USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 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 61 SER OG : rot 113:sc= 0.0818 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.869 K(o=-0.79,f=-2.3!) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0.488 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.21 K(o=0.7,f=-0.6!) USER MOD Single : A 24 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-3.5!) USER MOD Single : A 26 ASN : amide:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 48 SER OG : rot -33:sc=-0.00545 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -132:sc= -0.149 (180deg=-3.05!) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc=-0.00215 (180deg=-1.05) USER MOD Single : A 55 CYS SG : rot -37:sc= 0.207 USER MOD Single : A 58 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.55) USER MOD Single : A 62 MET CE :methyl 178:sc= -0.403 (180deg=-0.414) USER MOD Single : A 72 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.8!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 85 MET CE :methyl 141:sc= -2.73 (180deg=-5.36!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.603 7.666 13.028 1.00 0.00 N ATOM 308 CA HIS A 24 6.952 6.906 11.967 1.00 0.00 C ATOM 309 C HIS A 24 7.794 5.697 11.570 1.00 0.00 C ATOM 310 O HIS A 24 8.881 5.482 12.108 1.00 0.00 O ATOM 311 CB HIS A 24 6.710 7.796 10.748 1.00 0.00 C ATOM 312 CG HIS A 24 5.656 8.838 10.967 1.00 0.00 C ATOM 313 ND1 HIS A 24 5.713 9.763 11.987 1.00 0.00 N ATOM 314 CD2 HIS A 24 4.514 9.098 10.288 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.651 10.547 11.928 1.00 0.00 C ATOM 316 NE2 HIS A 24 3.908 10.164 10.906 1.00 0.00 N ATOM 0 HA HIS A 24 5.993 6.551 12.344 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.644 8.287 10.476 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.421 7.171 9.903 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.459 9.832 12.680 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.148 8.566 9.422 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.429 11.362 12.601 1.00 0.00 H new ATOM 325 N ILE A 25 7.285 4.912 10.627 1.00 0.00 N ATOM 326 CA ILE A 25 7.990 3.725 10.159 1.00 0.00 C ATOM 327 C ILE A 25 7.975 3.642 8.636 1.00 0.00 C ATOM 328 O ILE A 25 6.994 4.016 7.994 1.00 0.00 O ATOM 329 CB ILE A 25 7.375 2.438 10.739 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.890 2.351 10.381 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.565 2.393 12.247 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.200 1.134 10.957 1.00 0.00 C ATOM 0 H ILE A 25 6.387 5.076 10.172 1.00 0.00 H new ATOM 0 HA ILE A 25 9.020 3.813 10.506 1.00 0.00 H new ATOM 0 HB ILE A 25 7.886 1.580 10.303 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.385 3.248 10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.786 2.338 9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.125 1.477 12.642 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.630 2.414 12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.077 3.255 12.701 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.150 1.138 10.663 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.680 0.231 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.272 1.155 12.044 1.00 0.00 H new ATOM 344 N ASN A 26 9.067 3.146 8.065 1.00 0.00 N ATOM 345 CA ASN A 26 9.179 3.012 6.617 1.00 0.00 C ATOM 346 C ASN A 26 9.167 1.543 6.205 1.00 0.00 C ATOM 347 O ASN A 26 10.086 0.789 6.527 1.00 0.00 O ATOM 348 CB ASN A 26 10.461 3.683 6.119 1.00 0.00 C ATOM 349 CG ASN A 26 10.438 5.187 6.311 1.00 0.00 C ATOM 350 OD1 ASN A 26 10.183 5.940 5.372 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.706 5.631 7.534 1.00 0.00 N ATOM 0 H ASN A 26 9.887 2.830 8.582 1.00 0.00 H new ATOM 0 HA ASN A 26 8.319 3.506 6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.316 3.265 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.599 3.456 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.706 6.633 7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.912 4.970 8.283 1.00 0.00 H new ATOM 358 N LEU A 27 8.122 1.143 5.489 1.00 0.00 N ATOM 359 CA LEU A 27 7.990 -0.236 5.031 1.00 0.00 C ATOM 360 C LEU A 27 8.262 -0.340 3.534 1.00 0.00 C ATOM 361 O LEU A 27 7.692 0.402 2.735 1.00 0.00 O ATOM 362 CB LEU A 27 6.590 -0.766 5.345 1.00 0.00 C ATOM 363 CG LEU A 27 5.916 -0.187 6.589 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.441 -0.556 6.618 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.614 -0.676 7.850 1.00 0.00 C ATOM 0 H LEU A 27 7.353 1.754 5.213 1.00 0.00 H new ATOM 0 HA LEU A 27 8.727 -0.841 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.949 -0.572 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.650 -1.848 5.460 1.00 0.00 H new ATOM 0 HG LEU A 27 5.997 0.899 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.978 -0.135 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.949 -0.157 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.338 -1.641 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.121 -0.254 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.564 -1.764 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.657 -0.361 7.834 1.00 0.00 H new ATOM 377 N LYS A 28 9.136 -1.269 3.160 1.00 0.00 N ATOM 378 CA LYS A 28 9.482 -1.475 1.759 1.00 0.00 C ATOM 379 C LYS A 28 8.595 -2.545 1.131 1.00 0.00 C ATOM 380 O LYS A 28 8.746 -3.734 1.411 1.00 0.00 O ATOM 381 CB LYS A 28 10.953 -1.876 1.630 1.00 0.00 C ATOM 382 CG LYS A 28 11.915 -0.706 1.737 1.00 0.00 C ATOM 383 CD LYS A 28 13.335 -1.174 2.007 1.00 0.00 C ATOM 384 CE LYS A 28 13.602 -1.315 3.498 1.00 0.00 C ATOM 385 NZ LYS A 28 15.010 -1.712 3.774 1.00 0.00 N ATOM 0 H LYS A 28 9.618 -1.891 3.809 1.00 0.00 H new ATOM 0 HA LYS A 28 9.320 -0.537 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.192 -2.604 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.103 -2.372 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.891 -0.128 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.592 -0.040 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.503 -2.131 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.041 -0.465 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.387 -0.370 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.926 -2.059 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.152 -1.798 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.208 -2.626 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.655 -0.990 3.395 1.00 0.00 H new ATOM 399 N VAL A 29 7.670 -2.114 0.279 1.00 0.00 N ATOM 400 CA VAL A 29 6.760 -3.036 -0.391 1.00 0.00 C ATOM 401 C VAL A 29 7.336 -3.506 -1.723 1.00 0.00 C ATOM 402 O VAL A 29 7.555 -2.707 -2.632 1.00 0.00 O ATOM 403 CB VAL A 29 5.386 -2.386 -0.640 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.401 -3.411 -1.181 1.00 0.00 C ATOM 405 CG2 VAL A 29 4.859 -1.751 0.638 1.00 0.00 C ATOM 0 H VAL A 29 7.531 -1.133 0.037 1.00 0.00 H new ATOM 0 HA VAL A 29 6.634 -3.893 0.270 1.00 0.00 H new ATOM 0 HB VAL A 29 5.504 -1.601 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.436 -2.934 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.776 -3.815 -2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.284 -4.219 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.887 -1.296 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.755 -2.515 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.556 -0.986 0.978 1.00 0.00 H new ATOM 415 N ALA A 30 7.579 -4.808 -1.829 1.00 0.00 N ATOM 416 CA ALA A 30 8.126 -5.386 -3.050 1.00 0.00 C ATOM 417 C ALA A 30 7.017 -5.903 -3.959 1.00 0.00 C ATOM 418 O ALA A 30 5.999 -6.407 -3.487 1.00 0.00 O ATOM 419 CB ALA A 30 9.100 -6.505 -2.714 1.00 0.00 C ATOM 0 H ALA A 30 7.406 -5.483 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 30 8.661 -4.601 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.501 -6.927 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.917 -6.108 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.581 -7.283 -2.154 1.00 0.00 H new ATOM 479 N VAL A 36 10.442 -1.575 -6.107 1.00 0.00 N ATOM 480 CA VAL A 36 10.331 -1.365 -4.669 1.00 0.00 C ATOM 481 C VAL A 36 9.594 -0.067 -4.358 1.00 0.00 C ATOM 482 O VAL A 36 9.976 1.004 -4.829 1.00 0.00 O ATOM 483 CB VAL A 36 11.718 -1.328 -3.998 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.615 -0.766 -2.589 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.339 -2.717 -3.984 1.00 0.00 C ATOM 0 HA VAL A 36 9.764 -2.206 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 36 12.366 -0.671 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.604 -0.748 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.215 0.247 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.952 -1.394 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.318 -2.673 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.695 -3.398 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.450 -3.076 -5.007 1.00 0.00 H new ATOM 495 N VAL A 37 8.535 -0.171 -3.561 1.00 0.00 N ATOM 496 CA VAL A 37 7.745 0.995 -3.185 1.00 0.00 C ATOM 497 C VAL A 37 7.713 1.173 -1.672 1.00 0.00 C ATOM 498 O VAL A 37 7.286 0.280 -0.941 1.00 0.00 O ATOM 499 CB VAL A 37 6.300 0.886 -3.709 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.578 2.217 -3.566 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.292 0.419 -5.157 1.00 0.00 C ATOM 0 H VAL A 37 8.205 -1.050 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 37 8.224 1.862 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 37 5.770 0.146 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.559 2.120 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.552 2.506 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.105 2.980 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.263 0.348 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.839 1.133 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.768 -0.559 -5.227 1.00 0.00 H new ATOM 511 N GLN A 38 8.167 2.333 -1.208 1.00 0.00 N ATOM 512 CA GLN A 38 8.191 2.628 0.220 1.00 0.00 C ATOM 513 C GLN A 38 6.947 3.407 0.635 1.00 0.00 C ATOM 514 O GLN A 38 6.251 3.979 -0.204 1.00 0.00 O ATOM 515 CB GLN A 38 9.448 3.423 0.577 1.00 0.00 C ATOM 516 CG GLN A 38 10.725 2.599 0.520 1.00 0.00 C ATOM 517 CD GLN A 38 11.948 3.440 0.211 1.00 0.00 C ATOM 518 OE1 GLN A 38 11.995 4.628 0.529 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.947 2.825 -0.412 1.00 0.00 N ATOM 0 H GLN A 38 8.523 3.084 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 38 8.203 1.682 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.540 4.268 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.335 3.834 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.869 2.092 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.620 1.825 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.865 1.838 -0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.796 3.340 -0.646 1.00 0.00 H new ATOM 528 N PHE A 39 6.674 3.425 1.936 1.00 0.00 N ATOM 529 CA PHE A 39 5.513 4.133 2.463 1.00 0.00 C ATOM 530 C PHE A 39 5.759 4.588 3.898 1.00 0.00 C ATOM 531 O PHE A 39 6.181 3.803 4.747 1.00 0.00 O ATOM 532 CB PHE A 39 4.274 3.238 2.405 1.00 0.00 C ATOM 533 CG PHE A 39 3.937 2.768 1.019 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.593 1.681 0.463 1.00 0.00 C ATOM 535 CD2 PHE A 39 2.965 3.413 0.271 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.285 1.247 -0.813 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.654 2.984 -1.005 1.00 0.00 C ATOM 538 CZ PHE A 39 3.314 1.899 -1.547 1.00 0.00 C ATOM 0 H PHE A 39 7.241 2.958 2.644 1.00 0.00 H new ATOM 0 HA PHE A 39 5.345 5.015 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.432 2.370 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.423 3.783 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.353 1.167 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.444 4.261 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.803 0.399 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.896 3.497 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.071 1.561 -2.544 1.00 0.00 H new ATOM 548 N LYS A 40 5.494 5.863 4.162 1.00 0.00 N ATOM 549 CA LYS A 40 5.685 6.426 5.493 1.00 0.00 C ATOM 550 C LYS A 40 4.350 6.585 6.214 1.00 0.00 C ATOM 551 O LYS A 40 3.482 7.340 5.772 1.00 0.00 O ATOM 552 CB LYS A 40 6.391 7.780 5.401 1.00 0.00 C ATOM 553 CG LYS A 40 6.614 8.443 6.749 1.00 0.00 C ATOM 554 CD LYS A 40 7.041 9.893 6.594 1.00 0.00 C ATOM 555 CE LYS A 40 7.278 10.552 7.944 1.00 0.00 C ATOM 556 NZ LYS A 40 8.642 10.268 8.468 1.00 0.00 N ATOM 0 H LYS A 40 5.146 6.527 3.470 1.00 0.00 H new ATOM 0 HA LYS A 40 6.307 5.737 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.354 7.645 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.801 8.446 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.697 8.394 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.377 7.896 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.953 9.943 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.274 10.443 6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.142 11.629 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.534 10.197 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.764 10.735 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.764 9.241 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.353 10.629 7.800 1.00 0.00 H new ATOM 570 N ILE A 41 4.192 5.871 7.323 1.00 0.00 N ATOM 571 CA ILE A 41 2.964 5.936 8.105 1.00 0.00 C ATOM 572 C ILE A 41 3.263 5.933 9.600 1.00 0.00 C ATOM 573 O ILE A 41 4.423 5.902 10.013 1.00 0.00 O ATOM 574 CB ILE A 41 2.026 4.760 7.778 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.602 3.452 8.326 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.805 4.659 6.276 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.733 2.246 8.048 1.00 0.00 C ATOM 0 H ILE A 41 4.899 5.240 7.700 1.00 0.00 H new ATOM 0 HA ILE A 41 2.469 6.870 7.838 1.00 0.00 H new ATOM 0 HB ILE A 41 1.063 4.940 8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.588 3.288 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.742 3.549 9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.140 3.823 6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.356 5.583 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.761 4.499 5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.203 1.355 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.755 2.389 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.614 2.124 6.971 1.00 0.00 H new ATOM 589 N LYS A 42 2.209 5.964 10.409 1.00 0.00 N ATOM 590 CA LYS A 42 2.357 5.962 11.859 1.00 0.00 C ATOM 591 C LYS A 42 2.134 4.563 12.427 1.00 0.00 C ATOM 592 O LYS A 42 1.684 3.661 11.720 1.00 0.00 O ATOM 593 CB LYS A 42 1.370 6.944 12.495 1.00 0.00 C ATOM 594 CG LYS A 42 1.364 8.312 11.835 1.00 0.00 C ATOM 595 CD LYS A 42 0.593 9.327 12.663 1.00 0.00 C ATOM 596 CE LYS A 42 1.404 9.801 13.859 1.00 0.00 C ATOM 597 NZ LYS A 42 0.823 11.028 14.472 1.00 0.00 N ATOM 0 H LYS A 42 1.242 5.991 10.084 1.00 0.00 H new ATOM 0 HA LYS A 42 3.374 6.274 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.367 6.521 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.615 7.060 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.389 8.656 11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.919 8.237 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.329 10.181 12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.341 8.883 13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.448 9.008 14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.429 10.001 13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.404 11.319 15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.804 11.793 13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.146 10.830 14.794 1.00 0.00 H new ATOM 611 N ARG A 43 2.451 4.391 13.706 1.00 0.00 N ATOM 612 CA ARG A 43 2.286 3.103 14.367 1.00 0.00 C ATOM 613 C ARG A 43 0.812 2.817 14.639 1.00 0.00 C ATOM 614 O ARG A 43 0.347 1.688 14.477 1.00 0.00 O ATOM 615 CB ARG A 43 3.072 3.074 15.679 1.00 0.00 C ATOM 616 CG ARG A 43 2.699 4.193 16.638 1.00 0.00 C ATOM 617 CD ARG A 43 3.874 4.587 17.519 1.00 0.00 C ATOM 618 NE ARG A 43 3.460 5.427 18.640 1.00 0.00 N ATOM 619 CZ ARG A 43 2.941 4.947 19.764 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.773 3.641 19.917 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.589 5.775 20.740 1.00 0.00 N ATOM 0 H ARG A 43 2.824 5.128 14.305 1.00 0.00 H new ATOM 0 HA ARG A 43 2.673 2.330 13.703 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.906 2.115 16.171 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.137 3.138 15.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.360 5.061 16.072 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.865 3.875 17.263 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.359 3.688 17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.613 5.119 16.921 1.00 0.00 H new ATOM 0 HE ARG A 43 3.576 6.437 18.555 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.043 3.001 19.170 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.374 3.276 20.782 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.717 6.781 20.627 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.190 5.406 21.603 1.00 0.00 H new ATOM 635 N HIS A 44 0.081 3.847 15.054 1.00 0.00 N ATOM 636 CA HIS A 44 -1.341 3.706 15.349 1.00 0.00 C ATOM 637 C HIS A 44 -2.186 4.074 14.133 1.00 0.00 C ATOM 638 O HIS A 44 -3.265 4.652 14.266 1.00 0.00 O ATOM 639 CB HIS A 44 -1.726 4.586 16.538 1.00 0.00 C ATOM 640 CG HIS A 44 -1.301 6.015 16.388 1.00 0.00 C ATOM 641 ND1 HIS A 44 -0.358 6.608 17.200 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.696 6.969 15.513 1.00 0.00 C ATOM 643 CE1 HIS A 44 -0.192 7.866 16.832 1.00 0.00 C ATOM 644 NE2 HIS A 44 -0.992 8.110 15.810 1.00 0.00 N ATOM 0 H HIS A 44 0.449 4.788 15.194 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.534 2.663 15.602 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.807 4.549 16.672 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.279 4.176 17.443 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.428 6.854 14.728 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.483 8.574 17.289 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.074 9.001 15.321 1.00 0.00 H new ATOM 653 N THR A 45 -1.689 3.735 12.948 1.00 0.00 N ATOM 654 CA THR A 45 -2.397 4.032 11.709 1.00 0.00 C ATOM 655 C THR A 45 -2.670 2.760 10.914 1.00 0.00 C ATOM 656 O THR A 45 -1.793 1.917 10.724 1.00 0.00 O ATOM 657 CB THR A 45 -1.601 5.013 10.828 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.698 6.339 11.360 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.117 4.996 9.397 1.00 0.00 C ATOM 0 H THR A 45 -0.799 3.254 12.820 1.00 0.00 H new ATOM 0 HA THR A 45 -3.344 4.493 11.989 1.00 0.00 H new ATOM 0 HB THR A 45 -0.557 4.699 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.188 6.956 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.540 5.697 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.014 3.992 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.167 5.287 9.385 1.00 0.00 H new ATOM 667 N PRO A 46 -3.915 2.615 10.436 1.00 0.00 N ATOM 668 CA PRO A 46 -4.332 1.449 9.653 1.00 0.00 C ATOM 669 C PRO A 46 -3.693 1.422 8.269 1.00 0.00 C ATOM 670 O PRO A 46 -3.804 2.380 7.503 1.00 0.00 O ATOM 671 CB PRO A 46 -5.848 1.622 9.538 1.00 0.00 C ATOM 672 CG PRO A 46 -6.074 3.088 9.681 1.00 0.00 C ATOM 673 CD PRO A 46 -5.011 3.580 10.624 1.00 0.00 C ATOM 0 HA PRO A 46 -4.031 0.513 10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.217 1.256 8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.370 1.063 10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.003 3.590 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.070 3.293 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.698 4.596 10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.363 3.592 11.655 1.00 0.00 H new ATOM 681 N LEU A 47 -3.024 0.318 7.953 1.00 0.00 N ATOM 682 CA LEU A 47 -2.367 0.166 6.659 1.00 0.00 C ATOM 683 C LEU A 47 -3.313 0.536 5.521 1.00 0.00 C ATOM 684 O LEU A 47 -2.877 0.811 4.403 1.00 0.00 O ATOM 685 CB LEU A 47 -1.875 -1.272 6.481 1.00 0.00 C ATOM 686 CG LEU A 47 -0.963 -1.810 7.584 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.753 -3.308 7.419 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.371 -1.079 7.578 1.00 0.00 C ATOM 0 H LEU A 47 -2.922 -0.484 8.575 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.513 0.842 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.744 -1.925 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.342 -1.338 5.532 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.446 -1.635 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.101 -3.674 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.714 -3.819 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.292 -3.506 6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.007 -1.475 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.860 -1.222 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.204 -0.015 7.746 1.00 0.00 H new ATOM 700 N SER A 48 -4.609 0.543 5.814 1.00 0.00 N ATOM 701 CA SER A 48 -5.617 0.879 4.815 1.00 0.00 C ATOM 702 C SER A 48 -5.087 1.925 3.839 1.00 0.00 C ATOM 703 O SER A 48 -5.056 1.703 2.629 1.00 0.00 O ATOM 704 CB SER A 48 -6.887 1.394 5.494 1.00 0.00 C ATOM 705 OG SER A 48 -6.600 2.490 6.347 1.00 0.00 O ATOM 0 H SER A 48 -4.986 0.320 6.735 1.00 0.00 H new ATOM 0 HA SER A 48 -5.855 -0.026 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.610 1.698 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.346 0.591 6.070 1.00 0.00 H new ATOM 0 HG SER A 48 -5.712 2.372 6.744 1.00 0.00 H new ATOM 711 N LYS A 49 -4.672 3.068 4.375 1.00 0.00 N ATOM 712 CA LYS A 49 -4.142 4.150 3.555 1.00 0.00 C ATOM 713 C LYS A 49 -2.908 3.694 2.783 1.00 0.00 C ATOM 714 O LYS A 49 -2.827 3.862 1.565 1.00 0.00 O ATOM 715 CB LYS A 49 -3.792 5.356 4.429 1.00 0.00 C ATOM 716 CG LYS A 49 -4.950 6.319 4.629 1.00 0.00 C ATOM 717 CD LYS A 49 -4.860 7.028 5.970 1.00 0.00 C ATOM 718 CE LYS A 49 -5.341 6.137 7.105 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.566 6.909 8.359 1.00 0.00 N ATOM 0 H LYS A 49 -4.693 3.269 5.375 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.911 4.439 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.452 5.002 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.958 5.893 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.954 7.056 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.892 5.775 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.829 7.330 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.458 7.939 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.267 5.643 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.606 5.353 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.893 6.266 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.676 7.360 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.286 7.641 8.192 1.00 0.00 H new ATOM 733 N LEU A 50 -1.950 3.114 3.497 1.00 0.00 N ATOM 734 CA LEU A 50 -0.720 2.632 2.879 1.00 0.00 C ATOM 735 C LEU A 50 -1.026 1.778 1.652 1.00 0.00 C ATOM 736 O LEU A 50 -0.517 2.036 0.562 1.00 0.00 O ATOM 737 CB LEU A 50 0.098 1.822 3.887 1.00 0.00 C ATOM 738 CG LEU A 50 0.958 0.699 3.306 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.801 1.216 2.151 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.843 0.093 4.385 1.00 0.00 C ATOM 0 H LEU A 50 -2.001 2.966 4.505 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.139 3.498 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.749 2.507 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.587 1.388 4.615 1.00 0.00 H new ATOM 0 HG LEU A 50 0.297 -0.080 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.406 0.403 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.148 1.602 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.454 2.014 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.448 -0.705 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.496 0.863 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.219 -0.315 5.181 1.00 0.00 H new ATOM 752 N MET A 51 -1.861 0.761 1.839 1.00 0.00 N ATOM 753 CA MET A 51 -2.238 -0.128 0.746 1.00 0.00 C ATOM 754 C MET A 51 -2.682 0.669 -0.475 1.00 0.00 C ATOM 755 O MET A 51 -2.171 0.472 -1.578 1.00 0.00 O ATOM 756 CB MET A 51 -3.358 -1.071 1.191 1.00 0.00 C ATOM 757 CG MET A 51 -2.936 -2.048 2.275 1.00 0.00 C ATOM 758 SD MET A 51 -4.325 -2.628 3.267 1.00 0.00 S ATOM 759 CE MET A 51 -3.645 -4.136 3.954 1.00 0.00 C ATOM 0 H MET A 51 -2.289 0.532 2.736 1.00 0.00 H new ATOM 0 HA MET A 51 -1.363 -0.718 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.197 -0.478 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.714 -1.632 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.441 -2.903 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.205 -1.569 2.926 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.361 -4.948 3.828 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.718 -4.386 3.437 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.441 -3.993 5.015 1.00 0.00 H new ATOM 769 N LYS A 52 -3.638 1.569 -0.273 1.00 0.00 N ATOM 770 CA LYS A 52 -4.152 2.398 -1.357 1.00 0.00 C ATOM 771 C LYS A 52 -3.013 3.089 -2.101 1.00 0.00 C ATOM 772 O LYS A 52 -2.907 2.990 -3.323 1.00 0.00 O ATOM 773 CB LYS A 52 -5.127 3.443 -0.810 1.00 0.00 C ATOM 774 CG LYS A 52 -6.571 2.973 -0.783 1.00 0.00 C ATOM 775 CD LYS A 52 -7.436 3.880 0.076 1.00 0.00 C ATOM 776 CE LYS A 52 -7.163 3.671 1.558 1.00 0.00 C ATOM 777 NZ LYS A 52 -8.043 2.621 2.142 1.00 0.00 N ATOM 0 H LYS A 52 -4.073 1.743 0.633 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.679 1.750 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.824 3.716 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.059 4.345 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.965 2.948 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.616 1.954 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.246 4.921 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.488 3.685 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.119 3.390 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.315 4.610 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.640 3.041 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.647 2.220 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.457 1.868 2.556 1.00 0.00 H new ATOM 791 N ALA A 53 -2.163 3.787 -1.355 1.00 0.00 N ATOM 792 CA ALA A 53 -1.030 4.490 -1.943 1.00 0.00 C ATOM 793 C ALA A 53 -0.211 3.564 -2.835 1.00 0.00 C ATOM 794 O ALA A 53 0.491 4.017 -3.738 1.00 0.00 O ATOM 795 CB ALA A 53 -0.154 5.086 -0.851 1.00 0.00 C ATOM 0 H ALA A 53 -2.238 3.881 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.418 5.298 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.688 5.608 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.739 5.789 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.217 4.289 -0.207 1.00 0.00 H new ATOM 801 N TYR A 54 -0.306 2.265 -2.575 1.00 0.00 N ATOM 802 CA TYR A 54 0.429 1.274 -3.352 1.00 0.00 C ATOM 803 C TYR A 54 -0.317 0.927 -4.637 1.00 0.00 C ATOM 804 O TYR A 54 0.295 0.590 -5.651 1.00 0.00 O ATOM 805 CB TYR A 54 0.656 0.009 -2.523 1.00 0.00 C ATOM 806 CG TYR A 54 1.496 -1.033 -3.225 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.919 -1.942 -4.104 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.866 -1.111 -3.010 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.682 -2.897 -4.747 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.637 -2.061 -3.650 1.00 0.00 C ATOM 811 CZ TYR A 54 3.041 -2.952 -4.518 1.00 0.00 C ATOM 812 OH TYR A 54 3.805 -3.901 -5.156 1.00 0.00 O ATOM 0 H TYR A 54 -0.885 1.874 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 54 1.395 1.703 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.140 0.282 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.310 -0.427 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.145 -1.901 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.337 -0.416 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.217 -3.597 -5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.701 -2.106 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 54 4.742 -3.803 -4.886 1.00 0.00 H new ATOM 822 N CYS A 55 -1.642 1.012 -4.585 1.00 0.00 N ATOM 823 CA CYS A 55 -2.473 0.707 -5.744 1.00 0.00 C ATOM 824 C CYS A 55 -2.531 1.894 -6.700 1.00 0.00 C ATOM 825 O CYS A 55 -2.576 1.720 -7.917 1.00 0.00 O ATOM 826 CB CYS A 55 -3.886 0.327 -5.297 1.00 0.00 C ATOM 827 SG CYS A 55 -4.925 1.739 -4.854 1.00 0.00 S ATOM 0 H CYS A 55 -2.163 1.289 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.026 -0.137 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.371 -0.230 -6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.817 -0.342 -4.440 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.204 2.634 -4.246 1.00 0.00 H new ATOM 833 N GLU A 56 -2.530 3.099 -6.139 1.00 0.00 N ATOM 834 CA GLU A 56 -2.584 4.314 -6.943 1.00 0.00 C ATOM 835 C GLU A 56 -1.272 4.531 -7.691 1.00 0.00 C ATOM 836 O GLU A 56 -1.268 4.883 -8.870 1.00 0.00 O ATOM 837 CB GLU A 56 -2.885 5.525 -6.057 1.00 0.00 C ATOM 838 CG GLU A 56 -1.644 6.168 -5.462 1.00 0.00 C ATOM 839 CD GLU A 56 -1.962 7.404 -4.643 1.00 0.00 C ATOM 840 OE1 GLU A 56 -2.932 7.363 -3.858 1.00 0.00 O ATOM 841 OE2 GLU A 56 -1.239 8.412 -4.788 1.00 0.00 O ATOM 0 H GLU A 56 -2.492 3.260 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.384 4.200 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.423 6.269 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.548 5.217 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.130 5.442 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.958 6.436 -6.265 1.00 0.00 H new ATOM 848 N ARG A 57 -0.159 4.320 -6.995 1.00 0.00 N ATOM 849 CA ARG A 57 1.160 4.494 -7.592 1.00 0.00 C ATOM 850 C ARG A 57 1.239 3.798 -8.948 1.00 0.00 C ATOM 851 O ARG A 57 1.608 4.411 -9.949 1.00 0.00 O ATOM 852 CB ARG A 57 2.241 3.943 -6.660 1.00 0.00 C ATOM 853 CG ARG A 57 3.646 4.397 -7.022 1.00 0.00 C ATOM 854 CD ARG A 57 4.652 4.003 -5.952 1.00 0.00 C ATOM 855 NE ARG A 57 5.979 4.550 -6.221 1.00 0.00 N ATOM 856 CZ ARG A 57 6.778 4.101 -7.183 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.385 3.104 -7.964 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.972 4.650 -7.366 1.00 0.00 N ATOM 0 H ARG A 57 -0.145 4.028 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 57 1.327 5.561 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.020 4.252 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.204 2.854 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.937 3.957 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.657 5.479 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.305 4.355 -4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.713 2.916 -5.894 1.00 0.00 H new ATOM 0 HE ARG A 57 6.311 5.319 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.467 2.680 -7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.000 2.761 -8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.277 5.418 -6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.584 4.304 -8.105 1.00 0.00 H new ATOM 872 N GLN A 58 0.891 2.516 -8.970 1.00 0.00 N ATOM 873 CA GLN A 58 0.925 1.737 -10.203 1.00 0.00 C ATOM 874 C GLN A 58 -0.379 1.891 -10.979 1.00 0.00 C ATOM 875 O GLN A 58 -0.390 1.848 -12.208 1.00 0.00 O ATOM 876 CB GLN A 58 1.176 0.261 -9.892 1.00 0.00 C ATOM 877 CG GLN A 58 2.430 0.018 -9.067 1.00 0.00 C ATOM 878 CD GLN A 58 3.667 0.630 -9.692 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.779 0.721 -10.915 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.606 1.054 -8.854 1.00 0.00 N ATOM 0 H GLN A 58 0.583 1.995 -8.149 1.00 0.00 H new ATOM 0 HA GLN A 58 1.741 2.114 -10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.315 -0.140 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.255 -0.291 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.289 0.432 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.580 -1.055 -8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.472 0.959 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.461 1.475 -9.217 1.00 0.00 H new ATOM 889 N GLY A 59 -1.478 2.070 -10.252 1.00 0.00 N ATOM 890 CA GLY A 59 -2.772 2.226 -10.889 1.00 0.00 C ATOM 891 C GLY A 59 -3.560 0.932 -10.927 1.00 0.00 C ATOM 892 O GLY A 59 -4.341 0.698 -11.851 1.00 0.00 O ATOM 0 H GLY A 59 -1.495 2.110 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.347 2.982 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.631 2.592 -11.906 1.00 0.00 H new ATOM 896 N LEU A 60 -3.356 0.087 -9.922 1.00 0.00 N ATOM 897 CA LEU A 60 -4.052 -1.192 -9.845 1.00 0.00 C ATOM 898 C LEU A 60 -5.177 -1.138 -8.817 1.00 0.00 C ATOM 899 O LEU A 60 -5.378 -0.120 -8.154 1.00 0.00 O ATOM 900 CB LEU A 60 -3.070 -2.309 -9.485 1.00 0.00 C ATOM 901 CG LEU A 60 -1.749 -2.314 -10.255 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.667 -3.020 -9.453 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.926 -2.977 -11.614 1.00 0.00 C ATOM 0 H LEU A 60 -2.714 0.265 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.487 -1.400 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.847 -2.240 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.565 -3.267 -9.646 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.439 -1.281 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.266 -3.014 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.521 -2.503 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.969 -4.050 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.976 -2.972 -12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.259 -4.006 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.670 -2.429 -12.192 1.00 0.00 H new ATOM 915 N SER A 61 -5.907 -2.242 -8.687 1.00 0.00 N ATOM 916 CA SER A 61 -7.013 -2.320 -7.740 1.00 0.00 C ATOM 917 C SER A 61 -6.574 -2.999 -6.446 1.00 0.00 C ATOM 918 O SER A 61 -5.676 -3.840 -6.448 1.00 0.00 O ATOM 919 CB SER A 61 -8.187 -3.083 -8.357 1.00 0.00 C ATOM 920 OG SER A 61 -8.815 -2.319 -9.372 1.00 0.00 O ATOM 0 H SER A 61 -5.752 -3.094 -9.226 1.00 0.00 H new ATOM 0 HA SER A 61 -7.331 -1.304 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.833 -4.026 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.912 -3.329 -7.582 1.00 0.00 H new ATOM 0 HG SER A 61 -8.672 -2.749 -10.241 1.00 0.00 H new ATOM 926 N MET A 62 -7.215 -2.626 -5.343 1.00 0.00 N ATOM 927 CA MET A 62 -6.892 -3.200 -4.042 1.00 0.00 C ATOM 928 C MET A 62 -7.212 -4.691 -4.010 1.00 0.00 C ATOM 929 O MET A 62 -6.344 -5.515 -3.721 1.00 0.00 O ATOM 930 CB MET A 62 -7.664 -2.477 -2.936 1.00 0.00 C ATOM 931 CG MET A 62 -7.188 -1.054 -2.693 1.00 0.00 C ATOM 932 SD MET A 62 -7.773 -0.385 -1.125 1.00 0.00 S ATOM 933 CE MET A 62 -6.416 -0.824 -0.042 1.00 0.00 C ATOM 0 H MET A 62 -7.960 -1.930 -5.324 1.00 0.00 H new ATOM 0 HA MET A 62 -5.823 -3.073 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.722 -2.458 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.573 -3.045 -2.010 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.098 -1.032 -2.709 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.532 -0.416 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.614 -0.445 0.961 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.315 -1.909 -0.007 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.492 -0.386 -0.420 1.00 0.00 H new ATOM 943 N ARG A 63 -8.461 -5.030 -4.310 1.00 0.00 N ATOM 944 CA ARG A 63 -8.895 -6.422 -4.314 1.00 0.00 C ATOM 945 C ARG A 63 -8.068 -7.246 -5.296 1.00 0.00 C ATOM 946 O ARG A 63 -8.082 -8.476 -5.254 1.00 0.00 O ATOM 947 CB ARG A 63 -10.379 -6.515 -4.676 1.00 0.00 C ATOM 948 CG ARG A 63 -10.661 -6.282 -6.151 1.00 0.00 C ATOM 949 CD ARG A 63 -10.898 -4.809 -6.447 1.00 0.00 C ATOM 950 NE ARG A 63 -12.012 -4.267 -5.674 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.203 -2.969 -5.470 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.358 -2.083 -5.980 1.00 0.00 N ATOM 953 NH2 ARG A 63 -13.241 -2.553 -4.756 1.00 0.00 N ATOM 0 H ARG A 63 -9.191 -4.360 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.747 -6.826 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.752 -7.500 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.934 -5.784 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.821 -6.643 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.535 -6.860 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.993 -4.244 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.099 -4.681 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.681 -4.922 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.559 -2.398 -6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.507 -1.086 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.894 -3.231 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.386 -1.555 -4.600 1.00 0.00 H new ATOM 967 N GLN A 64 -7.350 -6.560 -6.179 1.00 0.00 N ATOM 968 CA GLN A 64 -6.519 -7.229 -7.173 1.00 0.00 C ATOM 969 C GLN A 64 -5.192 -7.671 -6.564 1.00 0.00 C ATOM 970 O GLN A 64 -4.726 -8.784 -6.809 1.00 0.00 O ATOM 971 CB GLN A 64 -6.263 -6.302 -8.362 1.00 0.00 C ATOM 972 CG GLN A 64 -7.324 -6.398 -9.447 1.00 0.00 C ATOM 973 CD GLN A 64 -6.974 -5.588 -10.680 1.00 0.00 C ATOM 974 OE1 GLN A 64 -7.629 -4.592 -10.989 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.936 -6.011 -11.391 1.00 0.00 N ATOM 0 H GLN A 64 -7.327 -5.541 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.053 -8.114 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.212 -5.273 -8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.291 -6.539 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.456 -7.443 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.278 -6.052 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.422 -6.842 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.653 -5.505 -12.230 1.00 0.00 H new ATOM 984 N ILE A 65 -4.590 -6.793 -5.769 1.00 0.00 N ATOM 985 CA ILE A 65 -3.317 -7.093 -5.125 1.00 0.00 C ATOM 986 C ILE A 65 -3.521 -7.496 -3.668 1.00 0.00 C ATOM 987 O ILE A 65 -4.500 -7.101 -3.035 1.00 0.00 O ATOM 988 CB ILE A 65 -2.358 -5.890 -5.183 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.967 -4.689 -4.458 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.040 -5.537 -6.629 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.016 -3.520 -4.320 1.00 0.00 C ATOM 0 H ILE A 65 -4.963 -5.868 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.875 -7.925 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.429 -6.160 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.856 -4.362 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.293 -5.001 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.361 -4.685 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.569 -6.391 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.962 -5.283 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.515 -2.705 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.137 -3.830 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.709 -3.182 -5.310 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.588 -8.284 -3.142 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.665 -8.740 -1.760 1.00 0.00 C ATOM 1005 C ARG A 66 -1.469 -8.239 -0.955 1.00 0.00 C ATOM 1006 O ARG A 66 -0.368 -8.092 -1.486 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.724 -10.268 -1.707 1.00 0.00 C ATOM 1008 CG ARG A 66 -2.322 -10.847 -0.360 1.00 0.00 C ATOM 1009 CD ARG A 66 -3.451 -10.739 0.652 1.00 0.00 C ATOM 1010 NE ARG A 66 -3.351 -11.758 1.694 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.361 -12.099 2.487 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.539 -11.506 2.358 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -4.193 -13.036 3.412 1.00 0.00 N ATOM 0 H ARG A 66 -1.771 -8.619 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.575 -8.332 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.737 -10.592 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.070 -10.675 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.040 -11.893 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.444 -10.322 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.434 -9.750 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.408 -10.837 0.139 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.457 -12.233 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.672 -10.786 1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.312 -11.770 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.288 -13.495 3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.969 -13.297 4.020 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.694 -7.978 0.328 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.636 -7.491 1.206 1.00 0.00 C ATOM 1029 C PHE A 67 -0.220 -8.567 2.205 1.00 0.00 C ATOM 1030 O PHE A 67 -1.056 -9.315 2.712 1.00 0.00 O ATOM 1031 CB PHE A 67 -1.099 -6.238 1.953 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.369 -5.069 1.050 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.629 -4.871 0.509 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.363 -4.167 0.743 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.880 -3.796 -0.322 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.608 -3.089 -0.087 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.869 -2.903 -0.620 1.00 0.00 C ATOM 0 H PHE A 67 -2.599 -8.095 0.783 1.00 0.00 H new ATOM 0 HA PHE A 67 0.226 -7.239 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.005 -6.472 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.338 -5.957 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.424 -5.565 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.624 -4.308 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.866 -3.654 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.185 -2.393 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.064 -2.061 -1.268 1.00 0.00 H new ATOM 1047 N ARG A 68 1.078 -8.640 2.482 1.00 0.00 N ATOM 1048 CA ARG A 68 1.606 -9.625 3.418 1.00 0.00 C ATOM 1049 C ARG A 68 2.769 -9.046 4.218 1.00 0.00 C ATOM 1050 O ARG A 68 3.438 -8.112 3.774 1.00 0.00 O ATOM 1051 CB ARG A 68 2.061 -10.879 2.669 1.00 0.00 C ATOM 1052 CG ARG A 68 0.969 -11.924 2.512 1.00 0.00 C ATOM 1053 CD ARG A 68 0.992 -12.930 3.653 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.282 -13.631 3.789 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.405 -14.826 4.357 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.662 -15.448 4.839 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.598 -15.400 4.444 1.00 0.00 N ATOM 0 H ARG A 68 1.783 -8.028 2.071 1.00 0.00 H new ATOM 0 HA ARG A 68 0.809 -9.894 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.422 -10.591 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.904 -11.323 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.004 -11.433 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.096 -12.445 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.788 -13.655 3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.224 -12.416 4.585 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.122 -13.179 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.581 -15.009 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.564 -16.365 5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.421 -14.924 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.692 -16.317 4.880 1.00 0.00 H new ATOM 1071 N PHE A 69 3.006 -9.607 5.399 1.00 0.00 N ATOM 1072 CA PHE A 69 4.087 -9.146 6.261 1.00 0.00 C ATOM 1073 C PHE A 69 4.618 -10.287 7.125 1.00 0.00 C ATOM 1074 O PHE A 69 3.848 -11.084 7.661 1.00 0.00 O ATOM 1075 CB PHE A 69 3.605 -7.999 7.152 1.00 0.00 C ATOM 1076 CG PHE A 69 4.677 -7.440 8.042 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.729 -6.712 7.510 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.633 -7.642 9.413 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.717 -6.196 8.326 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.618 -7.128 10.234 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.662 -6.405 9.690 1.00 0.00 C ATOM 0 H PHE A 69 2.464 -10.382 5.781 1.00 0.00 H new ATOM 0 HA PHE A 69 4.896 -8.787 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.214 -7.200 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.779 -8.352 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.777 -6.546 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.820 -8.207 9.844 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.531 -5.630 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.572 -7.291 11.301 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.434 -6.004 10.330 1.00 0.00 H new ATOM 1091 N ASP A 70 5.938 -10.358 7.253 1.00 0.00 N ATOM 1092 CA ASP A 70 6.574 -11.401 8.051 1.00 0.00 C ATOM 1093 C ASP A 70 5.917 -12.754 7.799 1.00 0.00 C ATOM 1094 O ASP A 70 5.905 -13.622 8.671 1.00 0.00 O ATOM 1095 CB ASP A 70 6.497 -11.052 9.539 1.00 0.00 C ATOM 1096 CG ASP A 70 7.693 -10.247 10.007 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.834 -10.717 9.818 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.488 -9.148 10.564 1.00 0.00 O ATOM 0 H ASP A 70 6.589 -9.706 6.815 1.00 0.00 H new ATOM 0 HA ASP A 70 7.621 -11.465 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.585 -10.487 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.430 -11.971 10.122 1.00 0.00 H new ATOM 1103 N GLY A 71 5.372 -12.927 6.599 1.00 0.00 N ATOM 1104 CA GLY A 71 4.720 -14.177 6.253 1.00 0.00 C ATOM 1105 C GLY A 71 3.379 -14.341 6.941 1.00 0.00 C ATOM 1106 O GLY A 71 3.011 -15.446 7.340 1.00 0.00 O ATOM 0 H GLY A 71 5.370 -12.224 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.579 -14.223 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.369 -15.009 6.525 1.00 0.00 H new ATOM 1110 N GLN A 72 2.649 -13.240 7.082 1.00 0.00 N ATOM 1111 CA GLN A 72 1.343 -13.267 7.729 1.00 0.00 C ATOM 1112 C GLN A 72 0.348 -12.382 6.984 1.00 0.00 C ATOM 1113 O GLN A 72 0.697 -11.334 6.442 1.00 0.00 O ATOM 1114 CB GLN A 72 1.461 -12.809 9.184 1.00 0.00 C ATOM 1115 CG GLN A 72 1.317 -11.306 9.362 1.00 0.00 C ATOM 1116 CD GLN A 72 2.008 -10.798 10.612 1.00 0.00 C ATOM 1117 OE1 GLN A 72 3.051 -10.147 10.538 1.00 0.00 O ATOM 1118 NE2 GLN A 72 1.430 -11.094 11.770 1.00 0.00 N ATOM 0 H GLN A 72 2.940 -12.318 6.757 1.00 0.00 H new ATOM 0 HA GLN A 72 0.976 -14.293 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.697 -13.312 9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.428 -13.122 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.732 -10.799 8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.259 -11.049 9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.566 -11.636 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.850 -10.779 12.645 1.00 0.00 H new ATOM 1127 N PRO A 73 -0.922 -12.813 6.956 1.00 0.00 N ATOM 1128 CA PRO A 73 -1.994 -12.075 6.282 1.00 0.00 C ATOM 1129 C PRO A 73 -2.346 -10.778 7.001 1.00 0.00 C ATOM 1130 O PRO A 73 -2.876 -10.798 8.113 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.175 -13.047 6.323 1.00 0.00 C ATOM 1132 CG PRO A 73 -2.905 -13.921 7.499 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.410 -14.054 7.582 1.00 0.00 C ATOM 0 HA PRO A 73 -1.709 -11.772 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.121 -12.516 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.241 -13.629 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.309 -13.483 8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.377 -14.896 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.071 -14.144 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.055 -14.938 7.052 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.050 -9.652 6.361 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.338 -8.346 6.941 1.00 0.00 C ATOM 1143 C ILE A 74 -3.579 -7.725 6.308 1.00 0.00 C ATOM 1144 O ILE A 74 -3.814 -7.868 5.109 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.151 -7.380 6.770 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.596 -7.467 5.347 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.064 -7.691 7.788 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.381 -6.362 5.011 1.00 0.00 C ATOM 0 H ILE A 74 -1.611 -9.618 5.441 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.516 -8.505 8.004 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.502 -6.362 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.102 -8.430 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.425 -7.436 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.768 -7.000 7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.467 -7.583 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.287 -8.713 7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.734 -6.487 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.114 -5.396 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.229 -6.406 5.695 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.369 -7.034 7.123 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.586 -6.389 6.643 1.00 0.00 C ATOM 1162 C ASN A 75 -5.474 -4.871 6.744 1.00 0.00 C ATOM 1163 O ASN A 75 -4.680 -4.349 7.525 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.796 -6.877 7.442 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.944 -8.386 7.404 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.236 -8.966 6.358 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.743 -9.029 8.548 1.00 0.00 N ATOM 0 H ASN A 75 -4.188 -6.906 8.119 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.720 -6.656 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.700 -6.550 8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.700 -6.416 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.829 -10.045 8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.503 -8.507 9.391 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.276 -4.169 5.949 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.266 -2.711 5.950 1.00 0.00 C ATOM 1176 C GLU A 76 -6.636 -2.165 7.326 1.00 0.00 C ATOM 1177 O GLU A 76 -6.041 -1.200 7.805 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.237 -2.172 4.897 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.617 -2.804 4.961 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.575 -2.218 3.943 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.144 -1.966 2.798 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.757 -2.012 4.291 1.00 0.00 O ATOM 0 H GLU A 76 -6.940 -4.586 5.297 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.256 -2.380 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.334 -1.094 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.815 -2.340 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.529 -3.878 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.028 -2.669 5.961 1.00 0.00 H new ATOM 1189 N THR A 77 -7.625 -2.790 7.958 1.00 0.00 N ATOM 1190 CA THR A 77 -8.077 -2.367 9.277 1.00 0.00 C ATOM 1191 C THR A 77 -6.970 -2.521 10.313 1.00 0.00 C ATOM 1192 O THR A 77 -6.910 -1.772 11.288 1.00 0.00 O ATOM 1193 CB THR A 77 -9.308 -3.173 9.735 1.00 0.00 C ATOM 1194 OG1 THR A 77 -9.063 -4.575 9.573 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.542 -2.773 8.941 1.00 0.00 C ATOM 0 H THR A 77 -8.128 -3.591 7.577 1.00 0.00 H new ATOM 0 HA THR A 77 -8.351 -1.315 9.194 1.00 0.00 H new ATOM 0 HB THR A 77 -9.487 -2.955 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.849 -5.081 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.398 -3.355 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.742 -1.712 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.371 -2.965 7.882 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.094 -3.496 10.095 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.986 -3.747 11.010 1.00 0.00 C ATOM 1205 C ASP A 78 -4.007 -2.577 11.012 1.00 0.00 C ATOM 1206 O ASP A 78 -4.059 -1.707 10.141 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.258 -5.035 10.623 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.015 -6.278 11.048 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.171 -6.449 10.607 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.451 -7.080 11.822 1.00 0.00 O ATOM 0 H ASP A 78 -6.130 -4.125 9.293 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.395 -3.858 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.110 -5.055 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.269 -5.041 11.081 1.00 0.00 H new ATOM 1215 N THR A 79 -3.115 -2.559 11.998 1.00 0.00 N ATOM 1216 CA THR A 79 -2.126 -1.495 12.115 1.00 0.00 C ATOM 1217 C THR A 79 -0.711 -2.060 12.140 1.00 0.00 C ATOM 1218 O THR A 79 -0.490 -3.232 12.446 1.00 0.00 O ATOM 1219 CB THR A 79 -2.354 -0.654 13.385 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.827 -1.490 14.448 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.357 0.460 13.124 1.00 0.00 C ATOM 0 H THR A 79 -3.058 -3.270 12.727 1.00 0.00 H new ATOM 0 HA THR A 79 -2.243 -0.856 11.239 1.00 0.00 H new ATOM 0 HB THR A 79 -1.403 -0.205 13.672 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.968 -0.948 15.252 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.502 1.040 14.035 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.980 1.111 12.335 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.308 0.028 12.814 1.00 0.00 H new ATOM 1229 N PRO A 80 0.273 -1.210 11.812 1.00 0.00 N ATOM 1230 CA PRO A 80 1.685 -1.602 11.792 1.00 0.00 C ATOM 1231 C PRO A 80 2.237 -1.855 13.190 1.00 0.00 C ATOM 1232 O PRO A 80 3.282 -2.485 13.351 1.00 0.00 O ATOM 1233 CB PRO A 80 2.379 -0.397 11.153 1.00 0.00 C ATOM 1234 CG PRO A 80 1.480 0.755 11.443 1.00 0.00 C ATOM 1235 CD PRO A 80 0.082 0.202 11.437 1.00 0.00 C ATOM 0 HA PRO A 80 1.840 -2.536 11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.371 -0.241 11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.509 -0.538 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.718 1.203 12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.593 1.537 10.692 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.560 0.723 12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.384 0.298 10.456 1.00 0.00 H new ATOM 1243 N ALA A 81 1.528 -1.361 14.200 1.00 0.00 N ATOM 1244 CA ALA A 81 1.946 -1.536 15.585 1.00 0.00 C ATOM 1245 C ALA A 81 1.500 -2.890 16.126 1.00 0.00 C ATOM 1246 O ALA A 81 2.091 -3.416 17.069 1.00 0.00 O ATOM 1247 CB ALA A 81 1.394 -0.412 16.449 1.00 0.00 C ATOM 0 H ALA A 81 0.661 -0.836 14.084 1.00 0.00 H new ATOM 0 HA ALA A 81 3.035 -1.502 15.617 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.714 -0.556 17.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.767 0.545 16.083 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.305 -0.419 16.403 1.00 0.00 H new ATOM 1253 N GLN A 82 0.454 -3.447 15.525 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.071 -4.739 15.948 1.00 0.00 C ATOM 1255 C GLN A 82 0.816 -5.877 15.454 1.00 0.00 C ATOM 1256 O GLN A 82 0.913 -6.925 16.092 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.498 -4.928 15.431 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.285 -5.986 16.188 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.650 -6.243 15.581 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -4.002 -5.670 14.549 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.428 -7.110 16.219 1.00 0.00 N ATOM 0 H GLN A 82 -0.047 -3.024 14.744 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.081 -4.758 17.038 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.028 -3.978 15.496 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.460 -5.201 14.376 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.717 -6.916 16.201 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.406 -5.671 17.225 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.096 -7.562 17.071 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.357 -7.324 15.857 1.00 0.00 H new ATOM 1270 N LEU A 83 1.462 -5.663 14.313 1.00 0.00 N ATOM 1271 CA LEU A 83 2.342 -6.670 13.731 1.00 0.00 C ATOM 1272 C LEU A 83 3.752 -6.556 14.302 1.00 0.00 C ATOM 1273 O LEU A 83 4.662 -7.270 13.881 1.00 0.00 O ATOM 1274 CB LEU A 83 2.382 -6.524 12.209 1.00 0.00 C ATOM 1275 CG LEU A 83 1.027 -6.503 11.501 1.00 0.00 C ATOM 1276 CD1 LEU A 83 1.149 -5.848 10.134 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.472 -7.914 11.371 1.00 0.00 C ATOM 0 H LEU A 83 1.393 -4.801 13.772 1.00 0.00 H new ATOM 0 HA LEU A 83 1.945 -7.653 13.984 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.911 -5.602 11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.970 -7.346 11.801 1.00 0.00 H new ATOM 0 HG LEU A 83 0.333 -5.915 12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.175 -5.842 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.502 -4.824 10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.858 -6.408 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.493 -7.880 10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.164 -8.525 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.346 -8.348 12.363 1.00 0.00 H new ATOM 1289 N GLU A 84 3.925 -5.655 15.264 1.00 0.00 N ATOM 1290 CA GLU A 84 5.224 -5.450 15.893 1.00 0.00 C ATOM 1291 C GLU A 84 6.234 -4.902 14.889 1.00 0.00 C ATOM 1292 O GLU A 84 7.346 -5.414 14.769 1.00 0.00 O ATOM 1293 CB GLU A 84 5.740 -6.761 16.489 1.00 0.00 C ATOM 1294 CG GLU A 84 4.799 -7.379 17.509 1.00 0.00 C ATOM 1295 CD GLU A 84 5.293 -8.717 18.023 1.00 0.00 C ATOM 1296 OE1 GLU A 84 5.438 -9.650 17.206 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.534 -8.832 19.243 1.00 0.00 O ATOM 0 H GLU A 84 3.182 -5.056 15.624 1.00 0.00 H new ATOM 0 HA GLU A 84 5.100 -4.720 16.693 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.908 -7.475 15.683 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.706 -6.580 16.961 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.678 -6.694 18.348 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.815 -7.508 17.058 1.00 0.00 H new ATOM 1304 N MET A 85 5.837 -3.858 14.169 1.00 0.00 N ATOM 1305 CA MET A 85 6.707 -3.240 13.175 1.00 0.00 C ATOM 1306 C MET A 85 7.640 -2.224 13.827 1.00 0.00 C ATOM 1307 O MET A 85 7.252 -1.519 14.757 1.00 0.00 O ATOM 1308 CB MET A 85 5.873 -2.559 12.088 1.00 0.00 C ATOM 1309 CG MET A 85 5.018 -3.526 11.284 1.00 0.00 C ATOM 1310 SD MET A 85 4.263 -2.751 9.842 1.00 0.00 S ATOM 1311 CE MET A 85 4.133 -4.151 8.734 1.00 0.00 C ATOM 0 H MET A 85 4.919 -3.422 14.255 1.00 0.00 H new ATOM 0 HA MET A 85 7.312 -4.024 12.720 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.227 -1.813 12.551 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.540 -2.026 11.410 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.633 -4.366 10.960 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.235 -3.932 11.925 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.190 -4.098 8.190 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.962 -4.133 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.168 -5.076 9.310 1.00 0.00 H new ATOM 1321 N GLU A 86 8.872 -2.156 13.332 1.00 0.00 N ATOM 1322 CA GLU A 86 9.860 -1.227 13.867 1.00 0.00 C ATOM 1323 C GLU A 86 10.137 -0.097 12.879 1.00 0.00 C ATOM 1324 O GLU A 86 9.678 1.030 13.065 1.00 0.00 O ATOM 1325 CB GLU A 86 11.161 -1.963 14.194 1.00 0.00 C ATOM 1326 CG GLU A 86 11.014 -2.999 15.296 1.00 0.00 C ATOM 1327 CD GLU A 86 10.607 -2.386 16.622 1.00 0.00 C ATOM 1328 OE1 GLU A 86 11.500 -1.921 17.361 1.00 0.00 O ATOM 1329 OE2 GLU A 86 9.394 -2.371 16.921 1.00 0.00 O ATOM 0 H GLU A 86 9.209 -2.733 12.562 1.00 0.00 H new ATOM 0 HA GLU A 86 9.455 -0.795 14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.527 -2.454 13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.916 -1.235 14.490 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.270 -3.738 14.998 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.958 -3.529 15.420 1.00 0.00 H new ATOM 1336 N ASP A 87 10.890 -0.408 11.830 1.00 0.00 N ATOM 1337 CA ASP A 87 11.228 0.580 10.812 1.00 0.00 C ATOM 1338 C ASP A 87 11.942 -0.076 9.635 1.00 0.00 C ATOM 1339 O ASP A 87 12.321 -1.245 9.700 1.00 0.00 O ATOM 1340 CB ASP A 87 12.107 1.679 11.410 1.00 0.00 C ATOM 1341 CG ASP A 87 13.127 1.136 12.391 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.772 0.948 13.573 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.282 0.899 11.976 1.00 0.00 O ATOM 0 H ASP A 87 11.278 -1.336 11.662 1.00 0.00 H new ATOM 0 HA ASP A 87 10.301 1.024 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.624 2.204 10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.476 2.411 11.915 1.00 0.00 H new ATOM 1348 N GLU A 88 12.122 0.685 8.560 1.00 0.00 N ATOM 1349 CA GLU A 88 12.790 0.176 7.367 1.00 0.00 C ATOM 1350 C GLU A 88 12.373 -1.264 7.083 1.00 0.00 C ATOM 1351 O GLU A 88 13.110 -2.022 6.452 1.00 0.00 O ATOM 1352 CB GLU A 88 14.309 0.255 7.533 1.00 0.00 C ATOM 1353 CG GLU A 88 14.886 1.623 7.208 1.00 0.00 C ATOM 1354 CD GLU A 88 15.257 1.766 5.744 1.00 0.00 C ATOM 1355 OE1 GLU A 88 14.354 2.041 4.927 1.00 0.00 O ATOM 1356 OE2 GLU A 88 16.451 1.604 5.417 1.00 0.00 O ATOM 0 H GLU A 88 11.815 1.655 8.490 1.00 0.00 H new ATOM 0 HA GLU A 88 12.491 0.796 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.568 -0.005 8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.776 -0.490 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.160 2.392 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.770 1.796 7.822 1.00 0.00 H new ATOM 1363 N ASP A 89 11.187 -1.634 7.554 1.00 0.00 N ATOM 1364 CA ASP A 89 10.671 -2.983 7.351 1.00 0.00 C ATOM 1365 C ASP A 89 10.453 -3.264 5.868 1.00 0.00 C ATOM 1366 O ASP A 89 10.795 -2.446 5.013 1.00 0.00 O ATOM 1367 CB ASP A 89 9.360 -3.171 8.117 1.00 0.00 C ATOM 1368 CG ASP A 89 9.562 -3.177 9.619 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.227 -4.105 10.124 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.055 -2.254 10.290 1.00 0.00 O ATOM 0 H ASP A 89 10.565 -1.019 8.079 1.00 0.00 H new ATOM 0 HA ASP A 89 11.409 -3.689 7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.669 -2.372 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.896 -4.109 7.812 1.00 0.00 H new ATOM 1375 N THR A 90 9.882 -4.427 5.568 1.00 0.00 N ATOM 1376 CA THR A 90 9.620 -4.817 4.189 1.00 0.00 C ATOM 1377 C THR A 90 8.294 -5.560 4.069 1.00 0.00 C ATOM 1378 O THR A 90 8.083 -6.581 4.725 1.00 0.00 O ATOM 1379 CB THR A 90 10.747 -5.708 3.634 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.004 -5.031 3.739 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.482 -6.074 2.181 1.00 0.00 C ATOM 0 H THR A 90 9.592 -5.115 6.263 1.00 0.00 H new ATOM 0 HA THR A 90 9.572 -3.898 3.605 1.00 0.00 H new ATOM 0 HB THR A 90 10.778 -6.625 4.223 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.715 -5.605 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.291 -6.703 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.539 -6.616 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.426 -5.165 1.581 1.00 0.00 H new ATOM 1389 N ILE A 91 7.405 -5.042 3.229 1.00 0.00 N ATOM 1390 CA ILE A 91 6.100 -5.658 3.023 1.00 0.00 C ATOM 1391 C ILE A 91 6.089 -6.514 1.761 1.00 0.00 C ATOM 1392 O ILE A 91 6.817 -6.240 0.807 1.00 0.00 O ATOM 1393 CB ILE A 91 4.987 -4.599 2.921 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.170 -3.529 4.000 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.619 -5.254 3.045 1.00 0.00 C ATOM 1396 CD1 ILE A 91 3.959 -2.642 4.183 1.00 0.00 C ATOM 0 H ILE A 91 7.564 -4.197 2.680 1.00 0.00 H new ATOM 0 HA ILE A 91 5.910 -6.291 3.890 1.00 0.00 H new ATOM 0 HB ILE A 91 5.052 -4.119 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.400 -4.016 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.029 -2.909 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.843 -4.492 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.490 -5.982 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.543 -5.757 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.160 -1.908 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.741 -2.127 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.102 -3.251 4.471 1.00 0.00 H new ATOM 1408 N ASP A 92 5.258 -7.550 1.763 1.00 0.00 N ATOM 1409 CA ASP A 92 5.150 -8.445 0.617 1.00 0.00 C ATOM 1410 C ASP A 92 3.812 -8.261 -0.092 1.00 0.00 C ATOM 1411 O ASP A 92 2.751 -8.442 0.506 1.00 0.00 O ATOM 1412 CB ASP A 92 5.309 -9.900 1.062 1.00 0.00 C ATOM 1413 CG ASP A 92 5.919 -10.772 -0.018 1.00 0.00 C ATOM 1414 OD1 ASP A 92 5.456 -10.693 -1.175 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.857 -11.535 0.294 1.00 0.00 O ATOM 0 H ASP A 92 4.649 -7.791 2.545 1.00 0.00 H new ATOM 0 HA ASP A 92 5.949 -8.197 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.936 -9.938 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.334 -10.300 1.341 1.00 0.00 H new ATOM 1420 N VAL A 93 3.869 -7.899 -1.370 1.00 0.00 N ATOM 1421 CA VAL A 93 2.662 -7.690 -2.160 1.00 0.00 C ATOM 1422 C VAL A 93 2.774 -8.365 -3.523 1.00 0.00 C ATOM 1423 O VAL A 93 3.862 -8.464 -4.091 1.00 0.00 O ATOM 1424 CB VAL A 93 2.377 -6.190 -2.364 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.219 -5.993 -3.331 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.090 -5.517 -1.031 1.00 0.00 C ATOM 0 H VAL A 93 4.739 -7.744 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 93 1.838 -8.136 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 93 3.263 -5.725 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.032 -4.927 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.469 -6.439 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.325 -6.471 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.891 -4.458 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.220 -5.983 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.953 -5.627 -0.374 1.00 0.00 H new ATOM 1436 N PHE A 94 1.642 -8.826 -4.043 1.00 0.00 N ATOM 1437 CA PHE A 94 1.612 -9.493 -5.340 1.00 0.00 C ATOM 1438 C PHE A 94 0.932 -8.615 -6.387 1.00 0.00 C ATOM 1439 O PHE A 94 -0.282 -8.413 -6.348 1.00 0.00 O ATOM 1440 CB PHE A 94 0.884 -10.834 -5.231 1.00 0.00 C ATOM 1441 CG PHE A 94 1.356 -11.681 -4.084 1.00 0.00 C ATOM 1442 CD1 PHE A 94 0.967 -11.392 -2.786 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.188 -12.767 -4.304 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.401 -12.169 -1.729 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.624 -13.549 -3.251 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.229 -13.250 -1.962 1.00 0.00 C ATOM 0 H PHE A 94 0.733 -8.750 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 94 2.641 -9.671 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.185 -10.650 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.018 -11.388 -6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.317 -10.550 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.500 -13.005 -5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.093 -11.931 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.273 -14.393 -3.436 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.567 -13.860 -1.137 1.00 0.00 H new ATOM 1456 N GLN A 95 1.723 -8.096 -7.320 1.00 0.00 N ATOM 1457 CA GLN A 95 1.198 -7.240 -8.377 1.00 0.00 C ATOM 1458 C GLN A 95 0.716 -8.070 -9.562 1.00 0.00 C ATOM 1459 O GLN A 95 1.495 -8.794 -10.181 1.00 0.00 O ATOM 1460 CB GLN A 95 2.266 -6.246 -8.835 1.00 0.00 C ATOM 1461 CG GLN A 95 2.449 -5.070 -7.890 1.00 0.00 C ATOM 1462 CD GLN A 95 3.117 -3.883 -8.557 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.266 -3.847 -9.779 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.522 -2.904 -7.757 1.00 0.00 N ATOM 0 H GLN A 95 2.730 -8.253 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 95 0.348 -6.689 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.217 -6.769 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.000 -5.869 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.477 -4.765 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.047 -5.386 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.378 -2.976 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.977 -2.080 -8.150 1.00 0.00 H new