USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -1.34 K(o=-2.2,f=-3.7!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.856 K(o=-2.2,f=-7.1!) USER MOD Single : A 23 THR OG1 : rot 37:sc= 0.118 USER MOD Single : A 32 THR OG1 : rot -72:sc= 0.125 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.153 K(o=-0.15,f=-5.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 66 THR OG1 : rot -55:sc= 1.53 USER MOD Single : A 67 ASN : amide:sc= -0.288 K(o=-0.29,f=-7.5!) USER MOD Single : A 70 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 75 SER OG : rot -150:sc= -0.426 USER MOD Single : A 79 GLN : amide:sc=-0.00202 K(o=-0.002,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -6.063 -4.116 -10.137 1.00 0.00 N ATOM 367 CA THR A 23 -5.395 -4.513 -8.889 1.00 0.00 C ATOM 368 C THR A 23 -5.309 -3.305 -7.940 1.00 0.00 C ATOM 369 O THR A 23 -4.608 -2.323 -8.221 1.00 0.00 O ATOM 370 CB THR A 23 -3.976 -5.087 -9.177 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.091 -6.167 -10.113 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.278 -5.591 -7.902 1.00 0.00 C ATOM 0 HA THR A 23 -5.981 -5.298 -8.412 1.00 0.00 H new ATOM 0 HB THR A 23 -3.367 -4.280 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.791 -5.960 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.293 -5.981 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.171 -4.767 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.875 -6.382 -7.449 1.00 0.00 H new ATOM 380 N ARG A 24 -6.065 -3.369 -6.836 1.00 0.00 N ATOM 381 CA ARG A 24 -6.200 -2.251 -5.894 1.00 0.00 C ATOM 382 C ARG A 24 -5.671 -2.616 -4.509 1.00 0.00 C ATOM 383 O ARG A 24 -5.668 -3.790 -4.105 1.00 0.00 O ATOM 384 CB ARG A 24 -7.673 -1.787 -5.795 1.00 0.00 C ATOM 385 CG ARG A 24 -8.267 -1.207 -7.096 1.00 0.00 C ATOM 386 CD ARG A 24 -7.530 0.041 -7.611 1.00 0.00 C ATOM 387 NE ARG A 24 -8.307 0.730 -8.660 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.449 2.062 -8.774 1.00 0.00 C ATOM 389 NH1 ARG A 24 -7.890 2.883 -7.890 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.149 2.563 -9.775 1.00 0.00 N ATOM 0 H ARG A 24 -6.599 -4.196 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.598 -1.429 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.284 -2.634 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.748 -1.032 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.245 -1.975 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.314 -0.955 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.347 0.725 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.556 -0.247 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.774 0.148 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.346 2.504 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.005 3.892 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.580 1.940 -10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.259 3.573 -9.865 1.00 0.00 H new ATOM 404 N ILE A 25 -5.233 -1.575 -3.801 1.00 0.00 N ATOM 405 CA ILE A 25 -4.741 -1.659 -2.430 1.00 0.00 C ATOM 406 C ILE A 25 -5.209 -0.421 -1.653 1.00 0.00 C ATOM 407 O ILE A 25 -5.261 0.687 -2.210 1.00 0.00 O ATOM 408 CB ILE A 25 -3.170 -1.768 -2.401 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.606 -1.863 -0.939 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.513 -0.598 -3.176 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.121 -2.175 -0.848 1.00 0.00 C ATOM 0 H ILE A 25 -5.211 -0.627 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.142 -2.557 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.909 -2.699 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.797 -0.919 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.158 -2.633 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.428 -0.700 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.844 -0.618 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.804 0.349 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.822 -2.221 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.921 -3.135 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.553 -1.394 -1.353 1.00 0.00 H new ATOM 423 N ASN A 26 -5.567 -0.602 -0.381 1.00 0.00 N ATOM 424 CA ASN A 26 -5.904 0.511 0.502 1.00 0.00 C ATOM 425 C ASN A 26 -4.610 0.940 1.198 1.00 0.00 C ATOM 426 O ASN A 26 -4.134 0.280 2.130 1.00 0.00 O ATOM 427 CB ASN A 26 -6.999 0.091 1.507 1.00 0.00 C ATOM 428 CG ASN A 26 -8.328 -0.263 0.823 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.685 0.304 -0.211 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.056 -1.223 1.371 1.00 0.00 N ATOM 0 H ASN A 26 -5.631 -1.519 0.062 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.314 1.352 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.650 -0.768 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.165 0.901 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.934 -1.508 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.739 -1.677 2.227 1.00 0.00 H new ATOM 437 N VAL A 27 -4.025 2.024 0.688 1.00 0.00 N ATOM 438 CA VAL A 27 -2.746 2.563 1.135 1.00 0.00 C ATOM 439 C VAL A 27 -2.981 3.498 2.315 1.00 0.00 C ATOM 440 O VAL A 27 -3.608 4.555 2.156 1.00 0.00 O ATOM 441 CB VAL A 27 -2.043 3.351 -0.032 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.698 3.972 0.418 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.850 2.448 -1.266 1.00 0.00 C ATOM 0 H VAL A 27 -4.442 2.565 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.099 1.739 1.438 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.701 4.175 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.246 4.507 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.875 4.666 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.025 3.181 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.362 3.015 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.230 1.593 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.821 2.097 -1.615 1.00 0.00 H new ATOM 453 N VAL A 28 -2.502 3.097 3.494 1.00 0.00 N ATOM 454 CA VAL A 28 -2.587 3.904 4.704 1.00 0.00 C ATOM 455 C VAL A 28 -1.279 4.684 4.847 1.00 0.00 C ATOM 456 O VAL A 28 -0.245 4.116 5.227 1.00 0.00 O ATOM 457 CB VAL A 28 -2.827 3.012 5.983 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.028 3.882 7.248 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.016 2.038 5.785 1.00 0.00 C ATOM 0 H VAL A 28 -2.042 2.197 3.633 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.436 4.583 4.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.929 2.411 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.191 3.237 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.141 4.493 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.894 4.529 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.151 1.440 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.924 2.608 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.810 1.380 4.941 1.00 0.00 H new ATOM 469 N ASP A 29 -1.315 5.966 4.456 1.00 0.00 N ATOM 470 CA ASP A 29 -0.205 6.895 4.677 1.00 0.00 C ATOM 471 C ASP A 29 -0.024 7.076 6.202 1.00 0.00 C ATOM 472 O ASP A 29 -0.921 7.601 6.847 1.00 0.00 O ATOM 473 CB ASP A 29 -0.492 8.253 3.979 1.00 0.00 C ATOM 474 CG ASP A 29 0.692 9.238 4.071 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.820 9.947 5.099 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.504 9.304 3.119 1.00 0.00 O ATOM 0 H ASP A 29 -2.114 6.384 3.979 1.00 0.00 H new ATOM 0 HA ASP A 29 0.715 6.498 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.728 8.074 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.373 8.709 4.431 1.00 0.00 H new ATOM 481 N PRO A 30 1.111 6.620 6.806 1.00 0.00 N ATOM 482 CA PRO A 30 1.281 6.609 8.281 1.00 0.00 C ATOM 483 C PRO A 30 1.636 7.994 8.874 1.00 0.00 C ATOM 484 O PRO A 30 1.793 8.126 10.094 1.00 0.00 O ATOM 485 CB PRO A 30 2.426 5.583 8.476 1.00 0.00 C ATOM 486 CG PRO A 30 3.271 5.738 7.244 1.00 0.00 C ATOM 487 CD PRO A 30 2.317 6.089 6.116 1.00 0.00 C ATOM 0 HA PRO A 30 0.360 6.350 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.998 5.791 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.040 4.568 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.017 6.521 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.811 4.817 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.750 6.831 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.077 5.214 5.512 1.00 0.00 H new ATOM 495 N GLU A 31 1.771 9.014 8.011 1.00 0.00 N ATOM 496 CA GLU A 31 2.154 10.376 8.421 1.00 0.00 C ATOM 497 C GLU A 31 0.884 11.201 8.697 1.00 0.00 C ATOM 498 O GLU A 31 0.734 11.813 9.762 1.00 0.00 O ATOM 499 CB GLU A 31 2.993 11.041 7.286 1.00 0.00 C ATOM 500 CG GLU A 31 4.049 10.126 6.627 1.00 0.00 C ATOM 501 CD GLU A 31 5.197 9.740 7.570 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.208 10.480 7.633 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.111 8.688 8.231 1.00 0.00 O ATOM 0 H GLU A 31 1.617 8.918 7.007 1.00 0.00 H new ATOM 0 HA GLU A 31 2.755 10.335 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.312 11.398 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.498 11.916 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.561 9.219 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.461 10.630 5.753 1.00 0.00 H new ATOM 510 N THR A 32 -0.016 11.201 7.698 1.00 0.00 N ATOM 511 CA THR A 32 -1.294 11.931 7.728 1.00 0.00 C ATOM 512 C THR A 32 -2.446 11.050 8.238 1.00 0.00 C ATOM 513 O THR A 32 -3.373 11.543 8.885 1.00 0.00 O ATOM 514 CB THR A 32 -1.640 12.444 6.292 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.688 11.333 5.383 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.623 13.472 5.778 1.00 0.00 C ATOM 0 H THR A 32 0.128 10.683 6.831 1.00 0.00 H new ATOM 0 HA THR A 32 -1.178 12.769 8.415 1.00 0.00 H new ATOM 0 HB THR A 32 -2.611 12.937 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.780 11.001 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.908 13.797 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.605 14.332 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.367 13.018 5.744 1.00 0.00 H new ATOM 524 N GLY A 33 -2.363 9.747 7.937 1.00 0.00 N ATOM 525 CA GLY A 33 -3.438 8.787 8.231 1.00 0.00 C ATOM 526 C GLY A 33 -4.399 8.588 7.057 1.00 0.00 C ATOM 527 O GLY A 33 -5.415 7.896 7.209 1.00 0.00 O ATOM 0 H GLY A 33 -1.551 9.328 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.997 7.827 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.000 9.133 9.099 1.00 0.00 H new ATOM 531 N LYS A 34 -4.074 9.180 5.882 1.00 0.00 N ATOM 532 CA LYS A 34 -4.929 9.108 4.679 1.00 0.00 C ATOM 533 C LYS A 34 -4.935 7.683 4.090 1.00 0.00 C ATOM 534 O LYS A 34 -3.929 7.230 3.533 1.00 0.00 O ATOM 535 CB LYS A 34 -4.454 10.121 3.592 1.00 0.00 C ATOM 536 CG LYS A 34 -4.522 11.608 4.002 1.00 0.00 C ATOM 537 CD LYS A 34 -5.962 12.107 4.290 1.00 0.00 C ATOM 538 CE LYS A 34 -6.000 13.604 4.651 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.380 14.102 4.885 1.00 0.00 N ATOM 0 H LYS A 34 -3.217 9.716 5.745 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.942 9.369 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.426 9.882 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.060 9.980 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.909 11.760 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.088 12.216 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.587 11.930 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.388 11.527 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.400 13.773 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.542 14.179 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.348 15.114 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.948 13.967 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.811 13.574 5.671 1.00 0.00 H new ATOM 553 N VAL A 35 -6.065 6.978 4.253 1.00 0.00 N ATOM 554 CA VAL A 35 -6.301 5.671 3.623 1.00 0.00 C ATOM 555 C VAL A 35 -6.982 5.906 2.264 1.00 0.00 C ATOM 556 O VAL A 35 -8.076 6.488 2.218 1.00 0.00 O ATOM 557 CB VAL A 35 -7.207 4.746 4.523 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.303 3.319 3.940 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.712 4.711 5.986 1.00 0.00 C ATOM 0 H VAL A 35 -6.844 7.300 4.828 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.345 5.163 3.494 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.208 5.178 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.934 2.705 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.736 3.363 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.307 2.881 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.362 4.063 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.693 4.326 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.732 5.719 6.401 1.00 0.00 H new ATOM 569 N GLU A 36 -6.347 5.468 1.171 1.00 0.00 N ATOM 570 CA GLU A 36 -6.827 5.735 -0.198 1.00 0.00 C ATOM 571 C GLU A 36 -6.586 4.515 -1.099 1.00 0.00 C ATOM 572 O GLU A 36 -5.569 3.839 -0.969 1.00 0.00 O ATOM 573 CB GLU A 36 -6.117 6.984 -0.782 1.00 0.00 C ATOM 574 CG GLU A 36 -6.608 7.415 -2.187 1.00 0.00 C ATOM 575 CD GLU A 36 -5.843 8.619 -2.760 1.00 0.00 C ATOM 576 OE1 GLU A 36 -6.120 9.766 -2.345 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.955 8.429 -3.615 1.00 0.00 O ATOM 0 H GLU A 36 -5.488 4.919 1.206 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.899 5.929 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.255 7.818 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.046 6.785 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.510 6.573 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.669 7.660 -2.133 1.00 0.00 H new ATOM 584 N ILE A 37 -7.533 4.265 -2.015 1.00 0.00 N ATOM 585 CA ILE A 37 -7.462 3.156 -2.973 1.00 0.00 C ATOM 586 C ILE A 37 -6.485 3.518 -4.117 1.00 0.00 C ATOM 587 O ILE A 37 -6.662 4.541 -4.789 1.00 0.00 O ATOM 588 CB ILE A 37 -8.894 2.824 -3.545 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.888 2.484 -2.378 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.826 1.675 -4.580 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.310 2.184 -2.821 1.00 0.00 C ATOM 0 H ILE A 37 -8.375 4.832 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.092 2.268 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.270 3.707 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.503 1.623 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.908 3.322 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.827 1.466 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.179 1.968 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.424 0.780 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.924 1.961 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.720 3.050 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.308 1.326 -3.493 1.00 0.00 H new ATOM 603 N ALA A 38 -5.474 2.672 -4.330 1.00 0.00 N ATOM 604 CA ALA A 38 -4.401 2.905 -5.312 1.00 0.00 C ATOM 605 C ALA A 38 -4.280 1.707 -6.254 1.00 0.00 C ATOM 606 O ALA A 38 -4.686 0.594 -5.901 1.00 0.00 O ATOM 607 CB ALA A 38 -3.071 3.158 -4.586 1.00 0.00 C ATOM 0 H ALA A 38 -5.372 1.794 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.646 3.786 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.283 3.329 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.167 4.035 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.818 2.290 -3.977 1.00 0.00 H new ATOM 613 N GLU A 39 -3.695 1.946 -7.436 1.00 0.00 N ATOM 614 CA GLU A 39 -3.493 0.914 -8.470 1.00 0.00 C ATOM 615 C GLU A 39 -2.058 0.384 -8.359 1.00 0.00 C ATOM 616 O GLU A 39 -1.105 1.167 -8.471 1.00 0.00 O ATOM 617 CB GLU A 39 -3.733 1.477 -9.904 1.00 0.00 C ATOM 618 CG GLU A 39 -5.108 2.158 -10.131 1.00 0.00 C ATOM 619 CD GLU A 39 -5.117 3.659 -9.768 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.342 4.011 -8.588 1.00 0.00 O ATOM 621 OE2 GLU A 39 -4.903 4.497 -10.670 1.00 0.00 O ATOM 0 H GLU A 39 -3.346 2.865 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.214 0.114 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.948 2.199 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.629 0.660 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.394 2.043 -11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.863 1.643 -9.536 1.00 0.00 H new ATOM 628 N ILE A 40 -1.905 -0.933 -8.129 1.00 0.00 N ATOM 629 CA ILE A 40 -0.584 -1.571 -8.016 1.00 0.00 C ATOM 630 C ILE A 40 0.013 -1.764 -9.424 1.00 0.00 C ATOM 631 O ILE A 40 -0.505 -2.538 -10.235 1.00 0.00 O ATOM 632 CB ILE A 40 -0.661 -2.940 -7.238 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.264 -2.700 -5.819 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.728 -3.631 -7.156 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.369 -3.923 -4.936 1.00 0.00 C ATOM 0 H ILE A 40 -2.687 -1.578 -8.017 1.00 0.00 H new ATOM 0 HA ILE A 40 0.068 -0.918 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.314 -3.618 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.655 -1.956 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.260 -2.272 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.635 -4.571 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.096 -3.828 -8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.429 -2.979 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.801 -3.642 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.006 -4.665 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.376 -4.344 -4.778 1.00 0.00 H new ATOM 647 N ARG A 41 1.093 -1.020 -9.689 1.00 0.00 N ATOM 648 CA ARG A 41 1.801 -1.010 -10.975 1.00 0.00 C ATOM 649 C ARG A 41 2.755 -2.215 -11.093 1.00 0.00 C ATOM 650 O ARG A 41 2.884 -2.813 -12.166 1.00 0.00 O ATOM 651 CB ARG A 41 2.575 0.331 -11.115 1.00 0.00 C ATOM 652 CG ARG A 41 1.679 1.588 -10.983 1.00 0.00 C ATOM 653 CD ARG A 41 2.424 2.894 -11.299 1.00 0.00 C ATOM 654 NE ARG A 41 3.550 3.133 -10.377 1.00 0.00 N ATOM 655 CZ ARG A 41 4.564 3.995 -10.599 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.638 4.683 -11.735 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.512 4.146 -9.689 1.00 0.00 N ATOM 0 H ARG A 41 1.509 -0.394 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 41 1.077 -1.095 -11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.355 0.371 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.074 0.352 -12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.826 1.491 -11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.282 1.639 -9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.797 2.859 -12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.727 3.730 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 41 3.563 2.606 -9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.922 4.562 -12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.410 5.331 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.476 3.611 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.279 4.797 -9.855 1.00 0.00 H new ATOM 671 N ASN A 42 3.409 -2.572 -9.976 1.00 0.00 N ATOM 672 CA ASN A 42 4.374 -3.694 -9.928 1.00 0.00 C ATOM 673 C ASN A 42 4.194 -4.452 -8.603 1.00 0.00 C ATOM 674 O ASN A 42 4.007 -3.827 -7.558 1.00 0.00 O ATOM 675 CB ASN A 42 5.831 -3.158 -10.075 1.00 0.00 C ATOM 676 CG ASN A 42 6.885 -4.241 -10.353 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.738 -5.401 -9.982 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.966 -3.867 -11.017 1.00 0.00 N ATOM 0 H ASN A 42 3.288 -2.096 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 42 4.188 -4.379 -10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.856 -2.429 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.104 -2.630 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.695 -4.548 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.070 -2.898 -11.317 1.00 0.00 H new ATOM 685 N VAL A 43 4.251 -5.789 -8.654 1.00 0.00 N ATOM 686 CA VAL A 43 4.024 -6.657 -7.479 1.00 0.00 C ATOM 687 C VAL A 43 5.339 -7.035 -6.763 1.00 0.00 C ATOM 688 O VAL A 43 5.329 -7.323 -5.558 1.00 0.00 O ATOM 689 CB VAL A 43 3.233 -7.951 -7.894 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.867 -7.575 -8.512 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.044 -8.838 -8.865 1.00 0.00 C ATOM 0 H VAL A 43 4.456 -6.305 -9.510 1.00 0.00 H new ATOM 0 HA VAL A 43 3.426 -6.084 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 43 3.062 -8.534 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.333 -8.482 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.278 -7.019 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.025 -6.958 -9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.460 -9.721 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.272 -8.274 -9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.973 -9.146 -8.386 1.00 0.00 H new ATOM 914 N ILE A 57 2.898 -12.796 -7.816 1.00 0.00 N ATOM 915 CA ILE A 57 1.935 -12.750 -6.698 1.00 0.00 C ATOM 916 C ILE A 57 2.481 -11.842 -5.579 1.00 0.00 C ATOM 917 O ILE A 57 3.698 -11.721 -5.386 1.00 0.00 O ATOM 918 CB ILE A 57 1.597 -14.194 -6.125 1.00 0.00 C ATOM 919 CG1 ILE A 57 0.438 -14.125 -5.068 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.850 -14.889 -5.530 1.00 0.00 C ATOM 921 CD1 ILE A 57 -0.029 -15.460 -4.517 1.00 0.00 C ATOM 0 HA ILE A 57 1.003 -12.339 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 57 1.257 -14.801 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.767 -13.504 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.415 -13.622 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.574 -15.873 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.608 -14.999 -6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.249 -14.284 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.830 -15.296 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.396 -16.082 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.804 -15.962 -4.025 1.00 0.00 H new ATOM 933 N ILE A 58 1.561 -11.181 -4.876 1.00 0.00 N ATOM 934 CA ILE A 58 1.854 -10.337 -3.718 1.00 0.00 C ATOM 935 C ILE A 58 1.764 -11.176 -2.426 1.00 0.00 C ATOM 936 O ILE A 58 0.916 -12.070 -2.310 1.00 0.00 O ATOM 937 CB ILE A 58 0.847 -9.127 -3.675 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.962 -8.308 -5.001 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.085 -8.224 -2.442 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.040 -7.188 -5.167 1.00 0.00 C ATOM 0 H ILE A 58 0.567 -11.219 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 58 2.866 -9.940 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.164 -9.523 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.965 -7.886 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.855 -8.994 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.370 -7.401 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.955 -8.809 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.098 -7.824 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.129 -6.686 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.050 -7.597 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.077 -6.472 -4.354 1.00 0.00 H new ATOM 952 N THR A 59 2.646 -10.876 -1.473 1.00 0.00 N ATOM 953 CA THR A 59 2.683 -11.526 -0.157 1.00 0.00 C ATOM 954 C THR A 59 2.763 -10.448 0.940 1.00 0.00 C ATOM 955 O THR A 59 2.884 -9.247 0.641 1.00 0.00 O ATOM 956 CB THR A 59 3.872 -12.558 -0.083 1.00 0.00 C ATOM 957 OG1 THR A 59 4.018 -13.078 1.245 1.00 0.00 O ATOM 958 CG2 THR A 59 5.213 -11.969 -0.547 1.00 0.00 C ATOM 0 H THR A 59 3.367 -10.164 -1.592 1.00 0.00 H new ATOM 0 HA THR A 59 1.769 -12.097 0.003 1.00 0.00 H new ATOM 0 HB THR A 59 3.610 -13.362 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.760 -13.717 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.990 -12.730 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.127 -11.640 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.475 -11.119 0.084 1.00 0.00 H new ATOM 966 N ARG A 60 2.641 -10.870 2.209 1.00 0.00 N ATOM 967 CA ARG A 60 2.673 -9.951 3.363 1.00 0.00 C ATOM 968 C ARG A 60 4.113 -9.471 3.604 1.00 0.00 C ATOM 969 O ARG A 60 5.047 -10.280 3.563 1.00 0.00 O ATOM 970 CB ARG A 60 2.115 -10.647 4.630 1.00 0.00 C ATOM 971 CG ARG A 60 1.766 -9.700 5.802 1.00 0.00 C ATOM 972 CD ARG A 60 1.385 -10.464 7.075 1.00 0.00 C ATOM 973 NE ARG A 60 0.387 -11.523 6.823 1.00 0.00 N ATOM 974 CZ ARG A 60 0.005 -12.446 7.721 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.329 -12.336 8.999 1.00 0.00 N ATOM 976 NH2 ARG A 60 -0.745 -13.466 7.331 1.00 0.00 N ATOM 0 H ARG A 60 2.518 -11.850 2.465 1.00 0.00 H new ATOM 0 HA ARG A 60 2.043 -9.089 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.219 -11.204 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.848 -11.375 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.619 -9.054 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.940 -9.052 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.280 -10.909 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.989 -9.764 7.810 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.044 -11.556 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.879 -11.539 9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.029 -13.048 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.028 -13.547 6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.039 -14.171 8.007 1.00 0.00 H new ATOM 990 N GLY A 61 4.292 -8.149 3.813 1.00 0.00 N ATOM 991 CA GLY A 61 5.625 -7.558 3.978 1.00 0.00 C ATOM 992 C GLY A 61 6.324 -7.292 2.652 1.00 0.00 C ATOM 993 O GLY A 61 7.437 -6.756 2.638 1.00 0.00 O ATOM 0 H GLY A 61 3.527 -7.477 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.536 -6.622 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.241 -8.226 4.580 1.00 0.00 H new ATOM 997 N ALA A 62 5.671 -7.679 1.533 1.00 0.00 N ATOM 998 CA ALA A 62 6.186 -7.426 0.183 1.00 0.00 C ATOM 999 C ALA A 62 5.929 -5.971 -0.183 1.00 0.00 C ATOM 1000 O ALA A 62 4.814 -5.461 0.028 1.00 0.00 O ATOM 1001 CB ALA A 62 5.547 -8.358 -0.851 1.00 0.00 C ATOM 0 H ALA A 62 4.778 -8.172 1.548 1.00 0.00 H new ATOM 0 HA ALA A 62 7.257 -7.626 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.954 -8.140 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.764 -9.394 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.468 -8.204 -0.861 1.00 0.00 H new ATOM 1007 N VAL A 63 6.965 -5.300 -0.697 1.00 0.00 N ATOM 1008 CA VAL A 63 6.863 -3.921 -1.144 1.00 0.00 C ATOM 1009 C VAL A 63 6.300 -3.910 -2.574 1.00 0.00 C ATOM 1010 O VAL A 63 6.937 -4.398 -3.516 1.00 0.00 O ATOM 1011 CB VAL A 63 8.248 -3.177 -1.096 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.093 -1.668 -1.389 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.983 -3.424 0.244 1.00 0.00 C ATOM 0 H VAL A 63 7.895 -5.704 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 63 6.196 -3.386 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 63 8.868 -3.599 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.070 -1.187 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.664 -1.532 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.435 -1.219 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.936 -2.894 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.369 -3.060 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.162 -4.492 0.369 1.00 0.00 H new ATOM 1023 N VAL A 64 5.100 -3.364 -2.712 1.00 0.00 N ATOM 1024 CA VAL A 64 4.428 -3.215 -3.997 1.00 0.00 C ATOM 1025 C VAL A 64 4.575 -1.760 -4.464 1.00 0.00 C ATOM 1026 O VAL A 64 4.627 -0.825 -3.645 1.00 0.00 O ATOM 1027 CB VAL A 64 2.904 -3.621 -3.918 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.747 -5.099 -3.488 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.085 -2.681 -2.994 1.00 0.00 C ATOM 0 H VAL A 64 4.558 -3.007 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 64 4.895 -3.889 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 64 2.495 -3.508 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.688 -5.354 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.244 -5.744 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.198 -5.242 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.044 -3.005 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.494 -2.717 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.141 -1.660 -3.372 1.00 0.00 H new ATOM 1039 N GLU A 65 4.674 -1.582 -5.774 1.00 0.00 N ATOM 1040 CA GLU A 65 4.763 -0.270 -6.395 1.00 0.00 C ATOM 1041 C GLU A 65 3.356 0.121 -6.822 1.00 0.00 C ATOM 1042 O GLU A 65 2.675 -0.672 -7.469 1.00 0.00 O ATOM 1043 CB GLU A 65 5.725 -0.301 -7.605 1.00 0.00 C ATOM 1044 CG GLU A 65 5.925 1.066 -8.290 1.00 0.00 C ATOM 1045 CD GLU A 65 6.488 2.145 -7.335 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.694 2.097 -7.023 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.728 3.057 -6.915 1.00 0.00 O ATOM 0 H GLU A 65 4.695 -2.353 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 65 5.164 0.463 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.694 -0.674 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.344 -1.010 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.603 0.947 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.971 1.407 -8.693 1.00 0.00 H new ATOM 1054 N THR A 66 2.911 1.314 -6.428 1.00 0.00 N ATOM 1055 CA THR A 66 1.570 1.821 -6.752 1.00 0.00 C ATOM 1056 C THR A 66 1.707 3.175 -7.444 1.00 0.00 C ATOM 1057 O THR A 66 2.825 3.682 -7.616 1.00 0.00 O ATOM 1058 CB THR A 66 0.670 1.945 -5.468 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.226 2.894 -4.552 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.509 0.601 -4.741 1.00 0.00 C ATOM 0 H THR A 66 3.470 1.962 -5.873 1.00 0.00 H new ATOM 0 HA THR A 66 1.079 1.112 -7.419 1.00 0.00 H new ATOM 0 HB THR A 66 -0.311 2.278 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.151 2.646 -4.346 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.120 0.736 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.044 -0.122 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.488 0.234 -4.434 1.00 0.00 H new ATOM 1068 N ASN A 67 0.573 3.760 -7.849 1.00 0.00 N ATOM 1069 CA ASN A 67 0.538 5.112 -8.442 1.00 0.00 C ATOM 1070 C ASN A 67 0.792 6.190 -7.363 1.00 0.00 C ATOM 1071 O ASN A 67 1.049 7.348 -7.694 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.809 5.370 -9.171 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.041 5.277 -8.259 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.069 4.504 -7.300 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.055 6.072 -8.535 1.00 0.00 N ATOM 0 H ASN A 67 -0.343 3.317 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 67 1.336 5.173 -9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.780 6.360 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.915 4.650 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.889 6.057 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.006 6.703 -9.335 1.00 0.00 H new ATOM 1082 N LEU A 68 0.744 5.787 -6.068 1.00 0.00 N ATOM 1083 CA LEU A 68 1.053 6.678 -4.937 1.00 0.00 C ATOM 1084 C LEU A 68 2.534 6.548 -4.540 1.00 0.00 C ATOM 1085 O LEU A 68 3.230 7.559 -4.400 1.00 0.00 O ATOM 1086 CB LEU A 68 0.137 6.361 -3.730 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.399 6.523 -3.974 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.215 6.247 -2.689 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.734 7.918 -4.551 1.00 0.00 C ATOM 0 H LEU A 68 0.491 4.840 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 68 0.868 7.706 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.328 5.336 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.424 7.009 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.686 5.776 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.277 6.370 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.027 5.228 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.916 6.949 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.810 7.998 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.412 8.688 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.217 8.053 -5.501 1.00 0.00 H new ATOM 1101 N GLY A 69 3.004 5.298 -4.358 1.00 0.00 N ATOM 1102 CA GLY A 69 4.403 5.031 -4.008 1.00 0.00 C ATOM 1103 C GLY A 69 4.653 3.587 -3.586 1.00 0.00 C ATOM 1104 O GLY A 69 3.962 2.665 -4.037 1.00 0.00 O ATOM 0 H GLY A 69 2.430 4.460 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.036 5.267 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.701 5.696 -3.198 1.00 0.00 H new ATOM 1108 N ASN A 70 5.652 3.400 -2.716 1.00 0.00 N ATOM 1109 CA ASN A 70 6.065 2.076 -2.211 1.00 0.00 C ATOM 1110 C ASN A 70 5.242 1.735 -0.967 1.00 0.00 C ATOM 1111 O ASN A 70 5.295 2.461 0.019 1.00 0.00 O ATOM 1112 CB ASN A 70 7.572 2.089 -1.861 1.00 0.00 C ATOM 1113 CG ASN A 70 8.456 2.460 -3.045 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.351 3.283 -2.918 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.231 1.839 -4.198 1.00 0.00 N ATOM 0 H ASN A 70 6.205 4.168 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 70 5.893 1.323 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.745 2.797 -1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.862 1.105 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.813 2.044 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.476 1.157 -4.271 1.00 0.00 H new ATOM 1122 N VAL A 71 4.455 0.655 -1.020 1.00 0.00 N ATOM 1123 CA VAL A 71 3.567 0.239 0.085 1.00 0.00 C ATOM 1124 C VAL A 71 3.943 -1.186 0.535 1.00 0.00 C ATOM 1125 O VAL A 71 4.321 -2.002 -0.296 1.00 0.00 O ATOM 1126 CB VAL A 71 2.055 0.270 -0.387 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.078 0.105 0.798 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.738 1.557 -1.185 1.00 0.00 C ATOM 0 H VAL A 71 4.412 0.038 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 71 3.688 0.929 0.920 1.00 0.00 H new ATOM 0 HB VAL A 71 1.914 -0.583 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.052 0.132 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.262 -0.850 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.230 0.916 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.693 1.546 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.922 2.429 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.376 1.604 -2.067 1.00 0.00 H new ATOM 1138 N ARG A 72 3.838 -1.488 1.840 1.00 0.00 N ATOM 1139 CA ARG A 72 4.001 -2.864 2.365 1.00 0.00 C ATOM 1140 C ARG A 72 2.662 -3.382 2.831 1.00 0.00 C ATOM 1141 O ARG A 72 1.976 -2.704 3.585 1.00 0.00 O ATOM 1142 CB ARG A 72 5.045 -2.965 3.512 1.00 0.00 C ATOM 1143 CG ARG A 72 6.458 -3.325 3.024 1.00 0.00 C ATOM 1144 CD ARG A 72 7.419 -3.690 4.163 1.00 0.00 C ATOM 1145 NE ARG A 72 8.723 -4.154 3.641 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.917 -3.661 3.990 1.00 0.00 C ATOM 1147 NH1 ARG A 72 10.019 -2.673 4.859 1.00 0.00 N ATOM 1148 NH2 ARG A 72 11.010 -4.169 3.455 1.00 0.00 N ATOM 0 H ARG A 72 3.639 -0.794 2.561 1.00 0.00 H new ATOM 0 HA ARG A 72 4.384 -3.477 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.084 -2.014 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.714 -3.716 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.393 -4.163 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.868 -2.482 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.570 -2.823 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.974 -4.470 4.781 1.00 0.00 H new ATOM 0 HE ARG A 72 8.711 -4.912 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.179 -2.272 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.938 -2.310 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.941 -4.931 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.924 -3.799 3.715 1.00 0.00 H new ATOM 1162 N VAL A 73 2.330 -4.603 2.411 1.00 0.00 N ATOM 1163 CA VAL A 73 1.042 -5.224 2.696 1.00 0.00 C ATOM 1164 C VAL A 73 1.062 -5.802 4.123 1.00 0.00 C ATOM 1165 O VAL A 73 1.651 -6.856 4.364 1.00 0.00 O ATOM 1166 CB VAL A 73 0.722 -6.331 1.633 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.680 -6.950 1.840 1.00 0.00 C ATOM 1168 CG2 VAL A 73 0.873 -5.758 0.202 1.00 0.00 C ATOM 0 H VAL A 73 2.954 -5.191 1.859 1.00 0.00 H new ATOM 0 HA VAL A 73 0.252 -4.476 2.635 1.00 0.00 H new ATOM 0 HB VAL A 73 1.444 -7.137 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.857 -7.712 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.735 -7.404 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.438 -6.171 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.648 -6.536 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.182 -4.925 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.895 -5.408 0.056 1.00 0.00 H new ATOM 1178 N THR A 74 0.486 -5.044 5.069 1.00 0.00 N ATOM 1179 CA THR A 74 0.363 -5.448 6.480 1.00 0.00 C ATOM 1180 C THR A 74 -0.727 -6.520 6.675 1.00 0.00 C ATOM 1181 O THR A 74 -0.646 -7.351 7.587 1.00 0.00 O ATOM 1182 CB THR A 74 0.063 -4.202 7.367 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.070 -3.487 6.837 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.274 -3.250 7.452 1.00 0.00 C ATOM 0 H THR A 74 0.089 -4.125 4.875 1.00 0.00 H new ATOM 0 HA THR A 74 1.312 -5.888 6.785 1.00 0.00 H new ATOM 0 HB THR A 74 -0.155 -4.560 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.256 -2.706 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.022 -2.395 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.123 -3.779 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.534 -2.902 6.452 1.00 0.00 H new ATOM 1192 N SER A 75 -1.732 -6.489 5.794 1.00 0.00 N ATOM 1193 CA SER A 75 -2.838 -7.460 5.789 1.00 0.00 C ATOM 1194 C SER A 75 -2.507 -8.666 4.890 1.00 0.00 C ATOM 1195 O SER A 75 -1.364 -8.836 4.447 1.00 0.00 O ATOM 1196 CB SER A 75 -4.125 -6.755 5.332 1.00 0.00 C ATOM 1197 OG SER A 75 -4.453 -5.703 6.219 1.00 0.00 O ATOM 0 H SER A 75 -1.804 -5.786 5.058 1.00 0.00 H new ATOM 0 HA SER A 75 -2.986 -7.846 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.993 -6.362 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.945 -7.472 5.290 1.00 0.00 H new ATOM 0 HG SER A 75 -5.425 -5.581 6.237 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.518 -9.520 4.658 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.410 -10.690 3.784 1.00 0.00 C ATOM 1205 C ARG A 76 -3.960 -10.291 2.396 1.00 0.00 C ATOM 1206 O ARG A 76 -5.167 -10.037 2.272 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.205 -11.898 4.368 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.682 -12.468 5.711 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.885 -11.532 6.913 1.00 0.00 C ATOM 1210 NE ARG A 76 -3.321 -12.103 8.138 1.00 0.00 N ATOM 1211 CZ ARG A 76 -3.101 -11.435 9.281 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -3.403 -10.144 9.393 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -2.590 -12.074 10.326 1.00 0.00 N ATOM 0 H ARG A 76 -4.441 -9.412 5.079 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.369 -11.003 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.243 -11.593 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.203 -12.700 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.185 -13.414 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.619 -12.687 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.416 -10.569 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.949 -11.345 7.054 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.074 -13.093 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.809 -9.645 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.228 -9.654 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.367 -13.067 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.420 -11.572 11.198 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.084 -10.213 1.337 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.466 -9.678 0.004 1.00 0.00 C ATOM 1229 C PRO A 77 -4.577 -10.512 -0.683 1.00 0.00 C ATOM 1230 O PRO A 77 -4.311 -11.562 -1.278 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.127 -9.699 -0.798 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.290 -10.739 -0.107 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.658 -10.645 1.357 1.00 0.00 C ATOM 0 HA PRO A 77 -3.901 -8.681 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.295 -9.956 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.640 -8.724 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.497 -11.734 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.227 -10.551 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.537 -11.603 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.029 -9.926 1.882 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.833 -10.055 -0.523 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.995 -10.685 -1.158 1.00 0.00 C ATOM 1243 C GLY A 78 -7.841 -11.529 -0.207 1.00 0.00 C ATOM 1244 O GLY A 78 -9.025 -11.754 -0.485 1.00 0.00 O ATOM 0 H GLY A 78 -6.065 -9.242 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.623 -9.908 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.651 -11.315 -1.978 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.246 -12.017 0.911 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.003 -12.772 1.945 1.00 0.00 C ATOM 1250 C GLN A 79 -8.902 -11.825 2.751 1.00 0.00 C ATOM 1251 O GLN A 79 -9.981 -12.220 3.206 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.075 -13.567 2.899 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.233 -14.666 2.216 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.478 -15.580 3.194 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.101 -15.174 4.294 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.224 -16.821 2.793 1.00 0.00 N ATOM 0 H GLN A 79 -6.254 -11.903 1.119 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.622 -13.498 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.401 -12.868 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.685 -14.027 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.889 -15.278 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.513 -14.194 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.545 -17.137 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.708 -17.458 3.400 1.00 0.00 H new ATOM 1265 N ASP A 80 -8.456 -10.562 2.893 1.00 0.00 N ATOM 1266 CA ASP A 80 -9.268 -9.468 3.467 1.00 0.00 C ATOM 1267 C ASP A 80 -10.305 -8.943 2.446 1.00 0.00 C ATOM 1268 O ASP A 80 -10.997 -7.961 2.727 1.00 0.00 O ATOM 1269 CB ASP A 80 -8.346 -8.297 3.917 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.465 -8.645 5.122 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -6.547 -9.472 4.977 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -7.678 -8.094 6.225 1.00 0.00 O ATOM 0 H ASP A 80 -7.520 -10.269 2.613 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.803 -9.867 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.709 -8.005 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.963 -7.433 4.165 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.393 -9.584 1.254 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.222 -9.098 0.148 1.00 0.00 C ATOM 1279 C GLY A 81 -10.443 -8.170 -0.769 1.00 0.00 C ATOM 1280 O GLY A 81 -10.647 -8.160 -1.981 1.00 0.00 O ATOM 0 H GLY A 81 -9.890 -10.446 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.598 -9.945 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.090 -8.572 0.547 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.529 -7.410 -0.168 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.683 -6.440 -0.845 1.00 0.00 C ATOM 1286 C VAL A 82 -7.269 -6.518 -0.235 1.00 0.00 C ATOM 1287 O VAL A 82 -7.068 -7.102 0.844 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.294 -4.984 -0.711 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.376 -4.528 0.755 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.555 -3.940 -1.585 1.00 0.00 C ATOM 0 H VAL A 82 -9.355 -7.457 0.836 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.626 -6.667 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.312 -5.049 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.800 -3.525 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.009 -5.216 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.376 -4.519 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.017 -2.962 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.508 -3.890 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.619 -4.232 -2.633 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.297 -5.946 -0.935 1.00 0.00 N ATOM 1301 CA ILE A 83 -4.929 -5.814 -0.451 1.00 0.00 C ATOM 1302 C ILE A 83 -4.869 -4.540 0.416 1.00 0.00 C ATOM 1303 O ILE A 83 -5.412 -3.514 0.017 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.953 -5.732 -1.678 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.228 -6.918 -2.664 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.477 -5.720 -1.227 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.414 -6.900 -3.942 1.00 0.00 C ATOM 0 H ILE A 83 -6.439 -5.556 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.626 -6.672 0.150 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.139 -4.793 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.034 -7.855 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.286 -6.913 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.830 -5.663 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.299 -4.856 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.258 -6.633 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.679 -7.762 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.624 -5.984 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.352 -6.941 -3.698 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.267 -4.613 1.610 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.192 -3.463 2.544 1.00 0.00 C ATOM 1321 C ASN A 84 -2.767 -3.344 3.073 1.00 0.00 C ATOM 1322 O ASN A 84 -2.106 -4.368 3.306 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.168 -3.647 3.740 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.647 -3.717 3.363 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.101 -3.044 2.443 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.414 -4.534 4.076 1.00 0.00 N ATOM 0 H ASN A 84 -3.819 -5.459 1.961 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.476 -2.559 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.900 -4.561 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.025 -2.821 4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.409 -4.614 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.008 -5.081 4.835 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.308 -2.101 3.287 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.938 -1.871 3.741 1.00 0.00 C ATOM 1335 C GLY A 85 -0.626 -0.433 4.127 1.00 0.00 C ATOM 1336 O GLY A 85 -1.518 0.402 4.176 1.00 0.00 O ATOM 0 H GLY A 85 -2.861 -1.254 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.742 -2.513 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.252 -2.177 2.951 1.00 0.00 H new ATOM 1340 N VAL A 86 0.665 -0.163 4.403 1.00 0.00 N ATOM 1341 CA VAL A 86 1.153 1.155 4.859 1.00 0.00 C ATOM 1342 C VAL A 86 2.169 1.724 3.858 1.00 0.00 C ATOM 1343 O VAL A 86 3.023 0.988 3.340 1.00 0.00 O ATOM 1344 CB VAL A 86 1.800 1.074 6.298 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.723 0.797 7.377 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.925 0.007 6.348 1.00 0.00 C ATOM 0 H VAL A 86 1.405 -0.859 4.315 1.00 0.00 H new ATOM 0 HA VAL A 86 0.292 1.821 4.917 1.00 0.00 H new ATOM 0 HB VAL A 86 2.251 2.043 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.195 0.746 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.014 1.600 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.229 -0.151 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.351 -0.026 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.511 -0.970 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.704 0.266 5.631 1.00 0.00 H new ATOM 1356 N LEU A 87 2.057 3.032 3.565 1.00 0.00 N ATOM 1357 CA LEU A 87 2.947 3.710 2.610 1.00 0.00 C ATOM 1358 C LEU A 87 4.341 3.924 3.232 1.00 0.00 C ATOM 1359 O LEU A 87 4.504 4.728 4.156 1.00 0.00 O ATOM 1360 CB LEU A 87 2.347 5.063 2.168 1.00 0.00 C ATOM 1361 CG LEU A 87 3.124 5.821 1.038 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.128 5.026 -0.288 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.549 7.232 0.828 1.00 0.00 C ATOM 0 H LEU A 87 1.353 3.643 3.980 1.00 0.00 H new ATOM 0 HA LEU A 87 3.049 3.074 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.326 4.891 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.287 5.714 3.040 1.00 0.00 H new ATOM 0 HG LEU A 87 4.160 5.917 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.677 5.585 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.608 4.060 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.102 4.871 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.105 7.738 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.500 7.158 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.634 7.801 1.754 1.00 0.00 H new ATOM 1375 N ILE A 88 5.330 3.181 2.737 1.00 0.00 N ATOM 1376 CA ILE A 88 6.743 3.326 3.134 1.00 0.00 C ATOM 1377 C ILE A 88 7.520 4.095 2.040 1.00 0.00 C ATOM 1378 O ILE A 88 6.952 4.506 1.019 1.00 0.00 O ATOM 1379 CB ILE A 88 7.400 1.911 3.393 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.493 1.075 2.077 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.613 1.129 4.479 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.172 -0.266 2.231 1.00 0.00 C ATOM 0 H ILE A 88 5.178 2.451 2.041 1.00 0.00 H new ATOM 0 HA ILE A 88 6.789 3.893 4.064 1.00 0.00 H new ATOM 0 HB ILE A 88 8.414 2.081 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.486 0.916 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.032 1.657 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.083 0.159 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.619 1.695 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.584 0.984 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.192 -0.777 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.193 -0.119 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.622 -0.872 2.952 1.00 0.00 H new ATOM 1394 N ARG A 89 8.826 4.307 2.277 1.00 0.00 N ATOM 1395 CA ARG A 89 9.743 4.942 1.310 1.00 0.00 C ATOM 1396 C ARG A 89 10.949 4.002 1.088 1.00 0.00 C ATOM 1397 O ARG A 89 12.106 4.401 1.292 1.00 0.00 O ATOM 1398 CB ARG A 89 10.225 6.361 1.795 1.00 0.00 C ATOM 1399 CG ARG A 89 9.159 7.492 1.875 1.00 0.00 C ATOM 1400 CD ARG A 89 8.236 7.391 3.104 1.00 0.00 C ATOM 1401 NE ARG A 89 7.441 8.620 3.287 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.230 9.241 4.461 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.652 8.705 5.606 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.572 10.393 4.489 1.00 0.00 N ATOM 0 H ARG A 89 9.280 4.041 3.151 1.00 0.00 H new ATOM 0 HA ARG A 89 9.210 5.100 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.669 6.246 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.019 6.693 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.667 8.456 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.549 7.468 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.567 6.538 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.835 7.208 3.996 1.00 0.00 H new ATOM 0 HE ARG A 89 7.017 9.032 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.143 7.811 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.484 9.189 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.228 10.805 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.410 10.866 5.378 1.00 0.00 H new ATOM 1418 N GLU A 90 10.666 2.737 0.680 1.00 0.00 N ATOM 1419 CA GLU A 90 11.713 1.711 0.423 1.00 0.00 C ATOM 1420 C GLU A 90 12.637 2.217 -0.691 1.00 0.00 C ATOM 1421 O GLU A 90 13.848 2.350 -0.502 1.00 0.00 O ATOM 1422 CB GLU A 90 11.047 0.350 0.045 1.00 0.00 C ATOM 1423 CG GLU A 90 11.921 -0.919 0.228 1.00 0.00 C ATOM 1424 CD GLU A 90 13.037 -1.095 -0.819 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.755 -1.627 -1.917 1.00 0.00 O ATOM 1426 OE2 GLU A 90 14.201 -0.723 -0.548 1.00 0.00 O ATOM 0 H GLU A 90 9.716 2.401 0.521 1.00 0.00 H new ATOM 0 HA GLU A 90 12.308 1.544 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.144 0.233 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.733 0.401 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.374 -0.891 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.274 -1.795 0.198 1.00 0.00 H new ATOM 1433 N LEU A 91 12.021 2.502 -1.840 1.00 0.00 N ATOM 1434 CA LEU A 91 12.655 3.192 -2.965 1.00 0.00 C ATOM 1435 C LEU A 91 12.228 4.676 -2.915 1.00 0.00 C ATOM 1436 O LEU A 91 11.976 5.222 -1.831 1.00 0.00 O ATOM 1437 CB LEU A 91 12.187 2.513 -4.290 1.00 0.00 C ATOM 1438 CG LEU A 91 12.433 0.978 -4.416 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.889 0.440 -5.761 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.932 0.639 -4.242 1.00 0.00 C ATOM 0 H LEU A 91 11.048 2.254 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 91 13.742 3.134 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.119 2.697 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.689 3.007 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 91 11.887 0.482 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.073 -0.633 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.817 0.629 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.393 0.944 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.075 -0.438 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.512 1.149 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.267 0.966 -3.258 1.00 0.00 H new