USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 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 75 SER OG : rot -169:sc= 0.254 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.191 K(o=0.063,f=-4.4!) USER MOD Single : A 23 THR OG1 : rot 22:sc= 0.171 USER MOD Single : A 26 ASN : amide:sc= -0.893 K(o=-0.89,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc=-0.00802 (180deg=-0.0922) USER MOD Single : A 42 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.4) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -27:sc= 1.09 USER MOD Single : A 67 ASN : amide:sc= 0.154 K(o=0.15,f=-3.9!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.809 F(o=-1.6,f=-0.81) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.612 USER MOD Single : A 79 GLN : amide:sc= -0.0515 K(o=-0.052,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.103 -4.952 -10.327 1.00 0.00 N ATOM 367 CA THR A 23 -4.736 -5.241 -8.936 1.00 0.00 C ATOM 368 C THR A 23 -4.896 -3.977 -8.065 1.00 0.00 C ATOM 369 O THR A 23 -4.194 -2.980 -8.262 1.00 0.00 O ATOM 370 CB THR A 23 -3.275 -5.781 -8.850 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.115 -6.874 -9.771 1.00 0.00 O ATOM 372 CG2 THR A 23 -2.917 -6.253 -7.432 1.00 0.00 C ATOM 0 HA THR A 23 -5.407 -6.012 -8.558 1.00 0.00 H new ATOM 0 HB THR A 23 -2.603 -4.963 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.804 -6.820 -10.466 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.891 -6.621 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.013 -5.420 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.593 -7.054 -7.134 1.00 0.00 H new ATOM 380 N ARG A 24 -5.817 -4.050 -7.092 1.00 0.00 N ATOM 381 CA ARG A 24 -6.231 -2.899 -6.277 1.00 0.00 C ATOM 382 C ARG A 24 -5.728 -3.056 -4.829 1.00 0.00 C ATOM 383 O ARG A 24 -5.743 -4.165 -4.272 1.00 0.00 O ATOM 384 CB ARG A 24 -7.781 -2.794 -6.310 1.00 0.00 C ATOM 385 CG ARG A 24 -8.366 -1.439 -5.876 1.00 0.00 C ATOM 386 CD ARG A 24 -7.973 -0.300 -6.825 1.00 0.00 C ATOM 387 NE ARG A 24 -8.310 -0.591 -8.236 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.445 -0.227 -8.859 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.446 0.330 -8.189 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.573 -0.443 -10.157 1.00 0.00 N ATOM 0 H ARG A 24 -6.298 -4.915 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.796 -1.986 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.120 -3.008 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.193 -3.570 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.453 -1.513 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.022 -1.204 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.478 0.615 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.902 -0.116 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.624 -1.112 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.362 0.488 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.299 0.600 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.814 -0.883 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.430 -0.170 -10.637 1.00 0.00 H new ATOM 404 N ILE A 25 -5.301 -1.936 -4.234 1.00 0.00 N ATOM 405 CA ILE A 25 -4.822 -1.875 -2.843 1.00 0.00 C ATOM 406 C ILE A 25 -5.341 -0.586 -2.176 1.00 0.00 C ATOM 407 O ILE A 25 -5.532 0.435 -2.848 1.00 0.00 O ATOM 408 CB ILE A 25 -3.243 -1.927 -2.784 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.722 -1.967 -1.307 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.611 -0.744 -3.565 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.221 -2.143 -1.158 1.00 0.00 C ATOM 0 H ILE A 25 -5.277 -1.034 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.205 -2.741 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.931 -2.853 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.015 -1.042 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.222 -2.782 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.524 -0.808 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.921 -0.790 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.943 0.198 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.960 -2.158 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.917 -3.082 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.707 -1.315 -1.647 1.00 0.00 H new ATOM 423 N ASN A 26 -5.603 -0.650 -0.867 1.00 0.00 N ATOM 424 CA ASN A 26 -5.916 0.527 -0.053 1.00 0.00 C ATOM 425 C ASN A 26 -4.621 0.962 0.653 1.00 0.00 C ATOM 426 O ASN A 26 -4.166 0.319 1.607 1.00 0.00 O ATOM 427 CB ASN A 26 -7.046 0.214 0.964 1.00 0.00 C ATOM 428 CG ASN A 26 -8.352 -0.266 0.308 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.657 0.076 -0.837 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.136 -1.052 1.027 1.00 0.00 N ATOM 0 H ASN A 26 -5.604 -1.524 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.284 1.338 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.696 -0.550 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.252 1.109 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.016 -1.390 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.861 -1.320 1.972 1.00 0.00 H new ATOM 437 N VAL A 27 -4.007 2.017 0.117 1.00 0.00 N ATOM 438 CA VAL A 27 -2.730 2.557 0.602 1.00 0.00 C ATOM 439 C VAL A 27 -2.982 3.488 1.795 1.00 0.00 C ATOM 440 O VAL A 27 -3.472 4.610 1.622 1.00 0.00 O ATOM 441 CB VAL A 27 -1.999 3.340 -0.552 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.669 3.962 -0.073 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.785 2.435 -1.784 1.00 0.00 C ATOM 0 H VAL A 27 -4.386 2.531 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.093 1.733 0.922 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.647 4.164 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.197 4.493 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.866 4.660 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.004 3.173 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.278 3.000 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.175 1.576 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.750 2.089 -2.153 1.00 0.00 H new ATOM 453 N VAL A 28 -2.649 3.016 2.999 1.00 0.00 N ATOM 454 CA VAL A 28 -2.844 3.779 4.235 1.00 0.00 C ATOM 455 C VAL A 28 -1.521 4.459 4.596 1.00 0.00 C ATOM 456 O VAL A 28 -0.587 3.795 5.049 1.00 0.00 O ATOM 457 CB VAL A 28 -3.314 2.856 5.426 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.639 3.679 6.701 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.505 1.966 5.003 1.00 0.00 C ATOM 0 H VAL A 28 -2.237 2.094 3.145 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.627 4.519 4.070 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.482 2.198 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.959 3.006 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.749 4.222 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.438 4.388 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.808 1.341 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.341 2.597 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.207 1.332 4.168 1.00 0.00 H new ATOM 469 N ASP A 29 -1.432 5.763 4.326 1.00 0.00 N ATOM 470 CA ASP A 29 -0.291 6.584 4.735 1.00 0.00 C ATOM 471 C ASP A 29 -0.110 6.468 6.269 1.00 0.00 C ATOM 472 O ASP A 29 -1.007 6.855 7.000 1.00 0.00 O ATOM 473 CB ASP A 29 -0.524 8.055 4.323 1.00 0.00 C ATOM 474 CG ASP A 29 0.727 8.940 4.489 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.066 9.309 5.630 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.369 9.282 3.478 1.00 0.00 O ATOM 0 H ASP A 29 -2.149 6.280 3.817 1.00 0.00 H new ATOM 0 HA ASP A 29 0.614 6.232 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.848 8.087 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.335 8.469 4.922 1.00 0.00 H new ATOM 481 N PRO A 30 1.033 5.916 6.778 1.00 0.00 N ATOM 482 CA PRO A 30 1.201 5.631 8.226 1.00 0.00 C ATOM 483 C PRO A 30 1.405 6.904 9.083 1.00 0.00 C ATOM 484 O PRO A 30 1.187 6.879 10.301 1.00 0.00 O ATOM 485 CB PRO A 30 2.448 4.709 8.251 1.00 0.00 C ATOM 486 CG PRO A 30 3.252 5.136 7.064 1.00 0.00 C ATOM 487 CD PRO A 30 2.245 5.542 6.003 1.00 0.00 C ATOM 0 HA PRO A 30 0.312 5.177 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.012 4.828 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.166 3.658 8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.910 5.968 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.887 4.324 6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.610 6.378 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.040 4.723 5.313 1.00 0.00 H new ATOM 495 N GLU A 31 1.805 8.007 8.432 1.00 0.00 N ATOM 496 CA GLU A 31 2.143 9.270 9.113 1.00 0.00 C ATOM 497 C GLU A 31 0.867 10.070 9.427 1.00 0.00 C ATOM 498 O GLU A 31 0.642 10.494 10.569 1.00 0.00 O ATOM 499 CB GLU A 31 3.095 10.106 8.213 1.00 0.00 C ATOM 500 CG GLU A 31 4.337 9.346 7.707 1.00 0.00 C ATOM 501 CD GLU A 31 5.263 8.878 8.839 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.086 9.690 9.319 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.183 7.700 9.261 1.00 0.00 O ATOM 0 H GLU A 31 1.904 8.050 7.418 1.00 0.00 H new ATOM 0 HA GLU A 31 2.645 9.044 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.533 10.470 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.425 10.982 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.014 8.480 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.898 9.990 7.030 1.00 0.00 H new ATOM 510 N THR A 32 0.034 10.256 8.390 1.00 0.00 N ATOM 511 CA THR A 32 -1.216 11.035 8.469 1.00 0.00 C ATOM 512 C THR A 32 -2.423 10.133 8.807 1.00 0.00 C ATOM 513 O THR A 32 -3.424 10.598 9.361 1.00 0.00 O ATOM 514 CB THR A 32 -1.473 11.775 7.122 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.498 10.820 6.049 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.403 12.838 6.833 1.00 0.00 C ATOM 0 H THR A 32 0.210 9.867 7.464 1.00 0.00 H new ATOM 0 HA THR A 32 -1.102 11.765 9.270 1.00 0.00 H new ATOM 0 HB THR A 32 -2.433 12.284 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.661 11.284 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.623 13.328 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.401 13.579 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.576 12.363 6.777 1.00 0.00 H new ATOM 524 N GLY A 33 -2.310 8.843 8.455 1.00 0.00 N ATOM 525 CA GLY A 33 -3.376 7.851 8.675 1.00 0.00 C ATOM 526 C GLY A 33 -4.347 7.741 7.497 1.00 0.00 C ATOM 527 O GLY A 33 -5.338 7.004 7.588 1.00 0.00 O ATOM 0 H GLY A 33 -1.477 8.457 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.924 6.876 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.933 8.118 9.573 1.00 0.00 H new ATOM 531 N LYS A 34 -4.058 8.471 6.397 1.00 0.00 N ATOM 532 CA LYS A 34 -4.970 8.584 5.239 1.00 0.00 C ATOM 533 C LYS A 34 -5.026 7.282 4.428 1.00 0.00 C ATOM 534 O LYS A 34 -4.038 6.890 3.806 1.00 0.00 O ATOM 535 CB LYS A 34 -4.549 9.756 4.318 1.00 0.00 C ATOM 536 CG LYS A 34 -4.593 11.134 5.004 1.00 0.00 C ATOM 537 CD LYS A 34 -4.145 12.279 4.066 1.00 0.00 C ATOM 538 CE LYS A 34 -4.135 13.647 4.765 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.476 14.009 5.301 1.00 0.00 N ATOM 0 H LYS A 34 -3.190 8.996 6.288 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.966 8.780 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.538 9.574 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.203 9.774 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.607 11.330 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.951 11.118 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.147 12.062 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.812 12.320 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.411 13.633 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.808 14.412 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.460 14.991 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.187 13.916 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.719 13.373 6.087 1.00 0.00 H new ATOM 553 N VAL A 35 -6.194 6.625 4.455 1.00 0.00 N ATOM 554 CA VAL A 35 -6.486 5.467 3.600 1.00 0.00 C ATOM 555 C VAL A 35 -6.930 5.994 2.228 1.00 0.00 C ATOM 556 O VAL A 35 -7.961 6.665 2.130 1.00 0.00 O ATOM 557 CB VAL A 35 -7.626 4.565 4.218 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.852 3.271 3.389 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.332 4.252 5.702 1.00 0.00 C ATOM 0 H VAL A 35 -6.964 6.883 5.072 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.592 4.850 3.512 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.557 5.130 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.644 2.679 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.140 3.536 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.931 2.689 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.130 3.630 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.383 3.722 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.276 5.183 6.266 1.00 0.00 H new ATOM 569 N GLU A 36 -6.137 5.713 1.192 1.00 0.00 N ATOM 570 CA GLU A 36 -6.407 6.142 -0.191 1.00 0.00 C ATOM 571 C GLU A 36 -6.265 4.940 -1.125 1.00 0.00 C ATOM 572 O GLU A 36 -5.254 4.240 -1.084 1.00 0.00 O ATOM 573 CB GLU A 36 -5.424 7.269 -0.611 1.00 0.00 C ATOM 574 CG GLU A 36 -5.584 7.774 -2.067 1.00 0.00 C ATOM 575 CD GLU A 36 -6.948 8.418 -2.352 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.099 9.636 -2.126 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.876 7.718 -2.807 1.00 0.00 O ATOM 0 H GLU A 36 -5.276 5.174 1.286 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.422 6.535 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.554 8.113 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.404 6.908 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.799 8.500 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.438 6.937 -2.750 1.00 0.00 H new ATOM 584 N ILE A 37 -7.271 4.726 -1.975 1.00 0.00 N ATOM 585 CA ILE A 37 -7.309 3.583 -2.893 1.00 0.00 C ATOM 586 C ILE A 37 -6.407 3.853 -4.115 1.00 0.00 C ATOM 587 O ILE A 37 -6.544 4.878 -4.787 1.00 0.00 O ATOM 588 CB ILE A 37 -8.787 3.276 -3.342 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.693 3.016 -2.091 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.841 2.082 -4.322 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.150 2.729 -2.402 1.00 0.00 C ATOM 0 H ILE A 37 -8.083 5.339 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.930 2.704 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.169 4.150 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.283 2.174 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.641 3.886 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.875 1.896 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.251 2.312 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.435 1.194 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.695 2.563 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.584 3.579 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.220 1.839 -3.028 1.00 0.00 H new ATOM 603 N ALA A 38 -5.478 2.930 -4.374 1.00 0.00 N ATOM 604 CA ALA A 38 -4.522 2.997 -5.493 1.00 0.00 C ATOM 605 C ALA A 38 -4.452 1.642 -6.205 1.00 0.00 C ATOM 606 O ALA A 38 -5.013 0.652 -5.725 1.00 0.00 O ATOM 607 CB ALA A 38 -3.137 3.420 -4.981 1.00 0.00 C ATOM 0 H ALA A 38 -5.363 2.094 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.863 3.744 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.439 3.466 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.207 4.401 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.781 2.693 -4.251 1.00 0.00 H new ATOM 613 N GLU A 39 -3.765 1.605 -7.355 1.00 0.00 N ATOM 614 CA GLU A 39 -3.585 0.379 -8.151 1.00 0.00 C ATOM 615 C GLU A 39 -2.093 0.035 -8.233 1.00 0.00 C ATOM 616 O GLU A 39 -1.252 0.924 -8.452 1.00 0.00 O ATOM 617 CB GLU A 39 -4.202 0.539 -9.564 1.00 0.00 C ATOM 618 CG GLU A 39 -5.686 0.953 -9.546 1.00 0.00 C ATOM 619 CD GLU A 39 -6.398 0.742 -10.887 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.865 -0.388 -11.140 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.488 1.695 -11.693 1.00 0.00 O ATOM 0 H GLU A 39 -3.317 2.426 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.108 -0.442 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.632 1.285 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.103 -0.403 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.204 0.383 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.758 2.004 -9.267 1.00 0.00 H new ATOM 628 N ILE A 40 -1.784 -1.257 -8.043 1.00 0.00 N ATOM 629 CA ILE A 40 -0.412 -1.761 -7.996 1.00 0.00 C ATOM 630 C ILE A 40 0.160 -1.892 -9.424 1.00 0.00 C ATOM 631 O ILE A 40 -0.304 -2.722 -10.209 1.00 0.00 O ATOM 632 CB ILE A 40 -0.359 -3.148 -7.248 1.00 0.00 C ATOM 633 CG1 ILE A 40 -0.930 -3.007 -5.797 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.074 -3.726 -7.230 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.955 -4.285 -4.967 1.00 0.00 C ATOM 0 H ILE A 40 -2.489 -1.984 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 40 0.201 -1.050 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.984 -3.852 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.338 -2.262 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.946 -2.619 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.074 -4.682 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.420 -3.872 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.740 -3.032 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.369 -4.071 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.573 -5.031 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.060 -4.668 -4.859 1.00 0.00 H new ATOM 647 N ARG A 41 1.157 -1.047 -9.734 1.00 0.00 N ATOM 648 CA ARG A 41 1.911 -1.062 -11.002 1.00 0.00 C ATOM 649 C ARG A 41 2.710 -2.372 -11.135 1.00 0.00 C ATOM 650 O ARG A 41 2.549 -3.115 -12.101 1.00 0.00 O ATOM 651 CB ARG A 41 2.884 0.155 -11.046 1.00 0.00 C ATOM 652 CG ARG A 41 2.194 1.537 -10.918 1.00 0.00 C ATOM 653 CD ARG A 41 3.186 2.686 -10.621 1.00 0.00 C ATOM 654 NE ARG A 41 4.192 2.881 -11.680 1.00 0.00 N ATOM 655 CZ ARG A 41 5.362 3.539 -11.530 1.00 0.00 C ATOM 656 NH1 ARG A 41 5.763 3.965 -10.339 1.00 0.00 N ATOM 657 NH2 ARG A 41 6.144 3.749 -12.582 1.00 0.00 N ATOM 0 H ARG A 41 1.470 -0.316 -9.095 1.00 0.00 H new ATOM 0 HA ARG A 41 1.207 -0.996 -11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.612 0.051 -10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.439 0.126 -11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.660 1.756 -11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.450 1.493 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.627 3.612 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.696 2.481 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 41 3.989 2.488 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.184 3.797 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.650 4.460 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.861 3.414 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.028 4.246 -12.470 1.00 0.00 H new ATOM 671 N ASN A 42 3.522 -2.668 -10.111 1.00 0.00 N ATOM 672 CA ASN A 42 4.427 -3.841 -10.097 1.00 0.00 C ATOM 673 C ASN A 42 4.498 -4.419 -8.673 1.00 0.00 C ATOM 674 O ASN A 42 4.199 -3.719 -7.715 1.00 0.00 O ATOM 675 CB ASN A 42 5.842 -3.433 -10.599 1.00 0.00 C ATOM 676 CG ASN A 42 6.814 -4.612 -10.717 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.419 -5.730 -11.043 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.084 -4.381 -10.433 1.00 0.00 N ATOM 0 H ASN A 42 3.575 -2.103 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 42 4.038 -4.607 -10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.748 -2.951 -11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.261 -2.694 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.764 -5.140 -10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.384 -3.444 -10.165 1.00 0.00 H new ATOM 685 N VAL A 43 4.873 -5.706 -8.539 1.00 0.00 N ATOM 686 CA VAL A 43 4.999 -6.377 -7.220 1.00 0.00 C ATOM 687 C VAL A 43 6.432 -6.903 -7.021 1.00 0.00 C ATOM 688 O VAL A 43 6.968 -6.813 -5.906 1.00 0.00 O ATOM 689 CB VAL A 43 3.957 -7.554 -7.057 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.048 -8.227 -5.664 1.00 0.00 C ATOM 691 CG2 VAL A 43 2.519 -7.056 -7.334 1.00 0.00 C ATOM 0 H VAL A 43 5.096 -6.309 -9.331 1.00 0.00 H new ATOM 0 HA VAL A 43 4.780 -5.634 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 43 4.211 -8.313 -7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.313 -9.029 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.048 -8.638 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.847 -7.487 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.819 -7.883 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.267 -6.263 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.457 -6.671 -8.352 1.00 0.00 H new ATOM 914 N ILE A 57 2.864 -12.913 -6.468 1.00 0.00 N ATOM 915 CA ILE A 57 2.486 -13.483 -5.171 1.00 0.00 C ATOM 916 C ILE A 57 2.599 -12.380 -4.109 1.00 0.00 C ATOM 917 O ILE A 57 3.640 -12.207 -3.456 1.00 0.00 O ATOM 918 CB ILE A 57 3.369 -14.737 -4.789 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.334 -15.824 -5.919 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.921 -15.344 -3.433 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.968 -16.444 -6.192 1.00 0.00 C ATOM 0 HA ILE A 57 1.459 -13.845 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 57 4.398 -14.393 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.701 -15.375 -6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.029 -16.621 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.546 -16.205 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.022 -14.595 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.880 -15.659 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.056 -17.182 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.602 -16.930 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.269 -15.665 -6.494 1.00 0.00 H new ATOM 933 N ILE A 58 1.530 -11.584 -4.014 1.00 0.00 N ATOM 934 CA ILE A 58 1.422 -10.495 -3.045 1.00 0.00 C ATOM 935 C ILE A 58 1.211 -11.108 -1.657 1.00 0.00 C ATOM 936 O ILE A 58 0.255 -11.856 -1.436 1.00 0.00 O ATOM 937 CB ILE A 58 0.257 -9.513 -3.430 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.465 -9.006 -4.894 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.158 -8.328 -2.433 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.622 -8.101 -5.418 1.00 0.00 C ATOM 0 H ILE A 58 0.710 -11.680 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 58 2.337 -9.903 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.688 -10.053 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.415 -8.475 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.546 -9.870 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.658 -7.670 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.032 -8.711 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.094 -7.770 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.387 -7.803 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.574 -8.631 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.692 -7.214 -4.789 1.00 0.00 H new ATOM 952 N THR A 59 2.165 -10.838 -0.772 1.00 0.00 N ATOM 953 CA THR A 59 2.231 -11.392 0.588 1.00 0.00 C ATOM 954 C THR A 59 2.486 -10.249 1.580 1.00 0.00 C ATOM 955 O THR A 59 2.764 -9.111 1.165 1.00 0.00 O ATOM 956 CB THR A 59 3.377 -12.469 0.671 1.00 0.00 C ATOM 957 OG1 THR A 59 4.541 -11.977 -0.020 1.00 0.00 O ATOM 958 CG2 THR A 59 2.968 -13.823 0.060 1.00 0.00 C ATOM 0 H THR A 59 2.940 -10.209 -0.982 1.00 0.00 H new ATOM 0 HA THR A 59 1.288 -11.878 0.839 1.00 0.00 H new ATOM 0 HB THR A 59 3.587 -12.636 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.258 -12.644 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.797 -14.526 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.102 -14.216 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.715 -13.686 -0.991 1.00 0.00 H new ATOM 966 N ARG A 60 2.378 -10.551 2.880 1.00 0.00 N ATOM 967 CA ARG A 60 2.651 -9.572 3.941 1.00 0.00 C ATOM 968 C ARG A 60 4.162 -9.254 3.990 1.00 0.00 C ATOM 969 O ARG A 60 4.993 -10.166 3.992 1.00 0.00 O ATOM 970 CB ARG A 60 2.138 -10.070 5.318 1.00 0.00 C ATOM 971 CG ARG A 60 2.392 -9.078 6.474 1.00 0.00 C ATOM 972 CD ARG A 60 1.819 -9.541 7.813 1.00 0.00 C ATOM 973 NE ARG A 60 2.172 -8.608 8.898 1.00 0.00 N ATOM 974 CZ ARG A 60 1.327 -8.127 9.822 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.026 -8.395 9.764 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.784 -7.340 10.782 1.00 0.00 N ATOM 0 H ARG A 60 2.102 -11.471 3.224 1.00 0.00 H new ATOM 0 HA ARG A 60 2.109 -8.655 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.068 -10.265 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.620 -11.019 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.466 -8.925 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.956 -8.113 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.735 -9.622 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.197 -10.536 8.048 1.00 0.00 H new ATOM 0 HE ARG A 60 3.143 -8.301 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.342 -8.974 9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.604 -8.022 10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.775 -7.101 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.145 -6.972 11.487 1.00 0.00 H new ATOM 990 N GLY A 61 4.493 -7.951 4.009 1.00 0.00 N ATOM 991 CA GLY A 61 5.879 -7.479 4.006 1.00 0.00 C ATOM 992 C GLY A 61 6.403 -7.147 2.621 1.00 0.00 C ATOM 993 O GLY A 61 7.433 -6.480 2.506 1.00 0.00 O ATOM 0 H GLY A 61 3.803 -7.200 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.954 -6.593 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.515 -8.243 4.453 1.00 0.00 H new ATOM 997 N ALA A 62 5.690 -7.612 1.573 1.00 0.00 N ATOM 998 CA ALA A 62 6.078 -7.374 0.169 1.00 0.00 C ATOM 999 C ALA A 62 5.915 -5.891 -0.185 1.00 0.00 C ATOM 1000 O ALA A 62 4.895 -5.268 0.166 1.00 0.00 O ATOM 1001 CB ALA A 62 5.247 -8.254 -0.784 1.00 0.00 C ATOM 0 H ALA A 62 4.835 -8.159 1.676 1.00 0.00 H new ATOM 0 HA ALA A 62 7.127 -7.645 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.550 -8.062 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.413 -9.305 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.189 -8.019 -0.667 1.00 0.00 H new ATOM 1007 N VAL A 63 6.934 -5.324 -0.855 1.00 0.00 N ATOM 1008 CA VAL A 63 6.902 -3.944 -1.335 1.00 0.00 C ATOM 1009 C VAL A 63 6.285 -3.936 -2.729 1.00 0.00 C ATOM 1010 O VAL A 63 6.858 -4.476 -3.686 1.00 0.00 O ATOM 1011 CB VAL A 63 8.336 -3.290 -1.374 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.301 -1.830 -1.893 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.011 -3.377 0.006 1.00 0.00 C ATOM 0 H VAL A 63 7.800 -5.816 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 63 6.305 -3.350 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 63 8.934 -3.860 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.312 -1.423 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.894 -1.813 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.672 -1.226 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.999 -2.920 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.404 -2.850 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.109 -4.423 0.298 1.00 0.00 H new ATOM 1023 N VAL A 64 5.103 -3.338 -2.823 1.00 0.00 N ATOM 1024 CA VAL A 64 4.384 -3.200 -4.077 1.00 0.00 C ATOM 1025 C VAL A 64 4.547 -1.757 -4.579 1.00 0.00 C ATOM 1026 O VAL A 64 4.522 -0.794 -3.801 1.00 0.00 O ATOM 1027 CB VAL A 64 2.867 -3.596 -3.927 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.717 -5.109 -3.607 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.148 -2.738 -2.861 1.00 0.00 C ATOM 0 H VAL A 64 4.616 -2.933 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 64 4.804 -3.888 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 64 2.387 -3.396 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.660 -5.357 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.154 -5.697 -4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.232 -5.336 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.104 -3.045 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.633 -2.877 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.199 -1.687 -3.145 1.00 0.00 H new ATOM 1039 N GLU A 65 4.758 -1.639 -5.882 1.00 0.00 N ATOM 1040 CA GLU A 65 4.877 -0.364 -6.586 1.00 0.00 C ATOM 1041 C GLU A 65 3.460 0.060 -6.996 1.00 0.00 C ATOM 1042 O GLU A 65 2.746 -0.732 -7.606 1.00 0.00 O ATOM 1043 CB GLU A 65 5.807 -0.542 -7.827 1.00 0.00 C ATOM 1044 CG GLU A 65 5.969 0.704 -8.717 1.00 0.00 C ATOM 1045 CD GLU A 65 6.543 1.926 -7.976 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.783 2.002 -7.801 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.760 2.817 -7.576 1.00 0.00 O ATOM 0 H GLU A 65 4.854 -2.447 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 65 5.321 0.407 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.793 -0.850 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.417 -1.356 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.622 0.459 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.998 0.968 -9.137 1.00 0.00 H new ATOM 1054 N THR A 66 3.058 1.283 -6.627 1.00 0.00 N ATOM 1055 CA THR A 66 1.694 1.815 -6.860 1.00 0.00 C ATOM 1056 C THR A 66 1.800 3.242 -7.420 1.00 0.00 C ATOM 1057 O THR A 66 2.894 3.812 -7.463 1.00 0.00 O ATOM 1058 CB THR A 66 0.816 1.833 -5.550 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.363 2.745 -4.581 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.696 0.442 -4.904 1.00 0.00 C ATOM 0 H THR A 66 3.672 1.945 -6.152 1.00 0.00 H new ATOM 0 HA THR A 66 1.201 1.152 -7.571 1.00 0.00 H new ATOM 0 HB THR A 66 -0.179 2.159 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.331 2.823 -4.715 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.082 0.510 -4.006 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.233 -0.248 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.688 0.077 -4.638 1.00 0.00 H new ATOM 1068 N ASN A 67 0.665 3.823 -7.836 1.00 0.00 N ATOM 1069 CA ASN A 67 0.632 5.180 -8.432 1.00 0.00 C ATOM 1070 C ASN A 67 0.883 6.290 -7.382 1.00 0.00 C ATOM 1071 O ASN A 67 1.128 7.443 -7.751 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.714 5.412 -9.166 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.933 5.299 -8.249 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.499 4.221 -8.087 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.336 6.399 -7.636 1.00 0.00 N ATOM 0 H ASN A 67 -0.250 3.377 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 67 1.446 5.238 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.704 6.401 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.808 4.687 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.139 6.368 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.844 7.279 -7.792 1.00 0.00 H new ATOM 1082 N LEU A 68 0.822 5.938 -6.080 1.00 0.00 N ATOM 1083 CA LEU A 68 1.058 6.890 -4.967 1.00 0.00 C ATOM 1084 C LEU A 68 2.510 6.800 -4.449 1.00 0.00 C ATOM 1085 O LEU A 68 2.970 7.691 -3.724 1.00 0.00 O ATOM 1086 CB LEU A 68 0.075 6.601 -3.803 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.445 6.740 -4.125 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.303 6.423 -2.883 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.789 8.136 -4.705 1.00 0.00 C ATOM 0 H LEU A 68 0.609 4.990 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 68 0.891 7.897 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.257 5.587 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.313 7.275 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.682 6.007 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.359 6.527 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.107 5.402 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.051 7.116 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.857 8.190 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.522 8.906 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.230 8.295 -5.627 1.00 0.00 H new ATOM 1101 N GLY A 69 3.212 5.719 -4.820 1.00 0.00 N ATOM 1102 CA GLY A 69 4.548 5.423 -4.298 1.00 0.00 C ATOM 1103 C GLY A 69 4.711 3.936 -4.057 1.00 0.00 C ATOM 1104 O GLY A 69 4.126 3.130 -4.777 1.00 0.00 O ATOM 0 H GLY A 69 2.868 5.029 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.304 5.767 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.709 5.967 -3.367 1.00 0.00 H new ATOM 1108 N ASN A 70 5.501 3.558 -3.049 1.00 0.00 N ATOM 1109 CA ASN A 70 5.708 2.142 -2.678 1.00 0.00 C ATOM 1110 C ASN A 70 5.028 1.864 -1.347 1.00 0.00 C ATOM 1111 O ASN A 70 4.988 2.731 -0.474 1.00 0.00 O ATOM 1112 CB ASN A 70 7.209 1.815 -2.613 1.00 0.00 C ATOM 1113 CG ASN A 70 7.886 2.091 -3.950 1.00 0.00 C ATOM 1114 OD1 ASN A 70 7.837 1.127 -4.864 1.00 0.00 O flip ATOM 1115 ND2 ASN A 70 8.422 3.174 -4.169 1.00 0.00 N flip ATOM 0 H ASN A 70 6.017 4.216 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 70 5.264 1.500 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.681 2.411 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.345 0.768 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.440 3.890 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.849 3.357 -5.077 1.00 0.00 H new ATOM 1122 N VAL A 71 4.449 0.670 -1.210 1.00 0.00 N ATOM 1123 CA VAL A 71 3.649 0.288 -0.038 1.00 0.00 C ATOM 1124 C VAL A 71 4.149 -1.058 0.521 1.00 0.00 C ATOM 1125 O VAL A 71 4.567 -1.928 -0.242 1.00 0.00 O ATOM 1126 CB VAL A 71 2.121 0.165 -0.442 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.202 -0.050 0.778 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.649 1.381 -1.276 1.00 0.00 C ATOM 0 H VAL A 71 4.521 -0.066 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 71 3.755 1.056 0.728 1.00 0.00 H new ATOM 0 HB VAL A 71 2.043 -0.725 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.167 -0.128 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.488 -0.968 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.301 0.794 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.597 1.259 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.777 2.293 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.240 1.448 -2.189 1.00 0.00 H new ATOM 1138 N ARG A 72 4.100 -1.207 1.854 1.00 0.00 N ATOM 1139 CA ARG A 72 4.298 -2.499 2.537 1.00 0.00 C ATOM 1140 C ARG A 72 2.924 -3.091 2.771 1.00 0.00 C ATOM 1141 O ARG A 72 2.093 -2.440 3.398 1.00 0.00 O ATOM 1142 CB ARG A 72 5.006 -2.331 3.912 1.00 0.00 C ATOM 1143 CG ARG A 72 6.499 -2.014 3.835 1.00 0.00 C ATOM 1144 CD ARG A 72 7.316 -3.148 3.219 1.00 0.00 C ATOM 1145 NE ARG A 72 8.757 -2.827 3.192 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.731 -3.578 3.724 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.443 -4.712 4.358 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.993 -3.193 3.606 1.00 0.00 N ATOM 0 H ARG A 72 3.921 -0.432 2.493 1.00 0.00 H new ATOM 0 HA ARG A 72 4.929 -3.137 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.509 -1.534 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.874 -3.248 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.643 -1.108 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.873 -1.806 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.157 -4.063 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.966 -3.340 2.205 1.00 0.00 H new ATOM 0 HE ARG A 72 9.034 -1.961 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.473 -5.017 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.192 -5.276 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.219 -2.329 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.739 -3.760 4.009 1.00 0.00 H new ATOM 1162 N VAL A 73 2.677 -4.310 2.284 1.00 0.00 N ATOM 1163 CA VAL A 73 1.384 -4.970 2.503 1.00 0.00 C ATOM 1164 C VAL A 73 1.361 -5.485 3.958 1.00 0.00 C ATOM 1165 O VAL A 73 1.911 -6.540 4.259 1.00 0.00 O ATOM 1166 CB VAL A 73 1.166 -6.132 1.456 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.210 -6.815 1.633 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.347 -5.610 0.007 1.00 0.00 C ATOM 0 H VAL A 73 3.346 -4.856 1.741 1.00 0.00 H new ATOM 0 HA VAL A 73 0.562 -4.270 2.356 1.00 0.00 H new ATOM 0 HB VAL A 73 1.928 -6.889 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.320 -7.608 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.279 -7.240 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.002 -6.079 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.192 -6.428 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.621 -4.821 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.355 -5.214 -0.114 1.00 0.00 H new ATOM 1178 N THR A 74 0.785 -4.677 4.868 1.00 0.00 N ATOM 1179 CA THR A 74 0.712 -4.999 6.308 1.00 0.00 C ATOM 1180 C THR A 74 -0.501 -5.874 6.615 1.00 0.00 C ATOM 1181 O THR A 74 -0.425 -6.798 7.430 1.00 0.00 O ATOM 1182 CB THR A 74 0.668 -3.691 7.162 1.00 0.00 C ATOM 1183 OG1 THR A 74 -0.352 -2.810 6.653 1.00 0.00 O ATOM 1184 CG2 THR A 74 2.021 -2.957 7.149 1.00 0.00 C ATOM 0 H THR A 74 0.357 -3.783 4.627 1.00 0.00 H new ATOM 0 HA THR A 74 1.610 -5.558 6.572 1.00 0.00 H new ATOM 0 HB THR A 74 0.443 -3.975 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.488 -2.070 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.950 -2.053 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.792 -3.609 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.280 -2.689 6.125 1.00 0.00 H new ATOM 1192 N SER A 75 -1.625 -5.564 5.957 1.00 0.00 N ATOM 1193 CA SER A 75 -2.841 -6.382 6.038 1.00 0.00 C ATOM 1194 C SER A 75 -2.693 -7.627 5.154 1.00 0.00 C ATOM 1195 O SER A 75 -1.782 -7.708 4.318 1.00 0.00 O ATOM 1196 CB SER A 75 -4.066 -5.556 5.596 1.00 0.00 C ATOM 1197 OG SER A 75 -4.175 -4.359 6.343 1.00 0.00 O ATOM 0 H SER A 75 -1.717 -4.744 5.357 1.00 0.00 H new ATOM 0 HA SER A 75 -2.988 -6.698 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.984 -5.319 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.972 -6.149 5.721 1.00 0.00 H new ATOM 0 HG SER A 75 -5.045 -3.942 6.168 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.571 -8.607 5.373 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.665 -9.780 4.511 1.00 0.00 C ATOM 1205 C ARG A 76 -4.151 -9.350 3.106 1.00 0.00 C ATOM 1206 O ARG A 76 -5.143 -8.613 3.000 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.615 -10.840 5.137 1.00 0.00 C ATOM 1208 CG ARG A 76 -4.074 -11.492 6.429 1.00 0.00 C ATOM 1209 CD ARG A 76 -2.760 -12.257 6.192 1.00 0.00 C ATOM 1210 NE ARG A 76 -2.314 -13.001 7.380 1.00 0.00 N ATOM 1211 CZ ARG A 76 -1.531 -14.097 7.360 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -1.102 -14.625 6.209 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -1.168 -14.659 8.499 1.00 0.00 N ATOM 0 H ARG A 76 -4.233 -8.608 6.149 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.681 -10.238 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.573 -10.369 5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.804 -11.621 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.912 -10.721 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.823 -12.176 6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.893 -12.951 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.982 -11.553 5.896 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.622 -12.660 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.367 -14.197 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.510 -15.455 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.480 -14.263 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.575 -15.489 8.492 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.451 -9.784 2.005 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.878 -9.514 0.594 1.00 0.00 C ATOM 1229 C PRO A 77 -5.040 -10.448 0.136 1.00 0.00 C ATOM 1230 O PRO A 77 -5.063 -10.945 -1.002 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.573 -9.792 -0.190 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.902 -10.874 0.598 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.165 -10.543 2.046 1.00 0.00 C ATOM 0 HA PRO A 77 -4.279 -8.511 0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.781 -10.112 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.949 -8.901 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.304 -11.854 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.832 -10.904 0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.250 -11.444 2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.360 -9.945 2.473 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.012 -10.624 1.033 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.106 -11.567 0.891 1.00 0.00 C ATOM 1243 C GLY A 78 -8.124 -11.330 1.988 1.00 0.00 C ATOM 1244 O GLY A 78 -8.424 -10.164 2.269 1.00 0.00 O ATOM 0 H GLY A 78 -6.054 -10.094 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.575 -11.451 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.729 -12.588 0.945 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.643 -12.420 2.598 1.00 0.00 N ATOM 1249 CA GLN A 79 -9.688 -12.379 3.653 1.00 0.00 C ATOM 1250 C GLN A 79 -11.028 -11.892 3.056 1.00 0.00 C ATOM 1251 O GLN A 79 -11.965 -12.679 2.886 1.00 0.00 O ATOM 1252 CB GLN A 79 -9.207 -11.551 4.907 1.00 0.00 C ATOM 1253 CG GLN A 79 -10.209 -11.425 6.094 1.00 0.00 C ATOM 1254 CD GLN A 79 -11.189 -10.238 5.985 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -10.863 -9.194 5.419 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -12.387 -10.389 6.523 1.00 0.00 N ATOM 0 H GLN A 79 -8.345 -13.368 2.369 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.864 -13.387 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.291 -12.006 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.950 -10.546 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.784 -12.348 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.644 -11.328 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.631 -11.264 6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.067 -9.630 6.475 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.097 -10.591 2.741 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.215 -9.974 1.990 1.00 0.00 C ATOM 1267 C ASP A 80 -11.912 -9.983 0.471 1.00 0.00 C ATOM 1268 O ASP A 80 -12.801 -9.778 -0.350 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.435 -8.524 2.503 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.555 -7.757 1.770 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.732 -8.168 1.856 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.269 -6.742 1.097 1.00 0.00 O ATOM 0 H ASP A 80 -10.371 -9.923 3.001 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.126 -10.550 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.670 -8.559 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.503 -7.969 2.400 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.648 -10.269 0.117 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.160 -10.197 -1.267 1.00 0.00 C ATOM 1279 C GLY A 81 -9.505 -8.865 -1.597 1.00 0.00 C ATOM 1280 O GLY A 81 -8.947 -8.691 -2.691 1.00 0.00 O ATOM 0 H GLY A 81 -9.935 -10.558 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.443 -11.000 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.993 -10.365 -1.949 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.582 -7.913 -0.652 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.974 -6.584 -0.802 1.00 0.00 C ATOM 1286 C VAL A 82 -7.559 -6.598 -0.191 1.00 0.00 C ATOM 1287 O VAL A 82 -7.311 -7.262 0.827 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.863 -5.456 -0.142 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.987 -5.618 1.396 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.358 -4.040 -0.524 1.00 0.00 C ATOM 0 H VAL A 82 -10.067 -8.045 0.235 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.906 -6.352 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.867 -5.574 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.608 -4.817 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.444 -6.581 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.996 -5.570 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.992 -3.288 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.331 -3.915 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.396 -3.920 -1.607 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.629 -5.902 -0.858 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.254 -5.713 -0.371 1.00 0.00 C ATOM 1302 C ILE A 83 -5.183 -4.355 0.353 1.00 0.00 C ATOM 1303 O ILE A 83 -5.891 -3.417 -0.022 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.223 -5.763 -1.571 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.501 -7.018 -2.465 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.753 -5.758 -1.068 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.659 -7.117 -3.721 1.00 0.00 C ATOM 0 H ILE A 83 -6.809 -5.452 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.990 -6.515 0.318 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.361 -4.863 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.337 -7.914 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.553 -7.014 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.076 -5.793 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.568 -4.849 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.582 -6.628 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.928 -8.020 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.838 -6.244 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.604 -7.158 -3.450 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.348 -4.266 1.391 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.172 -3.034 2.186 1.00 0.00 C ATOM 1321 C ASN A 84 -2.759 -3.026 2.789 1.00 0.00 C ATOM 1322 O ASN A 84 -2.176 -4.093 3.037 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.261 -2.955 3.299 1.00 0.00 C ATOM 1324 CG ASN A 84 -5.198 -1.673 4.144 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -5.885 -0.695 3.865 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -4.383 -1.673 5.190 1.00 0.00 N ATOM 0 H ASN A 84 -3.771 -5.044 1.710 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.287 -2.158 1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.245 -3.025 2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.157 -3.817 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.316 -0.847 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.823 -2.499 5.400 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.212 -1.823 3.031 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.861 -1.686 3.575 1.00 0.00 C ATOM 1335 C GLY A 85 -0.539 -0.266 4.019 1.00 0.00 C ATOM 1336 O GLY A 85 -1.438 0.565 4.120 1.00 0.00 O ATOM 0 H GLY A 85 -2.687 -0.937 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.747 -2.361 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.138 -1.997 2.821 1.00 0.00 H new ATOM 1340 N VAL A 86 0.758 0.011 4.285 1.00 0.00 N ATOM 1341 CA VAL A 86 1.243 1.341 4.733 1.00 0.00 C ATOM 1342 C VAL A 86 2.205 1.960 3.688 1.00 0.00 C ATOM 1343 O VAL A 86 3.106 1.282 3.180 1.00 0.00 O ATOM 1344 CB VAL A 86 1.919 1.285 6.162 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.903 0.838 7.243 1.00 0.00 C ATOM 1346 CG2 VAL A 86 3.183 0.392 6.172 1.00 0.00 C ATOM 0 H VAL A 86 1.501 -0.682 4.195 1.00 0.00 H new ATOM 0 HA VAL A 86 0.368 1.985 4.821 1.00 0.00 H new ATOM 0 HB VAL A 86 2.244 2.297 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.395 0.808 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.074 1.545 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.524 -0.154 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.614 0.383 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.913 -0.624 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.913 0.787 5.466 1.00 0.00 H new ATOM 1356 N LEU A 87 1.981 3.247 3.354 1.00 0.00 N ATOM 1357 CA LEU A 87 2.754 3.967 2.321 1.00 0.00 C ATOM 1358 C LEU A 87 4.189 4.268 2.808 1.00 0.00 C ATOM 1359 O LEU A 87 4.403 5.132 3.663 1.00 0.00 O ATOM 1360 CB LEU A 87 2.018 5.281 1.944 1.00 0.00 C ATOM 1361 CG LEU A 87 2.654 6.153 0.807 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.863 5.348 -0.498 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.789 7.412 0.543 1.00 0.00 C ATOM 0 H LEU A 87 1.258 3.817 3.793 1.00 0.00 H new ATOM 0 HA LEU A 87 2.832 3.333 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.001 5.026 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.943 5.896 2.841 1.00 0.00 H new ATOM 0 HG LEU A 87 3.640 6.467 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.306 5.993 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.528 4.507 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.902 4.976 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.244 8.007 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.787 7.108 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.726 8.008 1.454 1.00 0.00 H new ATOM 1375 N ILE A 88 5.158 3.520 2.266 1.00 0.00 N ATOM 1376 CA ILE A 88 6.594 3.730 2.531 1.00 0.00 C ATOM 1377 C ILE A 88 7.228 4.566 1.403 1.00 0.00 C ATOM 1378 O ILE A 88 6.591 4.837 0.383 1.00 0.00 O ATOM 1379 CB ILE A 88 7.360 2.364 2.701 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.326 1.527 1.375 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.773 1.564 3.890 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.137 0.243 1.386 1.00 0.00 C ATOM 0 H ILE A 88 4.971 2.747 1.627 1.00 0.00 H new ATOM 0 HA ILE A 88 6.682 4.276 3.471 1.00 0.00 H new ATOM 0 HB ILE A 88 8.406 2.580 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.289 1.278 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.686 2.156 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.312 0.622 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.875 2.146 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.718 1.360 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.043 -0.255 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.185 0.476 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.766 -0.415 2.172 1.00 0.00 H new ATOM 1394 N ARG A 89 8.489 4.976 1.607 1.00 0.00 N ATOM 1395 CA ARG A 89 9.206 5.907 0.705 1.00 0.00 C ATOM 1396 C ARG A 89 10.404 5.195 0.047 1.00 0.00 C ATOM 1397 O ARG A 89 11.325 5.853 -0.459 1.00 0.00 O ATOM 1398 CB ARG A 89 9.689 7.144 1.536 1.00 0.00 C ATOM 1399 CG ARG A 89 8.672 7.680 2.572 1.00 0.00 C ATOM 1400 CD ARG A 89 7.334 8.117 1.953 1.00 0.00 C ATOM 1401 NE ARG A 89 6.302 8.248 2.982 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.033 8.614 2.769 1.00 0.00 C ATOM 1403 NH1 ARG A 89 4.617 8.992 1.566 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.188 8.619 3.785 1.00 0.00 N ATOM 0 H ARG A 89 9.048 4.673 2.405 1.00 0.00 H new ATOM 0 HA ARG A 89 8.537 6.242 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.607 6.875 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.939 7.950 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.483 6.907 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.113 8.527 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.461 9.068 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.019 7.388 1.206 1.00 0.00 H new ATOM 0 HE ARG A 89 6.573 8.043 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.270 9.007 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.645 9.267 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.507 8.346 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.217 8.895 3.639 1.00 0.00 H new ATOM 1418 N GLU A 90 10.345 3.847 0.020 1.00 0.00 N ATOM 1419 CA GLU A 90 11.508 2.991 -0.252 1.00 0.00 C ATOM 1420 C GLU A 90 12.059 3.174 -1.680 1.00 0.00 C ATOM 1421 O GLU A 90 13.077 3.845 -1.847 1.00 0.00 O ATOM 1422 CB GLU A 90 11.155 1.512 0.023 1.00 0.00 C ATOM 1423 CG GLU A 90 12.353 0.550 0.002 1.00 0.00 C ATOM 1424 CD GLU A 90 11.939 -0.903 0.251 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.750 -1.291 1.428 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.793 -1.657 -0.721 1.00 0.00 O ATOM 0 H GLU A 90 9.485 3.325 0.187 1.00 0.00 H new ATOM 0 HA GLU A 90 12.305 3.299 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.669 1.444 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.429 1.182 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.856 0.621 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.074 0.855 0.761 1.00 0.00 H new ATOM 1433 N LEU A 91 11.369 2.607 -2.696 1.00 0.00 N ATOM 1434 CA LEU A 91 11.861 2.586 -4.094 1.00 0.00 C ATOM 1435 C LEU A 91 11.562 3.933 -4.788 1.00 0.00 C ATOM 1436 O LEU A 91 10.693 4.038 -5.661 1.00 0.00 O ATOM 1437 CB LEU A 91 11.235 1.396 -4.881 1.00 0.00 C ATOM 1438 CG LEU A 91 11.419 -0.027 -4.271 1.00 0.00 C ATOM 1439 CD1 LEU A 91 10.601 -1.078 -5.062 1.00 0.00 C ATOM 1440 CD2 LEU A 91 12.913 -0.409 -4.193 1.00 0.00 C ATOM 0 H LEU A 91 10.463 2.155 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 91 12.942 2.443 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.167 1.584 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.659 1.392 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 91 11.034 -0.011 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.746 -2.062 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.543 -0.817 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.937 -1.096 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.012 -1.406 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.343 -0.401 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.440 0.310 -3.566 1.00 0.00 H new