USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 634 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 86 HIS : no HD1:sc= -0.0018 K(o=1.4,f=-2.5) USER MOD Set 1.2: A 91 THR OG1 : rot -116:sc= 1.35 USER MOD Single : A 27 GLN : amide:sc= 0.07 X(o=0.07,f=-0.24) USER MOD Single : A 33 HIS : no HE2:sc= -0.554 K(o=-0.55,f=-2.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 44 HIS : no HD1:sc= 0.39 K(o=0.62,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.013) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0332 (180deg=-0.215) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= 0.951 (180deg=0.0427) USER MOD Single : A 78 SER OG : rot 113:sc= 0.337 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.83) USER MOD Single : A 87 SER OG : rot 33:sc= 0.298 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 43:sc= 0.158 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 11.862 2.254 -3.374 1.00 32.04 N ATOM 329 CA LEU A 21 10.646 1.606 -3.899 1.00 3.21 C ATOM 330 C LEU A 21 9.444 2.005 -3.029 1.00 50.25 C ATOM 331 O LEU A 21 8.430 2.477 -3.543 1.00 2.23 O ATOM 332 CB LEU A 21 10.879 0.050 -3.913 1.00 25.41 C ATOM 333 CG LEU A 21 9.833 -0.866 -4.663 1.00 44.13 C ATOM 334 CD1 LEU A 21 8.535 -1.107 -3.849 1.00 22.32 C ATOM 335 CD2 LEU A 21 9.517 -0.314 -6.073 1.00 14.54 C ATOM 0 HA LEU A 21 10.433 1.929 -4.918 1.00 3.21 H new ATOM 0 HB2 LEU A 21 11.858 -0.134 -4.357 1.00 25.41 H new ATOM 0 HB3 LEU A 21 10.930 -0.286 -2.877 1.00 25.41 H new ATOM 0 HG LEU A 21 10.306 -1.842 -4.773 1.00 44.13 H new ATOM 0 HD11 LEU A 21 7.860 -1.743 -4.421 1.00 22.32 H new ATOM 0 HD12 LEU A 21 8.782 -1.595 -2.906 1.00 22.32 H new ATOM 0 HD13 LEU A 21 8.050 -0.152 -3.647 1.00 22.32 H new ATOM 0 HD21 LEU A 21 8.794 -0.965 -6.565 1.00 14.54 H new ATOM 0 HD22 LEU A 21 9.101 0.690 -5.986 1.00 14.54 H new ATOM 0 HD23 LEU A 21 10.433 -0.277 -6.663 1.00 14.54 H new ATOM 347 N LEU A 22 9.591 1.825 -1.699 1.00 44.55 N ATOM 348 CA LEU A 22 8.521 2.092 -0.715 1.00 70.42 C ATOM 349 C LEU A 22 8.091 3.557 -0.724 1.00 61.12 C ATOM 350 O LEU A 22 6.916 3.860 -0.504 1.00 23.51 O ATOM 351 CB LEU A 22 8.993 1.705 0.704 1.00 13.52 C ATOM 352 CG LEU A 22 9.325 0.208 0.915 1.00 44.31 C ATOM 353 CD1 LEU A 22 9.762 -0.049 2.373 1.00 43.52 C ATOM 354 CD2 LEU A 22 8.131 -0.686 0.495 1.00 53.24 C ATOM 0 H LEU A 22 10.457 1.490 -1.277 1.00 44.55 H new ATOM 0 HA LEU A 22 7.661 1.485 -0.999 1.00 70.42 H new ATOM 0 HB2 LEU A 22 9.879 2.292 0.945 1.00 13.52 H new ATOM 0 HB3 LEU A 22 8.218 1.990 1.415 1.00 13.52 H new ATOM 0 HG LEU A 22 10.164 -0.059 0.273 1.00 44.31 H new ATOM 0 HD11 LEU A 22 9.991 -1.107 2.503 1.00 43.52 H new ATOM 0 HD12 LEU A 22 10.648 0.545 2.597 1.00 43.52 H new ATOM 0 HD13 LEU A 22 8.955 0.233 3.050 1.00 43.52 H new ATOM 0 HD21 LEU A 22 8.388 -1.734 0.652 1.00 53.24 H new ATOM 0 HD22 LEU A 22 7.258 -0.432 1.096 1.00 53.24 H new ATOM 0 HD23 LEU A 22 7.907 -0.522 -0.559 1.00 53.24 H new ATOM 366 N GLU A 23 9.076 4.439 -0.996 1.00 1.12 N ATOM 367 CA GLU A 23 8.894 5.892 -1.094 1.00 71.21 C ATOM 368 C GLU A 23 7.718 6.233 -2.021 1.00 62.11 C ATOM 369 O GLU A 23 6.848 7.002 -1.649 1.00 70.52 O ATOM 370 CB GLU A 23 10.199 6.534 -1.631 1.00 51.22 C ATOM 371 CG GLU A 23 10.285 8.072 -1.484 1.00 74.54 C ATOM 372 CD GLU A 23 10.526 8.582 -0.047 1.00 22.50 C ATOM 373 OE1 GLU A 23 10.823 7.780 0.873 1.00 12.21 O ATOM 374 OE2 GLU A 23 10.450 9.813 0.158 1.00 71.40 O ATOM 0 H GLU A 23 10.040 4.148 -1.156 1.00 1.12 H new ATOM 0 HA GLU A 23 8.670 6.289 -0.104 1.00 71.21 H new ATOM 0 HB2 GLU A 23 11.046 6.087 -1.110 1.00 51.22 H new ATOM 0 HB3 GLU A 23 10.303 6.279 -2.686 1.00 51.22 H new ATOM 0 HG2 GLU A 23 11.090 8.438 -2.122 1.00 74.54 H new ATOM 0 HG3 GLU A 23 9.359 8.509 -1.857 1.00 74.54 H new ATOM 381 N ARG A 24 7.689 5.548 -3.177 1.00 25.53 N ATOM 382 CA ARG A 24 6.684 5.755 -4.241 1.00 31.42 C ATOM 383 C ARG A 24 5.249 5.540 -3.718 1.00 20.24 C ATOM 384 O ARG A 24 4.320 6.256 -4.098 1.00 50.44 O ATOM 385 CB ARG A 24 6.960 4.773 -5.413 1.00 45.24 C ATOM 386 CG ARG A 24 8.412 4.772 -5.936 1.00 3.35 C ATOM 387 CD ARG A 24 8.882 6.152 -6.419 1.00 75.52 C ATOM 388 NE ARG A 24 8.025 6.680 -7.497 1.00 34.13 N ATOM 389 CZ ARG A 24 8.460 7.292 -8.608 1.00 14.31 C ATOM 390 NH1 ARG A 24 9.758 7.475 -8.823 1.00 51.41 N ATOM 391 NH2 ARG A 24 7.588 7.729 -9.498 1.00 72.11 N ATOM 0 H ARG A 24 8.371 4.824 -3.404 1.00 25.53 H new ATOM 0 HA ARG A 24 6.766 6.786 -4.585 1.00 31.42 H new ATOM 0 HB2 ARG A 24 6.706 3.764 -5.089 1.00 45.24 H new ATOM 0 HB3 ARG A 24 6.293 5.020 -6.239 1.00 45.24 H new ATOM 0 HG2 ARG A 24 9.076 4.426 -5.144 1.00 3.35 H new ATOM 0 HG3 ARG A 24 8.495 4.059 -6.756 1.00 3.35 H new ATOM 0 HD2 ARG A 24 8.882 6.849 -5.581 1.00 75.52 H new ATOM 0 HD3 ARG A 24 9.910 6.081 -6.775 1.00 75.52 H new ATOM 0 HE ARG A 24 7.017 6.570 -7.388 1.00 34.13 H new ATOM 0 HH11 ARG A 24 10.439 7.148 -8.138 1.00 51.41 H new ATOM 0 HH12 ARG A 24 10.073 7.942 -9.673 1.00 51.41 H new ATOM 0 HH21 ARG A 24 6.589 7.600 -9.339 1.00 72.11 H new ATOM 0 HH22 ARG A 24 7.914 8.195 -10.345 1.00 72.11 H new ATOM 405 N LEU A 25 5.101 4.551 -2.824 1.00 22.01 N ATOM 406 CA LEU A 25 3.798 4.144 -2.280 1.00 74.12 C ATOM 407 C LEU A 25 3.438 5.033 -1.074 1.00 33.22 C ATOM 408 O LEU A 25 2.278 5.408 -0.899 1.00 20.24 O ATOM 409 CB LEU A 25 3.818 2.636 -1.872 1.00 24.13 C ATOM 410 CG LEU A 25 3.967 1.590 -3.042 1.00 63.24 C ATOM 411 CD1 LEU A 25 5.380 1.582 -3.662 1.00 61.11 C ATOM 412 CD2 LEU A 25 3.566 0.176 -2.589 1.00 12.24 C ATOM 0 H LEU A 25 5.884 4.010 -2.457 1.00 22.01 H new ATOM 0 HA LEU A 25 3.037 4.271 -3.050 1.00 74.12 H new ATOM 0 HB2 LEU A 25 4.639 2.483 -1.172 1.00 24.13 H new ATOM 0 HB3 LEU A 25 2.896 2.416 -1.334 1.00 24.13 H new ATOM 0 HG LEU A 25 3.278 1.911 -3.823 1.00 63.24 H new ATOM 0 HD11 LEU A 25 5.422 0.843 -4.462 1.00 61.11 H new ATOM 0 HD12 LEU A 25 5.605 2.568 -4.068 1.00 61.11 H new ATOM 0 HD13 LEU A 25 6.112 1.329 -2.895 1.00 61.11 H new ATOM 0 HD21 LEU A 25 3.681 -0.519 -3.421 1.00 12.24 H new ATOM 0 HD22 LEU A 25 4.206 -0.137 -1.764 1.00 12.24 H new ATOM 0 HD23 LEU A 25 2.527 0.180 -2.261 1.00 12.24 H new ATOM 424 N ARG A 26 4.470 5.398 -0.285 1.00 30.35 N ATOM 425 CA ARG A 26 4.313 6.160 0.966 1.00 33.30 C ATOM 426 C ARG A 26 3.848 7.594 0.665 1.00 23.42 C ATOM 427 O ARG A 26 3.002 8.129 1.379 1.00 1.31 O ATOM 428 CB ARG A 26 5.650 6.139 1.771 1.00 21.44 C ATOM 429 CG ARG A 26 5.570 6.697 3.230 1.00 10.12 C ATOM 430 CD ARG A 26 6.019 8.163 3.367 1.00 51.13 C ATOM 431 NE ARG A 26 7.469 8.328 3.157 1.00 60.33 N ATOM 432 CZ ARG A 26 8.117 9.502 3.045 1.00 52.15 C ATOM 433 NH1 ARG A 26 7.461 10.657 3.088 1.00 10.43 N ATOM 434 NH2 ARG A 26 9.427 9.514 2.888 1.00 22.41 N ATOM 0 H ARG A 26 5.440 5.170 -0.502 1.00 30.35 H new ATOM 0 HA ARG A 26 3.545 5.692 1.582 1.00 33.30 H new ATOM 0 HB2 ARG A 26 6.011 5.112 1.814 1.00 21.44 H new ATOM 0 HB3 ARG A 26 6.393 6.716 1.221 1.00 21.44 H new ATOM 0 HG2 ARG A 26 4.544 6.608 3.586 1.00 10.12 H new ATOM 0 HG3 ARG A 26 6.188 6.077 3.879 1.00 10.12 H new ATOM 0 HD2 ARG A 26 5.478 8.775 2.645 1.00 51.13 H new ATOM 0 HD3 ARG A 26 5.754 8.530 4.358 1.00 51.13 H new ATOM 0 HE ARG A 26 8.030 7.478 3.091 1.00 60.33 H new ATOM 0 HH11 ARG A 26 6.448 10.664 3.208 1.00 10.43 H new ATOM 0 HH12 ARG A 26 7.970 11.536 3.001 1.00 10.43 H new ATOM 0 HH21 ARG A 26 9.944 8.636 2.852 1.00 22.41 H new ATOM 0 HH22 ARG A 26 9.922 10.402 2.803 1.00 22.41 H new ATOM 448 N GLN A 27 4.381 8.172 -0.432 1.00 44.15 N ATOM 449 CA GLN A 27 3.997 9.514 -0.906 1.00 24.24 C ATOM 450 C GLN A 27 2.504 9.551 -1.281 1.00 74.32 C ATOM 451 O GLN A 27 1.820 10.550 -1.031 1.00 61.25 O ATOM 452 CB GLN A 27 4.869 9.946 -2.118 1.00 21.41 C ATOM 453 CG GLN A 27 6.379 10.058 -1.816 1.00 75.32 C ATOM 454 CD GLN A 27 6.734 11.115 -0.765 1.00 61.25 C ATOM 455 OE1 GLN A 27 6.088 12.156 -0.658 1.00 32.34 O ATOM 456 NE2 GLN A 27 7.763 10.854 0.022 1.00 62.34 N ATOM 0 H GLN A 27 5.088 7.720 -1.012 1.00 44.15 H new ATOM 0 HA GLN A 27 4.169 10.219 -0.093 1.00 24.24 H new ATOM 0 HB2 GLN A 27 4.726 9.229 -2.926 1.00 21.41 H new ATOM 0 HB3 GLN A 27 4.512 10.910 -2.481 1.00 21.41 H new ATOM 0 HG2 GLN A 27 6.743 9.088 -1.477 1.00 75.32 H new ATOM 0 HG3 GLN A 27 6.907 10.290 -2.741 1.00 75.32 H new ATOM 0 HE21 GLN A 27 8.281 9.983 -0.089 1.00 62.34 H new ATOM 0 HE22 GLN A 27 8.039 11.524 0.740 1.00 62.34 H new ATOM 465 N LEU A 28 2.014 8.433 -1.854 1.00 22.35 N ATOM 466 CA LEU A 28 0.605 8.273 -2.231 1.00 42.21 C ATOM 467 C LEU A 28 -0.284 8.170 -0.977 1.00 3.24 C ATOM 468 O LEU A 28 -1.351 8.769 -0.934 1.00 12.32 O ATOM 469 CB LEU A 28 0.405 7.018 -3.118 1.00 70.10 C ATOM 470 CG LEU A 28 -1.069 6.747 -3.573 1.00 20.33 C ATOM 471 CD1 LEU A 28 -1.596 7.861 -4.504 1.00 11.21 C ATOM 472 CD2 LEU A 28 -1.217 5.359 -4.212 1.00 54.32 C ATOM 0 H LEU A 28 2.589 7.618 -2.066 1.00 22.35 H new ATOM 0 HA LEU A 28 0.313 9.154 -2.803 1.00 42.21 H new ATOM 0 HB2 LEU A 28 1.029 7.118 -4.006 1.00 70.10 H new ATOM 0 HB3 LEU A 28 0.765 6.146 -2.572 1.00 70.10 H new ATOM 0 HG LEU A 28 -1.689 6.759 -2.676 1.00 20.33 H new ATOM 0 HD11 LEU A 28 -2.621 7.635 -4.797 1.00 11.21 H new ATOM 0 HD12 LEU A 28 -1.570 8.816 -3.979 1.00 11.21 H new ATOM 0 HD13 LEU A 28 -0.969 7.919 -5.394 1.00 11.21 H new ATOM 0 HD21 LEU A 28 -2.253 5.207 -4.515 1.00 54.32 H new ATOM 0 HD22 LEU A 28 -0.569 5.290 -5.086 1.00 54.32 H new ATOM 0 HD23 LEU A 28 -0.934 4.594 -3.489 1.00 54.32 H new ATOM 484 N PHE A 29 0.174 7.404 0.039 1.00 73.24 N ATOM 485 CA PHE A 29 -0.583 7.203 1.296 1.00 53.22 C ATOM 486 C PHE A 29 -0.755 8.528 2.059 1.00 3.45 C ATOM 487 O PHE A 29 -1.816 8.784 2.626 1.00 4.34 O ATOM 488 CB PHE A 29 0.102 6.149 2.205 1.00 13.41 C ATOM 489 CG PHE A 29 0.108 4.728 1.646 1.00 53.41 C ATOM 490 CD1 PHE A 29 -1.048 4.173 1.104 1.00 70.44 C ATOM 491 CD2 PHE A 29 1.262 3.947 1.670 1.00 21.50 C ATOM 492 CE1 PHE A 29 -1.043 2.892 0.600 1.00 32.23 C ATOM 493 CE2 PHE A 29 1.264 2.664 1.168 1.00 11.14 C ATOM 494 CZ PHE A 29 0.112 2.135 0.633 1.00 70.33 C ATOM 0 H PHE A 29 1.068 6.913 0.013 1.00 73.24 H new ATOM 0 HA PHE A 29 -1.570 6.830 1.022 1.00 53.22 H new ATOM 0 HB2 PHE A 29 1.132 6.458 2.384 1.00 13.41 H new ATOM 0 HB3 PHE A 29 -0.401 6.142 3.172 1.00 13.41 H new ATOM 0 HD1 PHE A 29 -1.958 4.754 1.079 1.00 70.44 H new ATOM 0 HD2 PHE A 29 2.170 4.354 2.089 1.00 21.50 H new ATOM 0 HE1 PHE A 29 -1.946 2.477 0.177 1.00 32.23 H new ATOM 0 HE2 PHE A 29 2.168 2.074 1.194 1.00 11.14 H new ATOM 0 HZ PHE A 29 0.111 1.129 0.239 1.00 70.33 H new ATOM 504 N GLU A 30 0.306 9.362 2.052 1.00 31.22 N ATOM 505 CA GLU A 30 0.280 10.723 2.638 1.00 4.33 C ATOM 506 C GLU A 30 -0.676 11.633 1.846 1.00 14.31 C ATOM 507 O GLU A 30 -1.393 12.460 2.417 1.00 12.12 O ATOM 508 CB GLU A 30 1.692 11.346 2.631 1.00 41.44 C ATOM 509 CG GLU A 30 2.750 10.582 3.442 1.00 51.23 C ATOM 510 CD GLU A 30 4.161 11.149 3.231 1.00 75.20 C ATOM 511 OE1 GLU A 30 4.765 11.695 4.177 1.00 55.52 O ATOM 512 OE2 GLU A 30 4.674 11.059 2.099 1.00 44.12 O ATOM 0 H GLU A 30 1.206 9.113 1.641 1.00 31.22 H new ATOM 0 HA GLU A 30 -0.070 10.637 3.667 1.00 4.33 H new ATOM 0 HB2 GLU A 30 2.033 11.421 1.599 1.00 41.44 H new ATOM 0 HB3 GLU A 30 1.625 12.362 3.019 1.00 41.44 H new ATOM 0 HG2 GLU A 30 2.496 10.627 4.501 1.00 51.23 H new ATOM 0 HG3 GLU A 30 2.736 9.530 3.155 1.00 51.23 H new ATOM 519 N GLU A 31 -0.663 11.454 0.515 1.00 11.33 N ATOM 520 CA GLU A 31 -1.513 12.209 -0.417 1.00 61.12 C ATOM 521 C GLU A 31 -2.999 11.849 -0.217 1.00 34.53 C ATOM 522 O GLU A 31 -3.858 12.703 -0.349 1.00 62.55 O ATOM 523 CB GLU A 31 -1.041 11.948 -1.870 1.00 63.43 C ATOM 524 CG GLU A 31 -1.793 12.741 -2.953 1.00 23.30 C ATOM 525 CD GLU A 31 -1.171 12.590 -4.349 1.00 70.20 C ATOM 526 OE1 GLU A 31 -1.351 11.529 -4.981 1.00 5.12 O ATOM 527 OE2 GLU A 31 -0.499 13.531 -4.828 1.00 25.31 O ATOM 0 H GLU A 31 -0.057 10.776 0.053 1.00 11.33 H new ATOM 0 HA GLU A 31 -1.419 13.276 -0.214 1.00 61.12 H new ATOM 0 HB2 GLU A 31 0.021 12.186 -1.939 1.00 63.43 H new ATOM 0 HB3 GLU A 31 -1.144 10.884 -2.083 1.00 63.43 H new ATOM 0 HG2 GLU A 31 -2.830 12.407 -2.985 1.00 23.30 H new ATOM 0 HG3 GLU A 31 -1.806 13.796 -2.679 1.00 23.30 H new ATOM 534 N LEU A 32 -3.277 10.583 0.139 1.00 51.13 N ATOM 535 CA LEU A 32 -4.650 10.091 0.413 1.00 63.13 C ATOM 536 C LEU A 32 -5.028 10.315 1.903 1.00 72.41 C ATOM 537 O LEU A 32 -6.206 10.286 2.268 1.00 52.24 O ATOM 538 CB LEU A 32 -4.762 8.583 0.036 1.00 13.11 C ATOM 539 CG LEU A 32 -4.446 8.200 -1.452 1.00 2.33 C ATOM 540 CD1 LEU A 32 -4.507 6.670 -1.669 1.00 65.30 C ATOM 541 CD2 LEU A 32 -5.367 8.941 -2.445 1.00 52.31 C ATOM 0 H LEU A 32 -2.559 9.866 0.247 1.00 51.13 H new ATOM 0 HA LEU A 32 -5.352 10.657 -0.200 1.00 63.13 H new ATOM 0 HB2 LEU A 32 -4.088 8.021 0.682 1.00 13.11 H new ATOM 0 HB3 LEU A 32 -5.774 8.250 0.265 1.00 13.11 H new ATOM 0 HG LEU A 32 -3.425 8.523 -1.653 1.00 2.33 H new ATOM 0 HD11 LEU A 32 -4.283 6.441 -2.711 1.00 65.30 H new ATOM 0 HD12 LEU A 32 -3.776 6.182 -1.025 1.00 65.30 H new ATOM 0 HD13 LEU A 32 -5.505 6.307 -1.424 1.00 65.30 H new ATOM 0 HD21 LEU A 32 -5.115 8.647 -3.464 1.00 52.31 H new ATOM 0 HD22 LEU A 32 -6.406 8.683 -2.240 1.00 52.31 H new ATOM 0 HD23 LEU A 32 -5.232 10.017 -2.334 1.00 52.31 H new ATOM 553 N HIS A 33 -4.013 10.537 2.753 1.00 64.03 N ATOM 554 CA HIS A 33 -4.183 10.758 4.211 1.00 72.15 C ATOM 555 C HIS A 33 -5.084 11.975 4.516 1.00 35.52 C ATOM 556 O HIS A 33 -5.851 11.959 5.488 1.00 35.32 O ATOM 557 CB HIS A 33 -2.789 10.944 4.856 1.00 53.25 C ATOM 558 CG HIS A 33 -2.778 11.276 6.320 1.00 73.23 C ATOM 559 ND1 HIS A 33 -2.415 12.510 6.806 1.00 3.05 N ATOM 560 CD2 HIS A 33 -3.071 10.526 7.400 1.00 15.02 C ATOM 561 CE1 HIS A 33 -2.476 12.496 8.115 1.00 12.22 C ATOM 562 NE2 HIS A 33 -2.879 11.306 8.504 1.00 71.12 N ATOM 0 H HIS A 33 -3.039 10.570 2.452 1.00 64.03 H new ATOM 0 HA HIS A 33 -4.680 9.885 4.634 1.00 72.15 H new ATOM 0 HB2 HIS A 33 -2.217 10.028 4.708 1.00 53.25 H new ATOM 0 HB3 HIS A 33 -2.266 11.736 4.320 1.00 53.25 H new ATOM 0 HD1 HIS A 33 -2.141 13.311 6.237 1.00 3.05 H new ATOM 0 HD2 HIS A 33 -3.398 9.497 7.394 1.00 15.02 H new ATOM 0 HE1 HIS A 33 -2.235 13.324 8.766 1.00 12.22 H new ATOM 571 N GLU A 34 -4.986 13.012 3.667 1.00 40.13 N ATOM 572 CA GLU A 34 -5.741 14.268 3.849 1.00 62.41 C ATOM 573 C GLU A 34 -7.253 14.092 3.576 1.00 0.31 C ATOM 574 O GLU A 34 -8.064 14.863 4.100 1.00 22.22 O ATOM 575 CB GLU A 34 -5.116 15.419 2.991 1.00 32.14 C ATOM 576 CG GLU A 34 -4.858 15.121 1.485 1.00 23.11 C ATOM 577 CD GLU A 34 -6.118 15.059 0.595 1.00 1.13 C ATOM 578 OE1 GLU A 34 -6.859 16.061 0.541 1.00 55.55 O ATOM 579 OE2 GLU A 34 -6.374 14.023 -0.051 1.00 2.24 O ATOM 0 H GLU A 34 -4.387 13.006 2.841 1.00 40.13 H new ATOM 0 HA GLU A 34 -5.658 14.552 4.898 1.00 62.41 H new ATOM 0 HB2 GLU A 34 -5.774 16.285 3.056 1.00 32.14 H new ATOM 0 HB3 GLU A 34 -4.168 15.704 3.447 1.00 32.14 H new ATOM 0 HG2 GLU A 34 -4.192 15.888 1.090 1.00 23.11 H new ATOM 0 HG3 GLU A 34 -4.331 14.170 1.406 1.00 23.11 H new ATOM 586 N ARG A 35 -7.628 13.077 2.763 1.00 72.12 N ATOM 587 CA ARG A 35 -9.048 12.838 2.398 1.00 63.33 C ATOM 588 C ARG A 35 -9.668 11.743 3.288 1.00 21.14 C ATOM 589 O ARG A 35 -10.879 11.751 3.526 1.00 45.21 O ATOM 590 CB ARG A 35 -9.169 12.493 0.884 1.00 11.03 C ATOM 591 CG ARG A 35 -8.496 11.176 0.456 1.00 4.42 C ATOM 592 CD ARG A 35 -8.165 11.106 -1.042 1.00 72.42 C ATOM 593 NE ARG A 35 -9.351 11.158 -1.912 1.00 51.55 N ATOM 594 CZ ARG A 35 -9.366 11.661 -3.160 1.00 62.14 C ATOM 595 NH1 ARG A 35 -8.263 12.180 -3.699 1.00 14.25 N ATOM 596 NH2 ARG A 35 -10.482 11.618 -3.873 1.00 42.22 N ATOM 0 H ARG A 35 -6.974 12.413 2.349 1.00 72.12 H new ATOM 0 HA ARG A 35 -9.613 13.753 2.575 1.00 63.33 H new ATOM 0 HB2 ARG A 35 -10.226 12.444 0.622 1.00 11.03 H new ATOM 0 HB3 ARG A 35 -8.735 13.309 0.306 1.00 11.03 H new ATOM 0 HG2 ARG A 35 -7.577 11.046 1.028 1.00 4.42 H new ATOM 0 HG3 ARG A 35 -9.152 10.344 0.713 1.00 4.42 H new ATOM 0 HD2 ARG A 35 -7.501 11.932 -1.298 1.00 72.42 H new ATOM 0 HD3 ARG A 35 -7.619 10.184 -1.242 1.00 72.42 H new ATOM 0 HE ARG A 35 -10.225 10.786 -1.542 1.00 51.55 H new ATOM 0 HH11 ARG A 35 -7.394 12.199 -3.164 1.00 14.25 H new ATOM 0 HH12 ARG A 35 -8.287 12.558 -4.646 1.00 14.25 H new ATOM 0 HH21 ARG A 35 -11.326 11.205 -3.475 1.00 42.22 H new ATOM 0 HH22 ARG A 35 -10.498 11.998 -4.819 1.00 42.22 H new ATOM 610 N GLY A 36 -8.820 10.816 3.790 1.00 25.30 N ATOM 611 CA GLY A 36 -9.258 9.747 4.705 1.00 52.43 C ATOM 612 C GLY A 36 -10.250 8.762 4.080 1.00 31.52 C ATOM 613 O GLY A 36 -11.125 8.222 4.774 1.00 4.44 O ATOM 0 H GLY A 36 -7.824 10.791 3.573 1.00 25.30 H new ATOM 0 HA2 GLY A 36 -8.383 9.196 5.050 1.00 52.43 H new ATOM 0 HA3 GLY A 36 -9.716 10.200 5.584 1.00 52.43 H new ATOM 617 N THR A 37 -10.100 8.539 2.763 1.00 14.41 N ATOM 618 CA THR A 37 -10.961 7.633 1.975 1.00 20.42 C ATOM 619 C THR A 37 -10.574 6.158 2.233 1.00 20.42 C ATOM 620 O THR A 37 -9.532 5.887 2.849 1.00 33.12 O ATOM 621 CB THR A 37 -10.837 7.964 0.446 1.00 10.25 C ATOM 622 OG1 THR A 37 -11.790 7.215 -0.330 1.00 61.53 O ATOM 623 CG2 THR A 37 -9.419 7.689 -0.086 1.00 74.21 C ATOM 0 H THR A 37 -9.371 8.986 2.208 1.00 14.41 H new ATOM 0 HA THR A 37 -11.995 7.780 2.286 1.00 20.42 H new ATOM 0 HB THR A 37 -11.048 9.028 0.341 1.00 10.25 H new ATOM 0 HG1 THR A 37 -11.691 7.443 -1.278 1.00 61.53 H new ATOM 0 HG21 THR A 37 -9.376 7.931 -1.148 1.00 74.21 H new ATOM 0 HG22 THR A 37 -8.701 8.305 0.456 1.00 74.21 H new ATOM 0 HG23 THR A 37 -9.175 6.636 0.057 1.00 74.21 H new ATOM 631 N GLU A 38 -11.409 5.212 1.747 1.00 14.12 N ATOM 632 CA GLU A 38 -11.128 3.777 1.868 1.00 41.51 C ATOM 633 C GLU A 38 -9.965 3.377 0.926 1.00 75.41 C ATOM 634 O GLU A 38 -10.126 3.233 -0.288 1.00 4.34 O ATOM 635 CB GLU A 38 -12.399 2.894 1.629 1.00 54.54 C ATOM 636 CG GLU A 38 -13.132 3.104 0.283 1.00 32.44 C ATOM 637 CD GLU A 38 -14.073 1.934 -0.077 1.00 20.14 C ATOM 638 OE1 GLU A 38 -13.565 0.871 -0.488 1.00 33.35 O ATOM 639 OE2 GLU A 38 -15.308 2.066 0.047 1.00 54.22 O ATOM 0 H GLU A 38 -12.284 5.425 1.267 1.00 14.12 H new ATOM 0 HA GLU A 38 -10.820 3.587 2.896 1.00 41.51 H new ATOM 0 HB2 GLU A 38 -12.107 1.846 1.700 1.00 54.54 H new ATOM 0 HB3 GLU A 38 -13.105 3.084 2.437 1.00 54.54 H new ATOM 0 HG2 GLU A 38 -13.710 4.027 0.330 1.00 32.44 H new ATOM 0 HG3 GLU A 38 -12.395 3.229 -0.511 1.00 32.44 H new ATOM 646 N ILE A 39 -8.781 3.241 1.524 1.00 10.10 N ATOM 647 CA ILE A 39 -7.571 2.807 0.840 1.00 34.31 C ATOM 648 C ILE A 39 -7.449 1.277 1.016 1.00 3.54 C ATOM 649 O ILE A 39 -7.158 0.788 2.115 1.00 24.13 O ATOM 650 CB ILE A 39 -6.299 3.520 1.452 1.00 11.21 C ATOM 651 CG1 ILE A 39 -6.506 5.067 1.539 1.00 43.14 C ATOM 652 CG2 ILE A 39 -5.029 3.186 0.634 1.00 64.21 C ATOM 653 CD1 ILE A 39 -5.433 5.807 2.329 1.00 15.33 C ATOM 0 H ILE A 39 -8.638 3.434 2.515 1.00 10.10 H new ATOM 0 HA ILE A 39 -7.628 3.070 -0.216 1.00 34.31 H new ATOM 0 HB ILE A 39 -6.163 3.140 2.464 1.00 11.21 H new ATOM 0 HG12 ILE A 39 -6.540 5.473 0.528 1.00 43.14 H new ATOM 0 HG13 ILE A 39 -7.476 5.266 1.995 1.00 43.14 H new ATOM 0 HG21 ILE A 39 -4.169 3.689 1.076 1.00 64.21 H new ATOM 0 HG22 ILE A 39 -4.864 2.109 0.643 1.00 64.21 H new ATOM 0 HG23 ILE A 39 -5.159 3.525 -0.394 1.00 64.21 H new ATOM 0 HD11 ILE A 39 -5.657 6.874 2.337 1.00 15.33 H new ATOM 0 HD12 ILE A 39 -5.412 5.433 3.353 1.00 15.33 H new ATOM 0 HD13 ILE A 39 -4.461 5.644 1.863 1.00 15.33 H new ATOM 665 N VAL A 40 -7.712 0.538 -0.075 1.00 63.54 N ATOM 666 CA VAL A 40 -7.644 -0.928 -0.103 1.00 23.13 C ATOM 667 C VAL A 40 -6.337 -1.329 -0.788 1.00 24.41 C ATOM 668 O VAL A 40 -6.217 -1.232 -2.002 1.00 71.21 O ATOM 669 CB VAL A 40 -8.869 -1.554 -0.883 1.00 74.53 C ATOM 670 CG1 VAL A 40 -8.832 -3.107 -0.848 1.00 22.31 C ATOM 671 CG2 VAL A 40 -10.211 -1.002 -0.344 1.00 72.20 C ATOM 0 H VAL A 40 -7.980 0.948 -0.970 1.00 63.54 H new ATOM 0 HA VAL A 40 -7.681 -1.306 0.919 1.00 23.13 H new ATOM 0 HB VAL A 40 -8.786 -1.255 -1.928 1.00 74.53 H new ATOM 0 HG11 VAL A 40 -9.688 -3.504 -1.393 1.00 22.31 H new ATOM 0 HG12 VAL A 40 -7.911 -3.460 -1.312 1.00 22.31 H new ATOM 0 HG13 VAL A 40 -8.871 -3.449 0.186 1.00 22.31 H new ATOM 0 HG21 VAL A 40 -11.037 -1.449 -0.898 1.00 72.20 H new ATOM 0 HG22 VAL A 40 -10.307 -1.249 0.713 1.00 72.20 H new ATOM 0 HG23 VAL A 40 -10.235 0.081 -0.468 1.00 72.20 H new ATOM 681 N VAL A 41 -5.351 -1.749 -0.001 1.00 11.33 N ATOM 682 CA VAL A 41 -4.037 -2.161 -0.510 1.00 42.23 C ATOM 683 C VAL A 41 -3.955 -3.686 -0.498 1.00 72.34 C ATOM 684 O VAL A 41 -4.038 -4.301 0.571 1.00 2.30 O ATOM 685 CB VAL A 41 -2.893 -1.533 0.356 1.00 33.13 C ATOM 686 CG1 VAL A 41 -1.493 -1.960 -0.136 1.00 65.23 C ATOM 687 CG2 VAL A 41 -3.027 0.004 0.383 1.00 23.10 C ATOM 0 H VAL A 41 -5.437 -1.815 1.013 1.00 11.33 H new ATOM 0 HA VAL A 41 -3.912 -1.804 -1.532 1.00 42.23 H new ATOM 0 HB VAL A 41 -2.999 -1.912 1.372 1.00 33.13 H new ATOM 0 HG11 VAL A 41 -0.731 -1.501 0.493 1.00 65.23 H new ATOM 0 HG12 VAL A 41 -1.404 -3.045 -0.082 1.00 65.23 H new ATOM 0 HG13 VAL A 41 -1.355 -1.636 -1.167 1.00 65.23 H new ATOM 0 HG21 VAL A 41 -2.226 0.428 0.988 1.00 23.10 H new ATOM 0 HG22 VAL A 41 -2.959 0.393 -0.633 1.00 23.10 H new ATOM 0 HG23 VAL A 41 -3.991 0.278 0.813 1.00 23.10 H new ATOM 697 N GLU A 42 -3.809 -4.294 -1.689 1.00 52.34 N ATOM 698 CA GLU A 42 -3.766 -5.752 -1.827 1.00 33.51 C ATOM 699 C GLU A 42 -2.518 -6.189 -2.606 1.00 24.33 C ATOM 700 O GLU A 42 -2.371 -5.883 -3.800 1.00 25.44 O ATOM 701 CB GLU A 42 -5.062 -6.293 -2.473 1.00 71.33 C ATOM 702 CG GLU A 42 -5.153 -7.835 -2.459 1.00 5.45 C ATOM 703 CD GLU A 42 -6.544 -8.360 -2.818 1.00 12.32 C ATOM 704 OE1 GLU A 42 -7.440 -8.294 -1.962 1.00 35.51 O ATOM 705 OE2 GLU A 42 -6.747 -8.852 -3.946 1.00 24.20 O ATOM 0 H GLU A 42 -3.719 -3.790 -2.571 1.00 52.34 H new ATOM 0 HA GLU A 42 -3.701 -6.185 -0.829 1.00 33.51 H new ATOM 0 HB2 GLU A 42 -5.922 -5.880 -1.946 1.00 71.33 H new ATOM 0 HB3 GLU A 42 -5.121 -5.942 -3.503 1.00 71.33 H new ATOM 0 HG2 GLU A 42 -4.426 -8.242 -3.162 1.00 5.45 H new ATOM 0 HG3 GLU A 42 -4.878 -8.200 -1.469 1.00 5.45 H new ATOM 712 N VAL A 43 -1.629 -6.908 -1.906 1.00 62.15 N ATOM 713 CA VAL A 43 -0.331 -7.359 -2.427 1.00 64.22 C ATOM 714 C VAL A 43 -0.489 -8.729 -3.110 1.00 61.42 C ATOM 715 O VAL A 43 -0.825 -9.715 -2.451 1.00 62.11 O ATOM 716 CB VAL A 43 0.723 -7.470 -1.260 1.00 32.31 C ATOM 717 CG1 VAL A 43 2.136 -7.797 -1.794 1.00 63.52 C ATOM 718 CG2 VAL A 43 0.727 -6.190 -0.397 1.00 61.54 C ATOM 0 H VAL A 43 -1.796 -7.198 -0.942 1.00 62.15 H new ATOM 0 HA VAL A 43 0.024 -6.629 -3.154 1.00 64.22 H new ATOM 0 HB VAL A 43 0.423 -8.302 -0.623 1.00 32.31 H new ATOM 0 HG11 VAL A 43 2.834 -7.865 -0.959 1.00 63.52 H new ATOM 0 HG12 VAL A 43 2.113 -8.748 -2.326 1.00 63.52 H new ATOM 0 HG13 VAL A 43 2.459 -7.009 -2.474 1.00 63.52 H new ATOM 0 HG21 VAL A 43 1.462 -6.292 0.401 1.00 61.54 H new ATOM 0 HG22 VAL A 43 0.983 -5.332 -1.019 1.00 61.54 H new ATOM 0 HG23 VAL A 43 -0.262 -6.041 0.037 1.00 61.54 H new ATOM 728 N HIS A 44 -0.277 -8.766 -4.429 1.00 4.33 N ATOM 729 CA HIS A 44 -0.373 -9.993 -5.237 1.00 22.31 C ATOM 730 C HIS A 44 1.036 -10.561 -5.475 1.00 70.01 C ATOM 731 O HIS A 44 1.807 -9.998 -6.257 1.00 41.54 O ATOM 732 CB HIS A 44 -1.073 -9.686 -6.593 1.00 10.44 C ATOM 733 CG HIS A 44 -2.490 -9.169 -6.484 1.00 42.52 C ATOM 734 ND1 HIS A 44 -3.127 -8.491 -7.503 1.00 2.31 N ATOM 735 CD2 HIS A 44 -3.401 -9.262 -5.485 1.00 1.12 C ATOM 736 CE1 HIS A 44 -4.357 -8.197 -7.133 1.00 75.43 C ATOM 737 NE2 HIS A 44 -4.547 -8.654 -5.917 1.00 21.40 N ATOM 0 H HIS A 44 -0.032 -7.939 -4.974 1.00 4.33 H new ATOM 0 HA HIS A 44 -0.968 -10.733 -4.703 1.00 22.31 H new ATOM 0 HB2 HIS A 44 -0.476 -8.952 -7.134 1.00 10.44 H new ATOM 0 HB3 HIS A 44 -1.080 -10.595 -7.194 1.00 10.44 H new ATOM 0 HD2 HIS A 44 -3.250 -9.731 -4.524 1.00 1.12 H new ATOM 0 HE1 HIS A 44 -5.086 -7.669 -7.730 1.00 75.43 H new ATOM 0 HE2 HIS A 44 -5.411 -8.569 -5.381 1.00 21.40 H new ATOM 746 N ILE A 45 1.381 -11.654 -4.770 1.00 43.45 N ATOM 747 CA ILE A 45 2.680 -12.347 -4.916 1.00 24.52 C ATOM 748 C ILE A 45 2.447 -13.869 -4.987 1.00 22.41 C ATOM 749 O ILE A 45 1.869 -14.452 -4.059 1.00 61.11 O ATOM 750 CB ILE A 45 3.682 -12.000 -3.740 1.00 55.31 C ATOM 751 CG1 ILE A 45 4.116 -10.501 -3.808 1.00 51.23 C ATOM 752 CG2 ILE A 45 4.917 -12.936 -3.743 1.00 15.01 C ATOM 753 CD1 ILE A 45 5.278 -10.121 -2.908 1.00 32.43 C ATOM 0 H ILE A 45 0.766 -12.085 -4.080 1.00 43.45 H new ATOM 0 HA ILE A 45 3.141 -11.998 -5.840 1.00 24.52 H new ATOM 0 HB ILE A 45 3.155 -12.163 -2.800 1.00 55.31 H new ATOM 0 HG12 ILE A 45 4.383 -10.263 -4.838 1.00 51.23 H new ATOM 0 HG13 ILE A 45 3.259 -9.879 -3.549 1.00 51.23 H new ATOM 0 HG21 ILE A 45 5.580 -12.666 -2.921 1.00 15.01 H new ATOM 0 HG22 ILE A 45 4.591 -13.969 -3.621 1.00 15.01 H new ATOM 0 HG23 ILE A 45 5.450 -12.833 -4.688 1.00 15.01 H new ATOM 0 HD11 ILE A 45 5.501 -9.061 -3.029 1.00 32.43 H new ATOM 0 HD12 ILE A 45 5.014 -10.320 -1.869 1.00 32.43 H new ATOM 0 HD13 ILE A 45 6.155 -10.709 -3.178 1.00 32.43 H new ATOM 765 N ASN A 46 2.887 -14.481 -6.118 1.00 30.12 N ATOM 766 CA ASN A 46 2.827 -15.944 -6.375 1.00 34.53 C ATOM 767 C ASN A 46 1.409 -16.550 -6.229 1.00 74.33 C ATOM 768 O ASN A 46 1.268 -17.762 -6.038 1.00 62.33 O ATOM 769 CB ASN A 46 3.876 -16.709 -5.497 1.00 13.43 C ATOM 770 CG ASN A 46 5.316 -16.548 -6.007 1.00 12.25 C ATOM 771 OD1 ASN A 46 5.755 -17.286 -6.885 1.00 2.01 O ATOM 772 ND2 ASN A 46 6.072 -15.619 -5.449 1.00 51.24 N ATOM 0 H ASN A 46 3.301 -13.961 -6.891 1.00 30.12 H new ATOM 0 HA ASN A 46 3.088 -16.077 -7.425 1.00 34.53 H new ATOM 0 HB2 ASN A 46 3.817 -16.346 -4.471 1.00 13.43 H new ATOM 0 HB3 ASN A 46 3.620 -17.768 -5.475 1.00 13.43 H new ATOM 0 HD21 ASN A 46 7.041 -15.504 -5.746 1.00 51.24 H new ATOM 0 HD22 ASN A 46 5.687 -15.017 -4.721 1.00 51.24 H new ATOM 779 N GLY A 47 0.369 -15.712 -6.373 1.00 65.23 N ATOM 780 CA GLY A 47 -1.026 -16.167 -6.287 1.00 4.31 C ATOM 781 C GLY A 47 -1.728 -15.672 -5.035 1.00 64.14 C ATOM 782 O GLY A 47 -2.960 -15.549 -5.021 1.00 35.41 O ATOM 0 H GLY A 47 0.470 -14.713 -6.550 1.00 65.23 H new ATOM 0 HA2 GLY A 47 -1.571 -15.821 -7.165 1.00 4.31 H new ATOM 0 HA3 GLY A 47 -1.050 -17.257 -6.305 1.00 4.31 H new ATOM 786 N GLU A 48 -0.949 -15.383 -3.983 1.00 32.52 N ATOM 787 CA GLU A 48 -1.481 -14.983 -2.671 1.00 64.55 C ATOM 788 C GLU A 48 -1.799 -13.480 -2.648 1.00 14.32 C ATOM 789 O GLU A 48 -1.101 -12.679 -3.280 1.00 64.52 O ATOM 790 CB GLU A 48 -0.471 -15.342 -1.555 1.00 24.24 C ATOM 791 CG GLU A 48 -0.004 -16.817 -1.559 1.00 10.44 C ATOM 792 CD GLU A 48 -1.156 -17.838 -1.584 1.00 25.43 C ATOM 793 OE1 GLU A 48 -1.452 -18.389 -2.662 1.00 55.24 O ATOM 794 OE2 GLU A 48 -1.773 -18.088 -0.532 1.00 1.24 O ATOM 0 H GLU A 48 0.070 -15.420 -4.017 1.00 32.52 H new ATOM 0 HA GLU A 48 -2.408 -15.528 -2.492 1.00 64.55 H new ATOM 0 HB2 GLU A 48 0.403 -14.698 -1.653 1.00 24.24 H new ATOM 0 HB3 GLU A 48 -0.924 -15.121 -0.588 1.00 24.24 H new ATOM 0 HG2 GLU A 48 0.634 -16.983 -2.427 1.00 10.44 H new ATOM 0 HG3 GLU A 48 0.608 -16.996 -0.675 1.00 10.44 H new ATOM 801 N ARG A 49 -2.840 -13.117 -1.886 1.00 24.14 N ATOM 802 CA ARG A 49 -3.356 -11.742 -1.804 1.00 50.44 C ATOM 803 C ARG A 49 -3.410 -11.281 -0.330 1.00 75.11 C ATOM 804 O ARG A 49 -4.167 -11.828 0.485 1.00 64.43 O ATOM 805 CB ARG A 49 -4.763 -11.670 -2.485 1.00 63.43 C ATOM 806 CG ARG A 49 -5.788 -12.722 -1.984 1.00 72.30 C ATOM 807 CD ARG A 49 -7.146 -12.656 -2.708 1.00 3.13 C ATOM 808 NE ARG A 49 -7.873 -11.395 -2.472 1.00 20.04 N ATOM 809 CZ ARG A 49 -9.163 -11.170 -2.792 1.00 1.32 C ATOM 810 NH1 ARG A 49 -9.900 -12.107 -3.386 1.00 53.32 N ATOM 811 NH2 ARG A 49 -9.707 -9.995 -2.503 1.00 21.34 N ATOM 0 H ARG A 49 -3.354 -13.777 -1.302 1.00 24.14 H new ATOM 0 HA ARG A 49 -2.687 -11.065 -2.335 1.00 50.44 H new ATOM 0 HB2 ARG A 49 -5.178 -10.675 -2.324 1.00 63.43 H new ATOM 0 HB3 ARG A 49 -4.636 -11.792 -3.561 1.00 63.43 H new ATOM 0 HG2 ARG A 49 -5.365 -13.718 -2.113 1.00 72.30 H new ATOM 0 HG3 ARG A 49 -5.949 -12.580 -0.915 1.00 72.30 H new ATOM 0 HD2 ARG A 49 -6.985 -12.779 -3.779 1.00 3.13 H new ATOM 0 HD3 ARG A 49 -7.765 -13.491 -2.380 1.00 3.13 H new ATOM 0 HE ARG A 49 -7.359 -10.632 -2.031 1.00 20.04 H new ATOM 0 HH11 ARG A 49 -9.490 -13.014 -3.607 1.00 53.32 H new ATOM 0 HH12 ARG A 49 -10.874 -11.917 -3.620 1.00 53.32 H new ATOM 0 HH21 ARG A 49 -9.150 -9.274 -2.044 1.00 21.34 H new ATOM 0 HH22 ARG A 49 -10.682 -9.812 -2.740 1.00 21.34 H new ATOM 825 N ASP A 50 -2.567 -10.296 0.022 1.00 12.14 N ATOM 826 CA ASP A 50 -2.615 -9.645 1.343 1.00 54.22 C ATOM 827 C ASP A 50 -3.573 -8.460 1.235 1.00 74.21 C ATOM 828 O ASP A 50 -3.221 -7.442 0.649 1.00 41.22 O ATOM 829 CB ASP A 50 -1.192 -9.160 1.733 1.00 44.31 C ATOM 830 CG ASP A 50 -1.089 -8.507 3.131 1.00 32.11 C ATOM 831 OD1 ASP A 50 -0.450 -7.441 3.262 1.00 13.43 O ATOM 832 OD2 ASP A 50 -1.607 -9.082 4.114 1.00 33.01 O ATOM 0 H ASP A 50 -1.840 -9.931 -0.593 1.00 12.14 H new ATOM 0 HA ASP A 50 -2.960 -10.338 2.111 1.00 54.22 H new ATOM 0 HB2 ASP A 50 -0.510 -10.010 1.693 1.00 44.31 H new ATOM 0 HB3 ASP A 50 -0.851 -8.443 0.987 1.00 44.31 H new ATOM 837 N GLU A 51 -4.761 -8.583 1.831 1.00 61.34 N ATOM 838 CA GLU A 51 -5.844 -7.585 1.692 1.00 12.13 C ATOM 839 C GLU A 51 -5.912 -6.736 2.960 1.00 12.53 C ATOM 840 O GLU A 51 -6.145 -7.259 4.052 1.00 40.04 O ATOM 841 CB GLU A 51 -7.219 -8.271 1.443 1.00 31.23 C ATOM 842 CG GLU A 51 -8.391 -7.270 1.244 1.00 4.32 C ATOM 843 CD GLU A 51 -9.774 -7.935 1.192 1.00 2.23 C ATOM 844 OE1 GLU A 51 -10.167 -8.445 0.119 1.00 43.11 O ATOM 845 OE2 GLU A 51 -10.474 -7.974 2.233 1.00 21.11 O ATOM 0 H GLU A 51 -5.007 -9.374 2.425 1.00 61.34 H new ATOM 0 HA GLU A 51 -5.623 -6.954 0.831 1.00 12.13 H new ATOM 0 HB2 GLU A 51 -7.143 -8.907 0.561 1.00 31.23 H new ATOM 0 HB3 GLU A 51 -7.448 -8.922 2.287 1.00 31.23 H new ATOM 0 HG2 GLU A 51 -8.378 -6.544 2.057 1.00 4.32 H new ATOM 0 HG3 GLU A 51 -8.230 -6.716 0.319 1.00 4.32 H new ATOM 852 N ILE A 52 -5.683 -5.435 2.815 1.00 13.13 N ATOM 853 CA ILE A 52 -5.777 -4.467 3.914 1.00 22.42 C ATOM 854 C ILE A 52 -6.694 -3.333 3.462 1.00 32.01 C ATOM 855 O ILE A 52 -6.561 -2.851 2.338 1.00 54.44 O ATOM 856 CB ILE A 52 -4.376 -3.864 4.284 1.00 63.31 C ATOM 857 CG1 ILE A 52 -3.283 -4.974 4.356 1.00 72.24 C ATOM 858 CG2 ILE A 52 -4.471 -3.084 5.624 1.00 61.05 C ATOM 859 CD1 ILE A 52 -1.877 -4.431 4.355 1.00 64.32 C ATOM 0 H ILE A 52 -5.424 -5.013 1.923 1.00 13.13 H new ATOM 0 HA ILE A 52 -6.165 -4.976 4.796 1.00 22.42 H new ATOM 0 HB ILE A 52 -4.080 -3.170 3.497 1.00 63.31 H new ATOM 0 HG12 ILE A 52 -3.435 -5.565 5.259 1.00 72.24 H new ATOM 0 HG13 ILE A 52 -3.405 -5.649 3.509 1.00 72.24 H new ATOM 0 HG21 ILE A 52 -3.494 -2.669 5.873 1.00 61.05 H new ATOM 0 HG22 ILE A 52 -5.194 -2.275 5.524 1.00 61.05 H new ATOM 0 HG23 ILE A 52 -4.791 -3.760 6.417 1.00 61.05 H new ATOM 0 HD11 ILE A 52 -1.168 -5.257 4.407 1.00 64.32 H new ATOM 0 HD12 ILE A 52 -1.707 -3.863 3.440 1.00 64.32 H new ATOM 0 HD13 ILE A 52 -1.738 -3.779 5.217 1.00 64.32 H new ATOM 871 N ARG A 53 -7.636 -2.926 4.318 1.00 13.51 N ATOM 872 CA ARG A 53 -8.541 -1.807 4.039 1.00 32.15 C ATOM 873 C ARG A 53 -8.496 -0.829 5.225 1.00 72.22 C ATOM 874 O ARG A 53 -9.000 -1.130 6.310 1.00 73.33 O ATOM 875 CB ARG A 53 -9.986 -2.331 3.781 1.00 72.12 C ATOM 876 CG ARG A 53 -10.084 -3.442 2.706 1.00 52.54 C ATOM 877 CD ARG A 53 -11.526 -3.845 2.365 1.00 5.13 C ATOM 878 NE ARG A 53 -12.272 -2.756 1.713 1.00 11.21 N ATOM 879 CZ ARG A 53 -13.264 -2.922 0.822 1.00 1.44 C ATOM 880 NH1 ARG A 53 -13.661 -4.136 0.440 1.00 73.42 N ATOM 881 NH2 ARG A 53 -13.854 -1.864 0.306 1.00 5.34 N ATOM 0 H ARG A 53 -7.793 -3.364 5.226 1.00 13.51 H new ATOM 0 HA ARG A 53 -8.223 -1.282 3.138 1.00 32.15 H new ATOM 0 HB2 ARG A 53 -10.393 -2.712 4.717 1.00 72.12 H new ATOM 0 HB3 ARG A 53 -10.614 -1.493 3.478 1.00 72.12 H new ATOM 0 HG2 ARG A 53 -9.587 -3.101 1.798 1.00 52.54 H new ATOM 0 HG3 ARG A 53 -9.543 -4.322 3.055 1.00 52.54 H new ATOM 0 HD2 ARG A 53 -11.512 -4.716 1.710 1.00 5.13 H new ATOM 0 HD3 ARG A 53 -12.043 -4.141 3.278 1.00 5.13 H new ATOM 0 HE ARG A 53 -12.015 -1.799 1.957 1.00 11.21 H new ATOM 0 HH11 ARG A 53 -13.209 -4.965 0.826 1.00 73.42 H new ATOM 0 HH12 ARG A 53 -14.417 -4.236 -0.238 1.00 73.42 H new ATOM 0 HH21 ARG A 53 -13.557 -0.928 0.583 1.00 5.34 H new ATOM 0 HH22 ARG A 53 -14.608 -1.980 -0.371 1.00 5.34 H new ATOM 895 N VAL A 54 -7.830 0.311 5.015 1.00 21.13 N ATOM 896 CA VAL A 54 -7.748 1.423 5.987 1.00 10.13 C ATOM 897 C VAL A 54 -8.524 2.618 5.428 1.00 60.35 C ATOM 898 O VAL A 54 -8.669 2.731 4.218 1.00 10.43 O ATOM 899 CB VAL A 54 -6.257 1.831 6.277 1.00 3.11 C ATOM 900 CG1 VAL A 54 -5.494 0.693 6.997 1.00 74.54 C ATOM 901 CG2 VAL A 54 -5.517 2.262 4.983 1.00 61.51 C ATOM 0 H VAL A 54 -7.321 0.497 4.151 1.00 21.13 H new ATOM 0 HA VAL A 54 -8.183 1.098 6.932 1.00 10.13 H new ATOM 0 HB VAL A 54 -6.283 2.694 6.943 1.00 3.11 H new ATOM 0 HG11 VAL A 54 -4.466 1.005 7.184 1.00 74.54 H new ATOM 0 HG12 VAL A 54 -5.983 0.470 7.945 1.00 74.54 H new ATOM 0 HG13 VAL A 54 -5.494 -0.199 6.370 1.00 74.54 H new ATOM 0 HG21 VAL A 54 -4.490 2.536 5.225 1.00 61.51 H new ATOM 0 HG22 VAL A 54 -5.514 1.435 4.273 1.00 61.51 H new ATOM 0 HG23 VAL A 54 -6.026 3.118 4.541 1.00 61.51 H new ATOM 911 N ARG A 55 -9.065 3.480 6.297 1.00 63.50 N ATOM 912 CA ARG A 55 -9.824 4.677 5.864 1.00 63.11 C ATOM 913 C ARG A 55 -9.260 5.932 6.550 1.00 14.22 C ATOM 914 O ARG A 55 -8.379 6.606 5.997 1.00 2.43 O ATOM 915 CB ARG A 55 -11.342 4.507 6.148 1.00 1.14 C ATOM 916 CG ARG A 55 -11.978 3.261 5.498 1.00 54.32 C ATOM 917 CD ARG A 55 -13.484 3.157 5.759 1.00 21.20 C ATOM 918 NE ARG A 55 -14.084 2.023 5.039 1.00 2.33 N ATOM 919 CZ ARG A 55 -15.356 1.949 4.625 1.00 51.20 C ATOM 920 NH1 ARG A 55 -16.213 2.950 4.843 1.00 51.12 N ATOM 921 NH2 ARG A 55 -15.763 0.862 3.990 1.00 53.13 N ATOM 0 H ARG A 55 -8.995 3.377 7.309 1.00 63.50 H new ATOM 0 HA ARG A 55 -9.709 4.795 4.786 1.00 63.11 H new ATOM 0 HB2 ARG A 55 -11.494 4.456 7.226 1.00 1.14 H new ATOM 0 HB3 ARG A 55 -11.867 5.394 5.794 1.00 1.14 H new ATOM 0 HG2 ARG A 55 -11.802 3.288 4.423 1.00 54.32 H new ATOM 0 HG3 ARG A 55 -11.485 2.367 5.880 1.00 54.32 H new ATOM 0 HD2 ARG A 55 -13.661 3.044 6.829 1.00 21.20 H new ATOM 0 HD3 ARG A 55 -13.971 4.082 5.452 1.00 21.20 H new ATOM 0 HE ARG A 55 -13.480 1.226 4.838 1.00 2.33 H new ATOM 0 HH11 ARG A 55 -15.903 3.789 5.332 1.00 51.12 H new ATOM 0 HH12 ARG A 55 -17.178 2.875 4.520 1.00 51.12 H new ATOM 0 HH21 ARG A 55 -15.111 0.095 3.822 1.00 53.13 H new ATOM 0 HH22 ARG A 55 -16.728 0.790 3.669 1.00 53.13 H new ATOM 935 N ASN A 56 -9.744 6.219 7.775 1.00 74.24 N ATOM 936 CA ASN A 56 -9.269 7.353 8.571 1.00 75.11 C ATOM 937 C ASN A 56 -8.085 6.882 9.415 1.00 4.00 C ATOM 938 O ASN A 56 -8.240 6.464 10.569 1.00 43.22 O ATOM 939 CB ASN A 56 -10.398 7.950 9.463 1.00 73.30 C ATOM 940 CG ASN A 56 -11.525 8.656 8.693 1.00 35.10 C ATOM 941 OD1 ASN A 56 -12.028 9.698 9.126 1.00 23.53 O ATOM 942 ND2 ASN A 56 -11.972 8.088 7.581 1.00 10.32 N ATOM 0 H ASN A 56 -10.472 5.670 8.233 1.00 74.24 H new ATOM 0 HA ASN A 56 -8.954 8.155 7.904 1.00 75.11 H new ATOM 0 HB2 ASN A 56 -10.832 7.148 10.060 1.00 73.30 H new ATOM 0 HB3 ASN A 56 -9.953 8.660 10.160 1.00 73.30 H new ATOM 0 HD21 ASN A 56 -12.745 8.512 7.067 1.00 10.32 H new ATOM 0 HD22 ASN A 56 -11.543 7.228 7.240 1.00 10.32 H new ATOM 949 N ILE A 57 -6.911 6.883 8.786 1.00 24.43 N ATOM 950 CA ILE A 57 -5.634 6.512 9.424 1.00 53.42 C ATOM 951 C ILE A 57 -4.748 7.748 9.611 1.00 34.32 C ATOM 952 O ILE A 57 -5.008 8.798 9.021 1.00 20.14 O ATOM 953 CB ILE A 57 -4.878 5.362 8.618 1.00 24.13 C ATOM 954 CG1 ILE A 57 -5.058 5.467 7.055 1.00 52.14 C ATOM 955 CG2 ILE A 57 -5.326 3.969 9.126 1.00 14.01 C ATOM 956 CD1 ILE A 57 -4.414 6.672 6.384 1.00 0.22 C ATOM 0 H ILE A 57 -6.811 7.144 7.805 1.00 24.43 H new ATOM 0 HA ILE A 57 -5.859 6.105 10.410 1.00 53.42 H new ATOM 0 HB ILE A 57 -3.814 5.497 8.810 1.00 24.13 H new ATOM 0 HG12 ILE A 57 -4.650 4.564 6.602 1.00 52.14 H new ATOM 0 HG13 ILE A 57 -6.125 5.481 6.833 1.00 52.14 H new ATOM 0 HG21 ILE A 57 -4.803 3.193 8.568 1.00 14.01 H new ATOM 0 HG22 ILE A 57 -5.090 3.875 10.186 1.00 14.01 H new ATOM 0 HG23 ILE A 57 -6.401 3.858 8.982 1.00 14.01 H new ATOM 0 HD11 ILE A 57 -4.605 6.636 5.311 1.00 0.22 H new ATOM 0 HD12 ILE A 57 -4.837 7.588 6.797 1.00 0.22 H new ATOM 0 HD13 ILE A 57 -3.339 6.656 6.562 1.00 0.22 H new ATOM 968 N SER A 58 -3.716 7.611 10.447 1.00 15.41 N ATOM 969 CA SER A 58 -2.729 8.673 10.715 1.00 42.02 C ATOM 970 C SER A 58 -1.390 8.354 9.994 1.00 2.23 C ATOM 971 O SER A 58 -1.292 7.344 9.295 1.00 53.12 O ATOM 972 CB SER A 58 -2.562 8.813 12.238 1.00 25.21 C ATOM 973 OG SER A 58 -3.800 9.006 12.875 1.00 60.24 O ATOM 0 H SER A 58 -3.536 6.751 10.966 1.00 15.41 H new ATOM 0 HA SER A 58 -3.074 9.629 10.321 1.00 42.02 H new ATOM 0 HB2 SER A 58 -2.082 7.919 12.636 1.00 25.21 H new ATOM 0 HB3 SER A 58 -1.903 9.653 12.457 1.00 25.21 H new ATOM 0 HG SER A 58 -3.661 9.090 13.841 1.00 60.24 H new ATOM 979 N LYS A 59 -0.377 9.224 10.176 1.00 31.04 N ATOM 980 CA LYS A 59 0.892 9.182 9.397 1.00 63.43 C ATOM 981 C LYS A 59 1.722 7.897 9.642 1.00 72.31 C ATOM 982 O LYS A 59 2.350 7.393 8.717 1.00 22.43 O ATOM 983 CB LYS A 59 1.777 10.449 9.636 1.00 62.21 C ATOM 984 CG LYS A 59 2.424 10.594 11.042 1.00 72.24 C ATOM 985 CD LYS A 59 1.401 10.873 12.166 1.00 23.31 C ATOM 986 CE LYS A 59 2.060 11.195 13.510 1.00 12.31 C ATOM 987 NZ LYS A 59 2.923 12.409 13.448 1.00 54.12 N ATOM 0 H LYS A 59 -0.408 9.977 10.864 1.00 31.04 H new ATOM 0 HA LYS A 59 0.579 9.171 8.353 1.00 63.43 H new ATOM 0 HB2 LYS A 59 2.574 10.452 8.893 1.00 62.21 H new ATOM 0 HB3 LYS A 59 1.165 11.332 9.451 1.00 62.21 H new ATOM 0 HG2 LYS A 59 2.970 9.681 11.278 1.00 72.24 H new ATOM 0 HG3 LYS A 59 3.153 11.404 11.016 1.00 72.24 H new ATOM 0 HD2 LYS A 59 0.764 11.707 11.871 1.00 23.31 H new ATOM 0 HD3 LYS A 59 0.754 10.004 12.284 1.00 23.31 H new ATOM 0 HE2 LYS A 59 1.287 11.341 14.264 1.00 12.31 H new ATOM 0 HE3 LYS A 59 2.660 10.343 13.830 1.00 12.31 H new ATOM 0 HZ1 LYS A 59 3.153 12.721 14.413 1.00 54.12 H new ATOM 0 HZ2 LYS A 59 3.801 12.185 12.938 1.00 54.12 H new ATOM 0 HZ3 LYS A 59 2.418 13.169 12.949 1.00 54.12 H new ATOM 1001 N GLU A 60 1.740 7.385 10.878 1.00 51.41 N ATOM 1002 CA GLU A 60 2.477 6.140 11.212 1.00 70.23 C ATOM 1003 C GLU A 60 1.609 4.905 10.917 1.00 1.22 C ATOM 1004 O GLU A 60 2.133 3.817 10.638 1.00 21.21 O ATOM 1005 CB GLU A 60 2.965 6.126 12.697 1.00 3.54 C ATOM 1006 CG GLU A 60 1.879 6.006 13.790 1.00 73.02 C ATOM 1007 CD GLU A 60 0.982 7.239 13.923 1.00 21.24 C ATOM 1008 OE1 GLU A 60 -0.016 7.326 13.202 1.00 33.30 O ATOM 1009 OE2 GLU A 60 1.287 8.136 14.732 1.00 70.01 O ATOM 0 H GLU A 60 1.255 7.807 11.670 1.00 51.41 H new ATOM 0 HA GLU A 60 3.364 6.109 10.580 1.00 70.23 H new ATOM 0 HB2 GLU A 60 3.660 5.295 12.817 1.00 3.54 H new ATOM 0 HB3 GLU A 60 3.528 7.042 12.878 1.00 3.54 H new ATOM 0 HG2 GLU A 60 1.255 5.139 13.573 1.00 73.02 H new ATOM 0 HG3 GLU A 60 2.363 5.818 14.748 1.00 73.02 H new ATOM 1016 N GLU A 61 0.282 5.086 11.008 1.00 13.53 N ATOM 1017 CA GLU A 61 -0.700 4.033 10.685 1.00 33.14 C ATOM 1018 C GLU A 61 -0.623 3.635 9.199 1.00 5.50 C ATOM 1019 O GLU A 61 -0.626 2.445 8.873 1.00 24.04 O ATOM 1020 CB GLU A 61 -2.135 4.487 11.036 1.00 53.51 C ATOM 1021 CG GLU A 61 -2.343 4.944 12.492 1.00 53.24 C ATOM 1022 CD GLU A 61 -1.944 3.897 13.548 1.00 11.50 C ATOM 1023 OE1 GLU A 61 -2.692 2.921 13.740 1.00 75.20 O ATOM 1024 OE2 GLU A 61 -0.891 4.047 14.193 1.00 14.35 O ATOM 0 H GLU A 61 -0.142 5.964 11.307 1.00 13.53 H new ATOM 0 HA GLU A 61 -0.452 3.160 11.289 1.00 33.14 H new ATOM 0 HB2 GLU A 61 -2.412 5.306 10.372 1.00 53.51 H new ATOM 0 HB3 GLU A 61 -2.819 3.664 10.829 1.00 53.51 H new ATOM 0 HG2 GLU A 61 -1.765 5.852 12.661 1.00 53.24 H new ATOM 0 HG3 GLU A 61 -3.392 5.203 12.633 1.00 53.24 H new ATOM 1031 N LEU A 62 -0.526 4.646 8.299 1.00 40.12 N ATOM 1032 CA LEU A 62 -0.445 4.408 6.844 1.00 40.02 C ATOM 1033 C LEU A 62 0.886 3.738 6.468 1.00 72.33 C ATOM 1034 O LEU A 62 0.981 3.068 5.432 1.00 51.30 O ATOM 1035 CB LEU A 62 -0.700 5.712 6.024 1.00 40.21 C ATOM 1036 CG LEU A 62 0.270 6.937 6.234 1.00 25.13 C ATOM 1037 CD1 LEU A 62 1.623 6.788 5.488 1.00 42.24 C ATOM 1038 CD2 LEU A 62 -0.420 8.255 5.843 1.00 43.12 C ATOM 0 H LEU A 62 -0.502 5.632 8.560 1.00 40.12 H new ATOM 0 HA LEU A 62 -1.244 3.716 6.578 1.00 40.02 H new ATOM 0 HB2 LEU A 62 -0.676 5.448 4.967 1.00 40.21 H new ATOM 0 HB3 LEU A 62 -1.712 6.050 6.245 1.00 40.21 H new ATOM 0 HG LEU A 62 0.506 6.957 7.298 1.00 25.13 H new ATOM 0 HD11 LEU A 62 2.241 7.666 5.676 1.00 42.24 H new ATOM 0 HD12 LEU A 62 2.139 5.897 5.846 1.00 42.24 H new ATOM 0 HD13 LEU A 62 1.440 6.696 4.417 1.00 42.24 H new ATOM 0 HD21 LEU A 62 0.269 9.086 5.996 1.00 43.12 H new ATOM 0 HD22 LEU A 62 -0.713 8.215 4.794 1.00 43.12 H new ATOM 0 HD23 LEU A 62 -1.306 8.399 6.461 1.00 43.12 H new ATOM 1050 N LYS A 63 1.908 3.929 7.330 1.00 74.25 N ATOM 1051 CA LYS A 63 3.217 3.293 7.154 1.00 51.24 C ATOM 1052 C LYS A 63 3.107 1.774 7.266 1.00 3.21 C ATOM 1053 O LYS A 63 3.859 1.063 6.605 1.00 55.33 O ATOM 1054 CB LYS A 63 4.261 3.843 8.148 1.00 72.44 C ATOM 1055 CG LYS A 63 4.659 5.299 7.873 1.00 14.13 C ATOM 1056 CD LYS A 63 5.696 5.827 8.882 1.00 1.34 C ATOM 1057 CE LYS A 63 6.102 7.274 8.595 1.00 22.23 C ATOM 1058 NZ LYS A 63 7.149 7.755 9.534 1.00 74.53 N ATOM 0 H LYS A 63 1.843 4.523 8.157 1.00 74.25 H new ATOM 0 HA LYS A 63 3.563 3.538 6.150 1.00 51.24 H new ATOM 0 HB2 LYS A 63 3.862 3.768 9.160 1.00 72.44 H new ATOM 0 HB3 LYS A 63 5.153 3.217 8.110 1.00 72.44 H new ATOM 0 HG2 LYS A 63 5.065 5.377 6.865 1.00 14.13 H new ATOM 0 HG3 LYS A 63 3.770 5.928 7.908 1.00 14.13 H new ATOM 0 HD2 LYS A 63 5.286 5.760 9.890 1.00 1.34 H new ATOM 0 HD3 LYS A 63 6.581 5.192 8.856 1.00 1.34 H new ATOM 0 HE2 LYS A 63 6.469 7.351 7.572 1.00 22.23 H new ATOM 0 HE3 LYS A 63 5.226 7.918 8.668 1.00 22.23 H new ATOM 0 HZ1 LYS A 63 7.395 8.739 9.305 1.00 74.53 H new ATOM 0 HZ2 LYS A 63 6.790 7.706 10.509 1.00 74.53 H new ATOM 0 HZ3 LYS A 63 7.995 7.157 9.446 1.00 74.53 H new ATOM 1072 N LYS A 64 2.118 1.288 8.051 1.00 21.41 N ATOM 1073 CA LYS A 64 1.885 -0.155 8.223 1.00 1.05 C ATOM 1074 C LYS A 64 1.449 -0.814 6.906 1.00 13.11 C ATOM 1075 O LYS A 64 1.608 -2.016 6.752 1.00 1.42 O ATOM 1076 CB LYS A 64 0.853 -0.431 9.345 1.00 3.14 C ATOM 1077 CG LYS A 64 1.280 0.071 10.743 1.00 11.33 C ATOM 1078 CD LYS A 64 2.654 -0.474 11.214 1.00 23.22 C ATOM 1079 CE LYS A 64 2.703 -2.013 11.310 1.00 1.23 C ATOM 1080 NZ LYS A 64 4.051 -2.495 11.715 1.00 23.23 N ATOM 0 H LYS A 64 1.471 1.879 8.573 1.00 21.41 H new ATOM 0 HA LYS A 64 2.833 -0.602 8.523 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -0.092 0.040 9.076 1.00 3.14 H new ATOM 0 HB3 LYS A 64 0.670 -1.504 9.398 1.00 3.14 H new ATOM 0 HG2 LYS A 64 1.317 1.160 10.731 1.00 11.33 H new ATOM 0 HG3 LYS A 64 0.519 -0.215 11.469 1.00 11.33 H new ATOM 0 HD2 LYS A 64 3.427 -0.136 10.524 1.00 23.22 H new ATOM 0 HD3 LYS A 64 2.890 -0.049 12.190 1.00 23.22 H new ATOM 0 HE2 LYS A 64 1.961 -2.357 12.031 1.00 1.23 H new ATOM 0 HE3 LYS A 64 2.435 -2.447 10.346 1.00 1.23 H new ATOM 0 HZ1 LYS A 64 4.046 -3.534 11.769 1.00 23.23 H new ATOM 0 HZ2 LYS A 64 4.755 -2.188 11.013 1.00 23.23 H new ATOM 0 HZ3 LYS A 64 4.295 -2.101 12.646 1.00 23.23 H new ATOM 1094 N LEU A 65 0.933 -0.009 5.955 1.00 3.24 N ATOM 1095 CA LEU A 65 0.546 -0.495 4.618 1.00 62.42 C ATOM 1096 C LEU A 65 1.801 -0.912 3.834 1.00 24.34 C ATOM 1097 O LEU A 65 1.944 -2.086 3.484 1.00 2.53 O ATOM 1098 CB LEU A 65 -0.279 0.586 3.849 1.00 72.24 C ATOM 1099 CG LEU A 65 -1.778 0.760 4.271 1.00 42.25 C ATOM 1100 CD1 LEU A 65 -2.585 -0.525 4.014 1.00 20.22 C ATOM 1101 CD2 LEU A 65 -1.917 1.216 5.735 1.00 72.00 C ATOM 0 H LEU A 65 0.774 0.989 6.092 1.00 3.24 H new ATOM 0 HA LEU A 65 -0.096 -1.369 4.729 1.00 62.42 H new ATOM 0 HB2 LEU A 65 0.222 1.546 3.970 1.00 72.24 H new ATOM 0 HB3 LEU A 65 -0.251 0.344 2.787 1.00 72.24 H new ATOM 0 HG LEU A 65 -2.194 1.550 3.645 1.00 42.25 H new ATOM 0 HD11 LEU A 65 -3.621 -0.371 4.317 1.00 20.22 H new ATOM 0 HD12 LEU A 65 -2.550 -0.770 2.952 1.00 20.22 H new ATOM 0 HD13 LEU A 65 -2.156 -1.345 4.590 1.00 20.22 H new ATOM 0 HD21 LEU A 65 -2.973 1.324 5.984 1.00 72.00 H new ATOM 0 HD22 LEU A 65 -1.463 0.474 6.392 1.00 72.00 H new ATOM 0 HD23 LEU A 65 -1.414 2.174 5.867 1.00 72.00 H new ATOM 1113 N LEU A 66 2.739 0.046 3.624 1.00 10.14 N ATOM 1114 CA LEU A 66 4.005 -0.234 2.906 1.00 35.54 C ATOM 1115 C LEU A 66 4.934 -1.155 3.717 1.00 51.43 C ATOM 1116 O LEU A 66 5.839 -1.750 3.139 1.00 24.05 O ATOM 1117 CB LEU A 66 4.760 1.048 2.448 1.00 55.24 C ATOM 1118 CG LEU A 66 5.139 2.104 3.556 1.00 1.31 C ATOM 1119 CD1 LEU A 66 6.490 2.793 3.259 1.00 54.33 C ATOM 1120 CD2 LEU A 66 4.028 3.166 3.712 1.00 2.52 C ATOM 0 H LEU A 66 2.642 1.011 3.939 1.00 10.14 H new ATOM 0 HA LEU A 66 3.708 -0.758 1.998 1.00 35.54 H new ATOM 0 HB2 LEU A 66 5.679 0.738 1.951 1.00 55.24 H new ATOM 0 HB3 LEU A 66 4.147 1.551 1.700 1.00 55.24 H new ATOM 0 HG LEU A 66 5.240 1.557 4.493 1.00 1.31 H new ATOM 0 HD11 LEU A 66 6.712 3.513 4.047 1.00 54.33 H new ATOM 0 HD12 LEU A 66 7.280 2.043 3.219 1.00 54.33 H new ATOM 0 HD13 LEU A 66 6.432 3.310 2.301 1.00 54.33 H new ATOM 0 HD21 LEU A 66 4.315 3.882 4.482 1.00 2.52 H new ATOM 0 HD22 LEU A 66 3.888 3.688 2.765 1.00 2.52 H new ATOM 0 HD23 LEU A 66 3.096 2.678 3.999 1.00 2.52 H new ATOM 1132 N GLU A 67 4.704 -1.256 5.046 1.00 23.54 N ATOM 1133 CA GLU A 67 5.385 -2.244 5.908 1.00 51.25 C ATOM 1134 C GLU A 67 4.985 -3.669 5.509 1.00 71.32 C ATOM 1135 O GLU A 67 5.845 -4.504 5.274 1.00 13.35 O ATOM 1136 CB GLU A 67 5.085 -2.003 7.417 1.00 4.13 C ATOM 1137 CG GLU A 67 5.872 -0.841 8.052 1.00 53.35 C ATOM 1138 CD GLU A 67 7.378 -1.129 8.163 1.00 74.44 C ATOM 1139 OE1 GLU A 67 7.822 -1.633 9.219 1.00 50.22 O ATOM 1140 OE2 GLU A 67 8.126 -0.874 7.195 1.00 70.15 O ATOM 0 H GLU A 67 4.046 -0.659 5.546 1.00 23.54 H new ATOM 0 HA GLU A 67 6.458 -2.119 5.761 1.00 51.25 H new ATOM 0 HB2 GLU A 67 4.019 -1.809 7.535 1.00 4.13 H new ATOM 0 HB3 GLU A 67 5.306 -2.917 7.968 1.00 4.13 H new ATOM 0 HG2 GLU A 67 5.722 0.060 7.457 1.00 53.35 H new ATOM 0 HG3 GLU A 67 5.472 -0.638 9.045 1.00 53.35 H new ATOM 1147 N ARG A 68 3.673 -3.916 5.404 1.00 40.33 N ATOM 1148 CA ARG A 68 3.136 -5.240 5.021 1.00 1.31 C ATOM 1149 C ARG A 68 3.664 -5.667 3.641 1.00 70.44 C ATOM 1150 O ARG A 68 4.039 -6.818 3.447 1.00 72.41 O ATOM 1151 CB ARG A 68 1.595 -5.194 5.014 1.00 52.20 C ATOM 1152 CG ARG A 68 0.942 -4.922 6.398 1.00 35.21 C ATOM 1153 CD ARG A 68 0.599 -6.188 7.176 1.00 1.00 C ATOM 1154 NE ARG A 68 1.784 -6.982 7.547 1.00 13.11 N ATOM 1155 CZ ARG A 68 1.821 -8.322 7.588 1.00 31.14 C ATOM 1156 NH1 ARG A 68 0.753 -9.040 7.277 1.00 24.51 N ATOM 1157 NH2 ARG A 68 2.917 -8.933 7.978 1.00 73.41 N ATOM 0 H ARG A 68 2.954 -3.214 5.579 1.00 40.33 H new ATOM 0 HA ARG A 68 3.470 -5.976 5.752 1.00 1.31 H new ATOM 0 HB2 ARG A 68 1.272 -4.420 4.318 1.00 52.20 H new ATOM 0 HB3 ARG A 68 1.219 -6.143 4.632 1.00 52.20 H new ATOM 0 HG2 ARG A 68 1.620 -4.312 6.995 1.00 35.21 H new ATOM 0 HG3 ARG A 68 0.033 -4.339 6.252 1.00 35.21 H new ATOM 0 HD2 ARG A 68 0.056 -5.915 8.080 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -0.070 -6.805 6.576 1.00 1.00 H new ATOM 0 HE ARG A 68 2.636 -6.477 7.790 1.00 13.11 H new ATOM 0 HH11 ARG A 68 -0.112 -8.575 7.002 1.00 24.51 H new ATOM 0 HH12 ARG A 68 0.795 -10.059 7.312 1.00 24.51 H new ATOM 0 HH21 ARG A 68 3.736 -8.388 8.248 1.00 73.41 H new ATOM 0 HH22 ARG A 68 2.949 -9.952 8.010 1.00 73.41 H new ATOM 1171 N ILE A 69 3.714 -4.691 2.719 1.00 55.30 N ATOM 1172 CA ILE A 69 4.209 -4.868 1.339 1.00 72.24 C ATOM 1173 C ILE A 69 5.700 -5.257 1.331 1.00 24.32 C ATOM 1174 O ILE A 69 6.086 -6.270 0.730 1.00 21.02 O ATOM 1175 CB ILE A 69 3.997 -3.539 0.516 1.00 32.54 C ATOM 1176 CG1 ILE A 69 2.488 -3.136 0.531 1.00 71.00 C ATOM 1177 CG2 ILE A 69 4.533 -3.665 -0.936 1.00 23.41 C ATOM 1178 CD1 ILE A 69 2.191 -1.749 0.005 1.00 12.12 C ATOM 0 H ILE A 69 3.406 -3.738 2.913 1.00 55.30 H new ATOM 0 HA ILE A 69 3.642 -5.676 0.875 1.00 72.24 H new ATOM 0 HB ILE A 69 4.575 -2.749 0.995 1.00 32.54 H new ATOM 0 HG12 ILE A 69 1.928 -3.860 -0.061 1.00 71.00 H new ATOM 0 HG13 ILE A 69 2.119 -3.207 1.554 1.00 71.00 H new ATOM 0 HG21 ILE A 69 4.367 -2.728 -1.468 1.00 23.41 H new ATOM 0 HG22 ILE A 69 5.600 -3.885 -0.912 1.00 23.41 H new ATOM 0 HG23 ILE A 69 4.008 -4.471 -1.449 1.00 23.41 H new ATOM 0 HD11 ILE A 69 1.118 -1.562 0.056 1.00 12.12 H new ATOM 0 HD12 ILE A 69 2.717 -1.010 0.610 1.00 12.12 H new ATOM 0 HD13 ILE A 69 2.523 -1.674 -1.030 1.00 12.12 H new ATOM 1190 N ARG A 70 6.522 -4.463 2.061 1.00 45.51 N ATOM 1191 CA ARG A 70 7.985 -4.637 2.070 1.00 14.02 C ATOM 1192 C ARG A 70 8.372 -5.965 2.719 1.00 2.24 C ATOM 1193 O ARG A 70 9.374 -6.556 2.335 1.00 70.42 O ATOM 1194 CB ARG A 70 8.703 -3.441 2.748 1.00 30.10 C ATOM 1195 CG ARG A 70 8.462 -3.216 4.254 1.00 22.21 C ATOM 1196 CD ARG A 70 9.483 -3.888 5.167 1.00 51.32 C ATOM 1197 NE ARG A 70 9.172 -3.679 6.586 1.00 72.40 N ATOM 1198 CZ ARG A 70 9.323 -4.586 7.550 1.00 22.55 C ATOM 1199 NH1 ARG A 70 9.799 -5.802 7.282 1.00 21.25 N ATOM 1200 NH2 ARG A 70 9.035 -4.259 8.792 1.00 33.51 N ATOM 0 H ARG A 70 6.191 -3.698 2.649 1.00 45.51 H new ATOM 0 HA ARG A 70 8.320 -4.661 1.033 1.00 14.02 H new ATOM 0 HB2 ARG A 70 9.775 -3.564 2.595 1.00 30.10 H new ATOM 0 HB3 ARG A 70 8.409 -2.532 2.223 1.00 30.10 H new ATOM 0 HG2 ARG A 70 8.466 -2.144 4.453 1.00 22.21 H new ATOM 0 HG3 ARG A 70 7.468 -3.584 4.509 1.00 22.21 H new ATOM 0 HD2 ARG A 70 9.511 -4.957 4.955 1.00 51.32 H new ATOM 0 HD3 ARG A 70 10.476 -3.495 4.952 1.00 51.32 H new ATOM 0 HE ARG A 70 8.811 -2.764 6.856 1.00 72.40 H new ATOM 0 HH11 ARG A 70 10.054 -6.051 6.326 1.00 21.25 H new ATOM 0 HH12 ARG A 70 9.908 -6.484 8.033 1.00 21.25 H new ATOM 0 HH21 ARG A 70 8.700 -3.320 9.008 1.00 33.51 H new ATOM 0 HH22 ARG A 70 9.146 -4.945 9.539 1.00 33.51 H new ATOM 1214 N GLU A 71 7.530 -6.431 3.676 1.00 53.12 N ATOM 1215 CA GLU A 71 7.712 -7.722 4.340 1.00 73.55 C ATOM 1216 C GLU A 71 7.601 -8.842 3.302 1.00 24.14 C ATOM 1217 O GLU A 71 8.410 -9.771 3.304 1.00 53.24 O ATOM 1218 CB GLU A 71 6.658 -7.928 5.456 1.00 3.23 C ATOM 1219 CG GLU A 71 6.835 -7.026 6.682 1.00 54.12 C ATOM 1220 CD GLU A 71 5.707 -7.177 7.707 1.00 72.32 C ATOM 1221 OE1 GLU A 71 5.688 -8.194 8.430 1.00 33.00 O ATOM 1222 OE2 GLU A 71 4.822 -6.298 7.791 1.00 25.21 O ATOM 0 H GLU A 71 6.712 -5.915 4.000 1.00 53.12 H new ATOM 0 HA GLU A 71 8.699 -7.742 4.803 1.00 73.55 H new ATOM 0 HB2 GLU A 71 5.667 -7.756 5.036 1.00 3.23 H new ATOM 0 HB3 GLU A 71 6.691 -8.968 5.780 1.00 3.23 H new ATOM 0 HG2 GLU A 71 7.786 -7.257 7.161 1.00 54.12 H new ATOM 0 HG3 GLU A 71 6.886 -5.987 6.357 1.00 54.12 H new ATOM 1229 N LYS A 72 6.626 -8.685 2.372 1.00 53.32 N ATOM 1230 CA LYS A 72 6.320 -9.700 1.356 1.00 23.54 C ATOM 1231 C LYS A 72 7.506 -9.848 0.397 1.00 73.31 C ATOM 1232 O LYS A 72 8.038 -10.937 0.241 1.00 11.21 O ATOM 1233 CB LYS A 72 5.027 -9.348 0.553 1.00 52.25 C ATOM 1234 CG LYS A 72 3.749 -9.128 1.392 1.00 20.20 C ATOM 1235 CD LYS A 72 3.485 -10.260 2.405 1.00 52.42 C ATOM 1236 CE LYS A 72 2.136 -10.116 3.134 1.00 22.34 C ATOM 1237 NZ LYS A 72 2.068 -8.890 3.984 1.00 34.31 N ATOM 0 H LYS A 72 6.038 -7.854 2.313 1.00 53.32 H new ATOM 0 HA LYS A 72 6.142 -10.644 1.872 1.00 23.54 H new ATOM 0 HB2 LYS A 72 5.217 -8.445 -0.027 1.00 52.25 H new ATOM 0 HB3 LYS A 72 4.836 -10.150 -0.160 1.00 52.25 H new ATOM 0 HG2 LYS A 72 3.832 -8.182 1.927 1.00 20.20 H new ATOM 0 HG3 LYS A 72 2.893 -9.041 0.723 1.00 20.20 H new ATOM 0 HD2 LYS A 72 3.510 -11.218 1.885 1.00 52.42 H new ATOM 0 HD3 LYS A 72 4.289 -10.276 3.141 1.00 52.42 H new ATOM 0 HE2 LYS A 72 1.332 -10.089 2.399 1.00 22.34 H new ATOM 0 HE3 LYS A 72 1.969 -10.995 3.757 1.00 22.34 H new ATOM 0 HZ1 LYS A 72 1.905 -9.163 4.974 1.00 34.31 H new ATOM 0 HZ2 LYS A 72 2.964 -8.367 3.912 1.00 34.31 H new ATOM 0 HZ3 LYS A 72 1.287 -8.285 3.659 1.00 34.31 H new ATOM 1251 N ILE A 73 7.948 -8.716 -0.180 1.00 62.11 N ATOM 1252 CA ILE A 73 8.987 -8.711 -1.237 1.00 22.44 C ATOM 1253 C ILE A 73 10.405 -8.997 -0.689 1.00 3.54 C ATOM 1254 O ILE A 73 11.249 -9.522 -1.427 1.00 1.30 O ATOM 1255 CB ILE A 73 8.959 -7.367 -2.066 1.00 43.03 C ATOM 1256 CG1 ILE A 73 9.233 -6.115 -1.174 1.00 25.15 C ATOM 1257 CG2 ILE A 73 7.609 -7.223 -2.808 1.00 41.11 C ATOM 1258 CD1 ILE A 73 9.160 -4.775 -1.904 1.00 33.24 C ATOM 0 H ILE A 73 7.603 -7.788 0.066 1.00 62.11 H new ATOM 0 HA ILE A 73 8.742 -9.533 -1.910 1.00 22.44 H new ATOM 0 HB ILE A 73 9.765 -7.419 -2.798 1.00 43.03 H new ATOM 0 HG12 ILE A 73 8.513 -6.106 -0.356 1.00 25.15 H new ATOM 0 HG13 ILE A 73 10.222 -6.215 -0.727 1.00 25.15 H new ATOM 0 HG21 ILE A 73 7.603 -6.292 -3.375 1.00 41.11 H new ATOM 0 HG22 ILE A 73 7.476 -8.064 -3.489 1.00 41.11 H new ATOM 0 HG23 ILE A 73 6.795 -7.211 -2.083 1.00 41.11 H new ATOM 0 HD11 ILE A 73 9.364 -3.967 -1.202 1.00 33.24 H new ATOM 0 HD12 ILE A 73 9.900 -4.756 -2.705 1.00 33.24 H new ATOM 0 HD13 ILE A 73 8.164 -4.645 -2.327 1.00 33.24 H new ATOM 1270 N GLU A 74 10.656 -8.692 0.609 1.00 14.04 N ATOM 1271 CA GLU A 74 11.978 -8.955 1.234 1.00 30.10 C ATOM 1272 C GLU A 74 12.118 -10.448 1.592 1.00 61.43 C ATOM 1273 O GLU A 74 13.200 -11.024 1.432 1.00 14.22 O ATOM 1274 CB GLU A 74 12.235 -8.067 2.493 1.00 33.53 C ATOM 1275 CG GLU A 74 11.446 -8.470 3.763 1.00 10.13 C ATOM 1276 CD GLU A 74 11.703 -7.554 4.970 1.00 54.02 C ATOM 1277 OE1 GLU A 74 11.452 -6.347 4.858 1.00 11.25 O ATOM 1278 OE2 GLU A 74 12.136 -8.035 6.036 1.00 61.41 O ATOM 0 H GLU A 74 9.971 -8.270 1.236 1.00 14.04 H new ATOM 0 HA GLU A 74 12.735 -8.689 0.497 1.00 30.10 H new ATOM 0 HB2 GLU A 74 13.300 -8.093 2.724 1.00 33.53 H new ATOM 0 HB3 GLU A 74 11.988 -7.035 2.245 1.00 33.53 H new ATOM 0 HG2 GLU A 74 10.380 -8.464 3.534 1.00 10.13 H new ATOM 0 HG3 GLU A 74 11.708 -9.493 4.033 1.00 10.13 H new ATOM 1285 N ARG A 75 11.020 -11.072 2.089 1.00 1.54 N ATOM 1286 CA ARG A 75 11.055 -12.480 2.527 1.00 1.14 C ATOM 1287 C ARG A 75 10.966 -13.419 1.318 1.00 53.03 C ATOM 1288 O ARG A 75 11.628 -14.460 1.282 1.00 71.50 O ATOM 1289 CB ARG A 75 9.937 -12.786 3.565 1.00 64.45 C ATOM 1290 CG ARG A 75 8.498 -12.882 3.014 1.00 13.20 C ATOM 1291 CD ARG A 75 7.453 -13.109 4.118 1.00 3.41 C ATOM 1292 NE ARG A 75 7.740 -14.321 4.913 1.00 31.45 N ATOM 1293 CZ ARG A 75 6.890 -15.335 5.134 1.00 72.31 C ATOM 1294 NH1 ARG A 75 5.655 -15.327 4.627 1.00 74.40 N ATOM 1295 NH2 ARG A 75 7.294 -16.368 5.855 1.00 64.11 N ATOM 0 H ARG A 75 10.110 -10.623 2.194 1.00 1.54 H new ATOM 0 HA ARG A 75 12.009 -12.653 3.025 1.00 1.14 H new ATOM 0 HB2 ARG A 75 10.177 -13.727 4.059 1.00 64.45 H new ATOM 0 HB3 ARG A 75 9.959 -12.010 4.330 1.00 64.45 H new ATOM 0 HG2 ARG A 75 8.258 -11.965 2.475 1.00 13.20 H new ATOM 0 HG3 ARG A 75 8.443 -13.699 2.294 1.00 13.20 H new ATOM 0 HD2 ARG A 75 7.428 -12.241 4.777 1.00 3.41 H new ATOM 0 HD3 ARG A 75 6.464 -13.197 3.668 1.00 3.41 H new ATOM 0 HE ARG A 75 8.668 -14.393 5.331 1.00 31.45 H new ATOM 0 HH11 ARG A 75 5.342 -14.540 4.059 1.00 74.40 H new ATOM 0 HH12 ARG A 75 5.025 -16.108 4.807 1.00 74.40 H new ATOM 0 HH21 ARG A 75 8.241 -16.386 6.234 1.00 64.11 H new ATOM 0 HH22 ARG A 75 6.659 -17.146 6.031 1.00 64.11 H new ATOM 1309 N GLU A 76 10.164 -13.017 0.317 1.00 12.33 N ATOM 1310 CA GLU A 76 9.962 -13.781 -0.916 1.00 42.33 C ATOM 1311 C GLU A 76 11.226 -13.720 -1.775 1.00 51.44 C ATOM 1312 O GLU A 76 11.808 -14.756 -2.118 1.00 52.11 O ATOM 1313 CB GLU A 76 8.743 -13.221 -1.701 1.00 65.02 C ATOM 1314 CG GLU A 76 8.447 -13.916 -3.045 1.00 10.22 C ATOM 1315 CD GLU A 76 8.166 -15.423 -2.909 1.00 53.12 C ATOM 1316 OE1 GLU A 76 7.061 -15.785 -2.461 1.00 64.21 O ATOM 1317 OE2 GLU A 76 9.044 -16.246 -3.253 1.00 61.42 O ATOM 0 H GLU A 76 9.636 -12.145 0.346 1.00 12.33 H new ATOM 0 HA GLU A 76 9.759 -14.821 -0.662 1.00 42.33 H new ATOM 0 HB2 GLU A 76 7.858 -13.298 -1.069 1.00 65.02 H new ATOM 0 HB3 GLU A 76 8.909 -12.160 -1.889 1.00 65.02 H new ATOM 0 HG2 GLU A 76 7.587 -13.435 -3.512 1.00 10.22 H new ATOM 0 HG3 GLU A 76 9.295 -13.772 -3.714 1.00 10.22 H new ATOM 1324 N GLY A 77 11.641 -12.493 -2.116 1.00 33.03 N ATOM 1325 CA GLY A 77 12.781 -12.278 -2.996 1.00 2.05 C ATOM 1326 C GLY A 77 12.374 -12.267 -4.465 1.00 20.14 C ATOM 1327 O GLY A 77 12.760 -11.360 -5.199 1.00 52.51 O ATOM 0 H GLY A 77 11.197 -11.634 -1.790 1.00 33.03 H new ATOM 0 HA2 GLY A 77 13.259 -11.331 -2.745 1.00 2.05 H new ATOM 0 HA3 GLY A 77 13.520 -13.062 -2.830 1.00 2.05 H new ATOM 1331 N SER A 78 11.589 -13.289 -4.880 1.00 51.00 N ATOM 1332 CA SER A 78 11.089 -13.437 -6.262 1.00 34.12 C ATOM 1333 C SER A 78 10.384 -12.154 -6.745 1.00 41.33 C ATOM 1334 O SER A 78 9.387 -11.723 -6.143 1.00 54.24 O ATOM 1335 CB SER A 78 10.107 -14.625 -6.330 1.00 44.13 C ATOM 1336 OG SER A 78 10.680 -15.804 -5.791 1.00 74.21 O ATOM 0 H SER A 78 11.284 -14.038 -4.258 1.00 51.00 H new ATOM 0 HA SER A 78 11.942 -13.620 -6.915 1.00 34.12 H new ATOM 0 HB2 SER A 78 9.197 -14.378 -5.783 1.00 44.13 H new ATOM 0 HB3 SER A 78 9.818 -14.801 -7.366 1.00 44.13 H new ATOM 0 HG SER A 78 10.211 -16.048 -4.966 1.00 74.21 H new ATOM 1342 N SER A 79 10.939 -11.548 -7.811 1.00 62.34 N ATOM 1343 CA SER A 79 10.432 -10.299 -8.405 1.00 55.14 C ATOM 1344 C SER A 79 9.116 -10.559 -9.178 1.00 1.20 C ATOM 1345 O SER A 79 9.101 -10.696 -10.413 1.00 11.34 O ATOM 1346 CB SER A 79 11.523 -9.655 -9.309 1.00 72.14 C ATOM 1347 OG SER A 79 12.708 -9.386 -8.569 1.00 12.41 O ATOM 0 H SER A 79 11.761 -11.917 -8.289 1.00 62.34 H new ATOM 0 HA SER A 79 10.202 -9.591 -7.609 1.00 55.14 H new ATOM 0 HB2 SER A 79 11.753 -10.323 -10.139 1.00 72.14 H new ATOM 0 HB3 SER A 79 11.142 -8.729 -9.741 1.00 72.14 H new ATOM 0 HG SER A 79 13.378 -8.983 -9.160 1.00 12.41 H new ATOM 1353 N GLU A 80 8.023 -10.687 -8.406 1.00 62.25 N ATOM 1354 CA GLU A 80 6.671 -10.912 -8.916 1.00 41.51 C ATOM 1355 C GLU A 80 5.688 -10.352 -7.881 1.00 2.02 C ATOM 1356 O GLU A 80 5.242 -11.066 -6.976 1.00 44.45 O ATOM 1357 CB GLU A 80 6.429 -12.429 -9.189 1.00 14.21 C ATOM 1358 CG GLU A 80 5.040 -12.764 -9.775 1.00 73.32 C ATOM 1359 CD GLU A 80 4.836 -14.263 -10.049 1.00 61.30 C ATOM 1360 OE1 GLU A 80 4.362 -14.986 -9.151 1.00 44.34 O ATOM 1361 OE2 GLU A 80 5.145 -14.724 -11.169 1.00 70.33 O ATOM 0 H GLU A 80 8.062 -10.635 -7.388 1.00 62.25 H new ATOM 0 HA GLU A 80 6.527 -10.403 -9.869 1.00 41.51 H new ATOM 0 HB2 GLU A 80 7.195 -12.787 -9.877 1.00 14.21 H new ATOM 0 HB3 GLU A 80 6.557 -12.977 -8.256 1.00 14.21 H new ATOM 0 HG2 GLU A 80 4.270 -12.421 -9.084 1.00 73.32 H new ATOM 0 HG3 GLU A 80 4.903 -12.211 -10.704 1.00 73.32 H new ATOM 1368 N VAL A 81 5.420 -9.042 -7.984 1.00 14.53 N ATOM 1369 CA VAL A 81 4.585 -8.309 -7.023 1.00 61.02 C ATOM 1370 C VAL A 81 3.706 -7.285 -7.755 1.00 75.21 C ATOM 1371 O VAL A 81 4.197 -6.509 -8.579 1.00 63.21 O ATOM 1372 CB VAL A 81 5.463 -7.597 -5.920 1.00 71.30 C ATOM 1373 CG1 VAL A 81 6.563 -6.694 -6.532 1.00 33.22 C ATOM 1374 CG2 VAL A 81 4.578 -6.809 -4.918 1.00 52.14 C ATOM 0 H VAL A 81 5.779 -8.459 -8.740 1.00 14.53 H new ATOM 0 HA VAL A 81 3.942 -9.030 -6.519 1.00 61.02 H new ATOM 0 HB VAL A 81 5.976 -8.385 -5.369 1.00 71.30 H new ATOM 0 HG11 VAL A 81 7.138 -6.228 -5.732 1.00 33.22 H new ATOM 0 HG12 VAL A 81 7.226 -7.298 -7.152 1.00 33.22 H new ATOM 0 HG13 VAL A 81 6.100 -5.920 -7.144 1.00 33.22 H new ATOM 0 HG21 VAL A 81 5.212 -6.330 -4.171 1.00 52.14 H new ATOM 0 HG22 VAL A 81 4.011 -6.048 -5.454 1.00 52.14 H new ATOM 0 HG23 VAL A 81 3.889 -7.494 -4.424 1.00 52.14 H new ATOM 1384 N GLU A 82 2.402 -7.309 -7.468 1.00 31.31 N ATOM 1385 CA GLU A 82 1.448 -6.317 -7.968 1.00 60.31 C ATOM 1386 C GLU A 82 0.607 -5.813 -6.781 1.00 35.51 C ATOM 1387 O GLU A 82 -0.280 -6.514 -6.283 1.00 15.43 O ATOM 1388 CB GLU A 82 0.545 -6.943 -9.061 1.00 4.41 C ATOM 1389 CG GLU A 82 -0.411 -5.940 -9.742 1.00 33.43 C ATOM 1390 CD GLU A 82 -1.449 -6.619 -10.645 1.00 22.33 C ATOM 1391 OE1 GLU A 82 -2.521 -7.013 -10.129 1.00 3.31 O ATOM 1392 OE2 GLU A 82 -1.204 -6.770 -11.861 1.00 71.12 O ATOM 0 H GLU A 82 1.976 -8.023 -6.877 1.00 31.31 H new ATOM 0 HA GLU A 82 1.978 -5.479 -8.420 1.00 60.31 H new ATOM 0 HB2 GLU A 82 1.178 -7.399 -9.822 1.00 4.41 H new ATOM 0 HB3 GLU A 82 -0.044 -7.744 -8.615 1.00 4.41 H new ATOM 0 HG2 GLU A 82 -0.927 -5.361 -8.976 1.00 33.43 H new ATOM 0 HG3 GLU A 82 0.173 -5.235 -10.335 1.00 33.43 H new ATOM 1399 N VAL A 83 0.891 -4.588 -6.350 1.00 55.13 N ATOM 1400 CA VAL A 83 0.245 -3.957 -5.198 1.00 75.34 C ATOM 1401 C VAL A 83 -0.854 -3.040 -5.712 1.00 54.33 C ATOM 1402 O VAL A 83 -0.575 -2.023 -6.341 1.00 15.42 O ATOM 1403 CB VAL A 83 1.279 -3.116 -4.362 1.00 12.15 C ATOM 1404 CG1 VAL A 83 0.595 -2.419 -3.166 1.00 53.33 C ATOM 1405 CG2 VAL A 83 2.450 -4.004 -3.897 1.00 74.52 C ATOM 0 H VAL A 83 1.588 -3.993 -6.798 1.00 55.13 H new ATOM 0 HA VAL A 83 -0.166 -4.730 -4.549 1.00 75.34 H new ATOM 0 HB VAL A 83 1.682 -2.335 -5.007 1.00 12.15 H new ATOM 0 HG11 VAL A 83 1.335 -1.846 -2.607 1.00 53.33 H new ATOM 0 HG12 VAL A 83 -0.183 -1.749 -3.532 1.00 53.33 H new ATOM 0 HG13 VAL A 83 0.150 -3.170 -2.513 1.00 53.33 H new ATOM 0 HG21 VAL A 83 3.155 -3.405 -3.320 1.00 74.52 H new ATOM 0 HG22 VAL A 83 2.068 -4.813 -3.275 1.00 74.52 H new ATOM 0 HG23 VAL A 83 2.957 -4.423 -4.766 1.00 74.52 H new ATOM 1415 N ASN A 84 -2.102 -3.405 -5.442 1.00 71.33 N ATOM 1416 CA ASN A 84 -3.255 -2.659 -5.928 1.00 71.01 C ATOM 1417 C ASN A 84 -3.753 -1.791 -4.782 1.00 30.52 C ATOM 1418 O ASN A 84 -4.330 -2.297 -3.823 1.00 45.13 O ATOM 1419 CB ASN A 84 -4.370 -3.632 -6.396 1.00 51.14 C ATOM 1420 CG ASN A 84 -3.977 -4.528 -7.574 1.00 73.03 C ATOM 1421 OD1 ASN A 84 -4.715 -4.626 -8.555 1.00 51.31 O ATOM 1422 ND2 ASN A 84 -2.868 -5.248 -7.471 1.00 63.41 N ATOM 0 H ASN A 84 -2.342 -4.223 -4.882 1.00 71.33 H new ATOM 0 HA ASN A 84 -2.979 -2.041 -6.782 1.00 71.01 H new ATOM 0 HB2 ASN A 84 -4.660 -4.264 -5.556 1.00 51.14 H new ATOM 0 HB3 ASN A 84 -5.249 -3.050 -6.675 1.00 51.14 H new ATOM 0 HD21 ASN A 84 -2.612 -5.899 -8.213 1.00 63.41 H new ATOM 0 HD22 ASN A 84 -2.271 -5.151 -6.649 1.00 63.41 H new ATOM 1429 N VAL A 85 -3.490 -0.487 -4.887 1.00 30.41 N ATOM 1430 CA VAL A 85 -3.971 0.518 -3.940 1.00 12.31 C ATOM 1431 C VAL A 85 -5.230 1.151 -4.531 1.00 45.22 C ATOM 1432 O VAL A 85 -5.163 1.818 -5.549 1.00 22.25 O ATOM 1433 CB VAL A 85 -2.882 1.624 -3.665 1.00 62.03 C ATOM 1434 CG1 VAL A 85 -3.401 2.695 -2.666 1.00 23.04 C ATOM 1435 CG2 VAL A 85 -1.562 0.988 -3.169 1.00 5.23 C ATOM 0 H VAL A 85 -2.929 -0.095 -5.643 1.00 30.41 H new ATOM 0 HA VAL A 85 -4.189 0.042 -2.984 1.00 12.31 H new ATOM 0 HB VAL A 85 -2.677 2.130 -4.608 1.00 62.03 H new ATOM 0 HG11 VAL A 85 -2.626 3.442 -2.499 1.00 23.04 H new ATOM 0 HG12 VAL A 85 -4.287 3.178 -3.078 1.00 23.04 H new ATOM 0 HG13 VAL A 85 -3.655 2.217 -1.720 1.00 23.04 H new ATOM 0 HG21 VAL A 85 -0.827 1.772 -2.986 1.00 5.23 H new ATOM 0 HG22 VAL A 85 -1.747 0.441 -2.244 1.00 5.23 H new ATOM 0 HG23 VAL A 85 -1.181 0.303 -3.926 1.00 5.23 H new ATOM 1445 N HIS A 86 -6.371 0.895 -3.907 1.00 45.11 N ATOM 1446 CA HIS A 86 -7.679 1.378 -4.360 1.00 1.41 C ATOM 1447 C HIS A 86 -8.118 2.508 -3.417 1.00 62.23 C ATOM 1448 O HIS A 86 -7.857 2.419 -2.227 1.00 61.12 O ATOM 1449 CB HIS A 86 -8.717 0.221 -4.327 1.00 60.33 C ATOM 1450 CG HIS A 86 -8.328 -1.044 -5.063 1.00 44.31 C ATOM 1451 ND1 HIS A 86 -8.897 -1.436 -6.257 1.00 24.30 N ATOM 1452 CD2 HIS A 86 -7.474 -2.041 -4.728 1.00 5.22 C ATOM 1453 CE1 HIS A 86 -8.417 -2.613 -6.607 1.00 21.35 C ATOM 1454 NE2 HIS A 86 -7.551 -3.001 -5.699 1.00 53.21 N ATOM 0 H HIS A 86 -6.420 0.336 -3.055 1.00 45.11 H new ATOM 0 HA HIS A 86 -7.613 1.745 -5.384 1.00 1.41 H new ATOM 0 HB2 HIS A 86 -8.913 -0.034 -3.286 1.00 60.33 H new ATOM 0 HB3 HIS A 86 -9.653 0.588 -4.747 1.00 60.33 H new ATOM 0 HD2 HIS A 86 -6.845 -2.072 -3.851 1.00 5.22 H new ATOM 0 HE1 HIS A 86 -8.691 -3.166 -7.493 1.00 21.35 H new ATOM 0 HE2 HIS A 86 -7.023 -3.874 -5.715 1.00 53.21 H new ATOM 1463 N SER A 87 -8.769 3.557 -3.937 1.00 40.13 N ATOM 1464 CA SER A 87 -9.291 4.660 -3.117 1.00 15.23 C ATOM 1465 C SER A 87 -10.380 5.411 -3.903 1.00 62.45 C ATOM 1466 O SER A 87 -10.067 6.182 -4.821 1.00 43.10 O ATOM 1467 CB SER A 87 -8.140 5.607 -2.679 1.00 34.42 C ATOM 1468 OG SER A 87 -7.502 6.225 -3.778 1.00 32.44 O ATOM 0 H SER A 87 -8.949 3.666 -4.935 1.00 40.13 H new ATOM 0 HA SER A 87 -9.740 4.259 -2.208 1.00 15.23 H new ATOM 0 HB2 SER A 87 -8.538 6.374 -2.015 1.00 34.42 H new ATOM 0 HB3 SER A 87 -7.405 5.040 -2.107 1.00 34.42 H new ATOM 0 HG SER A 87 -8.155 6.377 -4.492 1.00 32.44 H new ATOM 1474 N GLY A 88 -11.658 5.149 -3.546 1.00 61.41 N ATOM 1475 CA GLY A 88 -12.818 5.795 -4.176 1.00 72.10 C ATOM 1476 C GLY A 88 -12.817 5.703 -5.709 1.00 34.22 C ATOM 1477 O GLY A 88 -12.797 6.727 -6.396 1.00 64.42 O ATOM 0 H GLY A 88 -11.907 4.484 -2.814 1.00 61.41 H new ATOM 0 HA2 GLY A 88 -13.730 5.337 -3.794 1.00 72.10 H new ATOM 0 HA3 GLY A 88 -12.842 6.845 -3.884 1.00 72.10 H new ATOM 1481 N GLY A 89 -12.785 4.470 -6.233 1.00 71.12 N ATOM 1482 CA GLY A 89 -12.771 4.225 -7.684 1.00 3.43 C ATOM 1483 C GLY A 89 -11.362 4.196 -8.301 1.00 13.24 C ATOM 1484 O GLY A 89 -11.141 3.492 -9.286 1.00 71.45 O ATOM 0 H GLY A 89 -12.768 3.620 -5.669 1.00 71.12 H new ATOM 0 HA2 GLY A 89 -13.264 3.274 -7.886 1.00 3.43 H new ATOM 0 HA3 GLY A 89 -13.357 5.000 -8.178 1.00 3.43 H new ATOM 1488 N GLN A 90 -10.414 4.963 -7.725 1.00 12.24 N ATOM 1489 CA GLN A 90 -9.046 5.129 -8.276 1.00 54.41 C ATOM 1490 C GLN A 90 -8.129 3.983 -7.810 1.00 4.45 C ATOM 1491 O GLN A 90 -8.071 3.708 -6.621 1.00 23.11 O ATOM 1492 CB GLN A 90 -8.467 6.492 -7.808 1.00 0.14 C ATOM 1493 CG GLN A 90 -9.343 7.714 -8.137 1.00 34.44 C ATOM 1494 CD GLN A 90 -8.751 9.027 -7.618 1.00 50.10 C ATOM 1495 OE1 GLN A 90 -7.988 9.698 -8.317 1.00 0.30 O ATOM 1496 NE2 GLN A 90 -9.073 9.391 -6.380 1.00 22.51 N ATOM 0 H GLN A 90 -10.572 5.487 -6.864 1.00 12.24 H new ATOM 0 HA GLN A 90 -9.098 5.105 -9.364 1.00 54.41 H new ATOM 0 HB2 GLN A 90 -8.312 6.454 -6.730 1.00 0.14 H new ATOM 0 HB3 GLN A 90 -7.488 6.631 -8.266 1.00 0.14 H new ATOM 0 HG2 GLN A 90 -9.473 7.782 -9.217 1.00 34.44 H new ATOM 0 HG3 GLN A 90 -10.334 7.572 -7.705 1.00 34.44 H new ATOM 0 HE21 GLN A 90 -9.707 8.814 -5.827 1.00 22.51 H new ATOM 0 HE22 GLN A 90 -8.686 10.247 -5.983 1.00 22.51 H new ATOM 1505 N THR A 91 -7.398 3.331 -8.734 1.00 60.52 N ATOM 1506 CA THR A 91 -6.519 2.185 -8.398 1.00 24.02 C ATOM 1507 C THR A 91 -5.135 2.316 -9.077 1.00 1.03 C ATOM 1508 O THR A 91 -5.043 2.535 -10.289 1.00 75.35 O ATOM 1509 CB THR A 91 -7.201 0.829 -8.787 1.00 62.40 C ATOM 1510 OG1 THR A 91 -8.460 0.706 -8.086 1.00 74.12 O ATOM 1511 CG2 THR A 91 -6.306 -0.391 -8.466 1.00 21.32 C ATOM 0 H THR A 91 -7.396 3.577 -9.724 1.00 60.52 H new ATOM 0 HA THR A 91 -6.361 2.194 -7.319 1.00 24.02 H new ATOM 0 HB THR A 91 -7.365 0.839 -9.865 1.00 62.40 H new ATOM 0 HG1 THR A 91 -8.418 -0.054 -7.469 1.00 74.12 H new ATOM 0 HG21 THR A 91 -6.822 -1.307 -8.754 1.00 21.32 H new ATOM 0 HG22 THR A 91 -5.371 -0.312 -9.021 1.00 21.32 H new ATOM 0 HG23 THR A 91 -6.093 -0.415 -7.397 1.00 21.32 H new ATOM 1519 N TRP A 92 -4.068 2.195 -8.259 1.00 33.04 N ATOM 1520 CA TRP A 92 -2.660 2.210 -8.702 1.00 75.15 C ATOM 1521 C TRP A 92 -2.054 0.816 -8.483 1.00 63.41 C ATOM 1522 O TRP A 92 -2.011 0.337 -7.345 1.00 73.33 O ATOM 1523 CB TRP A 92 -1.839 3.246 -7.886 1.00 23.42 C ATOM 1524 CG TRP A 92 -2.355 4.662 -7.957 1.00 2.31 C ATOM 1525 CD1 TRP A 92 -1.906 5.668 -8.767 1.00 61.33 C ATOM 1526 CD2 TRP A 92 -3.415 5.231 -7.173 1.00 61.34 C ATOM 1527 NE1 TRP A 92 -2.629 6.812 -8.537 1.00 31.51 N ATOM 1528 CE2 TRP A 92 -3.557 6.569 -7.562 1.00 71.42 C ATOM 1529 CE3 TRP A 92 -4.252 4.728 -6.177 1.00 14.35 C ATOM 1530 CZ2 TRP A 92 -4.505 7.412 -6.997 1.00 71.21 C ATOM 1531 CZ3 TRP A 92 -5.191 5.558 -5.616 1.00 73.31 C ATOM 1532 CH2 TRP A 92 -5.312 6.893 -6.025 1.00 33.31 C ATOM 0 H TRP A 92 -4.165 2.082 -7.250 1.00 33.04 H new ATOM 0 HA TRP A 92 -2.627 2.483 -9.757 1.00 75.15 H new ATOM 0 HB2 TRP A 92 -1.821 2.933 -6.842 1.00 23.42 H new ATOM 0 HB3 TRP A 92 -0.808 3.232 -8.241 1.00 23.42 H new ATOM 0 HD1 TRP A 92 -1.102 5.576 -9.482 1.00 61.33 H new ATOM 0 HE1 TRP A 92 -2.495 7.702 -9.017 1.00 31.51 H new ATOM 0 HE3 TRP A 92 -4.163 3.702 -5.852 1.00 14.35 H new ATOM 0 HZ2 TRP A 92 -4.601 8.440 -7.314 1.00 71.21 H new ATOM 0 HZ3 TRP A 92 -5.847 5.176 -4.847 1.00 73.31 H new ATOM 0 HH2 TRP A 92 -6.057 7.523 -5.563 1.00 33.31 H new ATOM 1543 N THR A 93 -1.605 0.166 -9.560 1.00 44.41 N ATOM 1544 CA THR A 93 -0.889 -1.114 -9.474 1.00 0.13 C ATOM 1545 C THR A 93 0.635 -0.854 -9.489 1.00 51.03 C ATOM 1546 O THR A 93 1.223 -0.570 -10.538 1.00 64.52 O ATOM 1547 CB THR A 93 -1.327 -2.070 -10.638 1.00 20.04 C ATOM 1548 OG1 THR A 93 -1.255 -1.383 -11.899 1.00 72.13 O ATOM 1549 CG2 THR A 93 -2.761 -2.600 -10.437 1.00 55.22 C ATOM 0 H THR A 93 -1.726 0.509 -10.513 1.00 44.41 H new ATOM 0 HA THR A 93 -1.142 -1.611 -8.538 1.00 0.13 H new ATOM 0 HB THR A 93 -0.642 -2.918 -10.633 1.00 20.04 H new ATOM 0 HG1 THR A 93 -0.429 -0.858 -11.939 1.00 72.13 H new ATOM 0 HG21 THR A 93 -3.025 -3.258 -11.265 1.00 55.22 H new ATOM 0 HG22 THR A 93 -2.816 -3.155 -9.501 1.00 55.22 H new ATOM 0 HG23 THR A 93 -3.457 -1.762 -10.403 1.00 55.22 H new ATOM 1557 N PHE A 94 1.254 -0.937 -8.296 1.00 42.25 N ATOM 1558 CA PHE A 94 2.701 -0.751 -8.101 1.00 64.10 C ATOM 1559 C PHE A 94 3.416 -2.095 -8.252 1.00 75.43 C ATOM 1560 O PHE A 94 3.026 -3.087 -7.634 1.00 30.14 O ATOM 1561 CB PHE A 94 2.999 -0.177 -6.690 1.00 43.13 C ATOM 1562 CG PHE A 94 2.495 1.245 -6.456 1.00 44.34 C ATOM 1563 CD1 PHE A 94 3.234 2.346 -6.901 1.00 62.53 C ATOM 1564 CD2 PHE A 94 1.303 1.485 -5.771 1.00 62.20 C ATOM 1565 CE1 PHE A 94 2.799 3.634 -6.664 1.00 45.25 C ATOM 1566 CE2 PHE A 94 0.872 2.775 -5.540 1.00 72.41 C ATOM 1567 CZ PHE A 94 1.618 3.849 -5.987 1.00 25.51 C ATOM 0 H PHE A 94 0.754 -1.138 -7.430 1.00 42.25 H new ATOM 0 HA PHE A 94 3.060 -0.047 -8.852 1.00 64.10 H new ATOM 0 HB2 PHE A 94 2.550 -0.833 -5.944 1.00 43.13 H new ATOM 0 HB3 PHE A 94 4.076 -0.197 -6.525 1.00 43.13 H new ATOM 0 HD1 PHE A 94 4.158 2.186 -7.437 1.00 62.53 H new ATOM 0 HD2 PHE A 94 0.712 0.653 -5.418 1.00 62.20 H new ATOM 0 HE1 PHE A 94 3.384 4.474 -7.009 1.00 45.25 H new ATOM 0 HE2 PHE A 94 -0.052 2.946 -5.008 1.00 72.41 H new ATOM 0 HZ PHE A 94 1.275 4.857 -5.806 1.00 25.51 H new ATOM 1577 N ASN A 95 4.469 -2.116 -9.063 1.00 74.44 N ATOM 1578 CA ASN A 95 5.250 -3.329 -9.328 1.00 70.41 C ATOM 1579 C ASN A 95 6.743 -2.992 -9.401 1.00 42.21 C ATOM 1580 O ASN A 95 7.129 -1.925 -9.901 1.00 42.33 O ATOM 1581 CB ASN A 95 4.760 -4.007 -10.636 1.00 23.41 C ATOM 1582 CG ASN A 95 4.828 -3.094 -11.866 1.00 23.03 C ATOM 1583 OD1 ASN A 95 5.825 -3.074 -12.592 1.00 33.03 O ATOM 1584 ND2 ASN A 95 3.770 -2.321 -12.103 1.00 42.14 N ATOM 0 H ASN A 95 4.809 -1.292 -9.559 1.00 74.44 H new ATOM 0 HA ASN A 95 5.104 -4.033 -8.509 1.00 70.41 H new ATOM 0 HB2 ASN A 95 5.362 -4.897 -10.821 1.00 23.41 H new ATOM 0 HB3 ASN A 95 3.732 -4.341 -10.499 1.00 23.41 H new ATOM 0 HD21 ASN A 95 3.769 -1.689 -12.904 1.00 42.14 H new ATOM 0 HD22 ASN A 95 2.960 -2.361 -11.484 1.00 42.14 H new