USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 26 ASN : amide:sc= 0.0851 K(o=0.11,f=-0.46) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.0297 K(o=0.11,f=-2.2!) USER MOD Single : A 23 THR OG1 : rot 28:sc= 0.0894 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0833 K(o=-0.083,f=-0.77) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 67 ASN : amide:sc= -0.733 K(o=-0.73,f=-6.7!) USER MOD Single : A 70 ASN : amide:sc= 0.702 K(o=0.7,f=-4.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000938 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0881 USER MOD Single : A 79 GLN : amide:sc= -0.355 K(o=-0.35,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -6.850 -6.136 -9.433 1.00 0.00 N ATOM 367 CA THR A 23 -6.334 -6.155 -8.049 1.00 0.00 C ATOM 368 C THR A 23 -5.804 -4.774 -7.644 1.00 0.00 C ATOM 369 O THR A 23 -4.831 -4.263 -8.222 1.00 0.00 O ATOM 370 CB THR A 23 -5.205 -7.212 -7.858 1.00 0.00 C ATOM 371 OG1 THR A 23 -5.677 -8.508 -8.283 1.00 0.00 O ATOM 372 CG2 THR A 23 -4.725 -7.307 -6.391 1.00 0.00 C ATOM 0 HA THR A 23 -7.173 -6.428 -7.409 1.00 0.00 H new ATOM 0 HB THR A 23 -4.359 -6.891 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.362 -8.396 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.938 -8.058 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.336 -6.340 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.561 -7.591 -5.752 1.00 0.00 H new ATOM 380 N ARG A 24 -6.482 -4.171 -6.672 1.00 0.00 N ATOM 381 CA ARG A 24 -6.157 -2.834 -6.173 1.00 0.00 C ATOM 382 C ARG A 24 -5.809 -2.900 -4.675 1.00 0.00 C ATOM 383 O ARG A 24 -5.996 -3.949 -4.033 1.00 0.00 O ATOM 384 CB ARG A 24 -7.360 -1.881 -6.482 1.00 0.00 C ATOM 385 CG ARG A 24 -6.929 -0.472 -6.928 1.00 0.00 C ATOM 386 CD ARG A 24 -8.035 0.335 -7.638 1.00 0.00 C ATOM 387 NE ARG A 24 -8.644 -0.308 -8.829 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.005 -0.822 -9.915 1.00 0.00 C ATOM 389 NH1 ARG A 24 -6.687 -0.987 -9.959 1.00 0.00 N ATOM 390 NH2 ARG A 24 -8.712 -1.166 -10.971 1.00 0.00 N ATOM 0 H ARG A 24 -7.280 -4.599 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.276 -2.433 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.976 -2.328 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.984 -1.797 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.593 0.086 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.074 -0.561 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.826 0.543 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.619 1.296 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.662 -0.372 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.113 -0.724 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.249 -1.376 -10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.725 -1.046 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.247 -1.553 -11.792 1.00 0.00 H new ATOM 404 N ILE A 25 -5.293 -1.789 -4.122 1.00 0.00 N ATOM 405 CA ILE A 25 -4.819 -1.740 -2.733 1.00 0.00 C ATOM 406 C ILE A 25 -5.278 -0.449 -2.034 1.00 0.00 C ATOM 407 O ILE A 25 -5.296 0.634 -2.633 1.00 0.00 O ATOM 408 CB ILE A 25 -3.246 -1.898 -2.658 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.722 -1.941 -1.178 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.522 -0.793 -3.474 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.245 -2.294 -1.029 1.00 0.00 C ATOM 0 H ILE A 25 -5.194 -0.906 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.264 -2.582 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.008 -2.860 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.896 -0.968 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.312 -2.668 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.444 -0.933 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.825 -0.855 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.789 0.186 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.977 -2.299 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.062 -3.281 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.640 -1.555 -1.554 1.00 0.00 H new ATOM 423 N ASN A 26 -5.658 -0.592 -0.755 1.00 0.00 N ATOM 424 CA ASN A 26 -6.032 0.524 0.109 1.00 0.00 C ATOM 425 C ASN A 26 -4.761 0.962 0.838 1.00 0.00 C ATOM 426 O ASN A 26 -4.324 0.307 1.798 1.00 0.00 O ATOM 427 CB ASN A 26 -7.129 0.093 1.115 1.00 0.00 C ATOM 428 CG ASN A 26 -8.385 -0.460 0.430 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.307 0.283 0.100 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.426 -1.766 0.217 1.00 0.00 N ATOM 0 H ASN A 26 -5.713 -1.499 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.445 1.348 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.723 -0.665 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.405 0.948 1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.240 -2.184 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.643 -2.354 0.503 1.00 0.00 H new ATOM 437 N VAL A 27 -4.155 2.042 0.348 1.00 0.00 N ATOM 438 CA VAL A 27 -2.864 2.537 0.827 1.00 0.00 C ATOM 439 C VAL A 27 -3.081 3.584 1.922 1.00 0.00 C ATOM 440 O VAL A 27 -3.629 4.658 1.674 1.00 0.00 O ATOM 441 CB VAL A 27 -2.029 3.138 -0.357 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.702 3.745 0.133 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.776 2.073 -1.444 1.00 0.00 C ATOM 0 H VAL A 27 -4.552 2.606 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.301 1.703 1.247 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.616 3.945 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.152 4.151 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.908 4.543 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.105 2.972 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.195 2.512 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.224 1.238 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.730 1.716 -1.833 1.00 0.00 H new ATOM 453 N VAL A 28 -2.653 3.243 3.134 1.00 0.00 N ATOM 454 CA VAL A 28 -2.805 4.091 4.314 1.00 0.00 C ATOM 455 C VAL A 28 -1.462 4.737 4.641 1.00 0.00 C ATOM 456 O VAL A 28 -0.487 4.028 4.862 1.00 0.00 O ATOM 457 CB VAL A 28 -3.285 3.249 5.553 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.579 4.149 6.778 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.503 2.368 5.193 1.00 0.00 C ATOM 0 H VAL A 28 -2.184 2.358 3.328 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.553 4.854 4.100 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.467 2.585 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.908 3.531 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.674 4.687 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.362 4.863 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.812 1.798 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.326 3.002 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.231 1.682 4.391 1.00 0.00 H new ATOM 469 N ASP A 29 -1.412 6.071 4.646 1.00 0.00 N ATOM 470 CA ASP A 29 -0.272 6.819 5.188 1.00 0.00 C ATOM 471 C ASP A 29 -0.066 6.452 6.670 1.00 0.00 C ATOM 472 O ASP A 29 -0.970 6.677 7.474 1.00 0.00 O ATOM 473 CB ASP A 29 -0.508 8.348 5.088 1.00 0.00 C ATOM 474 CG ASP A 29 -0.525 8.870 3.657 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.548 9.233 3.143 1.00 0.00 O ATOM 476 OD2 ASP A 29 -1.607 8.932 3.044 1.00 0.00 O ATOM 0 H ASP A 29 -2.156 6.662 4.276 1.00 0.00 H new ATOM 0 HA ASP A 29 0.609 6.555 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.456 8.593 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.273 8.865 5.645 1.00 0.00 H new ATOM 481 N PRO A 30 1.096 5.849 7.062 1.00 0.00 N ATOM 482 CA PRO A 30 1.431 5.654 8.487 1.00 0.00 C ATOM 483 C PRO A 30 1.798 6.998 9.170 1.00 0.00 C ATOM 484 O PRO A 30 1.763 7.113 10.397 1.00 0.00 O ATOM 485 CB PRO A 30 2.623 4.655 8.447 1.00 0.00 C ATOM 486 CG PRO A 30 3.266 4.890 7.111 1.00 0.00 C ATOM 487 CD PRO A 30 2.147 5.288 6.169 1.00 0.00 C ATOM 0 HA PRO A 30 0.598 5.272 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.323 4.839 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.281 3.625 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.020 5.675 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.771 3.991 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.484 6.025 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.776 4.431 5.608 1.00 0.00 H new ATOM 495 N GLU A 31 2.117 8.017 8.344 1.00 0.00 N ATOM 496 CA GLU A 31 2.500 9.355 8.817 1.00 0.00 C ATOM 497 C GLU A 31 1.267 10.199 9.246 1.00 0.00 C ATOM 498 O GLU A 31 1.222 10.702 10.374 1.00 0.00 O ATOM 499 CB GLU A 31 3.333 10.084 7.713 1.00 0.00 C ATOM 500 CG GLU A 31 2.679 10.125 6.309 1.00 0.00 C ATOM 501 CD GLU A 31 3.530 10.850 5.253 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.489 10.242 4.731 1.00 0.00 O ATOM 503 OE2 GLU A 31 3.261 12.040 4.963 1.00 0.00 O ATOM 0 H GLU A 31 2.115 7.930 7.328 1.00 0.00 H new ATOM 0 HA GLU A 31 3.117 9.238 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.520 11.107 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.303 9.594 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.492 9.104 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.710 10.618 6.383 1.00 0.00 H new ATOM 510 N THR A 32 0.273 10.338 8.346 1.00 0.00 N ATOM 511 CA THR A 32 -0.931 11.171 8.586 1.00 0.00 C ATOM 512 C THR A 32 -2.160 10.336 8.990 1.00 0.00 C ATOM 513 O THR A 32 -3.054 10.846 9.680 1.00 0.00 O ATOM 514 CB THR A 32 -1.258 12.019 7.310 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.400 11.151 6.172 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.169 13.075 7.022 1.00 0.00 C ATOM 0 H THR A 32 0.278 9.880 7.435 1.00 0.00 H new ATOM 0 HA THR A 32 -0.702 11.830 9.423 1.00 0.00 H new ATOM 0 HB THR A 32 -2.193 12.547 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.606 11.685 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.437 13.640 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.088 13.755 7.870 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.788 12.577 6.863 1.00 0.00 H new ATOM 524 N GLY A 33 -2.199 9.062 8.562 1.00 0.00 N ATOM 525 CA GLY A 33 -3.342 8.172 8.846 1.00 0.00 C ATOM 526 C GLY A 33 -4.407 8.207 7.756 1.00 0.00 C ATOM 527 O GLY A 33 -5.484 7.618 7.924 1.00 0.00 O ATOM 0 H GLY A 33 -1.454 8.625 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.980 7.150 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.792 8.459 9.796 1.00 0.00 H new ATOM 531 N LYS A 34 -4.104 8.904 6.639 1.00 0.00 N ATOM 532 CA LYS A 34 -5.011 9.012 5.476 1.00 0.00 C ATOM 533 C LYS A 34 -5.050 7.692 4.688 1.00 0.00 C ATOM 534 O LYS A 34 -4.028 7.028 4.558 1.00 0.00 O ATOM 535 CB LYS A 34 -4.547 10.165 4.546 1.00 0.00 C ATOM 536 CG LYS A 34 -4.612 11.575 5.174 1.00 0.00 C ATOM 537 CD LYS A 34 -6.041 11.963 5.612 1.00 0.00 C ATOM 538 CE LYS A 34 -6.132 13.392 6.173 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.492 13.684 6.702 1.00 0.00 N ATOM 0 H LYS A 34 -3.225 9.407 6.519 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.015 9.225 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.521 9.970 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.162 10.156 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.948 11.616 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.245 12.307 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.714 11.870 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.386 11.259 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.396 13.520 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.883 14.108 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.519 14.655 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.190 13.585 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.718 13.016 7.466 1.00 0.00 H new ATOM 553 N VAL A 35 -6.239 7.325 4.169 1.00 0.00 N ATOM 554 CA VAL A 35 -6.435 6.094 3.371 1.00 0.00 C ATOM 555 C VAL A 35 -6.910 6.470 1.957 1.00 0.00 C ATOM 556 O VAL A 35 -7.958 7.114 1.809 1.00 0.00 O ATOM 557 CB VAL A 35 -7.495 5.122 4.035 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.563 3.772 3.283 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.205 4.911 5.538 1.00 0.00 C ATOM 0 H VAL A 35 -7.091 7.872 4.290 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.480 5.571 3.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.472 5.598 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.299 3.126 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.853 3.947 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.585 3.291 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.951 4.239 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.213 4.475 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.245 5.870 6.054 1.00 0.00 H new ATOM 569 N GLU A 36 -6.152 6.049 0.930 1.00 0.00 N ATOM 570 CA GLU A 36 -6.485 6.286 -0.480 1.00 0.00 C ATOM 571 C GLU A 36 -6.262 4.992 -1.270 1.00 0.00 C ATOM 572 O GLU A 36 -5.245 4.315 -1.083 1.00 0.00 O ATOM 573 CB GLU A 36 -5.611 7.416 -1.075 1.00 0.00 C ATOM 574 CG GLU A 36 -6.017 7.851 -2.501 1.00 0.00 C ATOM 575 CD GLU A 36 -5.007 8.788 -3.188 1.00 0.00 C ATOM 576 OE1 GLU A 36 -4.651 9.828 -2.601 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.600 8.506 -4.333 1.00 0.00 O ATOM 0 H GLU A 36 -5.283 5.530 1.059 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.529 6.593 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.660 8.283 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.572 7.086 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.147 6.961 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.985 8.350 -2.454 1.00 0.00 H new ATOM 584 N ILE A 37 -7.206 4.669 -2.155 1.00 0.00 N ATOM 585 CA ILE A 37 -7.149 3.466 -2.986 1.00 0.00 C ATOM 586 C ILE A 37 -6.187 3.710 -4.181 1.00 0.00 C ATOM 587 O ILE A 37 -6.544 4.398 -5.152 1.00 0.00 O ATOM 588 CB ILE A 37 -8.596 3.068 -3.476 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.577 2.937 -2.257 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.571 1.756 -4.300 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.025 2.659 -2.635 1.00 0.00 C ATOM 0 H ILE A 37 -8.037 5.238 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.763 2.632 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.957 3.864 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.224 2.135 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.538 3.858 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.583 1.510 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.933 1.887 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.179 0.947 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.629 2.584 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.401 3.471 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.083 1.722 -3.189 1.00 0.00 H new ATOM 603 N ALA A 38 -4.943 3.203 -4.069 1.00 0.00 N ATOM 604 CA ALA A 38 -3.969 3.213 -5.181 1.00 0.00 C ATOM 605 C ALA A 38 -4.015 1.880 -5.916 1.00 0.00 C ATOM 606 O ALA A 38 -4.533 0.893 -5.391 1.00 0.00 O ATOM 607 CB ALA A 38 -2.551 3.512 -4.679 1.00 0.00 C ATOM 0 H ALA A 38 -4.586 2.778 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.242 4.010 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.859 3.512 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.535 4.489 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.250 2.748 -3.962 1.00 0.00 H new ATOM 613 N GLU A 39 -3.462 1.851 -7.131 1.00 0.00 N ATOM 614 CA GLU A 39 -3.508 0.665 -8.004 1.00 0.00 C ATOM 615 C GLU A 39 -2.151 -0.053 -7.969 1.00 0.00 C ATOM 616 O GLU A 39 -1.113 0.612 -8.013 1.00 0.00 O ATOM 617 CB GLU A 39 -3.857 1.105 -9.447 1.00 0.00 C ATOM 618 CG GLU A 39 -5.140 1.954 -9.578 1.00 0.00 C ATOM 619 CD GLU A 39 -5.426 2.352 -11.033 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.054 1.559 -11.759 1.00 0.00 O ATOM 621 OE2 GLU A 39 -4.991 3.446 -11.468 1.00 0.00 O ATOM 0 H GLU A 39 -2.970 2.645 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.274 -0.026 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.020 1.675 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.964 0.215 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.987 1.393 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.042 2.853 -8.970 1.00 0.00 H new ATOM 628 N ILE A 40 -2.150 -1.405 -7.886 1.00 0.00 N ATOM 629 CA ILE A 40 -0.903 -2.183 -7.905 1.00 0.00 C ATOM 630 C ILE A 40 -0.425 -2.330 -9.365 1.00 0.00 C ATOM 631 O ILE A 40 -1.045 -3.036 -10.172 1.00 0.00 O ATOM 632 CB ILE A 40 -1.089 -3.595 -7.247 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.686 -3.431 -5.816 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.257 -4.380 -7.214 1.00 0.00 C ATOM 635 CD1 ILE A 40 -2.020 -4.722 -5.113 1.00 0.00 C ATOM 0 H ILE A 40 -2.996 -1.970 -7.806 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.153 -1.651 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.785 -4.178 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.976 -2.875 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.591 -2.827 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.098 -5.355 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.624 -4.515 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.991 -3.820 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.429 -4.504 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.757 -5.274 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.117 -5.323 -5.007 1.00 0.00 H new ATOM 647 N ARG A 41 0.673 -1.654 -9.674 1.00 0.00 N ATOM 648 CA ARG A 41 1.309 -1.662 -10.989 1.00 0.00 C ATOM 649 C ARG A 41 2.134 -2.945 -11.152 1.00 0.00 C ATOM 650 O ARG A 41 1.931 -3.709 -12.094 1.00 0.00 O ATOM 651 CB ARG A 41 2.199 -0.399 -11.104 1.00 0.00 C ATOM 652 CG ARG A 41 1.422 0.941 -11.007 1.00 0.00 C ATOM 653 CD ARG A 41 2.334 2.142 -10.690 1.00 0.00 C ATOM 654 NE ARG A 41 3.506 2.226 -11.588 1.00 0.00 N ATOM 655 CZ ARG A 41 4.026 3.360 -12.085 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.422 4.533 -11.904 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.139 3.307 -12.796 1.00 0.00 N ATOM 0 H ARG A 41 1.162 -1.067 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 41 0.562 -1.645 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.952 -0.427 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.731 -0.429 -12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.904 1.123 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.658 0.857 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.755 3.062 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.677 2.069 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 41 3.957 1.350 -11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.548 4.581 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.833 5.383 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.595 2.410 -12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.542 4.163 -13.178 1.00 0.00 H new ATOM 671 N ASN A 42 3.036 -3.196 -10.190 1.00 0.00 N ATOM 672 CA ASN A 42 3.974 -4.343 -10.248 1.00 0.00 C ATOM 673 C ASN A 42 4.291 -4.835 -8.821 1.00 0.00 C ATOM 674 O ASN A 42 3.999 -4.140 -7.844 1.00 0.00 O ATOM 675 CB ASN A 42 5.276 -3.924 -10.996 1.00 0.00 C ATOM 676 CG ASN A 42 6.105 -5.115 -11.502 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.899 -5.704 -10.771 1.00 0.00 O ATOM 678 ND2 ASN A 42 5.927 -5.477 -12.753 1.00 0.00 N ATOM 0 H ASN A 42 3.140 -2.619 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 42 3.511 -5.163 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.011 -3.291 -11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.891 -3.322 -10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.453 -6.262 -13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.263 -4.973 -13.340 1.00 0.00 H new ATOM 685 N VAL A 43 4.883 -6.038 -8.713 1.00 0.00 N ATOM 686 CA VAL A 43 5.242 -6.661 -7.419 1.00 0.00 C ATOM 687 C VAL A 43 6.752 -6.552 -7.134 1.00 0.00 C ATOM 688 O VAL A 43 7.264 -7.224 -6.223 1.00 0.00 O ATOM 689 CB VAL A 43 4.796 -8.168 -7.398 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.278 -8.285 -7.615 1.00 0.00 C ATOM 691 CG2 VAL A 43 5.566 -9.026 -8.444 1.00 0.00 C ATOM 0 H VAL A 43 5.128 -6.610 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 43 4.715 -6.118 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 43 5.045 -8.563 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.988 -9.336 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.755 -7.751 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.014 -7.852 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.223 -10.059 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.381 -8.633 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.634 -8.987 -8.231 1.00 0.00 H new ATOM 914 N ILE A 57 2.987 -13.315 -6.668 1.00 0.00 N ATOM 915 CA ILE A 57 2.794 -13.688 -5.271 1.00 0.00 C ATOM 916 C ILE A 57 3.301 -12.542 -4.388 1.00 0.00 C ATOM 917 O ILE A 57 4.511 -12.385 -4.169 1.00 0.00 O ATOM 918 CB ILE A 57 3.522 -15.041 -4.929 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.945 -16.190 -5.820 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.384 -15.387 -3.421 1.00 0.00 C ATOM 921 CD1 ILE A 57 3.586 -17.545 -5.621 1.00 0.00 C ATOM 0 HA ILE A 57 1.733 -13.853 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 57 4.585 -14.928 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.877 -16.279 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.053 -15.905 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.897 -16.327 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.829 -14.592 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.329 -15.486 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.116 -18.271 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.650 -17.481 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.455 -17.861 -4.586 1.00 0.00 H new ATOM 933 N ILE A 58 2.361 -11.695 -3.978 1.00 0.00 N ATOM 934 CA ILE A 58 2.594 -10.648 -2.989 1.00 0.00 C ATOM 935 C ILE A 58 2.495 -11.283 -1.593 1.00 0.00 C ATOM 936 O ILE A 58 1.672 -12.181 -1.386 1.00 0.00 O ATOM 937 CB ILE A 58 1.525 -9.503 -3.141 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.493 -8.975 -4.611 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.794 -8.360 -2.143 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.429 -7.929 -4.911 1.00 0.00 C ATOM 0 H ILE A 58 1.403 -11.717 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 58 3.580 -10.208 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 58 0.544 -9.918 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.469 -8.552 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.342 -9.823 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.041 -7.582 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.748 -8.747 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.783 -7.941 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.495 -7.632 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.558 -8.347 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.587 -7.057 -4.276 1.00 0.00 H new ATOM 952 N THR A 59 3.340 -10.841 -0.652 1.00 0.00 N ATOM 953 CA THR A 59 3.321 -11.311 0.746 1.00 0.00 C ATOM 954 C THR A 59 3.042 -10.136 1.697 1.00 0.00 C ATOM 955 O THR A 59 3.082 -8.967 1.281 1.00 0.00 O ATOM 956 CB THR A 59 4.677 -12.006 1.120 1.00 0.00 C ATOM 957 OG1 THR A 59 5.768 -11.097 0.957 1.00 0.00 O ATOM 958 CG2 THR A 59 4.938 -13.254 0.264 1.00 0.00 C ATOM 0 H THR A 59 4.061 -10.144 -0.837 1.00 0.00 H new ATOM 0 HA THR A 59 2.523 -12.046 0.850 1.00 0.00 H new ATOM 0 HB THR A 59 4.598 -12.311 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.606 -11.545 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.887 -13.704 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.134 -13.974 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.979 -12.972 -0.788 1.00 0.00 H new ATOM 966 N ARG A 60 2.718 -10.449 2.966 1.00 0.00 N ATOM 967 CA ARG A 60 2.601 -9.437 4.024 1.00 0.00 C ATOM 968 C ARG A 60 4.018 -8.933 4.379 1.00 0.00 C ATOM 969 O ARG A 60 4.864 -9.705 4.848 1.00 0.00 O ATOM 970 CB ARG A 60 1.868 -10.008 5.272 1.00 0.00 C ATOM 971 CG ARG A 60 1.819 -9.041 6.482 1.00 0.00 C ATOM 972 CD ARG A 60 1.090 -9.629 7.707 1.00 0.00 C ATOM 973 NE ARG A 60 -0.379 -9.561 7.586 1.00 0.00 N ATOM 974 CZ ARG A 60 -1.215 -10.608 7.490 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.744 -11.836 7.293 1.00 0.00 N ATOM 976 NH2 ARG A 60 -2.523 -10.408 7.558 1.00 0.00 N ATOM 0 H ARG A 60 2.532 -11.401 3.281 1.00 0.00 H new ATOM 0 HA ARG A 60 1.999 -8.601 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.848 -10.271 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.362 -10.930 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.837 -8.776 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.322 -8.119 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.391 -10.668 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.401 -9.091 8.602 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.799 -8.632 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.261 -11.990 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.388 -12.624 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.889 -9.464 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.164 -11.198 7.486 1.00 0.00 H new ATOM 990 N GLY A 61 4.259 -7.641 4.112 1.00 0.00 N ATOM 991 CA GLY A 61 5.574 -7.021 4.276 1.00 0.00 C ATOM 992 C GLY A 61 6.315 -6.868 2.960 1.00 0.00 C ATOM 993 O GLY A 61 7.457 -6.406 2.953 1.00 0.00 O ATOM 0 H GLY A 61 3.542 -6.998 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.455 -6.041 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.173 -7.624 4.958 1.00 0.00 H new ATOM 997 N ALA A 62 5.663 -7.263 1.848 1.00 0.00 N ATOM 998 CA ALA A 62 6.219 -7.098 0.494 1.00 0.00 C ATOM 999 C ALA A 62 5.908 -5.697 -0.035 1.00 0.00 C ATOM 1000 O ALA A 62 4.764 -5.223 0.085 1.00 0.00 O ATOM 1001 CB ALA A 62 5.663 -8.159 -0.469 1.00 0.00 C ATOM 0 H ALA A 62 4.743 -7.702 1.865 1.00 0.00 H new ATOM 0 HA ALA A 62 7.299 -7.228 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.092 -8.011 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.924 -9.153 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.578 -8.066 -0.525 1.00 0.00 H new ATOM 1007 N VAL A 63 6.931 -5.032 -0.588 1.00 0.00 N ATOM 1008 CA VAL A 63 6.764 -3.736 -1.232 1.00 0.00 C ATOM 1009 C VAL A 63 6.197 -3.936 -2.654 1.00 0.00 C ATOM 1010 O VAL A 63 6.732 -4.711 -3.451 1.00 0.00 O ATOM 1011 CB VAL A 63 8.117 -2.935 -1.273 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.947 -1.536 -1.906 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.727 -2.813 0.138 1.00 0.00 C ATOM 0 H VAL A 63 7.890 -5.380 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 63 6.060 -3.145 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 63 8.801 -3.501 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.907 -1.020 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.585 -1.641 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.229 -0.958 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.662 -2.255 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.030 -2.289 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.921 -3.808 0.538 1.00 0.00 H new ATOM 1023 N VAL A 64 5.083 -3.261 -2.932 1.00 0.00 N ATOM 1024 CA VAL A 64 4.436 -3.257 -4.249 1.00 0.00 C ATOM 1025 C VAL A 64 4.473 -1.836 -4.820 1.00 0.00 C ATOM 1026 O VAL A 64 4.436 -0.848 -4.063 1.00 0.00 O ATOM 1027 CB VAL A 64 2.950 -3.781 -4.184 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.918 -5.283 -3.833 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.084 -2.966 -3.187 1.00 0.00 C ATOM 0 H VAL A 64 4.595 -2.692 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 64 4.985 -3.938 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 64 2.516 -3.642 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.884 -5.625 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.457 -5.846 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.390 -5.440 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.069 -3.364 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.513 -3.040 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.061 -1.921 -3.495 1.00 0.00 H new ATOM 1039 N GLU A 65 4.566 -1.743 -6.152 1.00 0.00 N ATOM 1040 CA GLU A 65 4.623 -0.463 -6.856 1.00 0.00 C ATOM 1041 C GLU A 65 3.187 0.014 -7.060 1.00 0.00 C ATOM 1042 O GLU A 65 2.374 -0.723 -7.618 1.00 0.00 O ATOM 1043 CB GLU A 65 5.348 -0.621 -8.213 1.00 0.00 C ATOM 1044 CG GLU A 65 5.493 0.701 -8.998 1.00 0.00 C ATOM 1045 CD GLU A 65 6.147 0.519 -10.373 1.00 0.00 C ATOM 1046 OE1 GLU A 65 5.515 -0.090 -11.254 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.291 0.980 -10.579 1.00 0.00 O ATOM 0 H GLU A 65 4.604 -2.554 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 65 5.184 0.268 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.339 -1.040 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.802 -1.339 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.508 1.149 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.086 1.402 -8.411 1.00 0.00 H new ATOM 1054 N THR A 66 2.858 1.218 -6.563 1.00 0.00 N ATOM 1055 CA THR A 66 1.498 1.770 -6.659 1.00 0.00 C ATOM 1056 C THR A 66 1.548 3.183 -7.233 1.00 0.00 C ATOM 1057 O THR A 66 2.633 3.724 -7.491 1.00 0.00 O ATOM 1058 CB THR A 66 0.779 1.793 -5.266 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.443 2.717 -4.388 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.723 0.400 -4.608 1.00 0.00 C ATOM 0 H THR A 66 3.521 1.830 -6.088 1.00 0.00 H new ATOM 0 HA THR A 66 0.926 1.121 -7.322 1.00 0.00 H new ATOM 0 HB THR A 66 -0.248 2.113 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.390 2.476 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.215 0.472 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.178 -0.287 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.736 0.028 -4.456 1.00 0.00 H new ATOM 1068 N ASN A 67 0.353 3.769 -7.427 1.00 0.00 N ATOM 1069 CA ASN A 67 0.185 5.143 -7.927 1.00 0.00 C ATOM 1070 C ASN A 67 0.725 6.175 -6.922 1.00 0.00 C ATOM 1071 O ASN A 67 1.085 7.291 -7.309 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.310 5.427 -8.224 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.924 4.494 -9.271 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.548 3.326 -9.387 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.868 5.002 -10.043 1.00 0.00 N ATOM 0 H ASN A 67 -0.531 3.296 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 67 0.759 5.235 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.877 5.340 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.413 6.457 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.307 4.424 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.158 5.973 -9.923 1.00 0.00 H new ATOM 1082 N LEU A 68 0.800 5.791 -5.632 1.00 0.00 N ATOM 1083 CA LEU A 68 1.278 6.674 -4.557 1.00 0.00 C ATOM 1084 C LEU A 68 2.785 6.473 -4.312 1.00 0.00 C ATOM 1085 O LEU A 68 3.505 7.449 -4.058 1.00 0.00 O ATOM 1086 CB LEU A 68 0.444 6.441 -3.270 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.047 6.927 -3.344 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.832 6.573 -2.060 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.129 8.450 -3.632 1.00 0.00 C ATOM 0 H LEU A 68 0.531 4.861 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 68 1.141 7.712 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.451 5.376 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.935 6.950 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.514 6.396 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.859 6.927 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.832 5.492 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.360 7.050 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.174 8.756 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.625 8.998 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.646 8.667 -4.585 1.00 0.00 H new ATOM 1101 N GLY A 69 3.260 5.215 -4.385 1.00 0.00 N ATOM 1102 CA GLY A 69 4.700 4.929 -4.294 1.00 0.00 C ATOM 1103 C GLY A 69 5.002 3.545 -3.735 1.00 0.00 C ATOM 1104 O GLY A 69 4.267 2.582 -4.008 1.00 0.00 O ATOM 0 H GLY A 69 2.673 4.390 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.145 5.019 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.174 5.680 -3.662 1.00 0.00 H new ATOM 1108 N ASN A 70 6.127 3.441 -2.998 1.00 0.00 N ATOM 1109 CA ASN A 70 6.555 2.204 -2.314 1.00 0.00 C ATOM 1110 C ASN A 70 5.583 1.893 -1.161 1.00 0.00 C ATOM 1111 O ASN A 70 5.544 2.625 -0.180 1.00 0.00 O ATOM 1112 CB ASN A 70 8.004 2.374 -1.744 1.00 0.00 C ATOM 1113 CG ASN A 70 9.075 2.732 -2.791 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.990 3.512 -2.515 1.00 0.00 O ATOM 1115 ND2 ASN A 70 9.007 2.159 -3.980 1.00 0.00 N ATOM 0 H ASN A 70 6.770 4.221 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 70 6.551 1.383 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.989 3.151 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.295 1.447 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.717 2.360 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.244 1.516 -4.193 1.00 0.00 H new ATOM 1122 N VAL A 71 4.756 0.842 -1.296 1.00 0.00 N ATOM 1123 CA VAL A 71 3.769 0.462 -0.257 1.00 0.00 C ATOM 1124 C VAL A 71 4.043 -0.962 0.245 1.00 0.00 C ATOM 1125 O VAL A 71 4.290 -1.849 -0.555 1.00 0.00 O ATOM 1126 CB VAL A 71 2.304 0.546 -0.842 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.236 0.104 0.179 1.00 0.00 C ATOM 1128 CG2 VAL A 71 2.006 1.966 -1.360 1.00 0.00 C ATOM 0 H VAL A 71 4.748 0.235 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 71 3.862 1.156 0.578 1.00 0.00 H new ATOM 0 HB VAL A 71 2.254 -0.152 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.247 0.181 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.421 -0.929 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.284 0.747 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.992 2.003 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.100 2.679 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.715 2.222 -2.147 1.00 0.00 H new ATOM 1138 N ARG A 72 3.954 -1.182 1.572 1.00 0.00 N ATOM 1139 CA ARG A 72 4.080 -2.532 2.169 1.00 0.00 C ATOM 1140 C ARG A 72 2.719 -3.048 2.598 1.00 0.00 C ATOM 1141 O ARG A 72 1.997 -2.366 3.321 1.00 0.00 O ATOM 1142 CB ARG A 72 5.067 -2.567 3.366 1.00 0.00 C ATOM 1143 CG ARG A 72 6.502 -2.967 2.959 1.00 0.00 C ATOM 1144 CD ARG A 72 7.430 -3.236 4.153 1.00 0.00 C ATOM 1145 NE ARG A 72 8.763 -3.666 3.687 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.893 -2.955 3.794 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.918 -1.824 4.477 1.00 0.00 N ATOM 1148 NH2 ARG A 72 11.002 -3.397 3.228 1.00 0.00 N ATOM 0 H ARG A 72 3.795 -0.441 2.255 1.00 0.00 H new ATOM 0 HA ARG A 72 4.490 -3.183 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.091 -1.585 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.698 -3.271 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.458 -3.860 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.932 -2.173 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.524 -2.334 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.996 -4.005 4.792 1.00 0.00 H new ATOM 0 HE ARG A 72 8.829 -4.583 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.070 -1.483 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.785 -1.292 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.996 -4.277 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.865 -2.858 3.307 1.00 0.00 H new ATOM 1162 N VAL A 73 2.417 -4.276 2.172 1.00 0.00 N ATOM 1163 CA VAL A 73 1.149 -4.936 2.452 1.00 0.00 C ATOM 1164 C VAL A 73 1.075 -5.342 3.938 1.00 0.00 C ATOM 1165 O VAL A 73 1.947 -6.050 4.447 1.00 0.00 O ATOM 1166 CB VAL A 73 0.968 -6.171 1.507 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.303 -6.979 1.849 1.00 0.00 C ATOM 1168 CG2 VAL A 73 0.961 -5.699 0.034 1.00 0.00 C ATOM 0 H VAL A 73 3.057 -4.844 1.616 1.00 0.00 H new ATOM 0 HA VAL A 73 0.331 -4.243 2.258 1.00 0.00 H new ATOM 0 HB VAL A 73 1.810 -6.846 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.389 -7.826 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.238 -7.342 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.180 -6.340 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.835 -6.559 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.138 -5.001 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.905 -5.204 -0.194 1.00 0.00 H new ATOM 1178 N THR A 74 0.033 -4.857 4.617 1.00 0.00 N ATOM 1179 CA THR A 74 -0.161 -5.037 6.066 1.00 0.00 C ATOM 1180 C THR A 74 -1.178 -6.149 6.352 1.00 0.00 C ATOM 1181 O THR A 74 -1.200 -6.712 7.450 1.00 0.00 O ATOM 1182 CB THR A 74 -0.646 -3.701 6.692 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.832 -3.259 6.002 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.443 -2.612 6.614 1.00 0.00 C ATOM 0 H THR A 74 -0.713 -4.320 4.174 1.00 0.00 H new ATOM 0 HA THR A 74 0.791 -5.327 6.511 1.00 0.00 H new ATOM 0 HB THR A 74 -0.867 -3.873 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.144 -2.417 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.069 -1.691 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.329 -2.944 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.701 -2.430 5.571 1.00 0.00 H new ATOM 1192 N SER A 75 -2.032 -6.432 5.359 1.00 0.00 N ATOM 1193 CA SER A 75 -3.091 -7.448 5.457 1.00 0.00 C ATOM 1194 C SER A 75 -2.700 -8.706 4.656 1.00 0.00 C ATOM 1195 O SER A 75 -1.555 -8.819 4.195 1.00 0.00 O ATOM 1196 CB SER A 75 -4.413 -6.831 4.937 1.00 0.00 C ATOM 1197 OG SER A 75 -5.523 -7.673 5.173 1.00 0.00 O ATOM 0 H SER A 75 -2.008 -5.958 4.456 1.00 0.00 H new ATOM 0 HA SER A 75 -3.226 -7.755 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.579 -5.869 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.326 -6.638 3.868 1.00 0.00 H new ATOM 0 HG SER A 75 -6.336 -7.246 4.832 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.635 -9.673 4.546 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.497 -10.809 3.623 1.00 0.00 C ATOM 1205 C ARG A 76 -3.750 -10.308 2.185 1.00 0.00 C ATOM 1206 O ARG A 76 -4.815 -9.732 1.929 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.477 -11.965 3.973 1.00 0.00 C ATOM 1208 CG ARG A 76 -4.162 -12.701 5.297 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.988 -13.990 5.470 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.537 -14.795 6.618 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.859 -16.088 6.833 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.684 -16.736 6.016 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -4.350 -16.728 7.882 1.00 0.00 N ATOM 0 H ARG A 76 -4.497 -9.685 5.091 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.488 -11.211 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.488 -11.562 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.468 -12.690 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.101 -12.947 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.359 -12.033 6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.038 -13.730 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.919 -14.588 4.561 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.935 -14.340 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.085 -16.256 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.916 -17.713 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.720 -16.242 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.590 -17.705 8.049 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.753 -10.458 1.247 1.00 0.00 N ATOM 1228 CA PRO A 77 -2.901 -10.045 -0.172 1.00 0.00 C ATOM 1229 C PRO A 77 -4.140 -10.668 -0.856 1.00 0.00 C ATOM 1230 O PRO A 77 -4.151 -11.856 -1.202 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.576 -10.512 -0.833 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.600 -10.518 0.306 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.389 -10.997 1.505 1.00 0.00 C ATOM 0 HA PRO A 77 -3.067 -8.972 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.677 -11.501 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.263 -9.834 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.242 -11.179 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.189 -9.523 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.392 -12.085 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.975 -10.616 2.439 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.197 -9.845 -0.988 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.444 -10.254 -1.621 1.00 0.00 C ATOM 1243 C GLY A 78 -7.360 -11.002 -0.664 1.00 0.00 C ATOM 1244 O GLY A 78 -7.886 -12.062 -1.012 1.00 0.00 O ATOM 0 H GLY A 78 -5.201 -8.881 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.961 -9.373 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.222 -10.889 -2.479 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.546 -10.436 0.548 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.408 -11.023 1.600 1.00 0.00 C ATOM 1250 C GLN A 79 -9.881 -11.038 1.142 1.00 0.00 C ATOM 1251 O GLN A 79 -10.509 -12.102 1.057 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.235 -10.240 2.941 1.00 0.00 C ATOM 1253 CG GLN A 79 -9.128 -10.720 4.118 1.00 0.00 C ATOM 1254 CD GLN A 79 -8.907 -12.185 4.530 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.817 -12.740 4.382 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -9.945 -12.827 5.051 1.00 0.00 N ATOM 0 H GLN A 79 -7.104 -9.560 0.826 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.103 -12.055 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.192 -10.308 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.445 -9.187 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.943 -10.081 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.174 -10.587 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.838 -12.346 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.850 -13.801 5.339 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.407 -9.846 0.822 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.772 -9.673 0.263 1.00 0.00 C ATOM 1267 C ASP A 80 -11.700 -9.528 -1.267 1.00 0.00 C ATOM 1268 O ASP A 80 -12.656 -9.082 -1.907 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.454 -8.425 0.899 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.542 -8.500 2.435 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -13.507 -9.083 2.972 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -11.642 -7.966 3.114 1.00 0.00 O ATOM 0 H ASP A 80 -9.903 -8.968 0.941 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.369 -10.554 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.898 -7.531 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.458 -8.319 0.488 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.544 -9.918 -1.844 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.252 -9.712 -3.265 1.00 0.00 C ATOM 1279 C GLY A 81 -9.355 -8.501 -3.461 1.00 0.00 C ATOM 1280 O GLY A 81 -8.657 -8.383 -4.475 1.00 0.00 O ATOM 0 H GLY A 81 -9.793 -10.383 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.768 -10.599 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.182 -9.574 -3.816 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.354 -7.612 -2.446 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.581 -6.361 -2.434 1.00 0.00 C ATOM 1286 C VAL A 82 -7.458 -6.487 -1.382 1.00 0.00 C ATOM 1287 O VAL A 82 -7.529 -7.334 -0.482 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.528 -5.132 -2.134 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.143 -5.198 -0.721 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.835 -3.777 -2.389 1.00 0.00 C ATOM 0 H VAL A 82 -9.902 -7.750 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.131 -6.186 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.351 -5.205 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.786 -4.332 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.732 -6.110 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.346 -5.199 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.529 -2.966 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.959 -3.690 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.527 -3.716 -3.433 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.410 -5.677 -1.524 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.234 -5.700 -0.635 1.00 0.00 C ATOM 1302 C ILE A 83 -5.198 -4.416 0.218 1.00 0.00 C ATOM 1303 O ILE A 83 -5.759 -3.399 -0.180 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.918 -5.863 -1.493 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.043 -7.113 -2.440 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.667 -5.966 -0.603 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -2.760 -7.588 -3.109 1.00 0.00 C ATOM 0 H ILE A 83 -6.346 -4.978 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.301 -6.551 0.042 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.801 -4.969 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.453 -7.941 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.768 -6.880 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.782 -6.077 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.574 -5.062 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.758 -6.832 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.975 -8.454 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.353 -6.787 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.032 -7.864 -2.346 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.614 -4.490 1.433 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.361 -3.295 2.283 1.00 0.00 C ATOM 1321 C ASN A 84 -2.852 -3.144 2.515 1.00 0.00 C ATOM 1322 O ASN A 84 -2.135 -4.149 2.587 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.087 -3.412 3.648 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.604 -3.544 3.528 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.226 -2.973 2.630 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.220 -4.295 4.434 1.00 0.00 N ATOM 0 H ASN A 84 -4.306 -5.367 1.853 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.749 -2.418 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.697 -4.278 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.854 -2.533 4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.233 -4.411 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.680 -4.756 5.166 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.385 -1.887 2.650 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.961 -1.603 2.862 1.00 0.00 C ATOM 1335 C GLY A 85 -0.705 -0.207 3.421 1.00 0.00 C ATOM 1336 O GLY A 85 -1.650 0.544 3.667 1.00 0.00 O ATOM 0 H GLY A 85 -2.976 -1.057 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.547 -2.343 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.430 -1.712 1.916 1.00 0.00 H new ATOM 1340 N VAL A 86 0.586 0.137 3.646 1.00 0.00 N ATOM 1341 CA VAL A 86 1.003 1.453 4.184 1.00 0.00 C ATOM 1342 C VAL A 86 2.018 2.146 3.253 1.00 0.00 C ATOM 1343 O VAL A 86 2.947 1.508 2.746 1.00 0.00 O ATOM 1344 CB VAL A 86 1.602 1.351 5.646 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.496 1.053 6.680 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.742 0.302 5.721 1.00 0.00 C ATOM 0 H VAL A 86 1.368 -0.491 3.459 1.00 0.00 H new ATOM 0 HA VAL A 86 0.097 2.057 4.236 1.00 0.00 H new ATOM 0 HB VAL A 86 2.035 2.320 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.936 0.988 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.244 1.853 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.014 0.107 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.130 0.258 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.355 -0.677 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.543 0.586 5.039 1.00 0.00 H new ATOM 1356 N LEU A 87 1.823 3.466 3.041 1.00 0.00 N ATOM 1357 CA LEU A 87 2.662 4.276 2.138 1.00 0.00 C ATOM 1358 C LEU A 87 3.991 4.653 2.812 1.00 0.00 C ATOM 1359 O LEU A 87 4.044 5.520 3.690 1.00 0.00 O ATOM 1360 CB LEU A 87 1.917 5.565 1.701 1.00 0.00 C ATOM 1361 CG LEU A 87 2.683 6.494 0.697 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.051 5.742 -0.606 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.872 7.772 0.394 1.00 0.00 C ATOM 0 H LEU A 87 1.079 3.998 3.492 1.00 0.00 H new ATOM 0 HA LEU A 87 2.873 3.672 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.969 5.277 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.680 6.144 2.593 1.00 0.00 H new ATOM 0 HG LEU A 87 3.616 6.795 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.581 6.417 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.690 4.892 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.141 5.387 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.427 8.398 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.913 7.499 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.703 8.323 1.319 1.00 0.00 H new ATOM 1375 N ILE A 88 5.057 3.997 2.379 1.00 0.00 N ATOM 1376 CA ILE A 88 6.414 4.207 2.898 1.00 0.00 C ATOM 1377 C ILE A 88 7.352 4.582 1.743 1.00 0.00 C ATOM 1378 O ILE A 88 6.904 4.831 0.626 1.00 0.00 O ATOM 1379 CB ILE A 88 6.911 2.917 3.642 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.921 1.685 2.676 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.039 2.633 4.897 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.405 0.402 3.307 1.00 0.00 C ATOM 0 H ILE A 88 5.010 3.290 1.645 1.00 0.00 H new ATOM 0 HA ILE A 88 6.410 5.026 3.617 1.00 0.00 H new ATOM 0 HB ILE A 88 7.934 3.091 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.912 1.530 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.554 1.916 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.402 1.735 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.100 3.479 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.002 2.486 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.379 -0.399 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.427 0.535 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.759 0.143 4.146 1.00 0.00 H new ATOM 1394 N ARG A 89 8.657 4.664 2.029 1.00 0.00 N ATOM 1395 CA ARG A 89 9.689 5.030 1.039 1.00 0.00 C ATOM 1396 C ARG A 89 10.826 4.012 1.178 1.00 0.00 C ATOM 1397 O ARG A 89 11.488 3.983 2.211 1.00 0.00 O ATOM 1398 CB ARG A 89 10.237 6.483 1.272 1.00 0.00 C ATOM 1399 CG ARG A 89 9.316 7.658 0.832 1.00 0.00 C ATOM 1400 CD ARG A 89 8.102 7.895 1.751 1.00 0.00 C ATOM 1401 NE ARG A 89 8.487 8.201 3.142 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.634 8.295 4.182 1.00 0.00 C ATOM 1403 NH1 ARG A 89 6.337 8.019 4.043 1.00 0.00 N ATOM 1404 NH2 ARG A 89 8.091 8.663 5.363 1.00 0.00 N ATOM 0 H ARG A 89 9.034 4.478 2.958 1.00 0.00 H new ATOM 0 HA ARG A 89 9.258 5.016 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.452 6.599 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.185 6.578 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.909 8.572 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.958 7.464 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.507 8.718 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.467 7.009 1.741 1.00 0.00 H new ATOM 0 HE ARG A 89 9.477 8.354 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.972 7.730 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.710 8.097 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.082 8.874 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.454 8.737 6.156 1.00 0.00 H new ATOM 1418 N GLU A 90 11.013 3.140 0.171 1.00 0.00 N ATOM 1419 CA GLU A 90 12.063 2.090 0.194 1.00 0.00 C ATOM 1420 C GLU A 90 13.080 2.339 -0.918 1.00 0.00 C ATOM 1421 O GLU A 90 14.265 2.564 -0.654 1.00 0.00 O ATOM 1422 CB GLU A 90 11.431 0.674 0.057 1.00 0.00 C ATOM 1423 CG GLU A 90 10.445 0.314 1.185 1.00 0.00 C ATOM 1424 CD GLU A 90 11.051 0.453 2.597 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.913 -0.371 2.973 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.676 1.386 3.338 1.00 0.00 O ATOM 0 H GLU A 90 10.448 3.138 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 90 12.579 2.136 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.912 0.611 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.229 -0.068 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.568 0.957 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.102 -0.711 1.044 1.00 0.00 H new ATOM 1433 N LEU A 91 12.612 2.327 -2.170 1.00 0.00 N ATOM 1434 CA LEU A 91 13.466 2.572 -3.346 1.00 0.00 C ATOM 1435 C LEU A 91 13.851 4.059 -3.424 1.00 0.00 C ATOM 1436 O LEU A 91 14.910 4.409 -3.956 1.00 0.00 O ATOM 1437 CB LEU A 91 12.752 2.101 -4.637 1.00 0.00 C ATOM 1438 CG LEU A 91 12.227 0.623 -4.631 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.603 0.242 -5.988 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.334 -0.384 -4.235 1.00 0.00 C ATOM 0 H LEU A 91 11.635 2.148 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 91 14.385 1.995 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.908 2.765 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.441 2.218 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 91 11.447 0.569 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.249 -0.788 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.765 0.905 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.353 0.339 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.926 -1.395 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.157 -0.318 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.699 -0.149 -3.235 1.00 0.00 H new