USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 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= 0.585 K(o=1.2,f=-0.21) USER MOD Set 1.2: A 91 THR OG1 : rot -103:sc= 0.657 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.9) USER MOD Set 2.2: A 78 SER OG : rot -150:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.14) USER MOD Single : A 33 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-0.91) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 44 HIS : no HD1:sc= 0.74 K(o=1,f=-3.4!) USER MOD Single : A 56 ASN : amide:sc= 0.176 X(o=0.18,f=-0.016) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00307) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.247 (180deg=-0.765) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.23) USER MOD Single : A 87 SER OG : rot -110:sc= 0.0118 USER MOD Single : A 90 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.72) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 10.235 1.507 -2.995 1.00 15.23 N ATOM 329 CA LEU A 21 8.864 1.534 -3.538 1.00 64.50 C ATOM 330 C LEU A 21 7.855 1.958 -2.455 1.00 10.22 C ATOM 331 O LEU A 21 6.775 2.453 -2.772 1.00 71.42 O ATOM 332 CB LEU A 21 8.496 0.156 -4.193 1.00 12.10 C ATOM 333 CG LEU A 21 8.544 -1.147 -3.293 1.00 21.52 C ATOM 334 CD1 LEU A 21 7.274 -1.339 -2.432 1.00 64.01 C ATOM 335 CD2 LEU A 21 8.802 -2.407 -4.150 1.00 72.41 C ATOM 0 HA LEU A 21 8.816 2.284 -4.328 1.00 64.50 H new ATOM 0 HB2 LEU A 21 7.488 0.241 -4.599 1.00 12.10 H new ATOM 0 HB3 LEU A 21 9.168 0.001 -5.037 1.00 12.10 H new ATOM 0 HG LEU A 21 9.377 -1.005 -2.605 1.00 21.52 H new ATOM 0 HD11 LEU A 21 7.370 -2.249 -1.839 1.00 64.01 H new ATOM 0 HD12 LEU A 21 7.153 -0.484 -1.767 1.00 64.01 H new ATOM 0 HD13 LEU A 21 6.403 -1.420 -3.082 1.00 64.01 H new ATOM 0 HD21 LEU A 21 8.830 -3.286 -3.506 1.00 72.41 H new ATOM 0 HD22 LEU A 21 8.002 -2.519 -4.882 1.00 72.41 H new ATOM 0 HD23 LEU A 21 9.756 -2.306 -4.667 1.00 72.41 H new ATOM 347 N LEU A 22 8.254 1.773 -1.173 1.00 13.21 N ATOM 348 CA LEU A 22 7.427 2.090 -0.001 1.00 55.03 C ATOM 349 C LEU A 22 6.984 3.567 -0.008 1.00 51.22 C ATOM 350 O LEU A 22 5.783 3.859 -0.029 1.00 1.21 O ATOM 351 CB LEU A 22 8.210 1.802 1.311 1.00 2.43 C ATOM 352 CG LEU A 22 8.783 0.373 1.502 1.00 25.45 C ATOM 353 CD1 LEU A 22 9.473 0.258 2.876 1.00 14.11 C ATOM 354 CD2 LEU A 22 7.704 -0.715 1.321 1.00 24.22 C ATOM 0 H LEU A 22 9.170 1.395 -0.930 1.00 13.21 H new ATOM 0 HA LEU A 22 6.541 1.457 -0.048 1.00 55.03 H new ATOM 0 HB2 LEU A 22 9.039 2.508 1.370 1.00 2.43 H new ATOM 0 HB3 LEU A 22 7.549 2.015 2.151 1.00 2.43 H new ATOM 0 HG LEU A 22 9.526 0.204 0.723 1.00 25.45 H new ATOM 0 HD11 LEU A 22 9.872 -0.749 3.000 1.00 14.11 H new ATOM 0 HD12 LEU A 22 10.287 0.980 2.936 1.00 14.11 H new ATOM 0 HD13 LEU A 22 8.749 0.461 3.665 1.00 14.11 H new ATOM 0 HD21 LEU A 22 8.152 -1.699 1.464 1.00 24.22 H new ATOM 0 HD22 LEU A 22 6.911 -0.567 2.054 1.00 24.22 H new ATOM 0 HD23 LEU A 22 7.286 -0.649 0.317 1.00 24.22 H new ATOM 366 N GLU A 23 7.976 4.489 -0.040 1.00 11.31 N ATOM 367 CA GLU A 23 7.723 5.939 0.071 1.00 32.34 C ATOM 368 C GLU A 23 6.950 6.481 -1.151 1.00 33.31 C ATOM 369 O GLU A 23 6.279 7.513 -1.053 1.00 73.12 O ATOM 370 CB GLU A 23 9.041 6.728 0.313 1.00 63.01 C ATOM 371 CG GLU A 23 8.821 8.234 0.604 1.00 62.34 C ATOM 372 CD GLU A 23 10.086 8.991 1.021 1.00 73.43 C ATOM 373 OE1 GLU A 23 10.137 9.514 2.156 1.00 3.03 O ATOM 374 OE2 GLU A 23 11.024 9.092 0.208 1.00 12.13 O ATOM 0 H GLU A 23 8.962 4.249 -0.142 1.00 11.31 H new ATOM 0 HA GLU A 23 7.087 6.091 0.943 1.00 32.34 H new ATOM 0 HB2 GLU A 23 9.574 6.279 1.151 1.00 63.01 H new ATOM 0 HB3 GLU A 23 9.681 6.626 -0.563 1.00 63.01 H new ATOM 0 HG2 GLU A 23 8.407 8.707 -0.287 1.00 62.34 H new ATOM 0 HG3 GLU A 23 8.076 8.334 1.393 1.00 62.34 H new ATOM 381 N ARG A 24 7.009 5.746 -2.276 1.00 34.24 N ATOM 382 CA ARG A 24 6.232 6.070 -3.490 1.00 23.24 C ATOM 383 C ARG A 24 4.721 5.922 -3.204 1.00 1.22 C ATOM 384 O ARG A 24 3.907 6.727 -3.672 1.00 23.24 O ATOM 385 CB ARG A 24 6.668 5.157 -4.668 1.00 72.22 C ATOM 386 CG ARG A 24 8.192 5.155 -4.921 1.00 2.34 C ATOM 387 CD ARG A 24 8.602 4.290 -6.119 1.00 63.14 C ATOM 388 NE ARG A 24 10.065 4.133 -6.207 1.00 1.42 N ATOM 389 CZ ARG A 24 10.695 3.066 -6.726 1.00 11.04 C ATOM 390 NH1 ARG A 24 10.007 2.032 -7.215 1.00 43.32 N ATOM 391 NH2 ARG A 24 12.015 3.040 -6.736 1.00 53.42 N ATOM 0 H ARG A 24 7.593 4.915 -2.371 1.00 34.24 H new ATOM 0 HA ARG A 24 6.428 7.104 -3.774 1.00 23.24 H new ATOM 0 HB2 ARG A 24 6.341 4.137 -4.466 1.00 72.22 H new ATOM 0 HB3 ARG A 24 6.158 5.481 -5.575 1.00 72.22 H new ATOM 0 HG2 ARG A 24 8.528 6.178 -5.088 1.00 2.34 H new ATOM 0 HG3 ARG A 24 8.702 4.794 -4.028 1.00 2.34 H new ATOM 0 HD2 ARG A 24 8.136 3.308 -6.035 1.00 63.14 H new ATOM 0 HD3 ARG A 24 8.229 4.742 -7.038 1.00 63.14 H new ATOM 0 HE ARG A 24 10.643 4.892 -5.846 1.00 1.42 H new ATOM 0 HH11 ARG A 24 8.987 2.044 -7.198 1.00 43.32 H new ATOM 0 HH12 ARG A 24 10.501 1.230 -7.606 1.00 43.32 H new ATOM 0 HH21 ARG A 24 12.543 3.824 -6.353 1.00 53.42 H new ATOM 0 HH22 ARG A 24 12.506 2.236 -7.127 1.00 53.42 H new ATOM 405 N LEU A 25 4.372 4.899 -2.395 1.00 12.35 N ATOM 406 CA LEU A 25 2.998 4.710 -1.899 1.00 51.12 C ATOM 407 C LEU A 25 2.678 5.738 -0.802 1.00 24.41 C ATOM 408 O LEU A 25 1.543 6.196 -0.704 1.00 42.42 O ATOM 409 CB LEU A 25 2.757 3.275 -1.351 1.00 0.41 C ATOM 410 CG LEU A 25 2.483 2.157 -2.412 1.00 64.54 C ATOM 411 CD1 LEU A 25 3.763 1.714 -3.141 1.00 74.42 C ATOM 412 CD2 LEU A 25 1.757 0.966 -1.760 1.00 42.14 C ATOM 0 H LEU A 25 5.029 4.189 -2.072 1.00 12.35 H new ATOM 0 HA LEU A 25 2.333 4.857 -2.750 1.00 51.12 H new ATOM 0 HB2 LEU A 25 3.629 2.983 -0.766 1.00 0.41 H new ATOM 0 HB3 LEU A 25 1.910 3.310 -0.666 1.00 0.41 H new ATOM 0 HG LEU A 25 1.831 2.580 -3.176 1.00 64.54 H new ATOM 0 HD11 LEU A 25 3.519 0.937 -3.866 1.00 74.42 H new ATOM 0 HD12 LEU A 25 4.201 2.568 -3.658 1.00 74.42 H new ATOM 0 HD13 LEU A 25 4.477 1.322 -2.417 1.00 74.42 H new ATOM 0 HD21 LEU A 25 1.573 0.197 -2.510 1.00 42.14 H new ATOM 0 HD22 LEU A 25 2.376 0.555 -0.963 1.00 42.14 H new ATOM 0 HD23 LEU A 25 0.807 1.302 -1.345 1.00 42.14 H new ATOM 424 N ARG A 26 3.695 6.086 0.015 1.00 23.01 N ATOM 425 CA ARG A 26 3.537 7.023 1.147 1.00 34.30 C ATOM 426 C ARG A 26 3.084 8.405 0.634 1.00 12.41 C ATOM 427 O ARG A 26 2.259 9.041 1.268 1.00 21.21 O ATOM 428 CB ARG A 26 4.867 7.094 1.961 1.00 40.13 C ATOM 429 CG ARG A 26 4.791 7.716 3.388 1.00 42.30 C ATOM 430 CD ARG A 26 4.873 9.246 3.418 1.00 35.35 C ATOM 431 NE ARG A 26 6.175 9.728 2.917 1.00 0.23 N ATOM 432 CZ ARG A 26 6.424 10.958 2.449 1.00 1.30 C ATOM 433 NH1 ARG A 26 5.460 11.871 2.380 1.00 21.12 N ATOM 434 NH2 ARG A 26 7.664 11.290 2.095 1.00 34.35 N ATOM 0 H ARG A 26 4.644 5.727 -0.091 1.00 23.01 H new ATOM 0 HA ARG A 26 2.760 6.664 1.821 1.00 34.30 H new ATOM 0 HB2 ARG A 26 5.262 6.082 2.053 1.00 40.13 H new ATOM 0 HB3 ARG A 26 5.590 7.667 1.380 1.00 40.13 H new ATOM 0 HG2 ARG A 26 3.857 7.405 3.857 1.00 42.30 H new ATOM 0 HG3 ARG A 26 5.602 7.309 3.992 1.00 42.30 H new ATOM 0 HD2 ARG A 26 4.071 9.666 2.812 1.00 35.35 H new ATOM 0 HD3 ARG A 26 4.721 9.600 4.438 1.00 35.35 H new ATOM 0 HE ARG A 26 6.952 9.067 2.928 1.00 0.23 H new ATOM 0 HH11 ARG A 26 4.515 11.639 2.686 1.00 21.12 H new ATOM 0 HH12 ARG A 26 5.665 12.803 2.021 1.00 21.12 H new ATOM 0 HH21 ARG A 26 8.419 10.609 2.181 1.00 34.35 H new ATOM 0 HH22 ARG A 26 7.859 12.225 1.738 1.00 34.35 H new ATOM 448 N GLN A 27 3.597 8.824 -0.549 1.00 35.22 N ATOM 449 CA GLN A 27 3.167 10.080 -1.208 1.00 33.30 C ATOM 450 C GLN A 27 1.654 10.034 -1.517 1.00 51.10 C ATOM 451 O GLN A 27 0.913 10.984 -1.242 1.00 10.40 O ATOM 452 CB GLN A 27 3.945 10.320 -2.531 1.00 61.04 C ATOM 453 CG GLN A 27 5.485 10.297 -2.418 1.00 31.23 C ATOM 454 CD GLN A 27 6.072 11.309 -1.419 1.00 2.32 C ATOM 455 OE1 GLN A 27 5.513 12.378 -1.178 1.00 44.12 O ATOM 456 NE2 GLN A 27 7.220 10.981 -0.843 1.00 73.34 N ATOM 0 H GLN A 27 4.310 8.309 -1.066 1.00 35.22 H new ATOM 0 HA GLN A 27 3.380 10.898 -0.521 1.00 33.30 H new ATOM 0 HB2 GLN A 27 3.641 9.561 -3.252 1.00 61.04 H new ATOM 0 HB3 GLN A 27 3.644 11.285 -2.938 1.00 61.04 H new ATOM 0 HG2 GLN A 27 5.799 9.295 -2.126 1.00 31.23 H new ATOM 0 HG3 GLN A 27 5.911 10.490 -3.403 1.00 31.23 H new ATOM 0 HE21 GLN A 27 7.663 10.088 -1.060 1.00 73.34 H new ATOM 0 HE22 GLN A 27 7.660 11.621 -0.183 1.00 73.34 H new ATOM 465 N LEU A 28 1.228 8.882 -2.070 1.00 24.45 N ATOM 466 CA LEU A 28 -0.164 8.626 -2.463 1.00 54.12 C ATOM 467 C LEU A 28 -1.088 8.607 -1.233 1.00 0.44 C ATOM 468 O LEU A 28 -2.209 9.109 -1.282 1.00 60.14 O ATOM 469 CB LEU A 28 -0.245 7.277 -3.226 1.00 70.21 C ATOM 470 CG LEU A 28 -1.653 6.862 -3.759 1.00 2.11 C ATOM 471 CD1 LEU A 28 -2.210 7.893 -4.764 1.00 51.23 C ATOM 472 CD2 LEU A 28 -1.620 5.445 -4.361 1.00 75.35 C ATOM 0 H LEU A 28 1.851 8.096 -2.257 1.00 24.45 H new ATOM 0 HA LEU A 28 -0.499 9.431 -3.117 1.00 54.12 H new ATOM 0 HB2 LEU A 28 0.441 7.322 -4.072 1.00 70.21 H new ATOM 0 HB3 LEU A 28 0.116 6.489 -2.565 1.00 70.21 H new ATOM 0 HG LEU A 28 -2.335 6.846 -2.909 1.00 2.11 H new ATOM 0 HD11 LEU A 28 -3.191 7.569 -5.112 1.00 51.23 H new ATOM 0 HD12 LEU A 28 -2.301 8.864 -4.277 1.00 51.23 H new ATOM 0 HD13 LEU A 28 -1.533 7.975 -5.614 1.00 51.23 H new ATOM 0 HD21 LEU A 28 -2.613 5.181 -4.725 1.00 75.35 H new ATOM 0 HD22 LEU A 28 -0.911 5.418 -5.189 1.00 75.35 H new ATOM 0 HD23 LEU A 28 -1.312 4.732 -3.596 1.00 75.35 H new ATOM 484 N PHE A 29 -0.578 8.046 -0.122 1.00 1.34 N ATOM 485 CA PHE A 29 -1.330 7.917 1.137 1.00 24.00 C ATOM 486 C PHE A 29 -1.426 9.272 1.857 1.00 61.34 C ATOM 487 O PHE A 29 -2.379 9.512 2.595 1.00 40.33 O ATOM 488 CB PHE A 29 -0.676 6.849 2.058 1.00 73.22 C ATOM 489 CG PHE A 29 -0.620 5.421 1.498 1.00 70.40 C ATOM 490 CD1 PHE A 29 -1.489 4.994 0.488 1.00 25.13 C ATOM 491 CD2 PHE A 29 0.314 4.501 1.986 1.00 53.45 C ATOM 492 CE1 PHE A 29 -1.424 3.709 -0.006 1.00 14.24 C ATOM 493 CE2 PHE A 29 0.371 3.213 1.484 1.00 2.52 C ATOM 494 CZ PHE A 29 -0.496 2.822 0.491 1.00 63.44 C ATOM 0 H PHE A 29 0.369 7.669 -0.073 1.00 1.34 H new ATOM 0 HA PHE A 29 -2.342 7.589 0.898 1.00 24.00 H new ATOM 0 HB2 PHE A 29 0.341 7.169 2.286 1.00 73.22 H new ATOM 0 HB3 PHE A 29 -1.223 6.827 3.001 1.00 73.22 H new ATOM 0 HD1 PHE A 29 -2.221 5.681 0.090 1.00 25.13 H new ATOM 0 HD2 PHE A 29 1.000 4.800 2.765 1.00 53.45 H new ATOM 0 HE1 PHE A 29 -2.103 3.397 -0.785 1.00 14.24 H new ATOM 0 HE2 PHE A 29 1.097 2.514 1.872 1.00 2.52 H new ATOM 0 HZ PHE A 29 -0.449 1.816 0.100 1.00 63.44 H new ATOM 504 N GLU A 30 -0.426 10.148 1.636 1.00 20.21 N ATOM 505 CA GLU A 30 -0.459 11.548 2.107 1.00 65.24 C ATOM 506 C GLU A 30 -1.511 12.364 1.320 1.00 15.10 C ATOM 507 O GLU A 30 -2.116 13.299 1.855 1.00 23.20 O ATOM 508 CB GLU A 30 0.941 12.208 1.980 1.00 34.35 C ATOM 509 CG GLU A 30 2.004 11.648 2.945 1.00 45.43 C ATOM 510 CD GLU A 30 1.692 11.908 4.431 1.00 35.51 C ATOM 511 OE1 GLU A 30 1.270 10.979 5.143 1.00 15.05 O ATOM 512 OE2 GLU A 30 1.858 13.063 4.885 1.00 22.12 O ATOM 0 H GLU A 30 0.425 9.907 1.128 1.00 20.21 H new ATOM 0 HA GLU A 30 -0.741 11.542 3.160 1.00 65.24 H new ATOM 0 HB2 GLU A 30 1.296 12.083 0.957 1.00 34.35 H new ATOM 0 HB3 GLU A 30 0.840 13.279 2.153 1.00 34.35 H new ATOM 0 HG2 GLU A 30 2.097 10.574 2.785 1.00 45.43 H new ATOM 0 HG3 GLU A 30 2.970 12.091 2.703 1.00 45.43 H new ATOM 519 N GLU A 31 -1.701 11.999 0.036 1.00 13.53 N ATOM 520 CA GLU A 31 -2.744 12.579 -0.833 1.00 41.20 C ATOM 521 C GLU A 31 -4.141 12.062 -0.438 1.00 54.54 C ATOM 522 O GLU A 31 -5.128 12.793 -0.508 1.00 44.24 O ATOM 523 CB GLU A 31 -2.418 12.252 -2.306 1.00 60.51 C ATOM 524 CG GLU A 31 -3.434 12.790 -3.331 1.00 63.54 C ATOM 525 CD GLU A 31 -2.957 12.657 -4.781 1.00 32.41 C ATOM 526 OE1 GLU A 31 -2.910 11.521 -5.297 1.00 24.24 O ATOM 527 OE2 GLU A 31 -2.612 13.683 -5.408 1.00 31.14 O ATOM 0 H GLU A 31 -1.133 11.291 -0.429 1.00 13.53 H new ATOM 0 HA GLU A 31 -2.757 13.662 -0.707 1.00 41.20 H new ATOM 0 HB2 GLU A 31 -1.435 12.658 -2.544 1.00 60.51 H new ATOM 0 HB3 GLU A 31 -2.351 11.170 -2.416 1.00 60.51 H new ATOM 0 HG2 GLU A 31 -4.376 12.254 -3.215 1.00 63.54 H new ATOM 0 HG3 GLU A 31 -3.636 13.839 -3.117 1.00 63.54 H new ATOM 534 N LEU A 32 -4.209 10.799 -0.003 1.00 63.52 N ATOM 535 CA LEU A 32 -5.457 10.195 0.503 1.00 53.42 C ATOM 536 C LEU A 32 -5.722 10.644 1.961 1.00 52.44 C ATOM 537 O LEU A 32 -6.865 10.622 2.436 1.00 52.03 O ATOM 538 CB LEU A 32 -5.387 8.647 0.381 1.00 2.24 C ATOM 539 CG LEU A 32 -5.225 8.090 -1.074 1.00 71.03 C ATOM 540 CD1 LEU A 32 -5.065 6.554 -1.092 1.00 53.24 C ATOM 541 CD2 LEU A 32 -6.387 8.548 -1.981 1.00 64.10 C ATOM 0 H LEU A 32 -3.409 10.166 0.010 1.00 63.52 H new ATOM 0 HA LEU A 32 -6.295 10.540 -0.103 1.00 53.42 H new ATOM 0 HB2 LEU A 32 -4.551 8.290 0.983 1.00 2.24 H new ATOM 0 HB3 LEU A 32 -6.294 8.225 0.814 1.00 2.24 H new ATOM 0 HG LEU A 32 -4.303 8.509 -1.478 1.00 71.03 H new ATOM 0 HD11 LEU A 32 -4.956 6.212 -2.121 1.00 53.24 H new ATOM 0 HD12 LEU A 32 -4.180 6.274 -0.520 1.00 53.24 H new ATOM 0 HD13 LEU A 32 -5.946 6.091 -0.647 1.00 53.24 H new ATOM 0 HD21 LEU A 32 -6.246 8.145 -2.984 1.00 64.10 H new ATOM 0 HD22 LEU A 32 -7.331 8.186 -1.574 1.00 64.10 H new ATOM 0 HD23 LEU A 32 -6.406 9.637 -2.026 1.00 64.10 H new ATOM 553 N HIS A 33 -4.660 11.111 2.640 1.00 2.03 N ATOM 554 CA HIS A 33 -4.745 11.604 4.025 1.00 40.22 C ATOM 555 C HIS A 33 -5.582 12.895 4.103 1.00 51.21 C ATOM 556 O HIS A 33 -6.156 13.194 5.158 1.00 22.12 O ATOM 557 CB HIS A 33 -3.324 11.841 4.601 1.00 33.12 C ATOM 558 CG HIS A 33 -3.298 12.175 6.066 1.00 40.52 C ATOM 559 ND1 HIS A 33 -3.059 13.439 6.554 1.00 2.33 N ATOM 560 CD2 HIS A 33 -3.495 11.393 7.147 1.00 21.43 C ATOM 561 CE1 HIS A 33 -3.115 13.415 7.869 1.00 73.23 C ATOM 562 NE2 HIS A 33 -3.381 12.186 8.252 1.00 74.04 N ATOM 0 H HIS A 33 -3.721 11.157 2.245 1.00 2.03 H new ATOM 0 HA HIS A 33 -5.244 10.844 4.626 1.00 40.22 H new ATOM 0 HB2 HIS A 33 -2.723 10.947 4.433 1.00 33.12 H new ATOM 0 HB3 HIS A 33 -2.851 12.652 4.047 1.00 33.12 H new ATOM 0 HD1 HIS A 33 -2.868 14.265 5.986 1.00 2.33 H new ATOM 0 HD2 HIS A 33 -3.705 10.334 7.140 1.00 21.43 H new ATOM 0 HE1 HIS A 33 -2.967 14.262 8.523 1.00 73.23 H new ATOM 571 N GLU A 34 -5.688 13.637 2.969 1.00 70.22 N ATOM 572 CA GLU A 34 -6.419 14.917 2.943 1.00 53.21 C ATOM 573 C GLU A 34 -7.932 14.693 3.111 1.00 54.12 C ATOM 574 O GLU A 34 -8.639 15.597 3.568 1.00 52.50 O ATOM 575 CB GLU A 34 -6.077 15.767 1.669 1.00 71.13 C ATOM 576 CG GLU A 34 -6.643 15.300 0.299 1.00 73.51 C ATOM 577 CD GLU A 34 -8.114 15.685 0.017 1.00 31.32 C ATOM 578 OE1 GLU A 34 -8.498 16.834 0.264 1.00 5.24 O ATOM 579 OE2 GLU A 34 -8.884 14.848 -0.461 1.00 60.23 O ATOM 0 H GLU A 34 -5.279 13.369 2.074 1.00 70.22 H new ATOM 0 HA GLU A 34 -6.083 15.505 3.797 1.00 53.21 H new ATOM 0 HB2 GLU A 34 -6.427 16.784 1.844 1.00 71.13 H new ATOM 0 HB3 GLU A 34 -4.991 15.814 1.582 1.00 71.13 H new ATOM 0 HG2 GLU A 34 -6.019 15.716 -0.492 1.00 73.51 H new ATOM 0 HG3 GLU A 34 -6.552 14.215 0.239 1.00 73.51 H new ATOM 586 N ARG A 35 -8.434 13.475 2.755 1.00 13.04 N ATOM 587 CA ARG A 35 -9.865 13.123 2.986 1.00 54.22 C ATOM 588 C ARG A 35 -9.990 11.972 4.013 1.00 2.33 C ATOM 589 O ARG A 35 -11.093 11.655 4.458 1.00 40.02 O ATOM 590 CB ARG A 35 -10.635 12.818 1.655 1.00 41.22 C ATOM 591 CG ARG A 35 -10.462 11.414 1.031 1.00 70.13 C ATOM 592 CD ARG A 35 -9.081 11.142 0.422 1.00 62.54 C ATOM 593 NE ARG A 35 -8.770 11.948 -0.766 1.00 14.24 N ATOM 594 CZ ARG A 35 -8.994 11.583 -2.041 1.00 5.01 C ATOM 595 NH1 ARG A 35 -9.564 10.413 -2.344 1.00 62.24 N ATOM 596 NH2 ARG A 35 -8.623 12.387 -3.022 1.00 41.35 N ATOM 0 H ARG A 35 -7.883 12.737 2.317 1.00 13.04 H new ATOM 0 HA ARG A 35 -10.350 14.002 3.412 1.00 54.22 H new ATOM 0 HB2 ARG A 35 -11.698 12.975 1.839 1.00 41.22 H new ATOM 0 HB3 ARG A 35 -10.328 13.555 0.913 1.00 41.22 H new ATOM 0 HG2 ARG A 35 -10.658 10.665 1.798 1.00 70.13 H new ATOM 0 HG3 ARG A 35 -11.217 11.282 0.256 1.00 70.13 H new ATOM 0 HD2 ARG A 35 -8.320 11.327 1.181 1.00 62.54 H new ATOM 0 HD3 ARG A 35 -9.016 10.087 0.157 1.00 62.54 H new ATOM 0 HE ARG A 35 -8.348 12.863 -0.611 1.00 14.24 H new ATOM 0 HH11 ARG A 35 -9.840 9.773 -1.600 1.00 62.24 H new ATOM 0 HH12 ARG A 35 -9.723 10.160 -3.319 1.00 62.24 H new ATOM 0 HH21 ARG A 35 -8.171 13.276 -2.809 1.00 41.35 H new ATOM 0 HH22 ARG A 35 -8.789 12.118 -3.992 1.00 41.35 H new ATOM 610 N GLY A 36 -8.838 11.360 4.363 1.00 42.42 N ATOM 611 CA GLY A 36 -8.740 10.341 5.416 1.00 43.51 C ATOM 612 C GLY A 36 -9.571 9.082 5.171 1.00 50.32 C ATOM 613 O GLY A 36 -9.945 8.398 6.124 1.00 74.32 O ATOM 0 H GLY A 36 -7.945 11.565 3.915 1.00 42.42 H new ATOM 0 HA2 GLY A 36 -7.695 10.053 5.527 1.00 43.51 H new ATOM 0 HA3 GLY A 36 -9.050 10.785 6.362 1.00 43.51 H new ATOM 617 N THR A 37 -9.810 8.759 3.885 1.00 22.22 N ATOM 618 CA THR A 37 -10.738 7.687 3.475 1.00 0.33 C ATOM 619 C THR A 37 -10.144 6.280 3.739 1.00 30.24 C ATOM 620 O THR A 37 -9.018 6.141 4.252 1.00 13.53 O ATOM 621 CB THR A 37 -11.135 7.833 1.955 1.00 15.32 C ATOM 622 OG1 THR A 37 -12.264 6.999 1.653 1.00 24.22 O ATOM 623 CG2 THR A 37 -9.974 7.479 0.993 1.00 32.13 C ATOM 0 H THR A 37 -9.364 9.235 3.100 1.00 22.22 H new ATOM 0 HA THR A 37 -11.636 7.792 4.084 1.00 0.33 H new ATOM 0 HB THR A 37 -11.385 8.883 1.801 1.00 15.32 H new ATOM 0 HG1 THR A 37 -12.502 7.100 0.708 1.00 24.22 H new ATOM 0 HG21 THR A 37 -10.307 7.598 -0.038 1.00 32.13 H new ATOM 0 HG22 THR A 37 -9.130 8.143 1.181 1.00 32.13 H new ATOM 0 HG23 THR A 37 -9.667 6.446 1.158 1.00 32.13 H new ATOM 631 N GLU A 38 -10.937 5.255 3.391 1.00 44.30 N ATOM 632 CA GLU A 38 -10.525 3.849 3.448 1.00 23.34 C ATOM 633 C GLU A 38 -9.505 3.528 2.327 1.00 52.02 C ATOM 634 O GLU A 38 -9.821 3.591 1.133 1.00 13.30 O ATOM 635 CB GLU A 38 -11.773 2.919 3.384 1.00 42.44 C ATOM 636 CG GLU A 38 -12.736 3.180 2.205 1.00 51.50 C ATOM 637 CD GLU A 38 -14.003 2.313 2.272 1.00 63.34 C ATOM 638 OE1 GLU A 38 -14.913 2.649 3.060 1.00 40.30 O ATOM 639 OE2 GLU A 38 -14.102 1.301 1.551 1.00 21.42 O ATOM 0 H GLU A 38 -11.893 5.383 3.059 1.00 44.30 H new ATOM 0 HA GLU A 38 -10.024 3.666 4.398 1.00 23.34 H new ATOM 0 HB2 GLU A 38 -11.432 1.885 3.330 1.00 42.44 H new ATOM 0 HB3 GLU A 38 -12.330 3.023 4.315 1.00 42.44 H new ATOM 0 HG2 GLU A 38 -13.020 4.232 2.199 1.00 51.50 H new ATOM 0 HG3 GLU A 38 -12.216 2.985 1.267 1.00 51.50 H new ATOM 646 N ILE A 39 -8.269 3.231 2.745 1.00 64.43 N ATOM 647 CA ILE A 39 -7.174 2.846 1.847 1.00 61.44 C ATOM 648 C ILE A 39 -7.075 1.311 1.825 1.00 73.05 C ATOM 649 O ILE A 39 -6.875 0.681 2.873 1.00 51.04 O ATOM 650 CB ILE A 39 -5.798 3.463 2.306 1.00 65.15 C ATOM 651 CG1 ILE A 39 -5.898 5.017 2.447 1.00 31.12 C ATOM 652 CG2 ILE A 39 -4.666 3.066 1.327 1.00 24.22 C ATOM 653 CD1 ILE A 39 -4.643 5.695 2.985 1.00 52.32 C ATOM 0 H ILE A 39 -7.998 3.252 3.728 1.00 64.43 H new ATOM 0 HA ILE A 39 -7.388 3.232 0.850 1.00 61.44 H new ATOM 0 HB ILE A 39 -5.556 3.055 3.287 1.00 65.15 H new ATOM 0 HG12 ILE A 39 -6.132 5.441 1.471 1.00 31.12 H new ATOM 0 HG13 ILE A 39 -6.733 5.254 3.107 1.00 31.12 H new ATOM 0 HG21 ILE A 39 -3.725 3.502 1.662 1.00 24.22 H new ATOM 0 HG22 ILE A 39 -4.573 1.980 1.299 1.00 24.22 H new ATOM 0 HG23 ILE A 39 -4.902 3.436 0.329 1.00 24.22 H new ATOM 0 HD11 ILE A 39 -4.809 6.771 3.047 1.00 52.32 H new ATOM 0 HD12 ILE A 39 -4.416 5.305 3.977 1.00 52.32 H new ATOM 0 HD13 ILE A 39 -3.806 5.495 2.316 1.00 52.32 H new ATOM 665 N VAL A 40 -7.260 0.722 0.629 1.00 41.11 N ATOM 666 CA VAL A 40 -7.161 -0.731 0.418 1.00 1.41 C ATOM 667 C VAL A 40 -5.868 -1.026 -0.365 1.00 13.15 C ATOM 668 O VAL A 40 -5.807 -0.812 -1.574 1.00 5.34 O ATOM 669 CB VAL A 40 -8.409 -1.289 -0.376 1.00 60.23 C ATOM 670 CG1 VAL A 40 -8.418 -2.839 -0.393 1.00 3.22 C ATOM 671 CG2 VAL A 40 -9.737 -0.708 0.172 1.00 20.03 C ATOM 0 H VAL A 40 -7.483 1.243 -0.219 1.00 41.11 H new ATOM 0 HA VAL A 40 -7.142 -1.227 1.389 1.00 1.41 H new ATOM 0 HB VAL A 40 -8.319 -0.956 -1.410 1.00 60.23 H new ATOM 0 HG11 VAL A 40 -9.288 -3.192 -0.946 1.00 3.22 H new ATOM 0 HG12 VAL A 40 -7.510 -3.203 -0.874 1.00 3.22 H new ATOM 0 HG13 VAL A 40 -8.462 -3.214 0.630 1.00 3.22 H new ATOM 0 HG21 VAL A 40 -10.574 -1.113 -0.397 1.00 20.03 H new ATOM 0 HG22 VAL A 40 -9.847 -0.979 1.222 1.00 20.03 H new ATOM 0 HG23 VAL A 40 -9.726 0.378 0.077 1.00 20.03 H new ATOM 681 N VAL A 41 -4.833 -1.511 0.335 1.00 35.13 N ATOM 682 CA VAL A 41 -3.548 -1.907 -0.280 1.00 34.41 C ATOM 683 C VAL A 41 -3.596 -3.417 -0.556 1.00 73.32 C ATOM 684 O VAL A 41 -4.091 -4.173 0.280 1.00 61.21 O ATOM 685 CB VAL A 41 -2.348 -1.562 0.673 1.00 32.42 C ATOM 686 CG1 VAL A 41 -0.975 -1.877 0.029 1.00 14.15 C ATOM 687 CG2 VAL A 41 -2.420 -0.093 1.139 1.00 54.52 C ATOM 0 H VAL A 41 -4.858 -1.642 1.346 1.00 35.13 H new ATOM 0 HA VAL A 41 -3.397 -1.360 -1.211 1.00 34.41 H new ATOM 0 HB VAL A 41 -2.440 -2.205 1.548 1.00 32.42 H new ATOM 0 HG11 VAL A 41 -0.178 -1.621 0.727 1.00 14.15 H new ATOM 0 HG12 VAL A 41 -0.920 -2.939 -0.210 1.00 14.15 H new ATOM 0 HG13 VAL A 41 -0.859 -1.293 -0.884 1.00 14.15 H new ATOM 0 HG21 VAL A 41 -1.578 0.121 1.798 1.00 54.52 H new ATOM 0 HG22 VAL A 41 -2.379 0.566 0.272 1.00 54.52 H new ATOM 0 HG23 VAL A 41 -3.353 0.073 1.677 1.00 54.52 H new ATOM 697 N GLU A 42 -3.095 -3.860 -1.717 1.00 11.14 N ATOM 698 CA GLU A 42 -3.211 -5.266 -2.130 1.00 13.53 C ATOM 699 C GLU A 42 -1.893 -5.758 -2.760 1.00 0.34 C ATOM 700 O GLU A 42 -1.554 -5.382 -3.883 1.00 25.13 O ATOM 701 CB GLU A 42 -4.413 -5.442 -3.088 1.00 52.54 C ATOM 702 CG GLU A 42 -4.840 -6.902 -3.314 1.00 71.24 C ATOM 703 CD GLU A 42 -6.070 -7.042 -4.215 1.00 3.11 C ATOM 704 OE1 GLU A 42 -6.069 -7.898 -5.115 1.00 64.44 O ATOM 705 OE2 GLU A 42 -7.046 -6.289 -4.041 1.00 72.33 O ATOM 0 H GLU A 42 -2.606 -3.266 -2.387 1.00 11.14 H new ATOM 0 HA GLU A 42 -3.396 -5.883 -1.250 1.00 13.53 H new ATOM 0 HB2 GLU A 42 -5.262 -4.886 -2.691 1.00 52.54 H new ATOM 0 HB3 GLU A 42 -4.162 -4.997 -4.051 1.00 52.54 H new ATOM 0 HG2 GLU A 42 -4.009 -7.451 -3.757 1.00 71.24 H new ATOM 0 HG3 GLU A 42 -5.050 -7.365 -2.350 1.00 71.24 H new ATOM 712 N VAL A 43 -1.168 -6.622 -2.030 1.00 71.52 N ATOM 713 CA VAL A 43 0.159 -7.127 -2.441 1.00 10.22 C ATOM 714 C VAL A 43 -0.004 -8.403 -3.296 1.00 51.23 C ATOM 715 O VAL A 43 -0.569 -9.390 -2.831 1.00 12.44 O ATOM 716 CB VAL A 43 1.055 -7.451 -1.182 1.00 34.43 C ATOM 717 CG1 VAL A 43 2.486 -7.876 -1.590 1.00 54.25 C ATOM 718 CG2 VAL A 43 1.084 -6.264 -0.191 1.00 53.03 C ATOM 0 H VAL A 43 -1.484 -6.993 -1.134 1.00 71.52 H new ATOM 0 HA VAL A 43 0.649 -6.351 -3.028 1.00 10.22 H new ATOM 0 HB VAL A 43 0.598 -8.299 -0.672 1.00 34.43 H new ATOM 0 HG11 VAL A 43 3.071 -8.090 -0.696 1.00 54.25 H new ATOM 0 HG12 VAL A 43 2.437 -8.769 -2.214 1.00 54.25 H new ATOM 0 HG13 VAL A 43 2.960 -7.069 -2.149 1.00 54.25 H new ATOM 0 HG21 VAL A 43 1.709 -6.519 0.664 1.00 53.03 H new ATOM 0 HG22 VAL A 43 1.492 -5.384 -0.689 1.00 53.03 H new ATOM 0 HG23 VAL A 43 0.071 -6.051 0.151 1.00 53.03 H new ATOM 728 N HIS A 44 0.472 -8.356 -4.552 1.00 12.05 N ATOM 729 CA HIS A 44 0.444 -9.505 -5.490 1.00 75.52 C ATOM 730 C HIS A 44 1.850 -10.106 -5.623 1.00 64.41 C ATOM 731 O HIS A 44 2.746 -9.454 -6.155 1.00 55.23 O ATOM 732 CB HIS A 44 -0.056 -9.055 -6.895 1.00 44.22 C ATOM 733 CG HIS A 44 -1.513 -8.677 -6.986 1.00 13.33 C ATOM 734 ND1 HIS A 44 -2.126 -8.374 -8.181 1.00 61.13 N ATOM 735 CD2 HIS A 44 -2.484 -8.592 -6.047 1.00 41.11 C ATOM 736 CE1 HIS A 44 -3.395 -8.116 -7.970 1.00 20.13 C ATOM 737 NE2 HIS A 44 -3.640 -8.245 -6.688 1.00 73.03 N ATOM 0 H HIS A 44 0.891 -7.517 -4.953 1.00 12.05 H new ATOM 0 HA HIS A 44 -0.241 -10.254 -5.093 1.00 75.52 H new ATOM 0 HB2 HIS A 44 0.541 -8.202 -7.216 1.00 44.22 H new ATOM 0 HB3 HIS A 44 0.135 -9.862 -7.603 1.00 44.22 H new ATOM 0 HD2 HIS A 44 -2.367 -8.766 -4.988 1.00 41.11 H new ATOM 0 HE1 HIS A 44 -4.117 -7.843 -8.725 1.00 20.13 H new ATOM 0 HE2 HIS A 44 -4.547 -8.108 -6.242 1.00 73.03 H new ATOM 746 N ILE A 45 2.051 -11.335 -5.108 1.00 14.01 N ATOM 747 CA ILE A 45 3.328 -12.068 -5.245 1.00 74.00 C ATOM 748 C ILE A 45 3.041 -13.540 -5.583 1.00 45.54 C ATOM 749 O ILE A 45 2.443 -14.257 -4.776 1.00 33.01 O ATOM 750 CB ILE A 45 4.215 -11.982 -3.949 1.00 74.34 C ATOM 751 CG1 ILE A 45 4.575 -10.505 -3.628 1.00 14.44 C ATOM 752 CG2 ILE A 45 5.493 -12.856 -4.088 1.00 23.13 C ATOM 753 CD1 ILE A 45 5.464 -10.309 -2.430 1.00 21.51 C ATOM 0 H ILE A 45 1.338 -11.846 -4.588 1.00 14.01 H new ATOM 0 HA ILE A 45 3.891 -11.597 -6.051 1.00 74.00 H new ATOM 0 HB ILE A 45 3.636 -12.376 -3.114 1.00 74.34 H new ATOM 0 HG12 ILE A 45 5.065 -10.069 -4.499 1.00 14.44 H new ATOM 0 HG13 ILE A 45 3.651 -9.949 -3.470 1.00 14.44 H new ATOM 0 HG21 ILE A 45 6.088 -12.778 -3.178 1.00 23.13 H new ATOM 0 HG22 ILE A 45 5.207 -13.896 -4.247 1.00 23.13 H new ATOM 0 HG23 ILE A 45 6.081 -12.508 -4.937 1.00 23.13 H new ATOM 0 HD11 ILE A 45 5.657 -9.245 -2.290 1.00 21.51 H new ATOM 0 HD12 ILE A 45 4.972 -10.708 -1.543 1.00 21.51 H new ATOM 0 HD13 ILE A 45 6.408 -10.831 -2.588 1.00 21.51 H new ATOM 765 N ASN A 46 3.446 -13.948 -6.806 1.00 43.14 N ATOM 766 CA ASN A 46 3.362 -15.342 -7.313 1.00 13.43 C ATOM 767 C ASN A 46 1.921 -15.897 -7.367 1.00 1.23 C ATOM 768 O ASN A 46 1.730 -17.108 -7.529 1.00 54.20 O ATOM 769 CB ASN A 46 4.310 -16.287 -6.508 1.00 65.50 C ATOM 770 CG ASN A 46 5.797 -15.926 -6.655 1.00 13.25 C ATOM 771 OD1 ASN A 46 6.216 -15.319 -7.635 1.00 1.32 O ATOM 772 ND2 ASN A 46 6.610 -16.340 -5.707 1.00 4.24 N ATOM 0 H ASN A 46 3.850 -13.305 -7.486 1.00 43.14 H new ATOM 0 HA ASN A 46 3.701 -15.309 -8.348 1.00 13.43 H new ATOM 0 HB2 ASN A 46 4.037 -16.251 -5.453 1.00 65.50 H new ATOM 0 HB3 ASN A 46 4.158 -17.313 -6.842 1.00 65.50 H new ATOM 0 HD21 ASN A 46 7.611 -16.158 -5.778 1.00 4.24 H new ATOM 0 HD22 ASN A 46 6.239 -16.843 -4.901 1.00 4.24 H new ATOM 779 N GLY A 47 0.913 -15.001 -7.285 1.00 63.41 N ATOM 780 CA GLY A 47 -0.500 -15.397 -7.313 1.00 73.41 C ATOM 781 C GLY A 47 -1.244 -15.058 -6.027 1.00 74.14 C ATOM 782 O GLY A 47 -2.481 -15.071 -6.010 1.00 0.03 O ATOM 0 H GLY A 47 1.060 -13.995 -7.199 1.00 63.41 H new ATOM 0 HA2 GLY A 47 -0.992 -14.903 -8.151 1.00 73.41 H new ATOM 0 HA3 GLY A 47 -0.566 -16.470 -7.491 1.00 73.41 H new ATOM 786 N GLU A 48 -0.493 -14.765 -4.944 1.00 74.04 N ATOM 787 CA GLU A 48 -1.070 -14.404 -3.633 1.00 60.44 C ATOM 788 C GLU A 48 -1.483 -12.920 -3.620 1.00 55.51 C ATOM 789 O GLU A 48 -0.631 -12.051 -3.785 1.00 4.44 O ATOM 790 CB GLU A 48 -0.035 -14.665 -2.492 1.00 23.34 C ATOM 791 CG GLU A 48 0.485 -16.110 -2.419 1.00 33.43 C ATOM 792 CD GLU A 48 1.484 -16.344 -1.271 1.00 51.12 C ATOM 793 OE1 GLU A 48 1.062 -16.763 -0.172 1.00 71.45 O ATOM 794 OE2 GLU A 48 2.699 -16.103 -1.459 1.00 50.04 O ATOM 0 H GLU A 48 0.527 -14.772 -4.954 1.00 74.04 H new ATOM 0 HA GLU A 48 -1.951 -15.024 -3.466 1.00 60.44 H new ATOM 0 HB2 GLU A 48 0.813 -13.994 -2.628 1.00 23.34 H new ATOM 0 HB3 GLU A 48 -0.494 -14.409 -1.537 1.00 23.34 H new ATOM 0 HG2 GLU A 48 -0.361 -16.787 -2.298 1.00 33.43 H new ATOM 0 HG3 GLU A 48 0.964 -16.364 -3.365 1.00 33.43 H new ATOM 801 N ARG A 49 -2.792 -12.647 -3.455 1.00 41.13 N ATOM 802 CA ARG A 49 -3.306 -11.283 -3.229 1.00 5.21 C ATOM 803 C ARG A 49 -3.482 -11.069 -1.710 1.00 15.01 C ATOM 804 O ARG A 49 -4.156 -11.859 -1.034 1.00 72.01 O ATOM 805 CB ARG A 49 -4.644 -11.055 -4.009 1.00 14.22 C ATOM 806 CG ARG A 49 -5.836 -11.952 -3.585 1.00 1.43 C ATOM 807 CD ARG A 49 -7.105 -11.708 -4.420 1.00 30.45 C ATOM 808 NE ARG A 49 -7.553 -10.303 -4.371 1.00 64.41 N ATOM 809 CZ ARG A 49 -8.790 -9.863 -4.666 1.00 1.42 C ATOM 810 NH1 ARG A 49 -9.758 -10.708 -5.031 1.00 50.53 N ATOM 811 NH2 ARG A 49 -9.040 -8.559 -4.628 1.00 74.51 N ATOM 0 H ARG A 49 -3.519 -13.362 -3.475 1.00 41.13 H new ATOM 0 HA ARG A 49 -2.595 -10.549 -3.610 1.00 5.21 H new ATOM 0 HB2 ARG A 49 -4.938 -10.012 -3.890 1.00 14.22 H new ATOM 0 HB3 ARG A 49 -4.455 -11.213 -5.071 1.00 14.22 H new ATOM 0 HG2 ARG A 49 -5.545 -12.999 -3.675 1.00 1.43 H new ATOM 0 HG3 ARG A 49 -6.061 -11.773 -2.533 1.00 1.43 H new ATOM 0 HD2 ARG A 49 -6.914 -11.989 -5.456 1.00 30.45 H new ATOM 0 HD3 ARG A 49 -7.905 -12.354 -4.057 1.00 30.45 H new ATOM 0 HE ARG A 49 -6.865 -9.605 -4.089 1.00 64.41 H new ATOM 0 HH11 ARG A 49 -9.566 -11.708 -5.090 1.00 50.53 H new ATOM 0 HH12 ARG A 49 -10.689 -10.353 -5.250 1.00 50.53 H new ATOM 0 HH21 ARG A 49 -8.299 -7.905 -4.377 1.00 74.51 H new ATOM 0 HH22 ARG A 49 -9.973 -8.212 -4.849 1.00 74.51 H new ATOM 825 N ASP A 50 -2.819 -10.041 -1.164 1.00 14.14 N ATOM 826 CA ASP A 50 -2.905 -9.703 0.265 1.00 52.50 C ATOM 827 C ASP A 50 -3.660 -8.388 0.402 1.00 42.12 C ATOM 828 O ASP A 50 -3.114 -7.342 0.090 1.00 23.03 O ATOM 829 CB ASP A 50 -1.482 -9.551 0.848 1.00 55.45 C ATOM 830 CG ASP A 50 -1.468 -9.204 2.347 1.00 11.22 C ATOM 831 OD1 ASP A 50 -0.976 -8.125 2.738 1.00 54.31 O ATOM 832 OD2 ASP A 50 -1.934 -10.033 3.153 1.00 75.41 O ATOM 0 H ASP A 50 -2.209 -9.421 -1.698 1.00 14.14 H new ATOM 0 HA ASP A 50 -3.426 -10.492 0.808 1.00 52.50 H new ATOM 0 HB2 ASP A 50 -0.933 -10.480 0.693 1.00 55.45 H new ATOM 0 HB3 ASP A 50 -0.953 -8.773 0.298 1.00 55.45 H new ATOM 837 N GLU A 51 -4.883 -8.450 0.920 1.00 53.12 N ATOM 838 CA GLU A 51 -5.756 -7.271 1.047 1.00 15.12 C ATOM 839 C GLU A 51 -5.564 -6.643 2.430 1.00 43.50 C ATOM 840 O GLU A 51 -5.594 -7.347 3.445 1.00 4.34 O ATOM 841 CB GLU A 51 -7.243 -7.655 0.857 1.00 4.43 C ATOM 842 CG GLU A 51 -8.231 -6.464 0.997 1.00 24.24 C ATOM 843 CD GLU A 51 -9.657 -6.907 1.322 1.00 12.22 C ATOM 844 OE1 GLU A 51 -10.549 -6.812 0.465 1.00 23.52 O ATOM 845 OE2 GLU A 51 -9.886 -7.378 2.457 1.00 33.13 O ATOM 0 H GLU A 51 -5.303 -9.313 1.265 1.00 53.12 H new ATOM 0 HA GLU A 51 -5.484 -6.556 0.270 1.00 15.12 H new ATOM 0 HB2 GLU A 51 -7.368 -8.102 -0.129 1.00 4.43 H new ATOM 0 HB3 GLU A 51 -7.506 -8.419 1.589 1.00 4.43 H new ATOM 0 HG2 GLU A 51 -7.876 -5.795 1.781 1.00 24.24 H new ATOM 0 HG3 GLU A 51 -8.236 -5.892 0.069 1.00 24.24 H new ATOM 852 N ILE A 52 -5.379 -5.322 2.457 1.00 74.33 N ATOM 853 CA ILE A 52 -5.139 -4.557 3.682 1.00 64.44 C ATOM 854 C ILE A 52 -6.099 -3.358 3.647 1.00 21.40 C ATOM 855 O ILE A 52 -5.883 -2.420 2.885 1.00 60.43 O ATOM 856 CB ILE A 52 -3.640 -4.036 3.743 1.00 42.32 C ATOM 857 CG1 ILE A 52 -2.625 -5.151 3.309 1.00 10.42 C ATOM 858 CG2 ILE A 52 -3.302 -3.512 5.159 1.00 2.24 C ATOM 859 CD1 ILE A 52 -1.256 -4.639 2.906 1.00 15.34 C ATOM 0 H ILE A 52 -5.392 -4.745 1.616 1.00 74.33 H new ATOM 0 HA ILE A 52 -5.305 -5.183 4.559 1.00 64.44 H new ATOM 0 HB ILE A 52 -3.548 -3.211 3.036 1.00 42.32 H new ATOM 0 HG12 ILE A 52 -2.507 -5.856 4.132 1.00 10.42 H new ATOM 0 HG13 ILE A 52 -3.051 -5.706 2.473 1.00 10.42 H new ATOM 0 HG21 ILE A 52 -2.271 -3.160 5.180 1.00 2.24 H new ATOM 0 HG22 ILE A 52 -3.972 -2.690 5.412 1.00 2.24 H new ATOM 0 HG23 ILE A 52 -3.425 -4.317 5.884 1.00 2.24 H new ATOM 0 HD11 ILE A 52 -0.622 -5.479 2.622 1.00 15.34 H new ATOM 0 HD12 ILE A 52 -1.356 -3.958 2.061 1.00 15.34 H new ATOM 0 HD13 ILE A 52 -0.804 -4.111 3.745 1.00 15.34 H new ATOM 871 N ARG A 53 -7.167 -3.407 4.448 1.00 41.54 N ATOM 872 CA ARG A 53 -8.157 -2.318 4.533 1.00 30.04 C ATOM 873 C ARG A 53 -7.917 -1.532 5.824 1.00 42.00 C ATOM 874 O ARG A 53 -7.821 -2.124 6.904 1.00 65.12 O ATOM 875 CB ARG A 53 -9.611 -2.890 4.462 1.00 54.14 C ATOM 876 CG ARG A 53 -10.126 -3.121 3.026 1.00 45.41 C ATOM 877 CD ARG A 53 -11.539 -3.730 2.976 1.00 71.24 C ATOM 878 NE ARG A 53 -11.536 -5.137 3.391 1.00 60.55 N ATOM 879 CZ ARG A 53 -12.602 -5.845 3.784 1.00 45.23 C ATOM 880 NH1 ARG A 53 -13.816 -5.300 3.863 1.00 15.54 N ATOM 881 NH2 ARG A 53 -12.445 -7.126 4.048 1.00 53.51 N ATOM 0 H ARG A 53 -7.374 -4.199 5.057 1.00 41.54 H new ATOM 0 HA ARG A 53 -8.041 -1.642 3.686 1.00 30.04 H new ATOM 0 HB2 ARG A 53 -9.646 -3.834 5.006 1.00 54.14 H new ATOM 0 HB3 ARG A 53 -10.286 -2.203 4.973 1.00 54.14 H new ATOM 0 HG2 ARG A 53 -10.128 -2.171 2.491 1.00 45.41 H new ATOM 0 HG3 ARG A 53 -9.435 -3.781 2.501 1.00 45.41 H new ATOM 0 HD2 ARG A 53 -12.204 -3.160 3.625 1.00 71.24 H new ATOM 0 HD3 ARG A 53 -11.935 -3.650 1.964 1.00 71.24 H new ATOM 0 HE ARG A 53 -10.638 -5.621 3.379 1.00 60.55 H new ATOM 0 HH11 ARG A 53 -13.951 -4.318 3.621 1.00 15.54 H new ATOM 0 HH12 ARG A 53 -14.610 -5.865 4.166 1.00 15.54 H new ATOM 0 HH21 ARG A 53 -11.526 -7.558 3.951 1.00 53.51 H new ATOM 0 HH22 ARG A 53 -13.242 -7.686 4.349 1.00 53.51 H new ATOM 895 N VAL A 54 -7.784 -0.201 5.698 1.00 23.24 N ATOM 896 CA VAL A 54 -7.561 0.694 6.841 1.00 3.24 C ATOM 897 C VAL A 54 -8.394 1.979 6.663 1.00 44.25 C ATOM 898 O VAL A 54 -8.610 2.429 5.538 1.00 1.54 O ATOM 899 CB VAL A 54 -6.026 1.028 7.003 1.00 31.42 C ATOM 900 CG1 VAL A 54 -5.502 1.994 5.914 1.00 21.13 C ATOM 901 CG2 VAL A 54 -5.715 1.528 8.431 1.00 30.03 C ATOM 0 H VAL A 54 -7.828 0.282 4.801 1.00 23.24 H new ATOM 0 HA VAL A 54 -7.884 0.192 7.753 1.00 3.24 H new ATOM 0 HB VAL A 54 -5.480 0.097 6.854 1.00 31.42 H new ATOM 0 HG11 VAL A 54 -4.442 2.186 6.078 1.00 21.13 H new ATOM 0 HG12 VAL A 54 -5.642 1.544 4.931 1.00 21.13 H new ATOM 0 HG13 VAL A 54 -6.053 2.933 5.965 1.00 21.13 H new ATOM 0 HG21 VAL A 54 -4.651 1.751 8.515 1.00 30.03 H new ATOM 0 HG22 VAL A 54 -6.292 2.430 8.634 1.00 30.03 H new ATOM 0 HG23 VAL A 54 -5.982 0.756 9.153 1.00 30.03 H new ATOM 911 N ARG A 55 -8.883 2.547 7.775 1.00 44.43 N ATOM 912 CA ARG A 55 -9.641 3.817 7.770 1.00 71.10 C ATOM 913 C ARG A 55 -9.036 4.794 8.779 1.00 41.13 C ATOM 914 O ARG A 55 -8.595 4.366 9.853 1.00 0.43 O ATOM 915 CB ARG A 55 -11.135 3.594 8.118 1.00 11.24 C ATOM 916 CG ARG A 55 -11.926 2.782 7.081 1.00 60.14 C ATOM 917 CD ARG A 55 -13.440 2.799 7.356 1.00 64.33 C ATOM 918 NE ARG A 55 -13.953 4.179 7.456 1.00 3.54 N ATOM 919 CZ ARG A 55 -14.308 4.963 6.420 1.00 0.50 C ATOM 920 NH1 ARG A 55 -14.233 4.538 5.164 1.00 72.35 N ATOM 921 NH2 ARG A 55 -14.721 6.197 6.659 1.00 51.11 N ATOM 0 H ARG A 55 -8.767 2.143 8.705 1.00 44.43 H new ATOM 0 HA ARG A 55 -9.578 4.230 6.763 1.00 71.10 H new ATOM 0 HB2 ARG A 55 -11.197 3.086 9.080 1.00 11.24 H new ATOM 0 HB3 ARG A 55 -11.614 4.566 8.239 1.00 11.24 H new ATOM 0 HG2 ARG A 55 -11.735 3.184 6.086 1.00 60.14 H new ATOM 0 HG3 ARG A 55 -11.571 1.752 7.082 1.00 60.14 H new ATOM 0 HD2 ARG A 55 -13.962 2.272 6.558 1.00 64.33 H new ATOM 0 HD3 ARG A 55 -13.649 2.263 8.282 1.00 64.33 H new ATOM 0 HE ARG A 55 -14.047 4.574 8.392 1.00 3.54 H new ATOM 0 HH11 ARG A 55 -13.900 3.595 4.964 1.00 72.35 H new ATOM 0 HH12 ARG A 55 -14.509 5.154 4.400 1.00 72.35 H new ATOM 0 HH21 ARG A 55 -14.767 6.543 7.618 1.00 51.11 H new ATOM 0 HH22 ARG A 55 -14.993 6.803 5.885 1.00 51.11 H new ATOM 935 N ASN A 56 -9.032 6.092 8.404 1.00 62.14 N ATOM 936 CA ASN A 56 -8.705 7.221 9.299 1.00 61.03 C ATOM 937 C ASN A 56 -7.362 7.007 10.024 1.00 2.43 C ATOM 938 O ASN A 56 -7.331 6.615 11.199 1.00 31.44 O ATOM 939 CB ASN A 56 -9.863 7.467 10.316 1.00 11.15 C ATOM 940 CG ASN A 56 -11.253 7.638 9.680 1.00 13.32 C ATOM 941 OD1 ASN A 56 -12.268 7.237 10.263 1.00 11.14 O ATOM 942 ND2 ASN A 56 -11.324 8.252 8.507 1.00 15.21 N ATOM 0 H ASN A 56 -9.260 6.388 7.455 1.00 62.14 H new ATOM 0 HA ASN A 56 -8.595 8.113 8.682 1.00 61.03 H new ATOM 0 HB2 ASN A 56 -9.899 6.631 11.014 1.00 11.15 H new ATOM 0 HB3 ASN A 56 -9.633 8.359 10.899 1.00 11.15 H new ATOM 0 HD21 ASN A 56 -12.231 8.403 8.065 1.00 15.21 H new ATOM 0 HD22 ASN A 56 -10.472 8.573 8.047 1.00 15.21 H new ATOM 949 N ILE A 57 -6.256 7.227 9.300 1.00 53.52 N ATOM 950 CA ILE A 57 -4.891 6.940 9.789 1.00 52.20 C ATOM 951 C ILE A 57 -3.906 8.038 9.354 1.00 10.11 C ATOM 952 O ILE A 57 -4.047 8.600 8.275 1.00 74.43 O ATOM 953 CB ILE A 57 -4.401 5.489 9.345 1.00 74.10 C ATOM 954 CG1 ILE A 57 -4.889 5.079 7.905 1.00 51.22 C ATOM 955 CG2 ILE A 57 -4.835 4.431 10.386 1.00 43.13 C ATOM 956 CD1 ILE A 57 -4.190 5.754 6.738 1.00 12.34 C ATOM 0 H ILE A 57 -6.278 7.610 8.355 1.00 53.52 H new ATOM 0 HA ILE A 57 -4.921 6.942 10.879 1.00 52.20 H new ATOM 0 HB ILE A 57 -3.313 5.531 9.300 1.00 74.10 H new ATOM 0 HG12 ILE A 57 -4.769 4.001 7.798 1.00 51.22 H new ATOM 0 HG13 ILE A 57 -5.956 5.290 7.833 1.00 51.22 H new ATOM 0 HG21 ILE A 57 -4.493 3.446 10.068 1.00 43.13 H new ATOM 0 HG22 ILE A 57 -4.397 4.672 11.354 1.00 43.13 H new ATOM 0 HG23 ILE A 57 -5.922 4.428 10.470 1.00 43.13 H new ATOM 0 HD11 ILE A 57 -4.613 5.391 5.801 1.00 12.34 H new ATOM 0 HD12 ILE A 57 -4.330 6.833 6.805 1.00 12.34 H new ATOM 0 HD13 ILE A 57 -3.125 5.524 6.769 1.00 12.34 H new ATOM 968 N SER A 58 -2.917 8.328 10.220 1.00 20.14 N ATOM 969 CA SER A 58 -1.921 9.405 10.008 1.00 55.10 C ATOM 970 C SER A 58 -0.638 8.864 9.337 1.00 33.40 C ATOM 971 O SER A 58 -0.575 7.677 9.002 1.00 4.44 O ATOM 972 CB SER A 58 -1.607 10.045 11.373 1.00 40.55 C ATOM 973 OG SER A 58 -2.783 10.548 11.988 1.00 44.30 O ATOM 0 H SER A 58 -2.782 7.820 11.094 1.00 20.14 H new ATOM 0 HA SER A 58 -2.332 10.155 9.332 1.00 55.10 H new ATOM 0 HB2 SER A 58 -1.140 9.307 12.025 1.00 40.55 H new ATOM 0 HB3 SER A 58 -0.888 10.854 11.241 1.00 40.55 H new ATOM 0 HG SER A 58 -2.555 10.947 12.853 1.00 44.30 H new ATOM 979 N LYS A 59 0.385 9.750 9.177 1.00 61.42 N ATOM 980 CA LYS A 59 1.662 9.438 8.480 1.00 42.44 C ATOM 981 C LYS A 59 2.337 8.155 9.031 1.00 71.51 C ATOM 982 O LYS A 59 2.680 7.262 8.262 1.00 41.24 O ATOM 983 CB LYS A 59 2.637 10.654 8.567 1.00 62.35 C ATOM 984 CG LYS A 59 2.958 11.116 10.009 1.00 41.22 C ATOM 985 CD LYS A 59 3.904 12.336 10.072 1.00 4.23 C ATOM 986 CE LYS A 59 4.172 12.799 11.512 1.00 53.14 C ATOM 987 NZ LYS A 59 5.091 13.973 11.570 1.00 32.44 N ATOM 0 H LYS A 59 0.344 10.706 9.531 1.00 61.42 H new ATOM 0 HA LYS A 59 1.422 9.246 7.434 1.00 42.44 H new ATOM 0 HB2 LYS A 59 3.569 10.393 8.066 1.00 62.35 H new ATOM 0 HB3 LYS A 59 2.204 11.491 8.019 1.00 62.35 H new ATOM 0 HG2 LYS A 59 2.026 11.363 10.518 1.00 41.22 H new ATOM 0 HG3 LYS A 59 3.410 10.288 10.555 1.00 41.22 H new ATOM 0 HD2 LYS A 59 4.850 12.083 9.593 1.00 4.23 H new ATOM 0 HD3 LYS A 59 3.469 13.159 9.504 1.00 4.23 H new ATOM 0 HE2 LYS A 59 3.227 13.057 11.990 1.00 53.14 H new ATOM 0 HE3 LYS A 59 4.603 11.975 12.081 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 5.241 14.248 12.562 1.00 32.44 H new ATOM 0 HZ2 LYS A 59 6.003 13.721 11.139 1.00 32.44 H new ATOM 0 HZ3 LYS A 59 4.670 14.769 11.050 1.00 32.44 H new ATOM 1001 N GLU A 60 2.458 8.058 10.373 1.00 55.20 N ATOM 1002 CA GLU A 60 3.147 6.936 11.050 1.00 5.10 C ATOM 1003 C GLU A 60 2.325 5.633 10.960 1.00 51.11 C ATOM 1004 O GLU A 60 2.872 4.534 11.008 1.00 2.30 O ATOM 1005 CB GLU A 60 3.424 7.311 12.533 1.00 2.43 C ATOM 1006 CG GLU A 60 2.155 7.580 13.370 1.00 62.24 C ATOM 1007 CD GLU A 60 2.457 8.055 14.801 1.00 22.23 C ATOM 1008 OE1 GLU A 60 2.696 9.258 15.000 1.00 10.10 O ATOM 1009 OE2 GLU A 60 2.468 7.234 15.725 1.00 64.22 O ATOM 0 H GLU A 60 2.082 8.754 11.017 1.00 55.20 H new ATOM 0 HA GLU A 60 4.095 6.757 10.543 1.00 5.10 H new ATOM 0 HB2 GLU A 60 3.988 6.504 13.000 1.00 2.43 H new ATOM 0 HB3 GLU A 60 4.056 8.198 12.559 1.00 2.43 H new ATOM 0 HG2 GLU A 60 1.549 8.332 12.866 1.00 62.24 H new ATOM 0 HG3 GLU A 60 1.559 6.669 13.416 1.00 62.24 H new ATOM 1016 N GLU A 61 1.007 5.784 10.803 1.00 42.40 N ATOM 1017 CA GLU A 61 0.056 4.663 10.800 1.00 1.24 C ATOM 1018 C GLU A 61 -0.027 4.010 9.409 1.00 61.12 C ATOM 1019 O GLU A 61 -0.062 2.781 9.292 1.00 21.12 O ATOM 1020 CB GLU A 61 -1.321 5.182 11.269 1.00 50.54 C ATOM 1021 CG GLU A 61 -1.326 5.803 12.684 1.00 23.54 C ATOM 1022 CD GLU A 61 -1.002 4.782 13.795 1.00 73.14 C ATOM 1023 OE1 GLU A 61 -1.934 4.102 14.281 1.00 20.43 O ATOM 1024 OE2 GLU A 61 0.182 4.641 14.174 1.00 50.43 O ATOM 0 H GLU A 61 0.564 6.694 10.673 1.00 42.40 H new ATOM 0 HA GLU A 61 0.399 3.889 11.487 1.00 1.24 H new ATOM 0 HB2 GLU A 61 -1.675 5.928 10.558 1.00 50.54 H new ATOM 0 HB3 GLU A 61 -2.033 4.357 11.246 1.00 50.54 H new ATOM 0 HG2 GLU A 61 -0.599 6.614 12.721 1.00 23.54 H new ATOM 0 HG3 GLU A 61 -2.304 6.243 12.878 1.00 23.54 H new ATOM 1031 N LEU A 62 -0.038 4.848 8.353 1.00 61.43 N ATOM 1032 CA LEU A 62 -0.034 4.367 6.958 1.00 53.51 C ATOM 1033 C LEU A 62 1.323 3.736 6.602 1.00 53.24 C ATOM 1034 O LEU A 62 1.414 2.968 5.654 1.00 4.45 O ATOM 1035 CB LEU A 62 -0.462 5.499 5.968 1.00 50.33 C ATOM 1036 CG LEU A 62 0.380 6.828 5.942 1.00 24.11 C ATOM 1037 CD1 LEU A 62 1.638 6.718 5.053 1.00 62.44 C ATOM 1038 CD2 LEU A 62 -0.483 8.045 5.524 1.00 10.22 C ATOM 0 H LEU A 62 -0.050 5.864 8.441 1.00 61.43 H new ATOM 0 HA LEU A 62 -0.780 3.579 6.858 1.00 53.51 H new ATOM 0 HB2 LEU A 62 -0.453 5.081 4.962 1.00 50.33 H new ATOM 0 HB3 LEU A 62 -1.495 5.765 6.194 1.00 50.33 H new ATOM 0 HG LEU A 62 0.722 6.989 6.964 1.00 24.11 H new ATOM 0 HD11 LEU A 62 2.181 7.663 5.072 1.00 62.44 H new ATOM 0 HD12 LEU A 62 2.281 5.923 5.429 1.00 62.44 H new ATOM 0 HD13 LEU A 62 1.341 6.491 4.029 1.00 62.44 H new ATOM 0 HD21 LEU A 62 0.134 8.944 5.518 1.00 10.22 H new ATOM 0 HD22 LEU A 62 -0.890 7.877 4.527 1.00 10.22 H new ATOM 0 HD23 LEU A 62 -1.301 8.171 6.233 1.00 10.22 H new ATOM 1050 N LYS A 63 2.373 4.085 7.380 1.00 0.23 N ATOM 1051 CA LYS A 63 3.694 3.428 7.303 1.00 53.53 C ATOM 1052 C LYS A 63 3.596 1.906 7.494 1.00 64.31 C ATOM 1053 O LYS A 63 4.421 1.170 6.955 1.00 31.52 O ATOM 1054 CB LYS A 63 4.670 4.016 8.358 1.00 75.15 C ATOM 1055 CG LYS A 63 5.215 5.427 8.041 1.00 75.31 C ATOM 1056 CD LYS A 63 6.136 5.460 6.809 1.00 11.44 C ATOM 1057 CE LYS A 63 7.292 4.452 6.914 1.00 10.35 C ATOM 1058 NZ LYS A 63 8.098 4.630 8.155 1.00 50.54 N ATOM 0 H LYS A 63 2.327 4.829 8.077 1.00 0.23 H new ATOM 0 HA LYS A 63 4.079 3.623 6.302 1.00 53.53 H new ATOM 0 HB2 LYS A 63 4.161 4.049 9.321 1.00 75.15 H new ATOM 0 HB3 LYS A 63 5.514 3.335 8.467 1.00 75.15 H new ATOM 0 HG2 LYS A 63 4.377 6.105 7.878 1.00 75.31 H new ATOM 0 HG3 LYS A 63 5.763 5.800 8.906 1.00 75.31 H new ATOM 0 HD2 LYS A 63 5.550 5.245 5.915 1.00 11.44 H new ATOM 0 HD3 LYS A 63 6.543 6.464 6.690 1.00 11.44 H new ATOM 0 HE2 LYS A 63 6.889 3.439 6.889 1.00 10.35 H new ATOM 0 HE3 LYS A 63 7.942 4.558 6.045 1.00 10.35 H new ATOM 0 HZ1 LYS A 63 8.922 3.996 8.128 1.00 50.54 H new ATOM 0 HZ2 LYS A 63 8.422 5.616 8.220 1.00 50.54 H new ATOM 0 HZ3 LYS A 63 7.513 4.403 8.984 1.00 50.54 H new ATOM 1072 N LYS A 64 2.592 1.451 8.271 1.00 14.41 N ATOM 1073 CA LYS A 64 2.341 0.018 8.482 1.00 40.42 C ATOM 1074 C LYS A 64 1.933 -0.680 7.165 1.00 20.21 C ATOM 1075 O LYS A 64 2.275 -1.840 6.959 1.00 51.15 O ATOM 1076 CB LYS A 64 1.245 -0.199 9.558 1.00 43.32 C ATOM 1077 CG LYS A 64 1.592 0.315 10.981 1.00 42.50 C ATOM 1078 CD LYS A 64 2.879 -0.313 11.575 1.00 14.52 C ATOM 1079 CE LYS A 64 2.873 -1.857 11.593 1.00 25.30 C ATOM 1080 NZ LYS A 64 1.694 -2.421 12.304 1.00 30.53 N ATOM 0 H LYS A 64 1.941 2.062 8.763 1.00 14.41 H new ATOM 0 HA LYS A 64 3.271 -0.428 8.833 1.00 40.42 H new ATOM 0 HB2 LYS A 64 0.332 0.294 9.225 1.00 43.32 H new ATOM 0 HB3 LYS A 64 1.027 -1.265 9.619 1.00 43.32 H new ATOM 0 HG2 LYS A 64 1.709 1.398 10.948 1.00 42.50 H new ATOM 0 HG3 LYS A 64 0.755 0.105 11.647 1.00 42.50 H new ATOM 0 HD2 LYS A 64 3.738 0.030 10.998 1.00 14.52 H new ATOM 0 HD3 LYS A 64 3.012 0.052 12.594 1.00 14.52 H new ATOM 0 HE2 LYS A 64 2.885 -2.228 10.568 1.00 25.30 H new ATOM 0 HE3 LYS A 64 3.785 -2.214 12.072 1.00 25.30 H new ATOM 0 HZ1 LYS A 64 1.759 -3.459 12.315 1.00 30.53 H new ATOM 0 HZ2 LYS A 64 1.675 -2.065 13.281 1.00 30.53 H new ATOM 0 HZ3 LYS A 64 0.823 -2.134 11.814 1.00 30.53 H new ATOM 1094 N LEU A 65 1.222 0.061 6.277 1.00 21.34 N ATOM 1095 CA LEU A 65 0.792 -0.442 4.945 1.00 20.54 C ATOM 1096 C LEU A 65 2.028 -0.751 4.072 1.00 44.40 C ATOM 1097 O LEU A 65 2.049 -1.724 3.320 1.00 41.21 O ATOM 1098 CB LEU A 65 -0.105 0.615 4.232 1.00 30.01 C ATOM 1099 CG LEU A 65 -1.339 1.130 5.035 1.00 74.11 C ATOM 1100 CD1 LEU A 65 -2.097 2.227 4.259 1.00 42.35 C ATOM 1101 CD2 LEU A 65 -2.273 -0.028 5.425 1.00 40.03 C ATOM 0 H LEU A 65 0.931 1.021 6.463 1.00 21.34 H new ATOM 0 HA LEU A 65 0.216 -1.356 5.087 1.00 20.54 H new ATOM 0 HB2 LEU A 65 0.517 1.472 3.973 1.00 30.01 H new ATOM 0 HB3 LEU A 65 -0.461 0.185 3.296 1.00 30.01 H new ATOM 0 HG LEU A 65 -0.968 1.579 5.957 1.00 74.11 H new ATOM 0 HD11 LEU A 65 -2.951 2.564 4.846 1.00 42.35 H new ATOM 0 HD12 LEU A 65 -1.430 3.069 4.073 1.00 42.35 H new ATOM 0 HD13 LEU A 65 -2.447 1.825 3.308 1.00 42.35 H new ATOM 0 HD21 LEU A 65 -3.124 0.363 5.984 1.00 40.03 H new ATOM 0 HD22 LEU A 65 -2.629 -0.527 4.524 1.00 40.03 H new ATOM 0 HD23 LEU A 65 -1.729 -0.741 6.044 1.00 40.03 H new ATOM 1113 N LEU A 66 3.054 0.115 4.217 1.00 44.51 N ATOM 1114 CA LEU A 66 4.365 -0.028 3.548 1.00 24.51 C ATOM 1115 C LEU A 66 5.091 -1.288 4.079 1.00 13.32 C ATOM 1116 O LEU A 66 5.604 -2.105 3.308 1.00 4.01 O ATOM 1117 CB LEU A 66 5.262 1.226 3.799 1.00 73.44 C ATOM 1118 CG LEU A 66 4.903 2.567 3.065 1.00 55.11 C ATOM 1119 CD1 LEU A 66 3.469 3.037 3.308 1.00 2.21 C ATOM 1120 CD2 LEU A 66 5.894 3.681 3.459 1.00 14.25 C ATOM 0 H LEU A 66 2.994 0.943 4.809 1.00 44.51 H new ATOM 0 HA LEU A 66 4.189 -0.124 2.477 1.00 24.51 H new ATOM 0 HB2 LEU A 66 5.260 1.425 4.871 1.00 73.44 H new ATOM 0 HB3 LEU A 66 6.284 0.962 3.525 1.00 73.44 H new ATOM 0 HG LEU A 66 4.984 2.354 1.999 1.00 55.11 H new ATOM 0 HD11 LEU A 66 3.295 3.968 2.769 1.00 2.21 H new ATOM 0 HD12 LEU A 66 2.772 2.277 2.954 1.00 2.21 H new ATOM 0 HD13 LEU A 66 3.316 3.201 4.375 1.00 2.21 H new ATOM 0 HD21 LEU A 66 5.630 4.603 2.941 1.00 14.25 H new ATOM 0 HD22 LEU A 66 5.849 3.844 4.536 1.00 14.25 H new ATOM 0 HD23 LEU A 66 6.905 3.384 3.179 1.00 14.25 H new ATOM 1132 N GLU A 67 5.096 -1.432 5.416 1.00 60.12 N ATOM 1133 CA GLU A 67 5.787 -2.531 6.118 1.00 42.25 C ATOM 1134 C GLU A 67 5.083 -3.885 5.905 1.00 23.24 C ATOM 1135 O GLU A 67 5.712 -4.929 6.020 1.00 20.04 O ATOM 1136 CB GLU A 67 5.916 -2.191 7.618 1.00 55.25 C ATOM 1137 CG GLU A 67 6.740 -0.915 7.881 1.00 50.24 C ATOM 1138 CD GLU A 67 6.811 -0.537 9.361 1.00 3.14 C ATOM 1139 OE1 GLU A 67 7.755 -0.972 10.054 1.00 14.54 O ATOM 1140 OE2 GLU A 67 5.921 0.196 9.840 1.00 43.30 O ATOM 0 H GLU A 67 4.618 -0.786 6.045 1.00 60.12 H new ATOM 0 HA GLU A 67 6.786 -2.633 5.693 1.00 42.25 H new ATOM 0 HB2 GLU A 67 4.920 -2.067 8.043 1.00 55.25 H new ATOM 0 HB3 GLU A 67 6.381 -3.030 8.136 1.00 55.25 H new ATOM 0 HG2 GLU A 67 7.751 -1.059 7.501 1.00 50.24 H new ATOM 0 HG3 GLU A 67 6.304 -0.087 7.322 1.00 50.24 H new ATOM 1147 N ARG A 68 3.784 -3.846 5.576 1.00 43.12 N ATOM 1148 CA ARG A 68 3.004 -5.043 5.196 1.00 53.21 C ATOM 1149 C ARG A 68 3.548 -5.663 3.897 1.00 44.14 C ATOM 1150 O ARG A 68 3.655 -6.888 3.779 1.00 30.24 O ATOM 1151 CB ARG A 68 1.515 -4.654 5.014 1.00 51.33 C ATOM 1152 CG ARG A 68 0.714 -4.470 6.318 1.00 34.41 C ATOM 1153 CD ARG A 68 0.401 -5.807 6.997 1.00 32.30 C ATOM 1154 NE ARG A 68 -0.375 -6.695 6.102 1.00 32.23 N ATOM 1155 CZ ARG A 68 -1.260 -7.612 6.501 1.00 22.42 C ATOM 1156 NH1 ARG A 68 -1.517 -7.800 7.793 1.00 40.33 N ATOM 1157 NH2 ARG A 68 -1.885 -8.340 5.606 1.00 42.11 N ATOM 0 H ARG A 68 3.239 -2.984 5.564 1.00 43.12 H new ATOM 0 HA ARG A 68 3.094 -5.784 5.990 1.00 53.21 H new ATOM 0 HB2 ARG A 68 1.467 -3.726 4.444 1.00 51.33 H new ATOM 0 HB3 ARG A 68 1.027 -5.422 4.414 1.00 51.33 H new ATOM 0 HG2 ARG A 68 1.279 -3.839 7.004 1.00 34.41 H new ATOM 0 HG3 ARG A 68 -0.218 -3.948 6.100 1.00 34.41 H new ATOM 0 HD2 ARG A 68 1.331 -6.298 7.284 1.00 32.30 H new ATOM 0 HD3 ARG A 68 -0.161 -5.629 7.914 1.00 32.30 H new ATOM 0 HE ARG A 68 -0.221 -6.598 5.098 1.00 32.23 H new ATOM 0 HH11 ARG A 68 -1.035 -7.239 8.496 1.00 40.33 H new ATOM 0 HH12 ARG A 68 -2.196 -8.505 8.081 1.00 40.33 H new ATOM 0 HH21 ARG A 68 -1.693 -8.203 4.613 1.00 42.11 H new ATOM 0 HH22 ARG A 68 -2.562 -9.042 5.903 1.00 42.11 H new ATOM 1171 N ILE A 69 3.886 -4.779 2.940 1.00 71.32 N ATOM 1172 CA ILE A 69 4.459 -5.162 1.638 1.00 62.05 C ATOM 1173 C ILE A 69 5.847 -5.788 1.851 1.00 2.42 C ATOM 1174 O ILE A 69 6.166 -6.824 1.252 1.00 1.50 O ATOM 1175 CB ILE A 69 4.583 -3.916 0.680 1.00 3.51 C ATOM 1176 CG1 ILE A 69 3.219 -3.165 0.565 1.00 55.14 C ATOM 1177 CG2 ILE A 69 5.115 -4.321 -0.723 1.00 71.51 C ATOM 1178 CD1 ILE A 69 3.296 -1.823 -0.135 1.00 3.34 C ATOM 0 H ILE A 69 3.768 -3.772 3.050 1.00 71.32 H new ATOM 0 HA ILE A 69 3.792 -5.886 1.171 1.00 62.05 H new ATOM 0 HB ILE A 69 5.312 -3.235 1.120 1.00 3.51 H new ATOM 0 HG12 ILE A 69 2.513 -3.800 0.029 1.00 55.14 H new ATOM 0 HG13 ILE A 69 2.816 -3.015 1.567 1.00 55.14 H new ATOM 0 HG21 ILE A 69 5.187 -3.435 -1.355 1.00 71.51 H new ATOM 0 HG22 ILE A 69 6.101 -4.775 -0.621 1.00 71.51 H new ATOM 0 HG23 ILE A 69 4.431 -5.037 -1.179 1.00 71.51 H new ATOM 0 HD11 ILE A 69 2.304 -1.373 -0.169 1.00 3.34 H new ATOM 0 HD12 ILE A 69 3.973 -1.166 0.411 1.00 3.34 H new ATOM 0 HD13 ILE A 69 3.666 -1.963 -1.151 1.00 3.34 H new ATOM 1190 N ARG A 70 6.646 -5.162 2.761 1.00 0.41 N ATOM 1191 CA ARG A 70 8.030 -5.596 3.043 1.00 32.42 C ATOM 1192 C ARG A 70 8.043 -7.035 3.579 1.00 1.33 C ATOM 1193 O ARG A 70 8.892 -7.832 3.197 1.00 11.23 O ATOM 1194 CB ARG A 70 8.789 -4.627 4.013 1.00 51.52 C ATOM 1195 CG ARG A 70 8.802 -4.987 5.521 1.00 21.22 C ATOM 1196 CD ARG A 70 9.773 -4.119 6.329 1.00 62.25 C ATOM 1197 NE ARG A 70 9.422 -2.689 6.292 1.00 40.52 N ATOM 1198 CZ ARG A 70 10.290 -1.681 6.117 1.00 21.02 C ATOM 1199 NH1 ARG A 70 11.595 -1.918 5.951 1.00 51.42 N ATOM 1200 NH2 ARG A 70 9.841 -0.441 6.098 1.00 44.13 N ATOM 0 H ARG A 70 6.347 -4.355 3.308 1.00 0.41 H new ATOM 0 HA ARG A 70 8.570 -5.566 2.097 1.00 32.42 H new ATOM 0 HB2 ARG A 70 9.823 -4.556 3.676 1.00 51.52 H new ATOM 0 HB3 ARG A 70 8.350 -3.635 3.908 1.00 51.52 H new ATOM 0 HG2 ARG A 70 7.796 -4.873 5.926 1.00 21.22 H new ATOM 0 HG3 ARG A 70 9.076 -6.036 5.637 1.00 21.22 H new ATOM 0 HD2 ARG A 70 9.783 -4.460 7.364 1.00 62.25 H new ATOM 0 HD3 ARG A 70 10.782 -4.251 5.940 1.00 62.25 H new ATOM 0 HE ARG A 70 8.439 -2.445 6.409 1.00 40.52 H new ATOM 0 HH11 ARG A 70 11.944 -2.876 5.956 1.00 51.42 H new ATOM 0 HH12 ARG A 70 12.242 -1.140 5.819 1.00 51.42 H new ATOM 0 HH21 ARG A 70 8.845 -0.258 6.216 1.00 44.13 H new ATOM 0 HH22 ARG A 70 10.490 0.335 5.966 1.00 44.13 H new ATOM 1214 N GLU A 71 7.042 -7.358 4.427 1.00 4.05 N ATOM 1215 CA GLU A 71 6.880 -8.698 5.018 1.00 42.33 C ATOM 1216 C GLU A 71 6.722 -9.761 3.922 1.00 43.35 C ATOM 1217 O GLU A 71 7.239 -10.873 4.050 1.00 62.34 O ATOM 1218 CB GLU A 71 5.660 -8.725 5.978 1.00 11.13 C ATOM 1219 CG GLU A 71 5.827 -7.838 7.223 1.00 24.14 C ATOM 1220 CD GLU A 71 4.602 -7.860 8.144 1.00 33.10 C ATOM 1221 OE1 GLU A 71 3.762 -6.938 8.069 1.00 35.31 O ATOM 1222 OE2 GLU A 71 4.463 -8.819 8.939 1.00 32.02 O ATOM 0 H GLU A 71 6.325 -6.694 4.719 1.00 4.05 H new ATOM 0 HA GLU A 71 7.778 -8.928 5.591 1.00 42.33 H new ATOM 0 HB2 GLU A 71 4.773 -8.404 5.432 1.00 11.13 H new ATOM 0 HB3 GLU A 71 5.484 -9.752 6.297 1.00 11.13 H new ATOM 0 HG2 GLU A 71 6.702 -8.169 7.783 1.00 24.14 H new ATOM 0 HG3 GLU A 71 6.019 -6.812 6.908 1.00 24.14 H new ATOM 1229 N LYS A 72 6.042 -9.381 2.824 1.00 24.45 N ATOM 1230 CA LYS A 72 5.671 -10.318 1.754 1.00 35.42 C ATOM 1231 C LYS A 72 6.832 -10.507 0.762 1.00 54.30 C ATOM 1232 O LYS A 72 7.156 -11.640 0.375 1.00 5.03 O ATOM 1233 CB LYS A 72 4.362 -9.863 1.035 1.00 45.35 C ATOM 1234 CG LYS A 72 3.146 -9.608 1.975 1.00 10.43 C ATOM 1235 CD LYS A 72 3.104 -10.569 3.191 1.00 43.11 C ATOM 1236 CE LYS A 72 1.800 -10.479 3.988 1.00 14.34 C ATOM 1237 NZ LYS A 72 0.679 -11.108 3.256 1.00 74.14 N ATOM 0 H LYS A 72 5.737 -8.422 2.657 1.00 24.45 H new ATOM 0 HA LYS A 72 5.468 -11.288 2.208 1.00 35.42 H new ATOM 0 HB2 LYS A 72 4.570 -8.949 0.480 1.00 45.35 H new ATOM 0 HB3 LYS A 72 4.084 -10.623 0.305 1.00 45.35 H new ATOM 0 HG2 LYS A 72 3.181 -8.579 2.334 1.00 10.43 H new ATOM 0 HG3 LYS A 72 2.224 -9.715 1.403 1.00 10.43 H new ATOM 0 HD2 LYS A 72 3.238 -11.593 2.841 1.00 43.11 H new ATOM 0 HD3 LYS A 72 3.942 -10.345 3.851 1.00 43.11 H new ATOM 0 HE2 LYS A 72 1.927 -10.968 4.954 1.00 14.34 H new ATOM 0 HE3 LYS A 72 1.565 -9.434 4.189 1.00 14.34 H new ATOM 0 HZ1 LYS A 72 -0.223 -10.817 3.685 1.00 74.14 H new ATOM 0 HZ2 LYS A 72 0.702 -10.807 2.261 1.00 74.14 H new ATOM 0 HZ3 LYS A 72 0.768 -12.143 3.307 1.00 74.14 H new ATOM 1251 N ILE A 73 7.479 -9.395 0.367 1.00 60.33 N ATOM 1252 CA ILE A 73 8.589 -9.436 -0.608 1.00 31.45 C ATOM 1253 C ILE A 73 9.846 -10.090 0.014 1.00 13.13 C ATOM 1254 O ILE A 73 10.673 -10.644 -0.705 1.00 33.13 O ATOM 1255 CB ILE A 73 8.945 -8.007 -1.189 1.00 4.31 C ATOM 1256 CG1 ILE A 73 9.558 -7.072 -0.100 1.00 53.33 C ATOM 1257 CG2 ILE A 73 7.702 -7.347 -1.839 1.00 12.12 C ATOM 1258 CD1 ILE A 73 10.036 -5.717 -0.608 1.00 0.13 C ATOM 0 H ILE A 73 7.255 -8.459 0.706 1.00 60.33 H new ATOM 0 HA ILE A 73 8.245 -10.046 -1.443 1.00 31.45 H new ATOM 0 HB ILE A 73 9.702 -8.153 -1.960 1.00 4.31 H new ATOM 0 HG12 ILE A 73 8.813 -6.909 0.678 1.00 53.33 H new ATOM 0 HG13 ILE A 73 10.399 -7.585 0.366 1.00 53.33 H new ATOM 0 HG21 ILE A 73 7.973 -6.367 -2.230 1.00 12.12 H new ATOM 0 HG22 ILE A 73 7.340 -7.975 -2.653 1.00 12.12 H new ATOM 0 HG23 ILE A 73 6.917 -7.235 -1.091 1.00 12.12 H new ATOM 0 HD11 ILE A 73 10.445 -5.141 0.222 1.00 0.13 H new ATOM 0 HD12 ILE A 73 10.808 -5.863 -1.363 1.00 0.13 H new ATOM 0 HD13 ILE A 73 9.197 -5.176 -1.046 1.00 0.13 H new ATOM 1270 N GLU A 74 9.977 -9.992 1.354 1.00 11.52 N ATOM 1271 CA GLU A 74 11.105 -10.580 2.101 1.00 70.34 C ATOM 1272 C GLU A 74 10.828 -12.039 2.520 1.00 13.34 C ATOM 1273 O GLU A 74 11.776 -12.828 2.622 1.00 35.11 O ATOM 1274 CB GLU A 74 11.486 -9.685 3.315 1.00 51.31 C ATOM 1275 CG GLU A 74 11.992 -8.278 2.906 1.00 5.35 C ATOM 1276 CD GLU A 74 12.450 -7.419 4.093 1.00 71.45 C ATOM 1277 OE1 GLU A 74 13.630 -7.499 4.479 1.00 52.01 O ATOM 1278 OE2 GLU A 74 11.634 -6.663 4.652 1.00 74.22 O ATOM 0 H GLU A 74 9.305 -9.504 1.946 1.00 11.52 H new ATOM 0 HA GLU A 74 11.964 -10.615 1.431 1.00 70.34 H new ATOM 0 HB2 GLU A 74 10.617 -9.576 3.964 1.00 51.31 H new ATOM 0 HB3 GLU A 74 12.259 -10.186 3.898 1.00 51.31 H new ATOM 0 HG2 GLU A 74 12.821 -8.389 2.207 1.00 5.35 H new ATOM 0 HG3 GLU A 74 11.196 -7.755 2.376 1.00 5.35 H new ATOM 1285 N ARG A 75 9.540 -12.422 2.763 1.00 50.34 N ATOM 1286 CA ARG A 75 9.202 -13.849 3.049 1.00 41.10 C ATOM 1287 C ARG A 75 9.417 -14.698 1.783 1.00 3.13 C ATOM 1288 O ARG A 75 9.833 -15.860 1.863 1.00 61.00 O ATOM 1289 CB ARG A 75 7.748 -14.058 3.586 1.00 53.42 C ATOM 1290 CG ARG A 75 6.624 -13.776 2.572 1.00 71.05 C ATOM 1291 CD ARG A 75 5.211 -14.104 3.078 1.00 23.12 C ATOM 1292 NE ARG A 75 4.959 -15.558 3.165 1.00 15.13 N ATOM 1293 CZ ARG A 75 4.075 -16.245 2.404 1.00 11.23 C ATOM 1294 NH1 ARG A 75 3.327 -15.627 1.481 1.00 73.23 N ATOM 1295 NH2 ARG A 75 3.951 -17.551 2.570 1.00 52.05 N ATOM 0 H ARG A 75 8.743 -11.786 2.767 1.00 50.34 H new ATOM 0 HA ARG A 75 9.872 -14.170 3.846 1.00 41.10 H new ATOM 0 HB2 ARG A 75 7.651 -15.087 3.934 1.00 53.42 H new ATOM 0 HB3 ARG A 75 7.603 -13.414 4.453 1.00 53.42 H new ATOM 0 HG2 ARG A 75 6.660 -12.723 2.292 1.00 71.05 H new ATOM 0 HG3 ARG A 75 6.815 -14.353 1.667 1.00 71.05 H new ATOM 0 HD2 ARG A 75 5.068 -13.655 4.061 1.00 23.12 H new ATOM 0 HD3 ARG A 75 4.477 -13.651 2.412 1.00 23.12 H new ATOM 0 HE ARG A 75 5.494 -16.086 3.854 1.00 15.13 H new ATOM 0 HH11 ARG A 75 3.418 -14.621 1.341 1.00 73.23 H new ATOM 0 HH12 ARG A 75 2.667 -16.163 0.918 1.00 73.23 H new ATOM 0 HH21 ARG A 75 4.519 -18.033 3.267 1.00 52.05 H new ATOM 0 HH22 ARG A 75 3.287 -18.077 2.001 1.00 52.05 H new ATOM 1309 N GLU A 76 9.121 -14.102 0.610 1.00 33.22 N ATOM 1310 CA GLU A 76 9.321 -14.755 -0.682 1.00 13.30 C ATOM 1311 C GLU A 76 10.759 -14.508 -1.164 1.00 73.40 C ATOM 1312 O GLU A 76 11.622 -15.385 -1.037 1.00 3.01 O ATOM 1313 CB GLU A 76 8.264 -14.252 -1.708 1.00 1.31 C ATOM 1314 CG GLU A 76 8.247 -15.029 -3.037 1.00 52.43 C ATOM 1315 CD GLU A 76 7.872 -16.516 -2.866 1.00 54.42 C ATOM 1316 OE1 GLU A 76 6.664 -16.826 -2.805 1.00 5.03 O ATOM 1317 OE2 GLU A 76 8.777 -17.369 -2.789 1.00 13.52 O ATOM 0 H GLU A 76 8.739 -13.159 0.541 1.00 33.22 H new ATOM 0 HA GLU A 76 9.182 -15.831 -0.579 1.00 13.30 H new ATOM 0 HB2 GLU A 76 7.276 -14.314 -1.253 1.00 1.31 H new ATOM 0 HB3 GLU A 76 8.453 -13.199 -1.919 1.00 1.31 H new ATOM 0 HG2 GLU A 76 7.537 -14.558 -3.717 1.00 52.43 H new ATOM 0 HG3 GLU A 76 9.230 -14.960 -3.504 1.00 52.43 H new ATOM 1324 N GLY A 77 11.026 -13.287 -1.655 1.00 25.22 N ATOM 1325 CA GLY A 77 12.325 -12.928 -2.232 1.00 52.53 C ATOM 1326 C GLY A 77 12.266 -12.777 -3.745 1.00 41.15 C ATOM 1327 O GLY A 77 13.145 -12.140 -4.328 1.00 53.32 O ATOM 0 H GLY A 77 10.348 -12.525 -1.662 1.00 25.22 H new ATOM 0 HA2 GLY A 77 12.670 -11.994 -1.790 1.00 52.53 H new ATOM 0 HA3 GLY A 77 13.058 -13.693 -1.974 1.00 52.53 H new ATOM 1331 N SER A 78 11.230 -13.384 -4.374 1.00 22.22 N ATOM 1332 CA SER A 78 11.011 -13.321 -5.833 1.00 41.52 C ATOM 1333 C SER A 78 10.774 -11.876 -6.304 1.00 10.33 C ATOM 1334 O SER A 78 10.126 -11.078 -5.613 1.00 22.43 O ATOM 1335 CB SER A 78 9.807 -14.208 -6.245 1.00 32.40 C ATOM 1336 OG SER A 78 10.024 -15.567 -5.911 1.00 24.33 O ATOM 0 H SER A 78 10.524 -13.930 -3.880 1.00 22.22 H new ATOM 0 HA SER A 78 11.914 -13.696 -6.314 1.00 41.52 H new ATOM 0 HB2 SER A 78 8.904 -13.850 -5.750 1.00 32.40 H new ATOM 0 HB3 SER A 78 9.639 -14.119 -7.318 1.00 32.40 H new ATOM 0 HG SER A 78 9.550 -16.140 -6.549 1.00 24.33 H new ATOM 1342 N SER A 79 11.295 -11.572 -7.500 1.00 53.34 N ATOM 1343 CA SER A 79 11.105 -10.280 -8.176 1.00 12.05 C ATOM 1344 C SER A 79 9.693 -10.181 -8.811 1.00 31.52 C ATOM 1345 O SER A 79 9.310 -9.131 -9.338 1.00 13.03 O ATOM 1346 CB SER A 79 12.214 -10.110 -9.240 1.00 73.04 C ATOM 1347 OG SER A 79 13.505 -10.285 -8.666 1.00 70.52 O ATOM 0 H SER A 79 11.869 -12.225 -8.033 1.00 53.34 H new ATOM 0 HA SER A 79 11.178 -9.474 -7.446 1.00 12.05 H new ATOM 0 HB2 SER A 79 12.068 -10.834 -10.041 1.00 73.04 H new ATOM 0 HB3 SER A 79 12.143 -9.119 -9.689 1.00 73.04 H new ATOM 0 HG SER A 79 14.189 -10.174 -9.359 1.00 70.52 H new ATOM 1353 N GLU A 80 8.945 -11.302 -8.752 1.00 22.25 N ATOM 1354 CA GLU A 80 7.568 -11.419 -9.238 1.00 72.34 C ATOM 1355 C GLU A 80 6.604 -10.791 -8.210 1.00 44.45 C ATOM 1356 O GLU A 80 5.965 -11.490 -7.414 1.00 10.22 O ATOM 1357 CB GLU A 80 7.229 -12.920 -9.509 1.00 51.15 C ATOM 1358 CG GLU A 80 7.966 -13.574 -10.713 1.00 74.01 C ATOM 1359 CD GLU A 80 9.508 -13.527 -10.641 1.00 21.45 C ATOM 1360 OE1 GLU A 80 10.092 -14.087 -9.693 1.00 31.01 O ATOM 1361 OE2 GLU A 80 10.145 -12.924 -11.533 1.00 3.23 O ATOM 0 H GLU A 80 9.299 -12.171 -8.352 1.00 22.25 H new ATOM 0 HA GLU A 80 7.456 -10.879 -10.178 1.00 72.34 H new ATOM 0 HB2 GLU A 80 7.460 -13.493 -8.611 1.00 51.15 H new ATOM 0 HB3 GLU A 80 6.155 -13.006 -9.674 1.00 51.15 H new ATOM 0 HG2 GLU A 80 7.653 -14.615 -10.789 1.00 74.01 H new ATOM 0 HG3 GLU A 80 7.645 -13.077 -11.629 1.00 74.01 H new ATOM 1368 N VAL A 81 6.558 -9.445 -8.213 1.00 52.04 N ATOM 1369 CA VAL A 81 5.722 -8.652 -7.301 1.00 62.54 C ATOM 1370 C VAL A 81 5.094 -7.450 -8.045 1.00 1.22 C ATOM 1371 O VAL A 81 5.759 -6.748 -8.825 1.00 11.12 O ATOM 1372 CB VAL A 81 6.533 -8.174 -6.025 1.00 2.21 C ATOM 1373 CG1 VAL A 81 7.856 -7.476 -6.399 1.00 75.23 C ATOM 1374 CG2 VAL A 81 5.671 -7.276 -5.093 1.00 33.20 C ATOM 0 H VAL A 81 7.107 -8.875 -8.856 1.00 52.04 H new ATOM 0 HA VAL A 81 4.917 -9.295 -6.946 1.00 62.54 H new ATOM 0 HB VAL A 81 6.790 -9.076 -5.470 1.00 2.21 H new ATOM 0 HG11 VAL A 81 8.374 -7.168 -5.491 1.00 75.23 H new ATOM 0 HG12 VAL A 81 8.486 -8.167 -6.959 1.00 75.23 H new ATOM 0 HG13 VAL A 81 7.644 -6.600 -7.012 1.00 75.23 H new ATOM 0 HG21 VAL A 81 6.265 -6.971 -4.231 1.00 33.20 H new ATOM 0 HG22 VAL A 81 5.344 -6.392 -5.640 1.00 33.20 H new ATOM 0 HG23 VAL A 81 4.799 -7.835 -4.753 1.00 33.20 H new ATOM 1384 N GLU A 82 3.790 -7.276 -7.809 1.00 71.42 N ATOM 1385 CA GLU A 82 2.989 -6.138 -8.248 1.00 44.32 C ATOM 1386 C GLU A 82 2.243 -5.590 -7.024 1.00 43.10 C ATOM 1387 O GLU A 82 1.522 -6.331 -6.352 1.00 11.23 O ATOM 1388 CB GLU A 82 1.980 -6.580 -9.332 1.00 43.12 C ATOM 1389 CG GLU A 82 1.002 -5.474 -9.783 1.00 71.24 C ATOM 1390 CD GLU A 82 -0.107 -5.990 -10.710 1.00 0.01 C ATOM 1391 OE1 GLU A 82 -1.038 -6.651 -10.211 1.00 23.54 O ATOM 1392 OE2 GLU A 82 -0.067 -5.735 -11.926 1.00 21.21 O ATOM 0 H GLU A 82 3.243 -7.957 -7.283 1.00 71.42 H new ATOM 0 HA GLU A 82 3.630 -5.369 -8.679 1.00 44.32 H new ATOM 0 HB2 GLU A 82 2.532 -6.936 -10.202 1.00 43.12 H new ATOM 0 HB3 GLU A 82 1.404 -7.424 -8.952 1.00 43.12 H new ATOM 0 HG2 GLU A 82 0.548 -5.018 -8.903 1.00 71.24 H new ATOM 0 HG3 GLU A 82 1.560 -4.691 -10.296 1.00 71.24 H new ATOM 1399 N VAL A 83 2.414 -4.302 -6.723 1.00 40.41 N ATOM 1400 CA VAL A 83 1.752 -3.658 -5.582 1.00 45.15 C ATOM 1401 C VAL A 83 0.517 -2.901 -6.088 1.00 12.35 C ATOM 1402 O VAL A 83 0.626 -2.032 -6.944 1.00 41.12 O ATOM 1403 CB VAL A 83 2.719 -2.673 -4.838 1.00 12.10 C ATOM 1404 CG1 VAL A 83 2.027 -2.070 -3.604 1.00 25.52 C ATOM 1405 CG2 VAL A 83 4.046 -3.368 -4.453 1.00 15.13 C ATOM 0 H VAL A 83 3.013 -3.675 -7.260 1.00 40.41 H new ATOM 0 HA VAL A 83 1.456 -4.428 -4.869 1.00 45.15 H new ATOM 0 HB VAL A 83 2.966 -1.861 -5.522 1.00 12.10 H new ATOM 0 HG11 VAL A 83 2.712 -1.389 -3.099 1.00 25.52 H new ATOM 0 HG12 VAL A 83 1.137 -1.524 -3.917 1.00 25.52 H new ATOM 0 HG13 VAL A 83 1.741 -2.869 -2.920 1.00 25.52 H new ATOM 0 HG21 VAL A 83 4.693 -2.657 -3.939 1.00 15.13 H new ATOM 0 HG22 VAL A 83 3.837 -4.211 -3.794 1.00 15.13 H new ATOM 0 HG23 VAL A 83 4.544 -3.726 -5.354 1.00 15.13 H new ATOM 1415 N ASN A 84 -0.659 -3.268 -5.579 1.00 43.34 N ATOM 1416 CA ASN A 84 -1.932 -2.608 -5.928 1.00 74.02 C ATOM 1417 C ASN A 84 -2.345 -1.681 -4.783 1.00 22.20 C ATOM 1418 O ASN A 84 -2.044 -1.958 -3.621 1.00 13.32 O ATOM 1419 CB ASN A 84 -3.066 -3.643 -6.194 1.00 65.24 C ATOM 1420 CG ASN A 84 -2.837 -4.584 -7.383 1.00 5.05 C ATOM 1421 OD1 ASN A 84 -3.772 -4.885 -8.130 1.00 53.53 O ATOM 1422 ND2 ASN A 84 -1.624 -5.108 -7.551 1.00 33.22 N ATOM 0 H ASN A 84 -0.764 -4.032 -4.911 1.00 43.34 H new ATOM 0 HA ASN A 84 -1.780 -2.039 -6.845 1.00 74.02 H new ATOM 0 HB2 ASN A 84 -3.201 -4.247 -5.296 1.00 65.24 H new ATOM 0 HB3 ASN A 84 -3.998 -3.101 -6.356 1.00 65.24 H new ATOM 0 HD21 ASN A 84 -1.455 -5.771 -8.308 1.00 33.22 H new ATOM 0 HD22 ASN A 84 -0.864 -4.847 -6.923 1.00 33.22 H new ATOM 1429 N VAL A 85 -2.991 -0.565 -5.125 1.00 33.50 N ATOM 1430 CA VAL A 85 -3.657 0.331 -4.161 1.00 33.13 C ATOM 1431 C VAL A 85 -5.055 0.632 -4.721 1.00 61.21 C ATOM 1432 O VAL A 85 -5.211 0.746 -5.936 1.00 54.14 O ATOM 1433 CB VAL A 85 -2.872 1.682 -3.924 1.00 42.34 C ATOM 1434 CG1 VAL A 85 -3.554 2.547 -2.830 1.00 14.12 C ATOM 1435 CG2 VAL A 85 -1.388 1.431 -3.579 1.00 23.14 C ATOM 0 H VAL A 85 -3.071 -0.248 -6.091 1.00 33.50 H new ATOM 0 HA VAL A 85 -3.699 -0.164 -3.191 1.00 33.13 H new ATOM 0 HB VAL A 85 -2.902 2.237 -4.862 1.00 42.34 H new ATOM 0 HG11 VAL A 85 -2.990 3.469 -2.691 1.00 14.12 H new ATOM 0 HG12 VAL A 85 -4.572 2.787 -3.138 1.00 14.12 H new ATOM 0 HG13 VAL A 85 -3.580 1.993 -1.892 1.00 14.12 H new ATOM 0 HG21 VAL A 85 -0.884 2.385 -3.424 1.00 23.14 H new ATOM 0 HG22 VAL A 85 -1.322 0.833 -2.670 1.00 23.14 H new ATOM 0 HG23 VAL A 85 -0.909 0.897 -4.400 1.00 23.14 H new ATOM 1445 N HIS A 86 -6.064 0.721 -3.849 1.00 30.33 N ATOM 1446 CA HIS A 86 -7.461 0.956 -4.240 1.00 61.24 C ATOM 1447 C HIS A 86 -8.051 2.007 -3.283 1.00 43.31 C ATOM 1448 O HIS A 86 -7.878 1.883 -2.067 1.00 74.41 O ATOM 1449 CB HIS A 86 -8.307 -0.354 -4.144 1.00 43.13 C ATOM 1450 CG HIS A 86 -7.713 -1.606 -4.769 1.00 32.35 C ATOM 1451 ND1 HIS A 86 -8.104 -2.100 -5.995 1.00 24.21 N ATOM 1452 CD2 HIS A 86 -6.804 -2.501 -4.291 1.00 15.20 C ATOM 1453 CE1 HIS A 86 -7.469 -3.233 -6.235 1.00 32.34 C ATOM 1454 NE2 HIS A 86 -6.676 -3.501 -5.221 1.00 53.23 N ATOM 0 H HIS A 86 -5.935 0.631 -2.841 1.00 30.33 H new ATOM 0 HA HIS A 86 -7.489 1.300 -5.274 1.00 61.24 H new ATOM 0 HB2 HIS A 86 -8.496 -0.559 -3.090 1.00 43.13 H new ATOM 0 HB3 HIS A 86 -9.274 -0.168 -4.611 1.00 43.13 H new ATOM 0 HD2 HIS A 86 -6.279 -2.435 -3.350 1.00 15.20 H new ATOM 0 HE1 HIS A 86 -7.583 -3.841 -7.121 1.00 32.34 H new ATOM 0 HE2 HIS A 86 -6.068 -4.316 -5.140 1.00 53.23 H new ATOM 1463 N SER A 87 -8.706 3.041 -3.822 1.00 24.22 N ATOM 1464 CA SER A 87 -9.474 4.011 -3.014 1.00 43.43 C ATOM 1465 C SER A 87 -10.496 4.729 -3.906 1.00 44.53 C ATOM 1466 O SER A 87 -10.162 5.134 -5.031 1.00 0.11 O ATOM 1467 CB SER A 87 -8.542 5.034 -2.316 1.00 4.34 C ATOM 1468 OG SER A 87 -7.755 5.744 -3.255 1.00 20.34 O ATOM 0 H SER A 87 -8.723 3.234 -4.824 1.00 24.22 H new ATOM 0 HA SER A 87 -10.000 3.466 -2.230 1.00 43.43 H new ATOM 0 HB2 SER A 87 -9.141 5.737 -1.736 1.00 4.34 H new ATOM 0 HB3 SER A 87 -7.891 4.514 -1.613 1.00 4.34 H new ATOM 0 HG SER A 87 -6.819 5.465 -3.175 1.00 20.34 H new ATOM 1474 N GLY A 88 -11.736 4.881 -3.392 1.00 13.42 N ATOM 1475 CA GLY A 88 -12.828 5.527 -4.125 1.00 11.35 C ATOM 1476 C GLY A 88 -13.316 4.680 -5.306 1.00 53.54 C ATOM 1477 O GLY A 88 -14.247 3.881 -5.167 1.00 44.01 O ATOM 0 H GLY A 88 -12.000 4.558 -2.461 1.00 13.42 H new ATOM 0 HA2 GLY A 88 -13.660 5.712 -3.445 1.00 11.35 H new ATOM 0 HA3 GLY A 88 -12.493 6.498 -4.491 1.00 11.35 H new ATOM 1481 N GLY A 89 -12.678 4.873 -6.466 1.00 71.03 N ATOM 1482 CA GLY A 89 -12.903 4.039 -7.656 1.00 31.45 C ATOM 1483 C GLY A 89 -11.640 3.902 -8.495 1.00 0.54 C ATOM 1484 O GLY A 89 -11.683 3.391 -9.616 1.00 52.44 O ATOM 0 H GLY A 89 -11.990 5.612 -6.608 1.00 71.03 H new ATOM 0 HA2 GLY A 89 -13.244 3.051 -7.348 1.00 31.45 H new ATOM 0 HA3 GLY A 89 -13.697 4.476 -8.262 1.00 31.45 H new ATOM 1488 N GLN A 90 -10.510 4.377 -7.939 1.00 74.40 N ATOM 1489 CA GLN A 90 -9.197 4.371 -8.603 1.00 71.53 C ATOM 1490 C GLN A 90 -8.376 3.171 -8.100 1.00 13.32 C ATOM 1491 O GLN A 90 -8.492 2.777 -6.932 1.00 41.21 O ATOM 1492 CB GLN A 90 -8.409 5.685 -8.312 1.00 1.34 C ATOM 1493 CG GLN A 90 -9.038 7.004 -8.818 1.00 51.34 C ATOM 1494 CD GLN A 90 -10.299 7.433 -8.066 1.00 52.33 C ATOM 1495 OE1 GLN A 90 -11.421 7.110 -8.458 1.00 54.32 O ATOM 1496 NE2 GLN A 90 -10.125 8.154 -6.967 1.00 24.31 N ATOM 0 H GLN A 90 -10.485 4.781 -7.003 1.00 74.40 H new ATOM 0 HA GLN A 90 -9.360 4.297 -9.678 1.00 71.53 H new ATOM 0 HB2 GLN A 90 -8.271 5.766 -7.234 1.00 1.34 H new ATOM 0 HB3 GLN A 90 -7.417 5.591 -8.754 1.00 1.34 H new ATOM 0 HG2 GLN A 90 -8.296 7.799 -8.741 1.00 51.34 H new ATOM 0 HG3 GLN A 90 -9.280 6.895 -9.875 1.00 51.34 H new ATOM 0 HE21 GLN A 90 -9.184 8.407 -6.667 1.00 24.31 H new ATOM 0 HE22 GLN A 90 -10.933 8.456 -6.422 1.00 24.31 H new ATOM 1505 N THR A 91 -7.550 2.603 -8.991 1.00 43.31 N ATOM 1506 CA THR A 91 -6.629 1.504 -8.663 1.00 53.34 C ATOM 1507 C THR A 91 -5.269 1.736 -9.337 1.00 72.42 C ATOM 1508 O THR A 91 -5.178 1.882 -10.559 1.00 55.31 O ATOM 1509 CB THR A 91 -7.213 0.117 -9.080 1.00 63.32 C ATOM 1510 OG1 THR A 91 -8.433 -0.126 -8.348 1.00 23.03 O ATOM 1511 CG2 THR A 91 -6.225 -1.047 -8.832 1.00 0.24 C ATOM 0 H THR A 91 -7.502 2.895 -9.967 1.00 43.31 H new ATOM 0 HA THR A 91 -6.496 1.492 -7.581 1.00 53.34 H new ATOM 0 HB THR A 91 -7.405 0.155 -10.152 1.00 63.32 H new ATOM 0 HG1 THR A 91 -8.258 -0.759 -7.621 1.00 23.03 H new ATOM 0 HG21 THR A 91 -6.684 -1.986 -9.140 1.00 0.24 H new ATOM 0 HG22 THR A 91 -5.315 -0.881 -9.409 1.00 0.24 H new ATOM 0 HG23 THR A 91 -5.978 -1.095 -7.771 1.00 0.24 H new ATOM 1519 N TRP A 92 -4.221 1.783 -8.513 1.00 72.50 N ATOM 1520 CA TRP A 92 -2.830 1.956 -8.944 1.00 41.25 C ATOM 1521 C TRP A 92 -2.117 0.603 -8.872 1.00 63.52 C ATOM 1522 O TRP A 92 -2.419 -0.205 -7.992 1.00 44.23 O ATOM 1523 CB TRP A 92 -2.130 2.980 -8.018 1.00 54.32 C ATOM 1524 CG TRP A 92 -2.815 4.334 -7.979 1.00 13.53 C ATOM 1525 CD1 TRP A 92 -2.528 5.429 -8.747 1.00 42.20 C ATOM 1526 CD2 TRP A 92 -3.913 4.724 -7.129 1.00 44.33 C ATOM 1527 NE1 TRP A 92 -3.369 6.465 -8.421 1.00 53.04 N ATOM 1528 CE2 TRP A 92 -4.224 6.058 -7.433 1.00 3.52 C ATOM 1529 CE3 TRP A 92 -4.662 4.068 -6.145 1.00 22.32 C ATOM 1530 CZ2 TRP A 92 -5.236 6.755 -6.780 1.00 10.21 C ATOM 1531 CZ3 TRP A 92 -5.664 4.756 -5.498 1.00 2.42 C ATOM 1532 CH2 TRP A 92 -5.947 6.089 -5.820 1.00 24.40 C ATOM 0 H TRP A 92 -4.317 1.700 -7.501 1.00 72.50 H new ATOM 0 HA TRP A 92 -2.797 2.327 -9.968 1.00 41.25 H new ATOM 0 HB2 TRP A 92 -2.089 2.574 -7.007 1.00 54.32 H new ATOM 0 HB3 TRP A 92 -1.100 3.113 -8.350 1.00 54.32 H new ATOM 0 HD1 TRP A 92 -1.754 5.473 -9.499 1.00 42.20 H new ATOM 0 HE1 TRP A 92 -3.358 7.391 -8.848 1.00 53.04 H new ATOM 0 HE3 TRP A 92 -4.457 3.037 -5.897 1.00 22.32 H new ATOM 0 HZ2 TRP A 92 -5.452 7.785 -7.023 1.00 10.21 H new ATOM 0 HZ3 TRP A 92 -6.240 4.260 -4.731 1.00 2.42 H new ATOM 0 HH2 TRP A 92 -6.743 6.602 -5.300 1.00 24.40 H new ATOM 1543 N THR A 93 -1.188 0.354 -9.798 1.00 72.31 N ATOM 1544 CA THR A 93 -0.356 -0.866 -9.802 1.00 10.34 C ATOM 1545 C THR A 93 1.116 -0.493 -10.025 1.00 71.14 C ATOM 1546 O THR A 93 1.419 0.405 -10.818 1.00 22.34 O ATOM 1547 CB THR A 93 -0.826 -1.885 -10.900 1.00 31.34 C ATOM 1548 OG1 THR A 93 -1.069 -1.199 -12.134 1.00 33.51 O ATOM 1549 CG2 THR A 93 -2.093 -2.654 -10.482 1.00 41.45 C ATOM 0 H THR A 93 -0.986 0.989 -10.570 1.00 72.31 H new ATOM 0 HA THR A 93 -0.467 -1.350 -8.832 1.00 10.34 H new ATOM 0 HB THR A 93 -0.024 -2.612 -11.027 1.00 31.34 H new ATOM 0 HG1 THR A 93 -1.360 -1.842 -12.814 1.00 33.51 H new ATOM 0 HG21 THR A 93 -2.377 -3.346 -11.275 1.00 41.45 H new ATOM 0 HG22 THR A 93 -1.894 -3.213 -9.567 1.00 41.45 H new ATOM 0 HG23 THR A 93 -2.906 -1.949 -10.307 1.00 41.45 H new ATOM 1557 N PHE A 94 2.012 -1.173 -9.294 1.00 74.22 N ATOM 1558 CA PHE A 94 3.465 -0.989 -9.394 1.00 71.54 C ATOM 1559 C PHE A 94 4.067 -2.349 -9.756 1.00 51.14 C ATOM 1560 O PHE A 94 4.133 -3.241 -8.909 1.00 24.31 O ATOM 1561 CB PHE A 94 4.045 -0.489 -8.030 1.00 64.11 C ATOM 1562 CG PHE A 94 3.374 0.765 -7.452 1.00 73.03 C ATOM 1563 CD1 PHE A 94 2.227 0.665 -6.658 1.00 61.10 C ATOM 1564 CD2 PHE A 94 3.888 2.038 -7.694 1.00 42.34 C ATOM 1565 CE1 PHE A 94 1.624 1.787 -6.130 1.00 74.34 C ATOM 1566 CE2 PHE A 94 3.287 3.159 -7.160 1.00 44.33 C ATOM 1567 CZ PHE A 94 2.153 3.032 -6.381 1.00 44.45 C ATOM 0 H PHE A 94 1.742 -1.877 -8.607 1.00 74.22 H new ATOM 0 HA PHE A 94 3.708 -0.243 -10.150 1.00 71.54 H new ATOM 0 HB2 PHE A 94 3.961 -1.295 -7.301 1.00 64.11 H new ATOM 0 HB3 PHE A 94 5.108 -0.286 -8.159 1.00 64.11 H new ATOM 0 HD1 PHE A 94 1.806 -0.309 -6.455 1.00 61.10 H new ATOM 0 HD2 PHE A 94 4.769 2.148 -8.308 1.00 42.34 H new ATOM 0 HE1 PHE A 94 0.738 1.689 -5.520 1.00 74.34 H new ATOM 0 HE2 PHE A 94 3.703 4.137 -7.351 1.00 44.33 H new ATOM 0 HZ PHE A 94 1.681 3.911 -5.968 1.00 44.45 H new ATOM 1577 N ASN A 95 4.473 -2.517 -11.021 1.00 20.13 N ATOM 1578 CA ASN A 95 5.031 -3.787 -11.524 1.00 62.23 C ATOM 1579 C ASN A 95 6.555 -3.694 -11.615 1.00 31.24 C ATOM 1580 O ASN A 95 7.091 -2.721 -12.160 1.00 61.52 O ATOM 1581 CB ASN A 95 4.458 -4.150 -12.927 1.00 4.02 C ATOM 1582 CG ASN A 95 2.968 -4.516 -12.940 1.00 75.43 C ATOM 1583 OD1 ASN A 95 2.574 -5.520 -13.531 1.00 31.23 O ATOM 1584 ND2 ASN A 95 2.119 -3.690 -12.348 1.00 75.02 N ATOM 0 H ASN A 95 4.426 -1.781 -11.726 1.00 20.13 H new ATOM 0 HA ASN A 95 4.746 -4.570 -10.821 1.00 62.23 H new ATOM 0 HB2 ASN A 95 4.616 -3.305 -13.598 1.00 4.02 H new ATOM 0 HB3 ASN A 95 5.027 -4.988 -13.330 1.00 4.02 H new ATOM 0 HD21 ASN A 95 1.117 -3.881 -12.377 1.00 75.02 H new ATOM 0 HD22 ASN A 95 2.467 -2.863 -11.863 1.00 75.02 H new