USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 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= -1.3 K(o=-2.7,f=-4.5!) USER MOD Set 1.2: A 75 SER OG : rot 110:sc= -0.0461 USER MOD Set 1.3: A 79 GLN : amide:sc= -0.327 K(o=-2.7,f=-3.7) USER MOD Set 1.4: A 84 ASN : amide:sc= -1.04 K(o=-2.7,f=-7.1!) USER MOD Single : A 23 THR OG1 : rot 35:sc= 0.096 USER MOD Single : A 32 THR OG1 : rot -67:sc= 0.368 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= -0.0146 (180deg=-0.124) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -47:sc= 1.2 USER MOD Single : A 67 ASN : amide:sc= 0.526 K(o=0.53,f=-3.8!) USER MOD Single : A 70 ASN : amide:sc= 0.275 K(o=0.27,f=-8.3!) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.461 USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.633 -4.838 -10.367 1.00 0.00 N ATOM 367 CA THR A 23 -5.273 -5.147 -8.972 1.00 0.00 C ATOM 368 C THR A 23 -5.017 -3.853 -8.200 1.00 0.00 C ATOM 369 O THR A 23 -4.129 -3.078 -8.558 1.00 0.00 O ATOM 370 CB THR A 23 -4.033 -6.091 -8.894 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.308 -7.283 -9.644 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.684 -6.483 -7.443 1.00 0.00 C ATOM 0 HA THR A 23 -6.111 -5.674 -8.515 1.00 0.00 H new ATOM 0 HB THR A 23 -3.180 -5.553 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.857 -7.059 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.814 -7.140 -7.443 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.460 -5.585 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.531 -7.001 -6.992 1.00 0.00 H new ATOM 380 N ARG A 24 -5.834 -3.622 -7.165 1.00 0.00 N ATOM 381 CA ARG A 24 -5.755 -2.425 -6.313 1.00 0.00 C ATOM 382 C ARG A 24 -5.365 -2.810 -4.879 1.00 0.00 C ATOM 383 O ARG A 24 -5.460 -3.978 -4.484 1.00 0.00 O ATOM 384 CB ARG A 24 -7.118 -1.684 -6.308 1.00 0.00 C ATOM 385 CG ARG A 24 -7.671 -1.336 -7.707 1.00 0.00 C ATOM 386 CD ARG A 24 -8.999 -0.563 -7.636 1.00 0.00 C ATOM 387 NE ARG A 24 -9.656 -0.433 -8.957 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.067 0.719 -9.515 1.00 0.00 C ATOM 389 NH1 ARG A 24 -9.709 1.893 -9.004 1.00 0.00 N ATOM 390 NH2 ARG A 24 -10.781 0.698 -10.638 1.00 0.00 N ATOM 0 H ARG A 24 -6.576 -4.266 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.989 -1.763 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.849 -2.302 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.013 -0.763 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.935 -0.741 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.818 -2.254 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.674 -1.071 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.815 0.430 -7.227 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.810 -1.290 -9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.114 1.929 -8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.029 2.758 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.017 -0.193 -11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.092 1.572 -11.061 1.00 0.00 H new ATOM 404 N ILE A 25 -4.932 -1.804 -4.107 1.00 0.00 N ATOM 405 CA ILE A 25 -4.599 -1.945 -2.685 1.00 0.00 C ATOM 406 C ILE A 25 -5.068 -0.683 -1.938 1.00 0.00 C ATOM 407 O ILE A 25 -4.881 0.433 -2.430 1.00 0.00 O ATOM 408 CB ILE A 25 -3.046 -2.185 -2.485 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.662 -2.356 -0.980 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.211 -1.056 -3.135 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.235 -2.819 -0.730 1.00 0.00 C ATOM 0 H ILE A 25 -4.802 -0.856 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.111 -2.817 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.809 -3.121 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.814 -1.404 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.346 -3.073 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.150 -1.252 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.420 -1.019 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.474 -0.101 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.064 -2.908 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.079 -3.788 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.538 -2.093 -1.149 1.00 0.00 H new ATOM 423 N ASN A 26 -5.706 -0.860 -0.771 1.00 0.00 N ATOM 424 CA ASN A 26 -6.145 0.271 0.060 1.00 0.00 C ATOM 425 C ASN A 26 -4.956 0.675 0.941 1.00 0.00 C ATOM 426 O ASN A 26 -4.621 -0.020 1.912 1.00 0.00 O ATOM 427 CB ASN A 26 -7.372 -0.104 0.924 1.00 0.00 C ATOM 428 CG ASN A 26 -8.537 -0.673 0.108 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.412 0.050 -0.360 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.548 -1.977 -0.078 1.00 0.00 N ATOM 0 H ASN A 26 -5.929 -1.776 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.457 1.103 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.070 -0.836 1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.712 0.780 1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.295 -2.408 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.809 -2.555 0.322 1.00 0.00 H new ATOM 437 N VAL A 27 -4.300 1.773 0.563 1.00 0.00 N ATOM 438 CA VAL A 27 -3.038 2.217 1.164 1.00 0.00 C ATOM 439 C VAL A 27 -3.322 3.188 2.315 1.00 0.00 C ATOM 440 O VAL A 27 -4.121 4.113 2.163 1.00 0.00 O ATOM 441 CB VAL A 27 -2.133 2.927 0.091 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.771 3.347 0.687 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.946 2.034 -1.153 1.00 0.00 C ATOM 0 H VAL A 27 -4.633 2.388 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.512 1.342 1.545 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.646 3.836 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.172 3.834 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.933 4.039 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.245 2.464 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.317 2.549 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.471 1.097 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.918 1.824 -1.600 1.00 0.00 H new ATOM 453 N VAL A 28 -2.656 2.967 3.446 1.00 0.00 N ATOM 454 CA VAL A 28 -2.777 3.804 4.645 1.00 0.00 C ATOM 455 C VAL A 28 -1.471 4.577 4.820 1.00 0.00 C ATOM 456 O VAL A 28 -0.436 3.980 5.117 1.00 0.00 O ATOM 457 CB VAL A 28 -3.050 2.918 5.925 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.262 3.787 7.186 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.240 1.951 5.697 1.00 0.00 C ATOM 0 H VAL A 28 -2.006 2.190 3.561 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.616 4.490 4.527 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.161 2.312 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.447 3.142 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.371 4.388 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.118 4.445 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.402 1.356 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.139 2.526 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.017 1.290 4.859 1.00 0.00 H new ATOM 469 N ASP A 29 -1.508 5.893 4.598 1.00 0.00 N ATOM 470 CA ASP A 29 -0.335 6.750 4.815 1.00 0.00 C ATOM 471 C ASP A 29 -0.031 6.767 6.330 1.00 0.00 C ATOM 472 O ASP A 29 -0.882 7.190 7.111 1.00 0.00 O ATOM 473 CB ASP A 29 -0.559 8.183 4.274 1.00 0.00 C ATOM 474 CG ASP A 29 0.759 8.974 4.174 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.201 9.564 5.188 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.382 8.979 3.086 1.00 0.00 O ATOM 0 H ASP A 29 -2.336 6.390 4.268 1.00 0.00 H new ATOM 0 HA ASP A 29 0.515 6.348 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.026 8.130 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.252 8.713 4.928 1.00 0.00 H new ATOM 481 N PRO A 30 1.178 6.299 6.760 1.00 0.00 N ATOM 482 CA PRO A 30 1.465 5.986 8.185 1.00 0.00 C ATOM 483 C PRO A 30 1.456 7.223 9.104 1.00 0.00 C ATOM 484 O PRO A 30 1.047 7.139 10.271 1.00 0.00 O ATOM 485 CB PRO A 30 2.871 5.326 8.122 1.00 0.00 C ATOM 486 CG PRO A 30 3.501 5.902 6.890 1.00 0.00 C ATOM 487 CD PRO A 30 2.367 6.058 5.900 1.00 0.00 C ATOM 0 HA PRO A 30 0.698 5.346 8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.457 5.555 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.797 4.240 8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.974 6.861 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.277 5.243 6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.543 6.890 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.244 5.164 5.288 1.00 0.00 H new ATOM 495 N GLU A 31 1.893 8.370 8.565 1.00 0.00 N ATOM 496 CA GLU A 31 2.118 9.600 9.355 1.00 0.00 C ATOM 497 C GLU A 31 0.917 10.554 9.327 1.00 0.00 C ATOM 498 O GLU A 31 0.592 11.163 10.356 1.00 0.00 O ATOM 499 CB GLU A 31 3.415 10.300 8.876 1.00 0.00 C ATOM 500 CG GLU A 31 3.509 10.540 7.358 1.00 0.00 C ATOM 501 CD GLU A 31 4.917 10.952 6.911 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.253 12.152 6.986 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.700 10.067 6.493 1.00 0.00 O ATOM 0 H GLU A 31 2.101 8.476 7.572 1.00 0.00 H new ATOM 0 HA GLU A 31 2.237 9.307 10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.500 11.260 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.269 9.698 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.216 9.631 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.800 11.317 7.072 1.00 0.00 H new ATOM 510 N THR A 32 0.273 10.708 8.161 1.00 0.00 N ATOM 511 CA THR A 32 -0.901 11.594 8.014 1.00 0.00 C ATOM 512 C THR A 32 -2.217 10.843 8.304 1.00 0.00 C ATOM 513 O THR A 32 -3.238 11.474 8.596 1.00 0.00 O ATOM 514 CB THR A 32 -0.962 12.235 6.593 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.141 11.214 5.602 1.00 0.00 O ATOM 516 CG2 THR A 32 0.310 13.045 6.278 1.00 0.00 C ATOM 0 H THR A 32 0.543 10.231 7.301 1.00 0.00 H new ATOM 0 HA THR A 32 -0.786 12.390 8.749 1.00 0.00 H new ATOM 0 HB THR A 32 -1.810 12.919 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.336 10.657 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.229 13.476 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.423 13.845 7.010 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.179 12.389 6.321 1.00 0.00 H new ATOM 524 N GLY A 33 -2.183 9.500 8.200 1.00 0.00 N ATOM 525 CA GLY A 33 -3.362 8.652 8.447 1.00 0.00 C ATOM 526 C GLY A 33 -4.311 8.564 7.255 1.00 0.00 C ATOM 527 O GLY A 33 -5.370 7.930 7.355 1.00 0.00 O ATOM 0 H GLY A 33 -1.345 8.978 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.029 7.648 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.907 9.043 9.307 1.00 0.00 H new ATOM 531 N LYS A 34 -3.933 9.210 6.130 1.00 0.00 N ATOM 532 CA LYS A 34 -4.759 9.268 4.906 1.00 0.00 C ATOM 533 C LYS A 34 -4.861 7.882 4.244 1.00 0.00 C ATOM 534 O LYS A 34 -3.891 7.396 3.662 1.00 0.00 O ATOM 535 CB LYS A 34 -4.169 10.305 3.914 1.00 0.00 C ATOM 536 CG LYS A 34 -4.288 11.777 4.364 1.00 0.00 C ATOM 537 CD LYS A 34 -5.758 12.263 4.418 1.00 0.00 C ATOM 538 CE LYS A 34 -5.881 13.747 4.810 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.161 14.652 3.873 1.00 0.00 N ATOM 0 H LYS A 34 -3.046 9.706 6.046 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.765 9.581 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.116 10.074 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.671 10.193 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.835 11.890 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.724 12.410 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.223 12.109 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.311 11.655 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.935 14.025 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.487 13.886 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.387 15.641 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.136 14.501 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.456 14.447 2.897 1.00 0.00 H new ATOM 553 N VAL A 35 -6.043 7.257 4.353 1.00 0.00 N ATOM 554 CA VAL A 35 -6.348 5.983 3.686 1.00 0.00 C ATOM 555 C VAL A 35 -7.002 6.279 2.326 1.00 0.00 C ATOM 556 O VAL A 35 -7.992 7.015 2.260 1.00 0.00 O ATOM 557 CB VAL A 35 -7.305 5.074 4.560 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.531 3.689 3.906 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.766 4.918 5.996 1.00 0.00 C ATOM 0 H VAL A 35 -6.817 7.623 4.908 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.417 5.434 3.548 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.270 5.578 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.193 3.093 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.985 3.820 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.575 3.177 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.444 4.289 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.779 4.456 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.693 5.899 6.466 1.00 0.00 H new ATOM 569 N GLU A 36 -6.434 5.710 1.255 1.00 0.00 N ATOM 570 CA GLU A 36 -6.879 5.938 -0.122 1.00 0.00 C ATOM 571 C GLU A 36 -6.494 4.722 -0.974 1.00 0.00 C ATOM 572 O GLU A 36 -5.455 4.092 -0.734 1.00 0.00 O ATOM 573 CB GLU A 36 -6.232 7.239 -0.675 1.00 0.00 C ATOM 574 CG GLU A 36 -6.693 7.649 -2.094 1.00 0.00 C ATOM 575 CD GLU A 36 -6.067 8.968 -2.572 1.00 0.00 C ATOM 576 OE1 GLU A 36 -4.951 8.939 -3.139 1.00 0.00 O ATOM 577 OE2 GLU A 36 -6.681 10.045 -2.370 1.00 0.00 O ATOM 0 H GLU A 36 -5.642 5.070 1.324 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.961 6.062 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.452 8.056 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.149 7.113 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.436 6.856 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.779 7.744 -2.104 1.00 0.00 H new ATOM 584 N ILE A 37 -7.336 4.410 -1.972 1.00 0.00 N ATOM 585 CA ILE A 37 -7.143 3.247 -2.846 1.00 0.00 C ATOM 586 C ILE A 37 -6.112 3.600 -3.935 1.00 0.00 C ATOM 587 O ILE A 37 -6.149 4.697 -4.502 1.00 0.00 O ATOM 588 CB ILE A 37 -8.500 2.774 -3.499 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.597 2.574 -2.395 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.295 1.469 -4.326 1.00 0.00 C ATOM 591 CD1 ILE A 37 -10.967 2.161 -2.908 1.00 0.00 C ATOM 0 H ILE A 37 -8.168 4.957 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.773 2.418 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.841 3.550 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.248 1.818 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.701 3.505 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.245 1.164 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.570 1.651 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.927 0.678 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.652 2.049 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.347 2.925 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.886 1.212 -3.439 1.00 0.00 H new ATOM 603 N ALA A 38 -5.203 2.664 -4.210 1.00 0.00 N ATOM 604 CA ALA A 38 -4.139 2.831 -5.207 1.00 0.00 C ATOM 605 C ALA A 38 -4.181 1.677 -6.202 1.00 0.00 C ATOM 606 O ALA A 38 -4.714 0.607 -5.899 1.00 0.00 O ATOM 607 CB ALA A 38 -2.766 2.909 -4.530 1.00 0.00 C ATOM 0 H ALA A 38 -5.183 1.758 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.302 3.767 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.993 3.033 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.744 3.759 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.583 1.991 -3.972 1.00 0.00 H new ATOM 613 N GLU A 39 -3.583 1.897 -7.374 1.00 0.00 N ATOM 614 CA GLU A 39 -3.530 0.902 -8.449 1.00 0.00 C ATOM 615 C GLU A 39 -2.119 0.306 -8.438 1.00 0.00 C ATOM 616 O GLU A 39 -1.139 1.060 -8.548 1.00 0.00 O ATOM 617 CB GLU A 39 -3.820 1.576 -9.815 1.00 0.00 C ATOM 618 CG GLU A 39 -5.060 2.501 -9.841 1.00 0.00 C ATOM 619 CD GLU A 39 -6.366 1.807 -9.416 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.893 0.995 -10.205 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.871 2.071 -8.292 1.00 0.00 O ATOM 0 H GLU A 39 -3.119 2.775 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.279 0.125 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.946 2.158 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.951 0.797 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.881 3.351 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.183 2.899 -10.848 1.00 0.00 H new ATOM 628 N ILE A 40 -2.003 -1.026 -8.285 1.00 0.00 N ATOM 629 CA ILE A 40 -0.697 -1.685 -8.188 1.00 0.00 C ATOM 630 C ILE A 40 -0.073 -1.781 -9.593 1.00 0.00 C ATOM 631 O ILE A 40 -0.551 -2.530 -10.456 1.00 0.00 O ATOM 632 CB ILE A 40 -0.802 -3.109 -7.513 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.416 -2.978 -6.080 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.579 -3.816 -7.468 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.492 -4.267 -5.275 1.00 0.00 C ATOM 0 H ILE A 40 -2.799 -1.662 -8.227 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.053 -1.085 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.462 -3.729 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.827 -2.254 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.422 -2.569 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.472 -4.793 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.957 -3.941 -8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.279 -3.211 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.933 -4.061 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.109 -4.992 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.489 -4.672 -5.142 1.00 0.00 H new ATOM 647 N ARG A 41 0.989 -0.995 -9.796 1.00 0.00 N ATOM 648 CA ARG A 41 1.751 -0.948 -11.048 1.00 0.00 C ATOM 649 C ARG A 41 2.619 -2.200 -11.207 1.00 0.00 C ATOM 650 O ARG A 41 2.576 -2.865 -12.241 1.00 0.00 O ATOM 651 CB ARG A 41 2.639 0.324 -11.074 1.00 0.00 C ATOM 652 CG ARG A 41 1.863 1.653 -11.177 1.00 0.00 C ATOM 653 CD ARG A 41 2.799 2.869 -11.314 1.00 0.00 C ATOM 654 NE ARG A 41 2.074 4.074 -11.753 1.00 0.00 N ATOM 655 CZ ARG A 41 2.576 5.051 -12.529 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.846 5.027 -12.932 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.797 6.051 -12.903 1.00 0.00 N ATOM 0 H ARG A 41 1.350 -0.362 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 41 1.048 -0.914 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.247 0.344 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.325 0.254 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.194 1.614 -12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.239 1.776 -10.292 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.282 3.065 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.589 2.640 -12.029 1.00 0.00 H new ATOM 0 HE ARG A 41 1.108 4.176 -11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.455 4.258 -12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.209 5.777 -13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.822 6.078 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.170 6.796 -13.491 1.00 0.00 H new ATOM 671 N ASN A 42 3.420 -2.500 -10.171 1.00 0.00 N ATOM 672 CA ASN A 42 4.378 -3.629 -10.170 1.00 0.00 C ATOM 673 C ASN A 42 4.392 -4.307 -8.798 1.00 0.00 C ATOM 674 O ASN A 42 3.874 -3.761 -7.829 1.00 0.00 O ATOM 675 CB ASN A 42 5.801 -3.139 -10.542 1.00 0.00 C ATOM 676 CG ASN A 42 5.914 -2.583 -11.967 1.00 0.00 C ATOM 677 OD1 ASN A 42 5.731 -1.384 -12.205 1.00 0.00 O ATOM 678 ND2 ASN A 42 6.197 -3.451 -12.918 1.00 0.00 N ATOM 0 H ASN A 42 3.424 -1.965 -9.303 1.00 0.00 H new ATOM 0 HA ASN A 42 4.058 -4.354 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.105 -2.366 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.501 -3.967 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.271 -3.140 -13.887 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.342 -4.433 -12.685 1.00 0.00 H new ATOM 685 N VAL A 43 4.950 -5.528 -8.732 1.00 0.00 N ATOM 686 CA VAL A 43 5.107 -6.288 -7.469 1.00 0.00 C ATOM 687 C VAL A 43 6.544 -6.822 -7.390 1.00 0.00 C ATOM 688 O VAL A 43 6.880 -7.797 -8.082 1.00 0.00 O ATOM 689 CB VAL A 43 4.072 -7.479 -7.388 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.215 -8.308 -6.085 1.00 0.00 C ATOM 691 CG2 VAL A 43 2.622 -6.963 -7.540 1.00 0.00 C ATOM 0 H VAL A 43 5.307 -6.021 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 43 4.910 -5.625 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 43 4.301 -8.145 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.479 -9.112 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.217 -8.733 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.049 -7.662 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.929 -7.802 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.403 -6.254 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.511 -6.468 -8.505 1.00 0.00 H new ATOM 914 N ILE A 57 2.903 -12.271 -7.496 1.00 0.00 N ATOM 915 CA ILE A 57 2.540 -13.015 -6.288 1.00 0.00 C ATOM 916 C ILE A 57 2.751 -12.098 -5.071 1.00 0.00 C ATOM 917 O ILE A 57 3.865 -11.976 -4.562 1.00 0.00 O ATOM 918 CB ILE A 57 3.389 -14.337 -6.135 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.373 -15.177 -7.454 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.894 -15.185 -4.932 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.992 -15.614 -7.936 1.00 0.00 C ATOM 0 HA ILE A 57 1.495 -13.317 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 57 4.420 -14.045 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.846 -14.592 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.985 -16.066 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.497 -16.089 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.987 -14.604 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.850 -15.458 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.093 -16.189 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.519 -16.231 -7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.377 -14.734 -8.124 1.00 0.00 H new ATOM 933 N ILE A 58 1.686 -11.405 -4.667 1.00 0.00 N ATOM 934 CA ILE A 58 1.725 -10.424 -3.568 1.00 0.00 C ATOM 935 C ILE A 58 1.657 -11.154 -2.217 1.00 0.00 C ATOM 936 O ILE A 58 0.782 -11.994 -2.011 1.00 0.00 O ATOM 937 CB ILE A 58 0.542 -9.391 -3.720 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.646 -8.695 -5.119 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.545 -8.348 -2.574 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.487 -7.770 -5.491 1.00 0.00 C ATOM 0 H ILE A 58 0.764 -11.505 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 58 2.662 -9.869 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.405 -9.927 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.576 -8.127 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.720 -9.470 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.284 -7.653 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.435 -8.858 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.486 -7.798 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.303 -7.349 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.423 -8.328 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.554 -6.964 -4.760 1.00 0.00 H new ATOM 952 N THR A 59 2.611 -10.856 -1.328 1.00 0.00 N ATOM 953 CA THR A 59 2.705 -11.468 0.010 1.00 0.00 C ATOM 954 C THR A 59 2.726 -10.365 1.075 1.00 0.00 C ATOM 955 O THR A 59 3.025 -9.200 0.769 1.00 0.00 O ATOM 956 CB THR A 59 3.986 -12.362 0.133 1.00 0.00 C ATOM 957 OG1 THR A 59 5.161 -11.571 -0.112 1.00 0.00 O ATOM 958 CG2 THR A 59 3.961 -13.550 -0.849 1.00 0.00 C ATOM 0 H THR A 59 3.349 -10.177 -1.515 1.00 0.00 H new ATOM 0 HA THR A 59 1.835 -12.107 0.162 1.00 0.00 H new ATOM 0 HB THR A 59 4.005 -12.763 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.958 -12.136 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.869 -14.141 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.091 -14.174 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.906 -13.176 -1.871 1.00 0.00 H new ATOM 966 N ARG A 60 2.406 -10.738 2.327 1.00 0.00 N ATOM 967 CA ARG A 60 2.387 -9.803 3.459 1.00 0.00 C ATOM 968 C ARG A 60 3.827 -9.483 3.912 1.00 0.00 C ATOM 969 O ARG A 60 4.631 -10.393 4.151 1.00 0.00 O ATOM 970 CB ARG A 60 1.535 -10.377 4.622 1.00 0.00 C ATOM 971 CG ARG A 60 1.468 -9.462 5.866 1.00 0.00 C ATOM 972 CD ARG A 60 0.447 -9.936 6.905 1.00 0.00 C ATOM 973 NE ARG A 60 0.711 -11.317 7.369 1.00 0.00 N ATOM 974 CZ ARG A 60 0.731 -11.721 8.650 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.646 -10.844 9.640 1.00 0.00 N ATOM 976 NH2 ARG A 60 0.864 -13.006 8.935 1.00 0.00 N ATOM 0 H ARG A 60 2.154 -11.694 2.579 1.00 0.00 H new ATOM 0 HA ARG A 60 1.923 -8.869 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.522 -10.557 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.945 -11.343 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.454 -9.415 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.215 -8.449 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.462 -9.260 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.554 -9.885 6.476 1.00 0.00 H new ATOM 0 HE ARG A 60 0.893 -12.022 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.564 -9.848 9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.662 -11.165 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.951 -13.689 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.879 -13.314 9.907 1.00 0.00 H new ATOM 990 N GLY A 61 4.122 -8.180 4.010 1.00 0.00 N ATOM 991 CA GLY A 61 5.453 -7.671 4.349 1.00 0.00 C ATOM 992 C GLY A 61 6.245 -7.253 3.120 1.00 0.00 C ATOM 993 O GLY A 61 7.382 -6.796 3.247 1.00 0.00 O ATOM 0 H GLY A 61 3.434 -7.443 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.353 -6.818 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.006 -8.439 4.890 1.00 0.00 H new ATOM 997 N ALA A 62 5.641 -7.429 1.934 1.00 0.00 N ATOM 998 CA ALA A 62 6.284 -7.145 0.642 1.00 0.00 C ATOM 999 C ALA A 62 5.955 -5.725 0.149 1.00 0.00 C ATOM 1000 O ALA A 62 4.868 -5.207 0.423 1.00 0.00 O ATOM 1001 CB ALA A 62 5.842 -8.188 -0.392 1.00 0.00 C ATOM 0 H ALA A 62 4.686 -7.775 1.845 1.00 0.00 H new ATOM 0 HA ALA A 62 7.364 -7.202 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.319 -7.977 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.133 -9.182 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.759 -8.147 -0.510 1.00 0.00 H new ATOM 1007 N VAL A 63 6.904 -5.120 -0.569 1.00 0.00 N ATOM 1008 CA VAL A 63 6.701 -3.843 -1.264 1.00 0.00 C ATOM 1009 C VAL A 63 6.037 -4.098 -2.630 1.00 0.00 C ATOM 1010 O VAL A 63 6.586 -4.808 -3.486 1.00 0.00 O ATOM 1011 CB VAL A 63 8.050 -3.052 -1.478 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.833 -1.758 -2.303 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.726 -2.728 -0.134 1.00 0.00 C ATOM 0 H VAL A 63 7.842 -5.504 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 63 6.056 -3.230 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 63 8.714 -3.702 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.785 -1.242 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.428 -2.014 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.133 -1.106 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.653 -2.183 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.057 -2.116 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.948 -3.655 0.395 1.00 0.00 H new ATOM 1023 N VAL A 64 4.847 -3.532 -2.803 1.00 0.00 N ATOM 1024 CA VAL A 64 4.201 -3.402 -4.107 1.00 0.00 C ATOM 1025 C VAL A 64 4.368 -1.947 -4.577 1.00 0.00 C ATOM 1026 O VAL A 64 4.338 -1.007 -3.769 1.00 0.00 O ATOM 1027 CB VAL A 64 2.683 -3.822 -4.078 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.524 -5.327 -3.764 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.854 -2.959 -3.090 1.00 0.00 C ATOM 0 H VAL A 64 4.297 -3.146 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 64 4.679 -4.086 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 64 2.286 -3.638 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.465 -5.586 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.032 -5.914 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.963 -5.544 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.814 -3.286 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.255 -3.072 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.909 -1.912 -3.387 1.00 0.00 H new ATOM 1039 N GLU A 65 4.565 -1.778 -5.881 1.00 0.00 N ATOM 1040 CA GLU A 65 4.750 -0.472 -6.506 1.00 0.00 C ATOM 1041 C GLU A 65 3.374 -0.018 -6.994 1.00 0.00 C ATOM 1042 O GLU A 65 2.719 -0.753 -7.726 1.00 0.00 O ATOM 1043 CB GLU A 65 5.754 -0.587 -7.686 1.00 0.00 C ATOM 1044 CG GLU A 65 6.182 0.763 -8.293 1.00 0.00 C ATOM 1045 CD GLU A 65 6.951 1.643 -7.287 1.00 0.00 C ATOM 1046 OE1 GLU A 65 8.191 1.474 -7.154 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.328 2.494 -6.605 1.00 0.00 O ATOM 0 H GLU A 65 4.601 -2.554 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 65 5.161 0.253 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.643 -1.114 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.306 -1.198 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.808 0.583 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.298 1.299 -8.639 1.00 0.00 H new ATOM 1054 N THR A 66 2.926 1.160 -6.550 1.00 0.00 N ATOM 1055 CA THR A 66 1.572 1.677 -6.852 1.00 0.00 C ATOM 1056 C THR A 66 1.672 3.042 -7.531 1.00 0.00 C ATOM 1057 O THR A 66 2.758 3.460 -7.915 1.00 0.00 O ATOM 1058 CB THR A 66 0.705 1.788 -5.547 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.302 2.721 -4.625 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.537 0.428 -4.853 1.00 0.00 C ATOM 0 H THR A 66 3.485 1.787 -5.971 1.00 0.00 H new ATOM 0 HA THR A 66 1.083 0.974 -7.527 1.00 0.00 H new ATOM 0 HB THR A 66 -0.281 2.143 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.261 2.533 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.069 0.550 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.044 -0.268 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.516 0.036 -4.579 1.00 0.00 H new ATOM 1068 N ASN A 67 0.522 3.711 -7.741 1.00 0.00 N ATOM 1069 CA ASN A 67 0.507 5.119 -8.189 1.00 0.00 C ATOM 1070 C ASN A 67 0.917 6.066 -7.042 1.00 0.00 C ATOM 1071 O ASN A 67 1.450 7.148 -7.300 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.884 5.530 -8.741 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.376 4.668 -9.910 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.611 3.968 -10.567 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.658 4.757 -10.215 1.00 0.00 N ATOM 0 H ASN A 67 -0.404 3.303 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 67 1.233 5.206 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.613 5.477 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.841 6.570 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.030 4.238 -11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.276 5.345 -9.655 1.00 0.00 H new ATOM 1082 N LEU A 68 0.680 5.648 -5.779 1.00 0.00 N ATOM 1083 CA LEU A 68 0.959 6.484 -4.589 1.00 0.00 C ATOM 1084 C LEU A 68 2.428 6.378 -4.147 1.00 0.00 C ATOM 1085 O LEU A 68 2.968 7.315 -3.545 1.00 0.00 O ATOM 1086 CB LEU A 68 0.004 6.099 -3.424 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.505 6.478 -3.634 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.377 6.054 -2.424 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.669 7.994 -3.930 1.00 0.00 C ATOM 0 H LEU A 68 0.294 4.731 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 68 0.779 7.523 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.071 5.023 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.358 6.581 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.857 5.924 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.414 6.333 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.311 4.975 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.020 6.556 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.725 8.225 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.279 8.572 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.118 8.250 -4.835 1.00 0.00 H new ATOM 1101 N GLY A 69 3.066 5.231 -4.426 1.00 0.00 N ATOM 1102 CA GLY A 69 4.474 5.013 -4.087 1.00 0.00 C ATOM 1103 C GLY A 69 4.734 3.561 -3.741 1.00 0.00 C ATOM 1104 O GLY A 69 4.067 2.669 -4.274 1.00 0.00 O ATOM 0 H GLY A 69 2.622 4.438 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.103 5.308 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.750 5.646 -3.244 1.00 0.00 H new ATOM 1108 N ASN A 70 5.706 3.322 -2.860 1.00 0.00 N ATOM 1109 CA ASN A 70 6.013 1.972 -2.351 1.00 0.00 C ATOM 1110 C ASN A 70 5.110 1.667 -1.168 1.00 0.00 C ATOM 1111 O ASN A 70 5.013 2.479 -0.244 1.00 0.00 O ATOM 1112 CB ASN A 70 7.486 1.881 -1.906 1.00 0.00 C ATOM 1113 CG ASN A 70 8.487 2.236 -2.986 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.521 2.774 -2.680 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.202 1.944 -4.249 1.00 0.00 N ATOM 0 H ASN A 70 6.305 4.053 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 70 5.844 1.248 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.638 2.544 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.687 0.867 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.866 2.175 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.319 1.488 -4.480 1.00 0.00 H new ATOM 1122 N VAL A 71 4.426 0.525 -1.204 1.00 0.00 N ATOM 1123 CA VAL A 71 3.507 0.118 -0.134 1.00 0.00 C ATOM 1124 C VAL A 71 3.925 -1.238 0.461 1.00 0.00 C ATOM 1125 O VAL A 71 4.108 -2.209 -0.273 1.00 0.00 O ATOM 1126 CB VAL A 71 2.030 0.026 -0.686 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.028 -0.297 0.438 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.626 1.323 -1.426 1.00 0.00 C ATOM 0 H VAL A 71 4.490 -0.144 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 71 3.550 0.871 0.653 1.00 0.00 H new ATOM 0 HB VAL A 71 2.002 -0.794 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.022 -0.353 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.287 -1.253 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.065 0.486 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.604 1.229 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.688 2.168 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.301 1.488 -2.266 1.00 0.00 H new ATOM 1138 N ARG A 72 4.045 -1.292 1.796 1.00 0.00 N ATOM 1139 CA ARG A 72 4.265 -2.547 2.537 1.00 0.00 C ATOM 1140 C ARG A 72 2.896 -3.163 2.786 1.00 0.00 C ATOM 1141 O ARG A 72 2.044 -2.499 3.366 1.00 0.00 O ATOM 1142 CB ARG A 72 4.980 -2.291 3.896 1.00 0.00 C ATOM 1143 CG ARG A 72 6.468 -1.939 3.789 1.00 0.00 C ATOM 1144 CD ARG A 72 7.340 -3.129 3.353 1.00 0.00 C ATOM 1145 NE ARG A 72 8.771 -2.758 3.220 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.611 -2.434 4.231 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.208 -2.467 5.497 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.864 -2.089 3.955 1.00 0.00 N ATOM 0 H ARG A 72 3.992 -0.467 2.394 1.00 0.00 H new ATOM 0 HA ARG A 72 4.906 -3.211 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.466 -1.480 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.876 -3.181 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.592 -1.125 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.819 -1.573 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.242 -3.935 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.976 -3.514 2.400 1.00 0.00 H new ATOM 0 HE ARG A 72 9.159 -2.746 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.251 -2.740 5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.856 -2.219 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.186 -2.070 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.504 -1.843 4.711 1.00 0.00 H new ATOM 1162 N VAL A 73 2.686 -4.403 2.342 1.00 0.00 N ATOM 1163 CA VAL A 73 1.418 -5.117 2.548 1.00 0.00 C ATOM 1164 C VAL A 73 1.319 -5.514 4.037 1.00 0.00 C ATOM 1165 O VAL A 73 1.941 -6.479 4.472 1.00 0.00 O ATOM 1166 CB VAL A 73 1.330 -6.373 1.598 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.006 -7.154 1.788 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.519 -5.959 0.121 1.00 0.00 C ATOM 0 H VAL A 73 3.385 -4.942 1.831 1.00 0.00 H new ATOM 0 HA VAL A 73 0.575 -4.473 2.296 1.00 0.00 H new ATOM 0 HB VAL A 73 2.142 -7.045 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.011 -8.010 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.067 -7.502 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.837 -6.500 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.454 -6.842 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.740 -5.251 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.496 -5.492 -0.004 1.00 0.00 H new ATOM 1178 N THR A 74 0.558 -4.738 4.816 1.00 0.00 N ATOM 1179 CA THR A 74 0.538 -4.841 6.290 1.00 0.00 C ATOM 1180 C THR A 74 -0.610 -5.729 6.755 1.00 0.00 C ATOM 1181 O THR A 74 -0.581 -6.279 7.861 1.00 0.00 O ATOM 1182 CB THR A 74 0.444 -3.432 6.949 1.00 0.00 C ATOM 1183 OG1 THR A 74 -0.702 -2.726 6.446 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.716 -2.612 6.690 1.00 0.00 C ATOM 0 H THR A 74 -0.064 -4.018 4.448 1.00 0.00 H new ATOM 0 HA THR A 74 1.475 -5.299 6.606 1.00 0.00 H new ATOM 0 HB THR A 74 0.340 -3.571 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.846 -1.915 6.977 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.621 -1.634 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.577 -3.134 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.855 -2.485 5.616 1.00 0.00 H new ATOM 1192 N SER A 75 -1.624 -5.857 5.890 1.00 0.00 N ATOM 1193 CA SER A 75 -2.705 -6.830 6.050 1.00 0.00 C ATOM 1194 C SER A 75 -2.388 -8.054 5.173 1.00 0.00 C ATOM 1195 O SER A 75 -1.323 -8.114 4.547 1.00 0.00 O ATOM 1196 CB SER A 75 -4.052 -6.188 5.658 1.00 0.00 C ATOM 1197 OG SER A 75 -5.142 -7.038 5.976 1.00 0.00 O ATOM 0 H SER A 75 -1.715 -5.282 5.053 1.00 0.00 H new ATOM 0 HA SER A 75 -2.785 -7.148 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.168 -5.236 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.057 -5.972 4.590 1.00 0.00 H new ATOM 0 HG SER A 75 -5.649 -6.655 6.722 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.287 -9.041 5.149 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.159 -10.193 4.253 1.00 0.00 C ATOM 1205 C ARG A 76 -3.529 -9.770 2.807 1.00 0.00 C ATOM 1206 O ARG A 76 -4.411 -8.913 2.621 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.056 -11.357 4.747 1.00 0.00 C ATOM 1208 CG ARG A 76 -5.565 -11.036 4.817 1.00 0.00 C ATOM 1209 CD ARG A 76 -6.400 -12.202 5.355 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.826 -11.853 5.395 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.828 -12.674 5.746 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -8.584 -13.907 6.166 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -10.076 -12.238 5.704 1.00 0.00 N ATOM 0 H ARG A 76 -4.116 -9.065 5.743 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.127 -10.545 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.912 -12.212 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.718 -11.660 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.716 -10.164 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.921 -10.770 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.254 -13.080 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.059 -12.467 6.356 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.078 -10.900 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.623 -14.245 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.357 -14.518 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.273 -11.283 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.842 -12.857 5.970 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.842 -10.323 1.761 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.190 -10.071 0.337 1.00 0.00 C ATOM 1229 C PRO A 77 -4.441 -10.869 -0.142 1.00 0.00 C ATOM 1230 O PRO A 77 -4.421 -11.498 -1.212 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.899 -10.503 -0.402 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.338 -11.598 0.453 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.641 -11.201 1.880 1.00 0.00 C ATOM 0 HA PRO A 77 -3.476 -9.036 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.116 -10.856 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.198 -9.674 -0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.794 -12.558 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.265 -11.706 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.843 -12.072 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.803 -10.672 2.334 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.537 -10.774 0.634 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.784 -11.462 0.323 1.00 0.00 C ATOM 1243 C GLY A 78 -7.806 -11.329 1.449 1.00 0.00 C ATOM 1244 O GLY A 78 -8.135 -12.303 2.130 1.00 0.00 O ATOM 0 H GLY A 78 -5.574 -10.218 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.203 -11.055 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.580 -12.517 0.141 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.284 -10.094 1.658 1.00 0.00 N ATOM 1249 CA GLN A 79 -9.391 -9.782 2.588 1.00 0.00 C ATOM 1250 C GLN A 79 -10.498 -9.060 1.807 1.00 0.00 C ATOM 1251 O GLN A 79 -10.265 -7.965 1.270 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.896 -8.924 3.784 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.973 -7.746 3.414 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.894 -6.651 4.479 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.691 -5.489 4.150 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.056 -6.987 5.758 1.00 0.00 N ATOM 0 H GLN A 79 -7.912 -9.271 1.183 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.786 -10.708 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.765 -8.531 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.367 -9.574 4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.970 -8.130 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.323 -7.305 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.224 -7.960 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.012 -6.271 6.483 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.683 -9.706 1.701 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.842 -9.208 0.915 1.00 0.00 C ATOM 1267 C ASP A 80 -12.498 -9.102 -0.589 1.00 0.00 C ATOM 1268 O ASP A 80 -13.188 -8.412 -1.343 1.00 0.00 O ATOM 1269 CB ASP A 80 -13.375 -7.852 1.476 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.812 -7.945 2.944 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.897 -8.492 3.216 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.074 -7.471 3.837 1.00 0.00 O ATOM 0 H ASP A 80 -11.865 -10.597 2.163 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.644 -9.939 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.597 -7.094 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.219 -7.521 0.871 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.431 -9.821 -1.006 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.983 -9.863 -2.396 1.00 0.00 C ATOM 1279 C GLY A 81 -9.916 -8.819 -2.696 1.00 0.00 C ATOM 1280 O GLY A 81 -9.346 -8.818 -3.792 1.00 0.00 O ATOM 0 H GLY A 81 -10.862 -10.387 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.589 -10.855 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.837 -9.705 -3.055 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.628 -7.935 -1.717 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.684 -6.813 -1.898 1.00 0.00 C ATOM 1286 C VAL A 82 -7.509 -6.910 -0.897 1.00 0.00 C ATOM 1287 O VAL A 82 -7.566 -7.653 0.083 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.430 -5.426 -1.770 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.859 -5.115 -0.320 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.614 -4.259 -2.385 1.00 0.00 C ATOM 0 H VAL A 82 -10.041 -7.979 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.269 -6.879 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.344 -5.522 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.367 -4.151 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.536 -5.893 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.978 -5.081 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.169 -3.328 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.656 -4.175 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.443 -4.453 -3.444 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.443 -6.159 -1.190 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.210 -6.115 -0.398 1.00 0.00 C ATOM 1302 C ILE A 83 -5.116 -4.754 0.316 1.00 0.00 C ATOM 1303 O ILE A 83 -5.622 -3.760 -0.212 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.995 -6.323 -1.382 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.248 -7.593 -2.268 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.650 -6.421 -0.631 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.213 -7.871 -3.330 1.00 0.00 C ATOM 0 H ILE A 83 -6.413 -5.548 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.200 -6.897 0.361 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.924 -5.447 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.312 -8.462 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.219 -7.487 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.842 -6.564 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.479 -5.502 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.678 -7.266 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.489 -8.770 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.161 -7.027 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.240 -8.017 -2.861 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.518 -4.703 1.527 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.266 -3.423 2.250 1.00 0.00 C ATOM 1321 C ASN A 84 -2.806 -3.342 2.722 1.00 0.00 C ATOM 1322 O ASN A 84 -2.147 -4.374 2.938 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.222 -3.229 3.465 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.670 -2.882 3.092 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.218 -3.364 2.105 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.306 -2.036 3.888 1.00 0.00 N ATOM 0 H ASN A 84 -4.198 -5.531 2.030 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.464 -2.620 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.223 -4.143 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.825 -2.437 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.271 -1.773 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.831 -1.648 4.703 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.328 -2.096 2.909 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.944 -1.842 3.307 1.00 0.00 C ATOM 1335 C GLY A 85 -0.692 -0.404 3.771 1.00 0.00 C ATOM 1336 O GLY A 85 -1.646 0.336 3.985 1.00 0.00 O ATOM 0 H GLY A 85 -2.888 -1.252 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.675 -2.527 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.287 -2.064 2.466 1.00 0.00 H new ATOM 1340 N VAL A 86 0.602 -0.011 3.950 1.00 0.00 N ATOM 1341 CA VAL A 86 0.992 1.368 4.359 1.00 0.00 C ATOM 1342 C VAL A 86 2.001 1.973 3.369 1.00 0.00 C ATOM 1343 O VAL A 86 2.834 1.258 2.806 1.00 0.00 O ATOM 1344 CB VAL A 86 1.593 1.447 5.821 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.583 0.953 6.878 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.936 0.684 5.928 1.00 0.00 C ATOM 0 H VAL A 86 1.397 -0.636 3.816 1.00 0.00 H new ATOM 0 HA VAL A 86 0.067 1.944 4.352 1.00 0.00 H new ATOM 0 HB VAL A 86 1.796 2.498 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.031 1.022 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.314 1.571 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.318 -0.084 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.318 0.761 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.779 -0.365 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.657 1.119 5.236 1.00 0.00 H new ATOM 1356 N LEU A 87 1.925 3.302 3.173 1.00 0.00 N ATOM 1357 CA LEU A 87 2.768 4.010 2.192 1.00 0.00 C ATOM 1358 C LEU A 87 4.146 4.367 2.793 1.00 0.00 C ATOM 1359 O LEU A 87 4.261 5.299 3.589 1.00 0.00 O ATOM 1360 CB LEU A 87 2.032 5.292 1.714 1.00 0.00 C ATOM 1361 CG LEU A 87 2.623 5.996 0.449 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.759 5.014 -0.734 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.765 7.222 0.053 1.00 0.00 C ATOM 0 H LEU A 87 1.285 3.910 3.684 1.00 0.00 H new ATOM 0 HA LEU A 87 2.943 3.353 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.993 5.034 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.026 6.010 2.534 1.00 0.00 H new ATOM 0 HG LEU A 87 3.624 6.345 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.173 5.538 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.423 4.196 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.778 4.614 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.194 7.697 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.748 6.898 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.748 7.936 0.877 1.00 0.00 H new ATOM 1375 N ILE A 88 5.191 3.621 2.399 1.00 0.00 N ATOM 1376 CA ILE A 88 6.578 3.868 2.855 1.00 0.00 C ATOM 1377 C ILE A 88 7.330 4.771 1.855 1.00 0.00 C ATOM 1378 O ILE A 88 6.811 5.097 0.774 1.00 0.00 O ATOM 1379 CB ILE A 88 7.362 2.526 3.091 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.488 1.708 1.770 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.682 1.696 4.211 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.393 0.494 1.845 1.00 0.00 C ATOM 0 H ILE A 88 5.104 2.832 1.758 1.00 0.00 H new ATOM 0 HA ILE A 88 6.519 4.385 3.813 1.00 0.00 H new ATOM 0 HB ILE A 88 8.373 2.770 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.493 1.381 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.858 2.369 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.235 0.769 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.675 2.271 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.658 1.463 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.413 -0.005 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.402 0.808 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.016 -0.195 2.601 1.00 0.00 H new ATOM 1394 N ARG A 89 8.568 5.146 2.225 1.00 0.00 N ATOM 1395 CA ARG A 89 9.373 6.173 1.514 1.00 0.00 C ATOM 1396 C ARG A 89 10.686 5.555 0.989 1.00 0.00 C ATOM 1397 O ARG A 89 11.677 6.274 0.815 1.00 0.00 O ATOM 1398 CB ARG A 89 9.694 7.358 2.490 1.00 0.00 C ATOM 1399 CG ARG A 89 8.525 7.847 3.376 1.00 0.00 C ATOM 1400 CD ARG A 89 7.286 8.321 2.599 1.00 0.00 C ATOM 1401 NE ARG A 89 6.227 8.775 3.519 1.00 0.00 N ATOM 1402 CZ ARG A 89 4.906 8.672 3.308 1.00 0.00 C ATOM 1403 NH1 ARG A 89 4.427 8.147 2.191 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.069 9.103 4.225 1.00 0.00 N ATOM 0 H ARG A 89 9.047 4.745 3.031 1.00 0.00 H new ATOM 0 HA ARG A 89 8.800 6.548 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.513 7.054 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.052 8.201 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.230 7.038 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.879 8.665 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.562 9.134 1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.909 7.509 1.978 1.00 0.00 H new ATOM 0 HE ARG A 89 6.525 9.206 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.066 7.811 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.419 8.078 2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.425 9.512 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.063 9.029 4.073 1.00 0.00 H new ATOM 1418 N GLU A 90 10.666 4.230 0.718 1.00 0.00 N ATOM 1419 CA GLU A 90 11.875 3.417 0.403 1.00 0.00 C ATOM 1420 C GLU A 90 12.645 4.019 -0.803 1.00 0.00 C ATOM 1421 O GLU A 90 13.813 4.414 -0.689 1.00 0.00 O ATOM 1422 CB GLU A 90 11.442 1.929 0.132 1.00 0.00 C ATOM 1423 CG GLU A 90 12.413 0.831 0.632 1.00 0.00 C ATOM 1424 CD GLU A 90 13.809 0.892 -0.006 1.00 0.00 C ATOM 1425 OE1 GLU A 90 13.967 0.426 -1.150 1.00 0.00 O ATOM 1426 OE2 GLU A 90 14.758 1.406 0.632 1.00 0.00 O ATOM 0 H GLU A 90 9.804 3.685 0.710 1.00 0.00 H new ATOM 0 HA GLU A 90 12.556 3.432 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.470 1.765 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.306 1.802 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.515 0.917 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.975 -0.146 0.430 1.00 0.00 H new ATOM 1433 N LEU A 91 11.959 4.065 -1.947 1.00 0.00 N ATOM 1434 CA LEU A 91 12.347 4.845 -3.129 1.00 0.00 C ATOM 1435 C LEU A 91 11.134 5.709 -3.524 1.00 0.00 C ATOM 1436 O LEU A 91 10.097 5.183 -3.947 1.00 0.00 O ATOM 1437 CB LEU A 91 12.829 3.950 -4.325 1.00 0.00 C ATOM 1438 CG LEU A 91 11.948 2.694 -4.722 1.00 0.00 C ATOM 1439 CD1 LEU A 91 12.169 2.274 -6.187 1.00 0.00 C ATOM 1440 CD2 LEU A 91 12.226 1.488 -3.793 1.00 0.00 C ATOM 0 H LEU A 91 11.092 3.546 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 91 13.206 5.469 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.915 4.588 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.832 3.593 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 91 10.909 3.001 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.546 1.410 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.901 3.099 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.217 2.015 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.604 0.645 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.277 1.208 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.993 1.760 -2.764 1.00 0.00 H new