.159 -14.502 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.203 -15.200 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.939 -15.504 -7.319 1.00 0.00 H new ATOM 1110 N SER A 71 4.848 -11.746 -5.363 1.00 0.00 N ATOM 1111 CA SER A 71 4.952 -10.733 -6.411 1.00 0.00 C ATOM 1112 C SER A 71 4.107 -9.513 -6.070 1.00 0.00 C ATOM 1113 O SER A 71 4.407 -8.397 -6.497 1.00 0.00 O ATOM 1114 CB SER A 71 4.512 -11.304 -7.758 1.00 0.00 C ATOM 1115 OG SER A 71 4.656 -10.345 -8.791 1.00 0.00 O ATOM 0 H SER A 71 4.602 -12.677 -5.700 1.00 0.00 H new ATOM 0 HA SER A 71 5.997 -10.429 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.105 -12.188 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.472 -11.625 -7.698 1.00 0.00 H new ATOM 0 HG SER A 71 4.369 -10.736 -9.643 1.00 0.00 H new ATOM 1121 N GLY A 72 3.046 -9.734 -5.302 1.00 0.00 N ATOM 1122 CA GLY A 72 2.175 -8.645 -4.909 1.00 0.00 C ATOM 1123 C GLY A 72 2.913 -7.578 -4.135 1.00 0.00 C ATOM 1124 O GLY A 72 2.749 -6.386 -4.396 1.00 0.00 O ATOM 0 H GLY A 72 2.774 -10.650 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.726 -8.202 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.359 -9.035 -4.300 1.00 0.00 H new ATOM 1128 N ALA A 73 3.724 -8.006 -3.177 1.00 0.00 N ATOM 1129 CA ALA A 73 4.500 -7.080 -2.370 1.00 0.00 C ATOM 1130 C ALA A 73 5.430 -6.258 -3.249 1.00 0.00 C ATOM 1131 O ALA A 73 5.533 -5.041 -3.097 1.00 0.00 O ATOM 1132 CB ALA A 73 5.299 -7.837 -1.323 1.00 0.00 C ATOM 0 H ALA A 73 3.860 -8.989 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 73 3.813 -6.402 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.876 -7.131 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.618 -8.390 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.977 -8.534 -1.816 1.00 0.00 H new ATOM 1138 N ALA A 74 6.103 -6.935 -4.173 1.00 0.00 N ATOM 1139 CA ALA A 74 7.026 -6.277 -5.082 1.00 0.00 C ATOM 1140 C ALA A 74 6.294 -5.260 -5.943 1.00 0.00 C ATOM 1141 O ALA A 74 6.887 -4.303 -6.442 1.00 0.00 O ATOM 1142 CB ALA A 74 7.716 -7.307 -5.957 1.00 0.00 C ATOM 0 H ALA A 74 6.024 -7.943 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 74 7.778 -5.751 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.406 -6.805 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.269 -8.006 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.970 -7.851 -6.536 1.00 0.00 H new ATOM 1148 N ARG A 75 4.999 -5.488 -6.111 1.00 0.00 N ATOM 1149 CA ARG A 75 4.159 -4.617 -6.917 1.00 0.00 C ATOM 1150 C ARG A 75 3.677 -3.412 -6.114 1.00 0.00 C ATOM 1151 O ARG A 75 3.615 -2.296 -6.628 1.00 0.00 O ATOM 1152 CB ARG A 75 2.958 -5.409 -7.443 1.00 0.00 C ATOM 1153 CG ARG A 75 2.029 -4.604 -8.336 1.00 0.00 C ATOM 1154 CD ARG A 75 0.709 -5.329 -8.557 1.00 0.00 C ATOM 1155 NE ARG A 75 -0.061 -4.739 -9.650 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.153 -5.013 -10.934 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.108 -5.865 -11.282 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -0.592 -4.440 -11.869 1.00 0.00 N ATOM 0 H ARG A 75 4.505 -6.277 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 75 4.752 -4.246 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.321 -6.273 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.389 -5.792 -6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.840 -3.630 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.512 -4.422 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.904 -6.379 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.120 -5.298 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.804 -4.081 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.680 -6.311 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.271 -6.074 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.330 -3.788 -11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.427 -4.651 -12.853 1.00 0.00 H new ATOM 1172 N SER A 76 3.346 -3.648 -4.848 1.00 0.00 N ATOM 1173 CA SER A 76 2.852 -2.593 -3.968 1.00 0.00 C ATOM 1174 C SER A 76 3.922 -1.546 -3.674 1.00 0.00 C ATOM 1175 O SER A 76 3.618 -0.360 -3.553 1.00 0.00 O ATOM 1176 CB SER A 76 2.347 -3.198 -2.659 1.00 0.00 C ATOM 1177 OG SER A 76 1.293 -4.118 -2.892 1.00 0.00 O ATOM 0 H SER A 76 3.411 -4.565 -4.407 1.00 0.00 H new ATOM 0 HA SER A 76 2.032 -2.093 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.167 -3.702 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.000 -2.404 -1.998 1.00 0.00 H new ATOM 0 HG SER A 76 1.643 -4.904 -3.361 1.00 0.00 H new ATOM 1183 N LEU A 77 5.173 -1.981 -3.555 1.00 0.00 N ATOM 1184 CA LEU A 77 6.271 -1.061 -3.264 1.00 0.00 C ATOM 1185 C LEU A 77 6.333 0.064 -4.287 1.00 0.00 C ATOM 1186 O LEU A 77 6.217 1.239 -3.938 1.00 0.00 O ATOM 1187 CB LEU A 77 7.602 -1.806 -3.238 1.00 0.00 C ATOM 1188 CG LEU A 77 7.728 -2.885 -2.163 1.00 0.00 C ATOM 1189 CD1 LEU A 77 9.116 -3.488 -2.201 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.434 -2.315 -0.782 1.00 0.00 C ATOM 0 H LEU A 77 5.452 -2.957 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 77 6.085 -0.626 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.760 -2.268 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.403 -1.080 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 77 6.994 -3.665 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.200 -4.256 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.293 -3.933 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.856 -2.709 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.530 -3.103 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.141 -1.516 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.419 -1.917 -0.761 1.00 0.00 H new ATOM 1202 N GLU A 78 6.520 -0.299 -5.552 1.00 0.00 N ATOM 1203 CA GLU A 78 6.582 0.682 -6.627 1.00 0.00 C ATOM 1204 C GLU A 78 5.344 1.570 -6.604 1.00 0.00 C ATOM 1205 O GLU A 78 5.390 2.732 -7.011 1.00 0.00 O ATOM 1206 CB GLU A 78 6.698 -0.018 -7.981 1.00 0.00 C ATOM 1207 CG GLU A 78 7.940 -0.886 -8.114 1.00 0.00 C ATOM 1208 CD GLU A 78 8.108 -1.452 -9.511 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.708 -0.763 -10.364 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.637 -2.583 -9.755 1.00 0.00 O ATOM 0 H GLU A 78 6.631 -1.266 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 78 7.465 1.304 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.814 -0.637 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.704 0.734 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.820 -0.297 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.884 -1.706 -7.398 1.00 0.00 H new ATOM 1217 N GLN A 79 4.238 1.011 -6.128 1.00 0.00 N ATOM 1218 CA GLN A 79 2.982 1.747 -6.044 1.00 0.00 C ATOM 1219 C GLN A 79 3.041 2.821 -4.964 1.00 0.00 C ATOM 1220 O GLN A 79 2.513 3.919 -5.139 1.00 0.00 O ATOM 1221 CB GLN A 79 1.815 0.797 -5.776 1.00 0.00 C ATOM 1222 CG GLN A 79 1.437 -0.056 -6.974 1.00 0.00 C ATOM 1223 CD GLN A 79 0.287 -0.999 -6.680 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.611 -2.214 -6.251 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.879 -0.641 -6.843 1.00 0.00 N flip ATOM 0 H GLN A 79 4.185 0.049 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 79 2.823 2.237 -7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.073 0.144 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.947 1.379 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.166 0.593 -7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.304 -0.635 -7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.081 0.302 -7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.643 -1.287 -6.647 1.00 0.00 H new ATOM 1234 N ILE A 80 3.684 2.498 -3.843 1.00 0.00 N ATOM 1235 CA ILE A 80 3.801 3.441 -2.737 1.00 0.00 C ATOM 1236 C ILE A 80 4.843 4.515 -3.037 1.00 0.00 C ATOM 1237 O ILE A 80 4.520 5.701 -3.100 1.00 0.00 O ATOM 1238 CB ILE A 80 4.172 2.722 -1.421 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.155 1.620 -1.111 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.234 3.723 -0.274 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.533 0.760 0.075 1.00 0.00 C ATOM 0 H ILE A 80 4.129 1.595 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 80 2.826 3.914 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 80 5.154 2.264 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.184 2.077 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.043 0.984 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.496 3.204 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.988 4.480 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.262 4.202 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.766 0.002 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.489 0.274 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.616 1.384 0.965 1.00 0.00 H new ATOM 1253 N GLY A 81 6.089 4.089 -3.235 1.00 0.00 N ATOM 1254 CA GLY A 81 7.165 5.022 -3.535 1.00 0.00 C ATOM 1255 C GLY A 81 7.352 6.083 -2.466 1.00 0.00 C ATOM 1256 O GLY A 81 6.511 6.966 -2.304 1.00 0.00 O ATOM 0 H GLY A 81 6.374 3.111 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.096 4.467 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.960 5.508 -4.489 1.00 0.00 H new ATOM 1260 N GLY A 82 8.464 6.003 -1.737 1.00 0.00 N ATOM 1261 CA GLY A 82 8.737 6.973 -0.693 1.00 0.00 C ATOM 1262 C GLY A 82 9.766 6.484 0.308 1.00 0.00 C ATOM 1263 O GLY A 82 10.393 5.444 0.108 1.00 0.00 O ATOM 0 H GLY A 82 9.179 5.284 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.090 7.899 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.810 7.207 -0.170 1.00 0.00 H new ATOM 1267 N GLU A 83 9.938 7.240 1.390 1.00 0.00 N ATOM 1268 CA GLU A 83 10.895 6.885 2.433 1.00 0.00 C ATOM 1269 C GLU A 83 10.515 5.558 3.082 1.00 0.00 C ATOM 1270 O GLU A 83 11.377 4.731 3.379 1.00 0.00 O ATOM 1271 CB GLU A 83 10.955 7.986 3.494 1.00 0.00 C ATOM 1272 CG GLU A 83 11.892 7.671 4.649 1.00 0.00 C ATOM 1273 CD GLU A 83 11.933 8.777 5.685 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.016 8.834 6.531 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.885 9.586 5.653 1.00 0.00 O ATOM 0 H GLU A 83 9.425 8.104 1.567 1.00 0.00 H new ATOM 0 HA GLU A 83 11.878 6.780 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.273 8.916 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.952 8.155 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.576 6.743 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.897 7.504 4.261 1.00 0.00 H new ATOM 1282 N ARG A 84 9.220 5.367 3.302 1.00 0.00 N ATOM 1283 CA ARG A 84 8.719 4.144 3.911 1.00 0.00 C ATOM 1284 C ARG A 84 9.120 2.932 3.079 1.00 0.00 C ATOM 1285 O ARG A 84 9.553 1.913 3.616 1.00 0.00 O ATOM 1286 CB ARG A 84 7.191 4.208 4.077 1.00 0.00 C ATOM 1287 CG ARG A 84 6.405 4.141 2.770 1.00 0.00 C ATOM 1288 CD ARG A 84 6.649 5.359 1.894 1.00 0.00 C ATOM 1289 NE ARG A 84 6.416 6.609 2.612 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.974 7.721 2.032 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.697 7.734 0.734 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.803 8.822 2.750 1.00 0.00 N ATOM 0 H ARG A 84 8.497 6.047 3.066 1.00 0.00 H new ATOM 0 HA ARG A 84 9.165 4.044 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.874 3.386 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.933 5.133 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.686 3.240 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.341 4.061 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.674 5.340 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.995 5.315 1.023 1.00 0.00 H new ATOM 0 HE ARG A 84 6.603 6.630 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.823 6.889 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.358 8.589 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.011 8.817 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.464 9.674 2.304 1.00 0.00 H new ATOM 1306 N VAL A 85 8.976 3.054 1.762 1.00 0.00 N ATOM 1307 CA VAL A 85 9.333 1.975 0.852 1.00 0.00 C ATOM 1308 C VAL A 85 10.843 1.807 0.788 1.00 0.00 C ATOM 1309 O VAL A 85 11.346 0.717 0.522 1.00 0.00 O ATOM 1310 CB VAL A 85 8.805 2.235 -0.572 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.682 0.930 -1.340 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.472 2.960 -0.528 1.00 0.00 C ATOM 0 H VAL A 85 8.614 3.890 1.303 1.00 0.00 H new ATOM 0 HA VAL A 85 8.873 1.066 1.240 1.00 0.00 H new ATOM 0 HB VAL A 85 9.520 2.873 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.308 1.132 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.660 0.453 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.990 0.267 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.118 3.133 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.745 2.352 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.594 3.916 -0.019 1.00 0.00 H new ATOM 1322 N ARG A 86 11.557 2.902 1.036 1.00 0.00 N ATOM 1323 CA ARG A 86 13.015 2.894 1.004 1.00 0.00 C ATOM 1324 C ARG A 86 13.571 1.840 1.952 1.00 0.00 C ATOM 1325 O ARG A 86 14.627 1.261 1.703 1.00 0.00 O ATOM 1326 CB ARG A 86 13.562 4.276 1.373 1.00 0.00 C ATOM 1327 CG ARG A 86 14.558 4.826 0.365 1.00 0.00 C ATOM 1328 CD ARG A 86 15.872 4.062 0.400 1.00 0.00 C ATOM 1329 NE ARG A 86 16.756 4.444 -0.699 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.080 4.337 -0.653 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.675 3.876 0.440 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.812 4.692 -1.702 1.00 0.00 N ATOM 0 H ARG A 86 11.147 3.808 1.262 1.00 0.00 H new ATOM 0 HA ARG A 86 13.332 2.647 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.730 4.974 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.041 4.219 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.131 4.770 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.744 5.879 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.374 4.247 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.671 2.992 0.348 1.00 0.00 H new ATOM 0 HE ARG A 86 16.333 4.814 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.116 3.602 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.691 3.795 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.358 5.047 -2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.828 4.610 -1.666 1.00 0.00 H new ATOM 1346 N ALA A 87 12.849 1.595 3.038 1.00 0.00 N ATOM 1347 CA ALA A 87 13.264 0.610 4.028 1.00 0.00 C ATOM 1348 C ALA A 87 12.795 -0.784 3.634 1.00 0.00 C ATOM 1349 O ALA A 87 13.319 -1.788 4.118 1.00 0.00 O ATOM 1350 CB ALA A 87 12.730 0.983 5.403 1.00 0.00 C ATOM 0 H ALA A 87 11.971 2.066 3.256 1.00 0.00 H new ATOM 0 HA ALA A 87 14.353 0.603 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.049 0.237 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.117 1.960 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.641 1.019 5.373 1.00 0.00 H new ATOM 1356 N ALA A 88 11.799 -0.836 2.756 1.00 0.00 N ATOM 1357 CA ALA A 88 11.242 -2.101 2.295 1.00 0.00 C ATOM 1358 C ALA A 88 12.242 -2.877 1.443 1.00 0.00 C ATOM 1359 O ALA A 88 12.491 -4.056 1.693 1.00 0.00 O ATOM 1360 CB ALA A 88 9.959 -1.858 1.514 1.00 0.00 C ATOM 0 H ALA A 88 11.359 -0.011 2.348 1.00 0.00 H new ATOM 0 HA ALA A 88 11.016 -2.705 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.553 -2.811 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.231 -1.361 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.172 -1.227 0.651 1.00 0.00 H new ATOM 1366 N MET A 89 12.816 -2.215 0.439 1.00 0.00 N ATOM 1367 CA MET A 89 13.776 -2.864 -0.439 1.00 0.00 C ATOM 1368 C MET A 89 15.096 -3.101 0.281 1.00 0.00 C ATOM 1369 O MET A 89 15.825 -4.040 -0.033 1.00 0.00 O ATOM 1370 CB MET A 89 14.008 -2.022 -1.690 1.00 0.00 C ATOM 1371 CG MET A 89 14.554 -0.636 -1.400 1.00 0.00 C ATOM 1372 SD MET A 89 13.319 0.658 -1.608 1.00 0.00 S ATOM 1373 CE MET A 89 14.346 2.019 -2.157 1.00 0.00 C ATOM 0 H MET A 89 12.632 -1.236 0.218 1.00 0.00 H new ATOM 0 HA MET A 89 13.365 -3.830 -0.733 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.702 -2.546 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.067 -1.926 -2.232 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.936 -0.607 -0.379 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.397 -0.437 -2.061 1.00 0.00 H new ATOM 0 HE1 MET A 89 13.815 2.959 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.272 2.031 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.577 1.897 -3.215 1.00 0.00 H new ATOM 1383 N GLU A 90 15.398 -2.243 1.250 1.00 0.00 N ATOM 1384 CA GLU A 90 16.628 -2.369 2.022 1.00 0.00 C ATOM 1385 C GLU A 90 16.575 -3.592 2.928 1.00 0.00 C ATOM 1386 O GLU A 90 17.596 -4.232 3.182 1.00 0.00 O ATOM 1387 CB GLU A 90 16.869 -1.110 2.855 1.00 0.00 C ATOM 1388 CG GLU A 90 17.391 0.064 2.044 1.00 0.00 C ATOM 1389 CD GLU A 90 17.694 1.275 2.904 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.764 1.292 3.548 1.00 0.00 O ATOM 1391 OE2 GLU A 90 16.861 2.206 2.934 1.00 0.00 O ATOM 0 H GLU A 90 14.809 -1.455 1.519 1.00 0.00 H new ATOM 0 HA GLU A 90 17.455 -2.492 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.936 -0.821 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.582 -1.339 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.295 -0.237 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.655 0.335 1.287 1.00 0.00 H new ATOM 1398 N LYS A 91 15.379 -3.914 3.410 1.00 0.00 N ATOM 1399 CA LYS A 91 15.194 -5.065 4.285 1.00 0.00 C ATOM 1400 C LYS A 91 15.118 -6.359 3.481 1.00 0.00 C ATOM 1401 O LYS A 91 15.429 -7.436 3.992 1.00 0.00 O ATOM 1402 CB LYS A 91 13.928 -4.893 5.133 1.00 0.00 C ATOM 1403 CG LYS A 91 13.652 -6.059 6.070 1.00 0.00 C ATOM 1404 CD LYS A 91 14.738 -6.199 7.126 1.00 0.00 C ATOM 1405 CE LYS A 91 14.523 -7.432 7.986 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.598 -7.597 9.003 1.00 0.00 N ATOM 0 H LYS A 91 14.524 -3.394 3.209 1.00 0.00 H new ATOM 0 HA LYS A 91 16.057 -5.127 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.018 -3.980 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.073 -4.762 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.687 -5.915 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.584 -6.981 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.713 -6.258 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.749 -5.311 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.558 -7.361 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.487 -8.316 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.413 -8.450 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.517 -7.691 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.616 -6.765 9.627 1.00 0.00 H new ATOM 1420 N LEU A 92 14.708 -6.251 2.222 1.00 0.00 N ATOM 1421 CA LEU A 92 14.600 -7.406 1.360 1.00 0.00 C ATOM 1422 C LEU A 92 15.941 -7.678 0.688 1.00 0.00 C ATOM 1423 O LEU A 92 16.283 -8.821 0.401 1.00 0.00 O ATOM 1424 CB LEU A 92 13.494 -7.165 0.331 1.00 0.00 C ATOM 1425 CG LEU A 92 13.679 -7.872 -1.003 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.591 -9.382 -0.832 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.644 -7.383 -2.002 1.00 0.00 C ATOM 0 H LEU A 92 14.446 -5.369 1.781 1.00 0.00 H new ATOM 0 HA LEU A 92 14.338 -8.287 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.544 -7.482 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.419 -6.093 0.148 1.00 0.00 H new ATOM 0 HG LEU A 92 14.672 -7.635 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.726 -9.866 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.370 -9.717 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.614 -9.646 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.786 -7.896 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.644 -7.593 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.758 -6.309 -2.148 1.00 0.00 H new ATOM 1439 N ALA A 93 16.697 -6.611 0.444 1.00 0.00 N ATOM 1440 CA ALA A 93 18.011 -6.730 -0.175 1.00 0.00 C ATOM 1441 C ALA A 93 18.917 -7.633 0.653 1.00 0.00 C ATOM 1442 O ALA A 93 19.846 -8.248 0.129 1.00 0.00 O ATOM 1443 CB ALA A 93 18.641 -5.356 -0.351 1.00 0.00 C ATOM 0 H ALA A 93 16.421 -5.655 0.666 1.00 0.00 H new ATOM 0 HA ALA A 93 17.888 -7.182 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.622 -5.462 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.003 -4.742 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.750 -4.878 0.623 1.00 0.00 H new ATOM 1449 N GLU A 94 18.644 -7.704 1.953 1.00 0.00 N ATOM 1450 CA GLU A 94 19.420 -8.550 2.849 1.00 0.00 C ATOM 1451 C GLU A 94 18.945 -9.988 2.723 1.00 0.00 C ATOM 1452 O GLU A 94 19.707 -10.934 2.924 1.00 0.00 O ATOM 1453 CB GLU A 94 19.272 -8.077 4.294 1.00 0.00 C ATOM 1454 CG GLU A 94 19.276 -6.567 4.437 1.00 0.00 C ATOM 1455 CD GLU A 94 20.575 -5.940 3.972 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.502 -5.813 4.799 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.665 -5.578 2.780 1.00 0.00 O ATOM 0 H GLU A 94 17.892 -7.186 2.407 1.00 0.00 H new ATOM 0 HA GLU A 94 20.472 -8.488 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.342 -8.471 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.084 -8.493 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.449 -6.149 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.103 -6.304 5.481 1.00 0.00 H new ATOM 1464 N THR A 95 17.667 -10.134 2.385 1.00 0.00 N ATOM 1465 CA THR A 95 17.061 -11.444 2.202 1.00 0.00 C ATOM 1466 C THR A 95 16.745 -11.670 0.730 1.00 0.00 C ATOM 1467 O THR A 95 15.844 -12.435 0.384 1.00 0.00 O ATOM 1468 CB THR A 95 15.766 -11.590 3.021 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.884 -10.498 2.736 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.069 -11.635 4.512 1.00 0.00 C ATOM 0 H THR A 95 17.029 -9.353 2.232 1.00 0.00 H new ATOM 0 HA THR A 95 17.777 -12.188 2.552 1.00 0.00 H new ATOM 0 HB THR A 95 15.285 -12.527 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.061 -10.597 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.138 -11.738 5.069 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.717 -12.485 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.570 -10.714 4.810 1.00 0.00 H new ATOM 1478 N GLY A 96 17.500 -10.987 -0.127 1.00 0.00 N ATOM 1479 CA GLY A 96 17.300 -11.098 -1.558 1.00 0.00 C ATOM 1480 C GLY A 96 17.176 -12.532 -2.018 1.00 0.00 C ATOM 1481 O GLY A 96 18.155 -13.279 -2.023 1.00 0.00 O ATOM 0 H GLY A 96 18.251 -10.355 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.400 -10.551 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.135 -10.625 -2.076 1.00 0.00 H new ATOM 1485 N THR A 97 15.965 -12.917 -2.402 1.00 0.00 N ATOM 1486 CA THR A 97 15.704 -14.273 -2.860 1.00 0.00 C ATOM 1487 C THR A 97 14.699 -14.285 -4.006 1.00 0.00 C ATOM 1488 O THR A 97 13.636 -13.669 -3.922 1.00 0.00 O ATOM 1489 CB THR A 97 15.169 -15.149 -1.712 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.063 -14.499 -1.075 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.257 -15.430 -0.688 1.00 0.00 C ATOM 0 H THR A 97 15.148 -12.307 -2.405 1.00 0.00 H new ATOM 0 HA THR A 97 16.651 -14.680 -3.213 1.00 0.00 H new ATOM 0 HB THR A 97 14.839 -16.098 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.391 -13.752 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.852 -16.050 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.084 -15.952 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.616 -14.489 -0.271 1.00 0.00 H new ATOM 1499 N GLY A 98 15.045 -14.992 -5.076 1.00 0.00 N ATOM 1500 CA GLY A 98 14.167 -15.087 -6.227 1.00 0.00 C ATOM 1501 C GLY A 98 13.888 -13.747 -6.883 1.00 0.00 C ATOM 1502 O GLY A 98 14.775 -12.899 -6.990 1.00 0.00 O ATOM 0 H GLY A 98 15.923 -15.504 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.614 -15.757 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.223 -15.536 -5.919 1.00 0.00 H new ATOM 1506 N PHE A 99 12.646 -13.563 -7.323 1.00 0.00 N ATOM 1507 CA PHE A 99 12.224 -12.333 -7.988 1.00 0.00 C ATOM 1508 C PHE A 99 12.207 -11.146 -7.023 1.00 0.00 C ATOM 1509 O PHE A 99 12.379 -9.998 -7.436 1.00 0.00 O ATOM 1510 CB PHE A 99 10.837 -12.544 -8.608 1.00 0.00 C ATOM 1511 CG PHE A 99 10.107 -11.278 -8.955 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.514 -10.491 -10.020 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.006 -10.879 -8.216 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.837 -9.330 -10.339 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.324 -9.720 -8.529 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.741 -8.944 -9.592 1.00 0.00 C ATOM 0 H PHE A 99 11.906 -14.259 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 99 12.944 -12.099 -8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.945 -13.145 -9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.227 -13.121 -7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.370 -10.789 -10.607 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.676 -11.483 -7.383 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.164 -8.725 -11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.467 -9.421 -7.944 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.211 -8.036 -9.839 1.00 0.00 H new ATOM 1526 N ALA A 100 12.006 -11.428 -5.740 1.00 0.00 N ATOM 1527 CA ALA A 100 11.961 -10.382 -4.721 1.00 0.00 C ATOM 1528 C ALA A 100 13.214 -9.510 -4.750 1.00 0.00 C ATOM 1529 O ALA A 100 13.130 -8.286 -4.730 1.00 0.00 O ATOM 1530 CB ALA A 100 11.783 -10.995 -3.341 1.00 0.00 C ATOM 0 H ALA A 100 11.871 -12.373 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 100 11.106 -9.744 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.751 -10.203 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.851 -11.560 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.619 -11.662 -3.129 1.00 0.00 H new ATOM 1536 N ARG A 101 14.376 -10.147 -4.795 1.00 0.00 N ATOM 1537 CA ARG A 101 15.645 -9.425 -4.815 1.00 0.00 C ATOM 1538 C ARG A 101 15.718 -8.440 -5.977 1.00 0.00 C ATOM 1539 O ARG A 101 15.884 -7.238 -5.772 1.00 0.00 O ATOM 1540 CB ARG A 101 16.796 -10.410 -4.926 1.00 0.00 C ATOM 1541 CG ARG A 101 18.165 -9.759 -4.814 1.00 0.00 C ATOM 1542 CD ARG A 101 19.242 -10.781 -4.497 1.00 0.00 C ATOM 1543 NE ARG A 101 19.347 -11.807 -5.530 1.00 0.00 N ATOM 1544 CZ ARG A 101 19.926 -12.989 -5.342 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.451 -13.294 -4.162 1.00 0.00 N ATOM 1546 NH2 ARG A 101 19.978 -13.867 -6.334 1.00 0.00 N ATOM 0 H ARG A 101 14.468 -11.163 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 101 15.717 -8.862 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.696 -11.163 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.727 -10.931 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.406 -9.253 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.144 -8.997 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.201 -10.275 -4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.023 -11.253 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 101 18.953 -11.605 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.411 -12.621 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.895 -14.202 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.574 -13.636 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.422 -14.774 -6.190 1.00 0.00 H new ATOM 1560 N LYS A 102 15.607 -8.967 -7.198 1.00 0.00 N ATOM 1561 CA LYS A 102 15.663 -8.151 -8.410 1.00 0.00 C ATOM 1562 C LYS A 102 14.798 -6.904 -8.268 1.00 0.00 C ATOM 1563 O LYS A 102 15.043 -5.883 -8.910 1.00 0.00 O ATOM 1564 CB LYS A 102 15.193 -8.975 -9.615 1.00 0.00 C ATOM 1565 CG LYS A 102 15.129 -8.187 -10.915 1.00 0.00 C ATOM 1566 CD LYS A 102 16.510 -7.984 -11.516 1.00 0.00 C ATOM 1567 CE LYS A 102 17.034 -9.264 -12.148 1.00 0.00 C ATOM 1568 NZ LYS A 102 18.404 -9.089 -12.704 1.00 0.00 N ATOM 0 H LYS A 102 15.477 -9.963 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 102 16.695 -7.837 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.866 -9.822 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.205 -9.383 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.495 -8.713 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.666 -7.218 -10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.469 -7.196 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.200 -7.650 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.044 -10.059 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.358 -9.580 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.725 -9.984 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.391 -8.348 -13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.055 -8.813 -11.942 1.00 0.00 H new ATOM 1582 N VAL A 103 13.791 -7.004 -7.415 1.00 0.00 N ATOM 1583 CA VAL A 103 12.875 -5.904 -7.168 1.00 0.00 C ATOM 1584 C VAL A 103 13.519 -4.818 -6.309 1.00 0.00 C ATOM 1585 O VAL A 103 13.578 -3.660 -6.710 1.00 0.00 O ATOM 1586 CB VAL A 103 11.602 -6.419 -6.478 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.749 -5.266 -5.966 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.809 -7.296 -7.433 1.00 0.00 C ATOM 0 H VAL A 103 13.587 -7.846 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 103 12.618 -5.467 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 103 11.897 -7.018 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.855 -5.661 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.322 -4.681 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.458 -4.629 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.909 -7.656 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.529 -6.716 -8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.419 -8.146 -7.738 1.00 0.00 H new ATOM 1598 N ALA A 104 13.999 -5.201 -5.129 1.00 0.00 N ATOM 1599 CA ALA A 104 14.630 -4.257 -4.211 1.00 0.00 C ATOM 1600 C ALA A 104 15.762 -3.478 -4.876 1.00 0.00 C ATOM 1601 O ALA A 104 15.844 -2.257 -4.755 1.00 0.00 O ATOM 1602 CB ALA A 104 15.158 -4.994 -2.990 1.00 0.00 C ATOM 0 H ALA A 104 13.963 -6.161 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 104 13.869 -3.538 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.627 -4.283 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.333 -5.492 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.893 -5.736 -3.302 1.00 0.00 H new ATOM 1608 N VAL A 105 16.630 -4.198 -5.578 1.00 0.00 N ATOM 1609 CA VAL A 105 17.781 -3.592 -6.242 1.00 0.00 C ATOM 1610 C VAL A 105 17.375 -2.641 -7.368 1.00 0.00 C ATOM 1611 O VAL A 105 17.771 -1.476 -7.375 1.00 0.00 O ATOM 1612 CB VAL A 105 18.720 -4.670 -6.825 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.946 -4.028 -7.457 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.131 -5.658 -5.743 1.00 0.00 C ATOM 0 H VAL A 105 16.559 -5.208 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 105 18.300 -3.020 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 105 18.181 -5.213 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.595 -4.804 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.634 -3.360 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.488 -3.459 -6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.793 -6.411 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.652 -5.128 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.243 -6.143 -5.337 1.00 0.00 H new ATOM 1624 N ASN A 106 16.595 -3.140 -8.316 1.00 0.00 N ATOM 1625 CA ASN A 106 16.165 -2.339 -9.459 1.00 0.00 C ATOM 1626 C ASN A 106 15.309 -1.144 -9.041 1.00 0.00 C ATOM 1627 O ASN A 106 15.493 -0.036 -9.546 1.00 0.00 O ATOM 1628 CB ASN A 106 15.384 -3.209 -10.445 1.00 0.00 C ATOM 1629 CG ASN A 106 14.936 -2.436 -11.671 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.854 -1.850 -11.687 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.766 -2.436 -12.707 1.00 0.00 N ATOM 0 H ASN A 106 16.245 -4.098 -8.318 1.00 0.00 H new ATOM 0 HA ASN A 106 17.065 -1.950 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.006 -4.049 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.511 -3.627 -9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.516 -1.936 -13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.653 -2.936 -12.650 1.00 0.00 H new ATOM 1638 N TYR A 107 14.375 -1.373 -8.124 1.00 0.00 N ATOM 1639 CA TYR A 107 13.475 -0.338 -7.666 1.00 0.00 C ATOM 1640 C TYR A 107 14.234 0.822 -7.028 1.00 0.00 C ATOM 1641 O TYR A 107 13.769 1.961 -7.035 1.00 0.00 O ATOM 1642 CB TYR A 107 12.487 -0.957 -6.688 1.00 0.00 C ATOM 1643 CG TYR A 107 11.663 0.041 -5.933 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.815 0.926 -6.582 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.747 0.091 -4.562 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.067 1.840 -5.868 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.005 0.998 -3.834 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.165 1.873 -4.492 1.00 0.00 C ATOM 1649 OH TYR A 107 9.424 2.778 -3.774 1.00 0.00 O ATOM 0 H TYR A 107 14.226 -2.281 -7.683 1.00 0.00 H new ATOM 0 HA TYR A 107 12.936 0.077 -8.518 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.820 -1.623 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.036 -1.572 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.739 0.900 -7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.405 -0.592 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.409 2.525 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.081 1.023 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 107 10.024 3.362 -3.265 1.00 0.00 H new ATOM 1659 N LEU A 108 15.405 0.519 -6.478 1.00 0.00 N ATOM 1660 CA LEU A 108 16.241 1.526 -5.832 1.00 0.00 C ATOM 1661 C LEU A 108 16.570 2.676 -6.783 1.00 0.00 C ATOM 1662 O LEU A 108 16.906 3.776 -6.345 1.00 0.00 O ATOM 1663 CB LEU A 108 17.537 0.887 -5.333 1.00 0.00 C ATOM 1664 CG LEU A 108 17.464 0.267 -3.936 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.568 -0.763 -3.754 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.565 1.347 -2.871 1.00 0.00 C ATOM 0 H LEU A 108 15.799 -0.422 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 108 15.681 1.932 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.838 0.114 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.321 1.644 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 108 16.502 -0.235 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.502 -1.194 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.456 -1.552 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.538 -0.282 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.511 0.890 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.513 1.874 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.743 2.053 -2.989 1.00 0.00 H new ATOM 1678 N GLU A 109 16.467 2.416 -8.082 1.00 0.00 N ATOM 1679 CA GLU A 109 16.765 3.428 -9.091 1.00 0.00 C ATOM 1680 C GLU A 109 15.628 4.437 -9.227 1.00 0.00 C ATOM 1681 O GLU A 109 15.670 5.317 -10.087 1.00 0.00 O ATOM 1682 CB GLU A 109 17.033 2.763 -10.443 1.00 0.00 C ATOM 1683 CG GLU A 109 18.252 1.854 -10.443 1.00 0.00 C ATOM 1684 CD GLU A 109 18.498 1.211 -11.793 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.669 0.375 -12.212 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.521 1.540 -12.430 1.00 0.00 O ATOM 0 H GLU A 109 16.180 1.514 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 109 17.656 3.965 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.157 2.182 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.167 3.537 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.131 2.430 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.120 1.075 -9.692 1.00 0.00 H new ATOM 1693 N THR A 110 14.614 4.310 -8.377 1.00 0.00 N ATOM 1694 CA THR A 110 13.472 5.216 -8.414 1.00 0.00 C ATOM 1695 C THR A 110 13.441 6.110 -7.177 1.00 0.00 C ATOM 1696 O THR A 110 13.783 7.291 -7.245 1.00 0.00 O ATOM 1697 CB THR A 110 12.142 4.446 -8.516 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.266 3.384 -9.469 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.014 5.377 -8.936 1.00 0.00 C ATOM 0 H THR A 110 14.560 3.590 -7.656 1.00 0.00 H new ATOM 0 HA THR A 110 13.588 5.835 -9.303 1.00 0.00 H new ATOM 0 HB THR A 110 11.908 4.031 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.745 2.633 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.083 4.814 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.905 6.172 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.245 5.813 -9.908 1.00 0.00 H new ATOM 1707 N HIS A 111 13.031 5.540 -6.047 1.00 0.00 N ATOM 1708 CA HIS A 111 12.958 6.288 -4.796 1.00 0.00 C ATOM 1709 C HIS A 111 14.167 5.988 -3.913 1.00 0.00 C ATOM 1710 O HIS A 111 14.094 5.028 -3.115 1.00 0.00 O ATOM 1711 CB HIS A 111 11.667 5.951 -4.047 1.00 0.00 C ATOM 1712 CG HIS A 111 10.426 6.356 -4.780 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.755 7.536 -4.534 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.733 5.729 -5.758 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.703 7.616 -5.329 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.668 6.533 -6.082 1.00 0.00 N ATOM 1717 OXT HIS A 111 15.176 6.716 -4.022 1.00 0.00 O ATOM 0 H HIS A 111 12.745 4.564 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 111 12.960 7.351 -5.037 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.635 4.878 -3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.682 6.443 -3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.973 4.774 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 111 7.993 8.429 -5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 111 7.964 6.326 -6.790 1.00 0.00 H new