USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 THR OG1 : rot 30:sc= 0.314 USER MOD Single : A 26 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.6!) USER MOD Single : A 32 THR OG1 : rot -71:sc= 0.56 USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00412) USER MOD Single : A 42 ASN : amide:sc= -0.0999 K(o=-0.1,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -53:sc= 1.41 USER MOD Single : A 67 ASN : amide:sc= 0.152 K(o=0.15,f=-7.3!) USER MOD Single : A 70 ASN : amide:sc= -3.16 K(o=-3.2,f=-8.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 75 SER OG : rot -160:sc= -0.407 USER MOD Single : A 79 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.92) USER MOD Single : A 84 ASN : amide:sc= -0.766 K(o=-0.77,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -4.410 -4.528 -9.797 1.00 0.00 N ATOM 367 CA THR A 23 -4.572 -4.804 -8.369 1.00 0.00 C ATOM 368 C THR A 23 -4.882 -3.534 -7.542 1.00 0.00 C ATOM 369 O THR A 23 -4.210 -2.513 -7.675 1.00 0.00 O ATOM 370 CB THR A 23 -3.290 -5.498 -7.822 1.00 0.00 C ATOM 371 OG1 THR A 23 -2.866 -6.520 -8.739 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.526 -6.127 -6.447 1.00 0.00 C ATOM 0 HA THR A 23 -5.432 -5.465 -8.264 1.00 0.00 H new ATOM 0 HB THR A 23 -2.519 -4.734 -7.719 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.123 -6.268 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.607 -6.601 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.824 -5.353 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.315 -6.876 -6.520 1.00 0.00 H new ATOM 380 N ARG A 24 -5.913 -3.635 -6.691 1.00 0.00 N ATOM 381 CA ARG A 24 -6.362 -2.552 -5.800 1.00 0.00 C ATOM 382 C ARG A 24 -5.921 -2.857 -4.363 1.00 0.00 C ATOM 383 O ARG A 24 -6.078 -3.993 -3.882 1.00 0.00 O ATOM 384 CB ARG A 24 -7.907 -2.399 -5.888 1.00 0.00 C ATOM 385 CG ARG A 24 -8.402 -1.832 -7.239 1.00 0.00 C ATOM 386 CD ARG A 24 -7.976 -0.369 -7.451 1.00 0.00 C ATOM 387 NE ARG A 24 -8.337 0.140 -8.788 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.410 0.895 -9.085 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.348 1.143 -8.183 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.541 1.376 -10.310 1.00 0.00 N ATOM 0 H ARG A 24 -6.469 -4.485 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.910 -1.610 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.369 -3.372 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.244 -1.744 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.010 -2.443 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.489 -1.901 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.444 0.256 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.898 -0.285 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.715 -0.103 -9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.265 0.759 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.153 1.718 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.833 1.173 -11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.350 1.950 -10.549 1.00 0.00 H new ATOM 404 N ILE A 25 -5.371 -1.836 -3.694 1.00 0.00 N ATOM 405 CA ILE A 25 -4.861 -1.934 -2.317 1.00 0.00 C ATOM 406 C ILE A 25 -5.227 -0.654 -1.544 1.00 0.00 C ATOM 407 O ILE A 25 -5.085 0.448 -2.069 1.00 0.00 O ATOM 408 CB ILE A 25 -3.296 -2.168 -2.307 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.724 -2.241 -0.848 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.557 -1.094 -3.154 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.247 -2.603 -0.752 1.00 0.00 C ATOM 0 H ILE A 25 -5.265 -0.905 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.324 -2.792 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.114 -3.137 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.878 -1.276 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.300 -2.975 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.484 -1.284 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.907 -1.140 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.761 -0.104 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.946 -2.628 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.083 -3.583 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.654 -1.857 -1.282 1.00 0.00 H new ATOM 423 N ASN A 26 -5.701 -0.807 -0.296 1.00 0.00 N ATOM 424 CA ASN A 26 -6.038 0.331 0.574 1.00 0.00 C ATOM 425 C ASN A 26 -4.769 0.741 1.310 1.00 0.00 C ATOM 426 O ASN A 26 -4.338 0.065 2.247 1.00 0.00 O ATOM 427 CB ASN A 26 -7.137 -0.043 1.581 1.00 0.00 C ATOM 428 CG ASN A 26 -8.416 -0.537 0.916 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.350 0.221 0.667 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.461 -1.826 0.621 1.00 0.00 N ATOM 0 H ASN A 26 -5.860 -1.717 0.135 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.420 1.155 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.760 -0.817 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.368 0.826 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.289 -2.218 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.667 -2.428 0.842 1.00 0.00 H new ATOM 437 N VAL A 27 -4.174 1.831 0.851 1.00 0.00 N ATOM 438 CA VAL A 27 -2.874 2.301 1.310 1.00 0.00 C ATOM 439 C VAL A 27 -3.077 3.406 2.353 1.00 0.00 C ATOM 440 O VAL A 27 -3.527 4.509 2.028 1.00 0.00 O ATOM 441 CB VAL A 27 -2.024 2.832 0.100 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.666 3.402 0.561 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.842 1.725 -0.962 1.00 0.00 C ATOM 0 H VAL A 27 -4.589 2.427 0.134 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.330 1.473 1.765 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.573 3.655 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.108 3.759 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.834 4.229 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.095 2.621 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.251 2.111 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.328 0.874 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.818 1.408 -1.328 1.00 0.00 H new ATOM 453 N VAL A 28 -2.753 3.082 3.601 1.00 0.00 N ATOM 454 CA VAL A 28 -2.879 4.001 4.728 1.00 0.00 C ATOM 455 C VAL A 28 -1.548 4.728 4.918 1.00 0.00 C ATOM 456 O VAL A 28 -0.567 4.142 5.389 1.00 0.00 O ATOM 457 CB VAL A 28 -3.269 3.250 6.050 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.533 4.244 7.202 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.475 2.308 5.824 1.00 0.00 C ATOM 0 H VAL A 28 -2.392 2.164 3.861 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.676 4.712 4.509 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.421 2.630 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.801 3.693 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.634 4.831 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.351 4.910 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.721 1.802 6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.334 2.890 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.221 1.567 5.066 1.00 0.00 H new ATOM 469 N ASP A 29 -1.512 5.986 4.480 1.00 0.00 N ATOM 470 CA ASP A 29 -0.371 6.876 4.701 1.00 0.00 C ATOM 471 C ASP A 29 -0.157 7.051 6.225 1.00 0.00 C ATOM 472 O ASP A 29 -1.041 7.568 6.892 1.00 0.00 O ATOM 473 CB ASP A 29 -0.633 8.243 4.022 1.00 0.00 C ATOM 474 CG ASP A 29 0.574 9.190 4.110 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.692 9.939 5.106 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.406 9.196 3.178 1.00 0.00 O ATOM 0 H ASP A 29 -2.275 6.419 3.960 1.00 0.00 H new ATOM 0 HA ASP A 29 0.529 6.445 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.887 8.081 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.496 8.717 4.490 1.00 0.00 H new ATOM 481 N PRO A 30 1.002 6.615 6.795 1.00 0.00 N ATOM 482 CA PRO A 30 1.236 6.628 8.262 1.00 0.00 C ATOM 483 C PRO A 30 1.563 8.036 8.820 1.00 0.00 C ATOM 484 O PRO A 30 1.583 8.233 10.039 1.00 0.00 O ATOM 485 CB PRO A 30 2.429 5.659 8.428 1.00 0.00 C ATOM 486 CG PRO A 30 3.208 5.822 7.155 1.00 0.00 C ATOM 487 CD PRO A 30 2.180 6.069 6.068 1.00 0.00 C ATOM 0 HA PRO A 30 0.348 6.334 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.031 5.913 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.093 4.631 8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.907 6.655 7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.797 4.930 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.550 6.774 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.930 5.149 5.540 1.00 0.00 H new ATOM 495 N GLU A 31 1.823 9.001 7.925 1.00 0.00 N ATOM 496 CA GLU A 31 2.225 10.367 8.308 1.00 0.00 C ATOM 497 C GLU A 31 0.972 11.193 8.669 1.00 0.00 C ATOM 498 O GLU A 31 0.902 11.818 9.728 1.00 0.00 O ATOM 499 CB GLU A 31 2.997 11.042 7.124 1.00 0.00 C ATOM 500 CG GLU A 31 4.047 10.146 6.415 1.00 0.00 C ATOM 501 CD GLU A 31 5.271 9.802 7.278 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.228 8.799 8.026 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.290 10.528 7.202 1.00 0.00 O ATOM 0 H GLU A 31 1.761 8.859 6.917 1.00 0.00 H new ATOM 0 HA GLU A 31 2.882 10.323 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.271 11.376 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.500 11.932 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.565 9.219 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.385 10.650 5.510 1.00 0.00 H new ATOM 510 N THR A 32 0.008 11.187 7.738 1.00 0.00 N ATOM 511 CA THR A 32 -1.262 11.932 7.848 1.00 0.00 C ATOM 512 C THR A 32 -2.405 11.049 8.380 1.00 0.00 C ATOM 513 O THR A 32 -3.307 11.538 9.073 1.00 0.00 O ATOM 514 CB THR A 32 -1.656 12.489 6.445 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.748 11.398 5.516 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.633 13.513 5.922 1.00 0.00 C ATOM 0 H THR A 32 0.087 10.656 6.871 1.00 0.00 H new ATOM 0 HA THR A 32 -1.110 12.746 8.557 1.00 0.00 H new ATOM 0 HB THR A 32 -2.615 12.997 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.851 11.052 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.948 13.874 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.571 14.352 6.615 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.345 13.039 5.837 1.00 0.00 H new ATOM 524 N GLY A 33 -2.352 9.747 8.050 1.00 0.00 N ATOM 525 CA GLY A 33 -3.440 8.802 8.363 1.00 0.00 C ATOM 526 C GLY A 33 -4.426 8.643 7.208 1.00 0.00 C ATOM 527 O GLY A 33 -5.481 8.021 7.374 1.00 0.00 O ATOM 0 H GLY A 33 -1.562 9.322 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.013 7.830 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.974 9.148 9.248 1.00 0.00 H new ATOM 531 N LYS A 34 -4.084 9.223 6.028 1.00 0.00 N ATOM 532 CA LYS A 34 -4.951 9.195 4.832 1.00 0.00 C ATOM 533 C LYS A 34 -4.986 7.794 4.186 1.00 0.00 C ATOM 534 O LYS A 34 -3.999 7.349 3.597 1.00 0.00 O ATOM 535 CB LYS A 34 -4.499 10.264 3.797 1.00 0.00 C ATOM 536 CG LYS A 34 -4.692 11.721 4.265 1.00 0.00 C ATOM 537 CD LYS A 34 -6.175 12.085 4.512 1.00 0.00 C ATOM 538 CE LYS A 34 -6.344 13.491 5.106 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.841 14.562 4.204 1.00 0.00 N ATOM 0 H LYS A 34 -3.204 9.719 5.885 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.964 9.434 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.446 10.106 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.055 10.115 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.127 11.880 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.278 12.395 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.723 12.023 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.618 11.353 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.399 13.667 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.814 13.545 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.011 15.491 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.821 14.434 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.339 14.511 3.293 1.00 0.00 H new ATOM 553 N VAL A 35 -6.141 7.114 4.320 1.00 0.00 N ATOM 554 CA VAL A 35 -6.407 5.834 3.644 1.00 0.00 C ATOM 555 C VAL A 35 -6.885 6.123 2.206 1.00 0.00 C ATOM 556 O VAL A 35 -7.900 6.809 2.013 1.00 0.00 O ATOM 557 CB VAL A 35 -7.500 4.991 4.408 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.649 3.580 3.790 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.193 4.909 5.921 1.00 0.00 C ATOM 0 H VAL A 35 -6.914 7.438 4.900 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.487 5.249 3.631 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.453 5.507 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.409 3.022 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.946 3.670 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.697 3.053 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.965 4.321 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.223 4.434 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.174 5.914 6.343 1.00 0.00 H new ATOM 569 N GLU A 36 -6.147 5.619 1.209 1.00 0.00 N ATOM 570 CA GLU A 36 -6.437 5.852 -0.209 1.00 0.00 C ATOM 571 C GLU A 36 -6.192 4.561 -1.000 1.00 0.00 C ATOM 572 O GLU A 36 -5.132 3.942 -0.866 1.00 0.00 O ATOM 573 CB GLU A 36 -5.550 7.005 -0.750 1.00 0.00 C ATOM 574 CG GLU A 36 -5.713 7.303 -2.261 1.00 0.00 C ATOM 575 CD GLU A 36 -7.162 7.626 -2.672 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.656 8.716 -2.323 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.808 6.801 -3.360 1.00 0.00 O ATOM 0 H GLU A 36 -5.326 5.034 1.366 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.481 6.142 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.778 7.912 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.506 6.763 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.072 8.143 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.365 6.442 -2.832 1.00 0.00 H new ATOM 584 N ILE A 37 -7.176 4.170 -1.829 1.00 0.00 N ATOM 585 CA ILE A 37 -7.090 2.946 -2.632 1.00 0.00 C ATOM 586 C ILE A 37 -6.186 3.210 -3.851 1.00 0.00 C ATOM 587 O ILE A 37 -6.583 3.906 -4.795 1.00 0.00 O ATOM 588 CB ILE A 37 -8.500 2.420 -3.092 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.451 2.269 -1.862 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.358 1.072 -3.863 1.00 0.00 C ATOM 591 CD1 ILE A 37 -10.850 1.783 -2.189 1.00 0.00 C ATOM 0 H ILE A 37 -8.044 4.691 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.661 2.163 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.940 3.149 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.998 1.575 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.526 3.233 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.344 0.724 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.732 1.220 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.899 0.328 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.434 1.710 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.330 2.486 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.793 0.802 -2.661 1.00 0.00 H new ATOM 603 N ALA A 38 -4.956 2.700 -3.779 1.00 0.00 N ATOM 604 CA ALA A 38 -3.969 2.804 -4.856 1.00 0.00 C ATOM 605 C ALA A 38 -4.078 1.616 -5.819 1.00 0.00 C ATOM 606 O ALA A 38 -4.730 0.605 -5.520 1.00 0.00 O ATOM 607 CB ALA A 38 -2.559 2.890 -4.259 1.00 0.00 C ATOM 0 H ALA A 38 -4.612 2.197 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.169 3.711 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.827 2.967 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.488 3.769 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.358 1.995 -3.670 1.00 0.00 H new ATOM 613 N GLU A 39 -3.429 1.760 -6.982 1.00 0.00 N ATOM 614 CA GLU A 39 -3.351 0.706 -8.008 1.00 0.00 C ATOM 615 C GLU A 39 -1.890 0.249 -8.143 1.00 0.00 C ATOM 616 O GLU A 39 -0.998 1.076 -8.385 1.00 0.00 O ATOM 617 CB GLU A 39 -3.910 1.215 -9.363 1.00 0.00 C ATOM 618 CG GLU A 39 -5.361 1.735 -9.285 1.00 0.00 C ATOM 619 CD GLU A 39 -6.005 1.974 -10.660 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.854 3.078 -11.225 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.660 1.046 -11.191 1.00 0.00 O ATOM 0 H GLU A 39 -2.939 2.616 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.963 -0.144 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.267 2.014 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.863 0.405 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.966 1.018 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.374 2.667 -8.720 1.00 0.00 H new ATOM 628 N ILE A 40 -1.657 -1.068 -7.989 1.00 0.00 N ATOM 629 CA ILE A 40 -0.309 -1.640 -7.954 1.00 0.00 C ATOM 630 C ILE A 40 0.235 -1.781 -9.389 1.00 0.00 C ATOM 631 O ILE A 40 -0.274 -2.591 -10.177 1.00 0.00 O ATOM 632 CB ILE A 40 -0.301 -3.031 -7.203 1.00 0.00 C ATOM 633 CG1 ILE A 40 -0.767 -2.834 -5.726 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.086 -3.714 -7.275 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.832 -4.088 -4.874 1.00 0.00 C ATOM 0 H ILE A 40 -2.400 -1.759 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 40 0.343 -0.967 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.001 -3.699 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.092 -2.127 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.755 -2.375 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.050 -4.667 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.353 -3.886 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.833 -3.070 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.167 -3.829 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.532 -4.795 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.157 -4.543 -4.820 1.00 0.00 H new ATOM 647 N ARG A 41 1.253 -0.968 -9.710 1.00 0.00 N ATOM 648 CA ARG A 41 1.948 -1.002 -11.000 1.00 0.00 C ATOM 649 C ARG A 41 2.684 -2.342 -11.177 1.00 0.00 C ATOM 650 O ARG A 41 2.572 -2.994 -12.217 1.00 0.00 O ATOM 651 CB ARG A 41 2.977 0.152 -11.100 1.00 0.00 C ATOM 652 CG ARG A 41 2.408 1.584 -10.959 1.00 0.00 C ATOM 653 CD ARG A 41 3.492 2.650 -11.197 1.00 0.00 C ATOM 654 NE ARG A 41 3.022 4.023 -10.916 1.00 0.00 N ATOM 655 CZ ARG A 41 3.763 4.988 -10.329 1.00 0.00 C ATOM 656 NH1 ARG A 41 5.008 4.739 -9.924 1.00 0.00 N ATOM 657 NH2 ARG A 41 3.242 6.197 -10.123 1.00 0.00 N ATOM 0 H ARG A 41 1.619 -0.261 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 41 1.200 -0.887 -11.784 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.733 0.006 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.484 0.077 -12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.595 1.725 -11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.984 1.711 -9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.354 2.431 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.830 2.592 -12.232 1.00 0.00 H new ATOM 0 HE ARG A 41 2.067 4.259 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.411 3.811 -10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.558 5.476 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.283 6.394 -10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.802 6.925 -9.680 1.00 0.00 H new ATOM 671 N ASN A 42 3.411 -2.750 -10.119 1.00 0.00 N ATOM 672 CA ASN A 42 4.348 -3.891 -10.171 1.00 0.00 C ATOM 673 C ASN A 42 4.716 -4.335 -8.740 1.00 0.00 C ATOM 674 O ASN A 42 4.335 -3.685 -7.763 1.00 0.00 O ATOM 675 CB ASN A 42 5.622 -3.458 -10.971 1.00 0.00 C ATOM 676 CG ASN A 42 6.613 -4.586 -11.284 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.237 -5.753 -11.406 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.881 -4.239 -11.428 1.00 0.00 N ATOM 0 H ASN A 42 3.366 -2.299 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 42 3.882 -4.739 -10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.305 -3.004 -11.910 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.142 -2.686 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.582 -4.947 -11.647 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.158 -3.263 -11.320 1.00 0.00 H new ATOM 685 N VAL A 43 5.438 -5.460 -8.626 1.00 0.00 N ATOM 686 CA VAL A 43 6.038 -5.911 -7.359 1.00 0.00 C ATOM 687 C VAL A 43 7.526 -5.480 -7.358 1.00 0.00 C ATOM 688 O VAL A 43 8.210 -5.621 -8.380 1.00 0.00 O ATOM 689 CB VAL A 43 5.889 -7.478 -7.189 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.407 -7.897 -7.239 1.00 0.00 C ATOM 691 CG2 VAL A 43 6.719 -8.271 -8.230 1.00 0.00 C ATOM 0 H VAL A 43 5.623 -6.085 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 43 5.522 -5.456 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 43 6.291 -7.727 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.330 -8.978 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.862 -7.404 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.979 -7.606 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.580 -9.340 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.387 -8.010 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.774 -8.021 -8.120 1.00 0.00 H new ATOM 914 N ILE A 57 3.622 -12.656 -7.237 1.00 0.00 N ATOM 915 CA ILE A 57 2.546 -13.020 -6.310 1.00 0.00 C ATOM 916 C ILE A 57 2.676 -12.146 -5.053 1.00 0.00 C ATOM 917 O ILE A 57 3.563 -12.357 -4.211 1.00 0.00 O ATOM 918 CB ILE A 57 2.568 -14.558 -5.982 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.340 -15.361 -7.311 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.511 -14.922 -4.903 1.00 0.00 C ATOM 921 CD1 ILE A 57 2.259 -16.864 -7.163 1.00 0.00 C ATOM 0 HA ILE A 57 1.576 -12.833 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 57 3.539 -14.826 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.417 -15.009 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.151 -15.125 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.552 -15.992 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.721 -14.370 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.517 -14.660 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.100 -17.318 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.189 -17.238 -6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.429 -17.121 -6.505 1.00 0.00 H new ATOM 933 N ILE A 58 1.834 -11.102 -5.015 1.00 0.00 N ATOM 934 CA ILE A 58 1.795 -10.105 -3.939 1.00 0.00 C ATOM 935 C ILE A 58 1.433 -10.782 -2.611 1.00 0.00 C ATOM 936 O ILE A 58 0.353 -11.371 -2.482 1.00 0.00 O ATOM 937 CB ILE A 58 0.756 -8.972 -4.280 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.114 -8.322 -5.658 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.685 -7.920 -3.140 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.084 -7.360 -6.203 1.00 0.00 C ATOM 0 H ILE A 58 1.147 -10.925 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 58 2.781 -9.650 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.238 -9.412 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.063 -7.795 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.267 -9.117 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.040 -7.149 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.379 -8.407 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.666 -7.465 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.426 -6.965 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.863 -7.882 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.055 -6.539 -5.500 1.00 0.00 H new ATOM 952 N THR A 59 2.365 -10.730 -1.657 1.00 0.00 N ATOM 953 CA THR A 59 2.226 -11.357 -0.335 1.00 0.00 C ATOM 954 C THR A 59 2.486 -10.321 0.768 1.00 0.00 C ATOM 955 O THR A 59 2.968 -9.215 0.487 1.00 0.00 O ATOM 956 CB THR A 59 3.211 -12.566 -0.196 1.00 0.00 C ATOM 957 OG1 THR A 59 4.551 -12.140 -0.493 1.00 0.00 O ATOM 958 CG2 THR A 59 2.828 -13.731 -1.127 1.00 0.00 C ATOM 0 H THR A 59 3.253 -10.244 -1.781 1.00 0.00 H new ATOM 0 HA THR A 59 1.208 -11.732 -0.230 1.00 0.00 H new ATOM 0 HB THR A 59 3.149 -12.922 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.163 -12.900 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.538 -14.548 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.825 -14.079 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.850 -13.392 -2.163 1.00 0.00 H new ATOM 966 N ARG A 60 2.135 -10.683 2.015 1.00 0.00 N ATOM 967 CA ARG A 60 2.368 -9.833 3.196 1.00 0.00 C ATOM 968 C ARG A 60 3.882 -9.635 3.422 1.00 0.00 C ATOM 969 O ARG A 60 4.668 -10.578 3.277 1.00 0.00 O ATOM 970 CB ARG A 60 1.716 -10.457 4.456 1.00 0.00 C ATOM 971 CG ARG A 60 1.804 -9.583 5.732 1.00 0.00 C ATOM 972 CD ARG A 60 1.523 -10.379 7.012 1.00 0.00 C ATOM 973 NE ARG A 60 2.503 -11.474 7.189 1.00 0.00 N ATOM 974 CZ ARG A 60 2.722 -12.165 8.323 1.00 0.00 C ATOM 975 NH1 ARG A 60 2.069 -11.876 9.444 1.00 0.00 N ATOM 976 NH2 ARG A 60 3.622 -13.137 8.339 1.00 0.00 N ATOM 0 H ARG A 60 1.683 -11.571 2.232 1.00 0.00 H new ATOM 0 HA ARG A 60 1.909 -8.861 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.666 -10.659 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.191 -11.417 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.797 -9.138 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.091 -8.762 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.560 -9.712 7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.515 -10.793 6.972 1.00 0.00 H new ATOM 0 HE ARG A 60 3.064 -11.728 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.387 -11.118 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.250 -12.412 10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.147 -13.360 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.790 -13.662 9.197 1.00 0.00 H new ATOM 990 N GLY A 61 4.279 -8.407 3.765 1.00 0.00 N ATOM 991 CA GLY A 61 5.687 -8.058 3.934 1.00 0.00 C ATOM 992 C GLY A 61 6.315 -7.510 2.661 1.00 0.00 C ATOM 993 O GLY A 61 7.130 -6.578 2.725 1.00 0.00 O ATOM 0 H GLY A 61 3.636 -7.633 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.780 -7.317 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.240 -8.941 4.255 1.00 0.00 H new ATOM 997 N ALA A 62 5.940 -8.109 1.504 1.00 0.00 N ATOM 998 CA ALA A 62 6.432 -7.704 0.181 1.00 0.00 C ATOM 999 C ALA A 62 6.032 -6.252 -0.130 1.00 0.00 C ATOM 1000 O ALA A 62 4.899 -5.835 0.147 1.00 0.00 O ATOM 1001 CB ALA A 62 5.899 -8.657 -0.906 1.00 0.00 C ATOM 0 H ALA A 62 5.284 -8.890 1.472 1.00 0.00 H new ATOM 0 HA ALA A 62 7.520 -7.762 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.273 -8.343 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.237 -9.672 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.809 -8.631 -0.910 1.00 0.00 H new ATOM 1007 N VAL A 63 6.988 -5.483 -0.667 1.00 0.00 N ATOM 1008 CA VAL A 63 6.748 -4.103 -1.090 1.00 0.00 C ATOM 1009 C VAL A 63 6.242 -4.112 -2.535 1.00 0.00 C ATOM 1010 O VAL A 63 6.791 -4.815 -3.399 1.00 0.00 O ATOM 1011 CB VAL A 63 8.027 -3.207 -0.981 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.719 -1.732 -1.331 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.685 -3.337 0.404 1.00 0.00 C ATOM 0 H VAL A 63 7.945 -5.801 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 63 6.004 -3.672 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 63 8.745 -3.569 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.630 -1.140 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.342 -1.671 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.967 -1.344 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.570 -2.703 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.978 -3.026 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.973 -4.374 0.574 1.00 0.00 H new ATOM 1023 N VAL A 64 5.183 -3.353 -2.767 1.00 0.00 N ATOM 1024 CA VAL A 64 4.577 -3.174 -4.078 1.00 0.00 C ATOM 1025 C VAL A 64 4.768 -1.721 -4.522 1.00 0.00 C ATOM 1026 O VAL A 64 4.848 -0.806 -3.690 1.00 0.00 O ATOM 1027 CB VAL A 64 3.052 -3.559 -4.053 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.874 -5.080 -3.838 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.268 -2.755 -2.979 1.00 0.00 C ATOM 0 H VAL A 64 4.709 -2.831 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 64 5.065 -3.837 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 64 2.635 -3.295 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.812 -5.324 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.360 -5.622 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.325 -5.368 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.219 -3.052 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.687 -2.959 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.347 -1.689 -3.193 1.00 0.00 H new ATOM 1039 N GLU A 65 4.847 -1.525 -5.835 1.00 0.00 N ATOM 1040 CA GLU A 65 4.907 -0.202 -6.442 1.00 0.00 C ATOM 1041 C GLU A 65 3.481 0.148 -6.831 1.00 0.00 C ATOM 1042 O GLU A 65 2.823 -0.637 -7.508 1.00 0.00 O ATOM 1043 CB GLU A 65 5.817 -0.186 -7.695 1.00 0.00 C ATOM 1044 CG GLU A 65 5.972 1.216 -8.337 1.00 0.00 C ATOM 1045 CD GLU A 65 6.769 1.258 -9.650 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.367 0.230 -10.059 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.806 2.340 -10.282 1.00 0.00 O ATOM 0 H GLU A 65 4.871 -2.287 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 65 5.330 0.518 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.803 -0.561 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.410 -0.872 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.978 1.623 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.457 1.875 -7.617 1.00 0.00 H new ATOM 1054 N THR A 66 3.000 1.292 -6.365 1.00 0.00 N ATOM 1055 CA THR A 66 1.652 1.780 -6.658 1.00 0.00 C ATOM 1056 C THR A 66 1.754 3.153 -7.323 1.00 0.00 C ATOM 1057 O THR A 66 2.856 3.698 -7.473 1.00 0.00 O ATOM 1058 CB THR A 66 0.779 1.871 -5.358 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.344 2.820 -4.433 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.624 0.509 -4.652 1.00 0.00 C ATOM 0 H THR A 66 3.538 1.918 -5.765 1.00 0.00 H new ATOM 0 HA THR A 66 1.163 1.075 -7.331 1.00 0.00 H new ATOM 0 HB THR A 66 -0.211 2.201 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.286 2.600 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.011 0.630 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.145 -0.199 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.607 0.132 -4.369 1.00 0.00 H new ATOM 1068 N ASN A 67 0.600 3.716 -7.698 1.00 0.00 N ATOM 1069 CA ASN A 67 0.524 5.078 -8.254 1.00 0.00 C ATOM 1070 C ASN A 67 0.835 6.140 -7.170 1.00 0.00 C ATOM 1071 O ASN A 67 1.151 7.285 -7.495 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.860 5.329 -8.915 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.053 5.222 -7.959 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.023 4.471 -6.984 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.117 5.956 -8.244 1.00 0.00 N ATOM 0 H ASN A 67 -0.303 3.247 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 67 1.284 5.170 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.859 6.322 -9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.996 4.613 -9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.944 5.909 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.110 6.569 -9.059 1.00 0.00 H new ATOM 1082 N LEU A 68 0.743 5.743 -5.878 1.00 0.00 N ATOM 1083 CA LEU A 68 1.121 6.608 -4.743 1.00 0.00 C ATOM 1084 C LEU A 68 2.634 6.507 -4.465 1.00 0.00 C ATOM 1085 O LEU A 68 3.291 7.523 -4.229 1.00 0.00 O ATOM 1086 CB LEU A 68 0.316 6.222 -3.472 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.234 6.435 -3.539 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.926 6.042 -2.210 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.588 7.888 -3.937 1.00 0.00 C ATOM 0 H LEU A 68 0.407 4.821 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 68 0.884 7.639 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.507 5.172 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.704 6.799 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.614 5.772 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.000 6.204 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.734 4.990 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.531 6.654 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.671 8.001 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.176 8.578 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.166 8.110 -4.917 1.00 0.00 H new ATOM 1101 N GLY A 69 3.170 5.275 -4.486 1.00 0.00 N ATOM 1102 CA GLY A 69 4.595 5.032 -4.235 1.00 0.00 C ATOM 1103 C GLY A 69 4.851 3.618 -3.740 1.00 0.00 C ATOM 1104 O GLY A 69 4.097 2.705 -4.077 1.00 0.00 O ATOM 0 H GLY A 69 2.632 4.430 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.159 5.203 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.961 5.746 -3.497 1.00 0.00 H new ATOM 1108 N ASN A 70 5.909 3.425 -2.933 1.00 0.00 N ATOM 1109 CA ASN A 70 6.249 2.110 -2.348 1.00 0.00 C ATOM 1110 C ASN A 70 5.355 1.850 -1.129 1.00 0.00 C ATOM 1111 O ASN A 70 5.248 2.703 -0.249 1.00 0.00 O ATOM 1112 CB ASN A 70 7.754 2.057 -1.945 1.00 0.00 C ATOM 1113 CG ASN A 70 8.719 2.018 -3.131 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.707 1.286 -3.108 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.502 2.849 -4.141 1.00 0.00 N ATOM 0 H ASN A 70 6.552 4.171 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 70 6.076 1.333 -3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.985 2.928 -1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.922 1.176 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.161 2.890 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.676 3.448 -4.140 1.00 0.00 H new ATOM 1122 N VAL A 71 4.656 0.702 -1.112 1.00 0.00 N ATOM 1123 CA VAL A 71 3.726 0.325 -0.031 1.00 0.00 C ATOM 1124 C VAL A 71 4.099 -1.056 0.551 1.00 0.00 C ATOM 1125 O VAL A 71 4.425 -1.974 -0.197 1.00 0.00 O ATOM 1126 CB VAL A 71 2.251 0.279 -0.598 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.213 -0.097 0.486 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.877 1.617 -1.283 1.00 0.00 C ATOM 0 H VAL A 71 4.720 0.004 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 71 3.794 1.068 0.764 1.00 0.00 H new ATOM 0 HB VAL A 71 2.226 -0.511 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.216 -0.115 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.449 -1.082 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.242 0.640 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.857 1.558 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.947 2.429 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.563 1.807 -2.109 1.00 0.00 H new ATOM 1138 N ARG A 72 4.039 -1.188 1.895 1.00 0.00 N ATOM 1139 CA ARG A 72 4.121 -2.501 2.579 1.00 0.00 C ATOM 1140 C ARG A 72 2.738 -3.121 2.580 1.00 0.00 C ATOM 1141 O ARG A 72 1.779 -2.442 2.941 1.00 0.00 O ATOM 1142 CB ARG A 72 4.597 -2.385 4.062 1.00 0.00 C ATOM 1143 CG ARG A 72 6.093 -2.111 4.238 1.00 0.00 C ATOM 1144 CD ARG A 72 6.981 -3.244 3.699 1.00 0.00 C ATOM 1145 NE ARG A 72 8.421 -2.905 3.761 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.423 -3.785 3.943 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.169 -5.068 4.199 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.681 -3.376 3.875 1.00 0.00 N ATOM 0 H ARG A 72 3.934 -0.398 2.531 1.00 0.00 H new ATOM 0 HA ARG A 72 4.850 -3.107 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.036 -1.586 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.348 -3.310 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.349 -1.183 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.307 -1.962 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.798 -4.151 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.705 -3.460 2.667 1.00 0.00 H new ATOM 0 HE ARG A 72 8.675 -1.923 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.205 -5.395 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.939 -5.723 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.889 -2.396 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.442 -4.041 4.013 1.00 0.00 H new ATOM 1162 N VAL A 73 2.634 -4.391 2.185 1.00 0.00 N ATOM 1163 CA VAL A 73 1.400 -5.163 2.361 1.00 0.00 C ATOM 1164 C VAL A 73 1.341 -5.630 3.832 1.00 0.00 C ATOM 1165 O VAL A 73 2.091 -6.521 4.237 1.00 0.00 O ATOM 1166 CB VAL A 73 1.329 -6.382 1.373 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.028 -7.195 1.572 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.473 -5.904 -0.094 1.00 0.00 C ATOM 0 H VAL A 73 3.391 -4.909 1.740 1.00 0.00 H new ATOM 0 HA VAL A 73 0.539 -4.536 2.130 1.00 0.00 H new ATOM 0 HB VAL A 73 2.164 -7.046 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.011 -8.031 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.011 -7.575 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.834 -6.553 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.421 -6.763 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.667 -5.210 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.432 -5.403 -0.221 1.00 0.00 H new ATOM 1178 N THR A 74 0.472 -4.997 4.624 1.00 0.00 N ATOM 1179 CA THR A 74 0.417 -5.189 6.090 1.00 0.00 C ATOM 1180 C THR A 74 -0.614 -6.267 6.459 1.00 0.00 C ATOM 1181 O THR A 74 -0.459 -6.996 7.454 1.00 0.00 O ATOM 1182 CB THR A 74 0.070 -3.848 6.797 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.143 -3.316 6.242 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.199 -2.815 6.648 1.00 0.00 C ATOM 0 H THR A 74 -0.219 -4.333 4.273 1.00 0.00 H new ATOM 0 HA THR A 74 1.398 -5.522 6.429 1.00 0.00 H new ATOM 0 HB THR A 74 -0.058 -4.052 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.364 -2.472 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.917 -1.892 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.113 -3.209 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.368 -2.610 5.591 1.00 0.00 H new ATOM 1192 N SER A 75 -1.663 -6.363 5.630 1.00 0.00 N ATOM 1193 CA SER A 75 -2.731 -7.358 5.784 1.00 0.00 C ATOM 1194 C SER A 75 -2.464 -8.568 4.879 1.00 0.00 C ATOM 1195 O SER A 75 -1.468 -8.609 4.148 1.00 0.00 O ATOM 1196 CB SER A 75 -4.100 -6.723 5.454 1.00 0.00 C ATOM 1197 OG SER A 75 -4.371 -5.622 6.310 1.00 0.00 O ATOM 0 H SER A 75 -1.794 -5.747 4.828 1.00 0.00 H new ATOM 0 HA SER A 75 -2.749 -7.700 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.110 -6.392 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.886 -7.471 5.558 1.00 0.00 H new ATOM 0 HG SER A 75 -5.334 -5.438 6.312 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.358 -9.564 4.967 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.387 -10.698 4.043 1.00 0.00 C ATOM 1205 C ARG A 76 -3.962 -10.231 2.687 1.00 0.00 C ATOM 1206 O ARG A 76 -5.054 -9.641 2.664 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.244 -11.848 4.629 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.717 -12.453 5.944 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.646 -13.554 6.474 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.881 -14.612 5.478 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.853 -15.533 5.544 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -6.687 -15.591 6.585 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.987 -16.398 4.553 1.00 0.00 N ATOM 0 H ARG A 76 -4.082 -9.602 5.685 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.374 -11.073 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.255 -11.477 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.316 -12.642 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.721 -12.864 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.620 -11.667 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.211 -13.993 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.600 -13.113 6.765 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.255 -14.647 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.592 -14.926 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.419 -16.301 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.356 -16.359 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.722 -17.105 4.589 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.225 -10.431 1.546 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.756 -10.143 0.198 1.00 0.00 C ATOM 1229 C PRO A 77 -4.986 -11.024 -0.121 1.00 0.00 C ATOM 1230 O PRO A 77 -4.852 -12.233 -0.376 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.561 -10.442 -0.751 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.355 -10.413 0.136 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.825 -10.924 1.478 1.00 0.00 C ATOM 0 HA PRO A 77 -4.112 -9.118 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.673 -11.412 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.488 -9.697 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.558 -11.040 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.954 -9.403 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.776 -12.011 1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.218 -10.533 2.295 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.182 -10.415 -0.053 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.438 -11.121 -0.300 1.00 0.00 C ATOM 1243 C GLY A 78 -8.097 -11.644 0.971 1.00 0.00 C ATOM 1244 O GLY A 78 -8.882 -12.604 0.913 1.00 0.00 O ATOM 0 H GLY A 78 -6.299 -9.427 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.130 -10.450 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.250 -11.957 -0.974 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.793 -11.004 2.115 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.408 -11.338 3.417 1.00 0.00 C ATOM 1250 C GLN A 79 -9.908 -11.000 3.365 1.00 0.00 C ATOM 1251 O GLN A 79 -10.763 -11.866 3.549 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.676 -10.571 4.565 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.107 -10.910 6.020 1.00 0.00 C ATOM 1254 CD GLN A 79 -9.365 -10.178 6.514 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -9.658 -9.054 6.094 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -10.119 -10.816 7.397 1.00 0.00 N ATOM 0 H GLN A 79 -7.116 -10.243 2.165 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.305 -12.404 3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.607 -10.763 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.823 -9.503 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.279 -11.984 6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.281 -10.675 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.848 -11.744 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.970 -10.380 7.751 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.191 -9.720 3.092 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.564 -9.200 2.859 1.00 0.00 C ATOM 1267 C ASP A 80 -11.987 -9.413 1.394 1.00 0.00 C ATOM 1268 O ASP A 80 -13.163 -9.284 1.049 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.600 -7.684 3.237 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.864 -6.926 2.764 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -13.928 -7.024 3.417 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.804 -6.249 1.710 1.00 0.00 O ATOM 0 H ASP A 80 -9.472 -9.000 3.024 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.272 -9.745 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.523 -7.592 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.722 -7.197 2.813 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.031 -9.826 0.557 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.165 -9.733 -0.891 1.00 0.00 C ATOM 1279 C GLY A 81 -10.104 -8.815 -1.468 1.00 0.00 C ATOM 1280 O GLY A 81 -9.353 -9.202 -2.362 1.00 0.00 O ATOM 0 H GLY A 81 -10.148 -10.232 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.075 -10.725 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.156 -9.358 -1.147 1.00 0.00 H new ATOM 1284 N VAL A 82 -10.034 -7.595 -0.918 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.040 -6.577 -1.301 1.00 0.00 C ATOM 1286 C VAL A 82 -7.730 -6.753 -0.483 1.00 0.00 C ATOM 1287 O VAL A 82 -7.695 -7.488 0.521 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.652 -5.132 -1.094 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.878 -4.811 0.401 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.824 -4.035 -1.803 1.00 0.00 C ATOM 0 H VAL A 82 -10.672 -7.282 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.789 -6.702 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.632 -5.137 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.299 -3.810 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.568 -5.538 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.927 -4.858 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.285 -3.063 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.809 -4.031 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.793 -4.237 -2.874 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.654 -6.087 -0.942 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.363 -6.021 -0.237 1.00 0.00 C ATOM 1302 C ILE A 83 -5.313 -4.707 0.580 1.00 0.00 C ATOM 1303 O ILE A 83 -5.937 -3.713 0.195 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.157 -6.075 -1.261 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.328 -7.271 -2.252 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.796 -6.162 -0.528 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.170 -7.500 -3.210 1.00 0.00 C ATOM 0 H ILE A 83 -6.658 -5.574 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.271 -6.879 0.429 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.166 -5.148 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.482 -8.181 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.233 -7.109 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.990 -6.197 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.669 -5.287 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.770 -7.063 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.392 -8.353 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.025 -6.611 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.262 -7.700 -2.642 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.617 -4.715 1.727 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.438 -3.510 2.581 1.00 0.00 C ATOM 1321 C ASN A 84 -2.953 -3.357 2.958 1.00 0.00 C ATOM 1322 O ASN A 84 -2.227 -4.358 3.099 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.320 -3.597 3.856 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.820 -3.508 3.577 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.426 -2.449 3.708 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.426 -4.609 3.161 1.00 0.00 N ATOM 0 H ASN A 84 -4.160 -5.549 2.096 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.754 -2.632 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.110 -4.536 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.038 -2.793 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.422 -4.591 2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.897 -5.476 3.061 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.521 -2.092 3.134 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.111 -1.773 3.386 1.00 0.00 C ATOM 1335 C GLY A 85 -0.877 -0.361 3.923 1.00 0.00 C ATOM 1336 O GLY A 85 -1.834 0.344 4.245 1.00 0.00 O ATOM 0 H GLY A 85 -3.134 -1.277 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.709 -2.493 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.551 -1.895 2.459 1.00 0.00 H new ATOM 1340 N VAL A 86 0.413 0.046 4.044 1.00 0.00 N ATOM 1341 CA VAL A 86 0.807 1.404 4.509 1.00 0.00 C ATOM 1342 C VAL A 86 1.823 2.024 3.532 1.00 0.00 C ATOM 1343 O VAL A 86 2.698 1.315 3.009 1.00 0.00 O ATOM 1344 CB VAL A 86 1.404 1.415 5.976 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.341 1.025 7.021 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.653 0.516 6.091 1.00 0.00 C ATOM 0 H VAL A 86 1.207 -0.555 3.823 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.106 1.999 4.533 1.00 0.00 H new ATOM 0 HB VAL A 86 1.717 2.438 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.785 1.043 8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.486 1.733 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.029 0.022 6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.033 0.550 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.387 -0.510 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.422 0.872 5.405 1.00 0.00 H new ATOM 1356 N LEU A 87 1.704 3.347 3.285 1.00 0.00 N ATOM 1357 CA LEU A 87 2.585 4.062 2.335 1.00 0.00 C ATOM 1358 C LEU A 87 3.971 4.290 2.973 1.00 0.00 C ATOM 1359 O LEU A 87 4.132 5.132 3.856 1.00 0.00 O ATOM 1360 CB LEU A 87 1.935 5.408 1.900 1.00 0.00 C ATOM 1361 CG LEU A 87 2.616 6.157 0.697 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.763 5.239 -0.545 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.836 7.445 0.334 1.00 0.00 C ATOM 0 H LEU A 87 1.006 3.942 3.731 1.00 0.00 H new ATOM 0 HA LEU A 87 2.717 3.452 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.895 5.216 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.929 6.078 2.760 1.00 0.00 H new ATOM 0 HG LEU A 87 3.619 6.439 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.238 5.794 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.377 4.375 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.778 4.901 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.327 7.945 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.816 7.185 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.815 8.113 1.195 1.00 0.00 H new ATOM 1375 N ILE A 88 4.958 3.511 2.527 1.00 0.00 N ATOM 1376 CA ILE A 88 6.345 3.583 3.034 1.00 0.00 C ATOM 1377 C ILE A 88 7.261 4.233 1.985 1.00 0.00 C ATOM 1378 O ILE A 88 6.784 4.707 0.951 1.00 0.00 O ATOM 1379 CB ILE A 88 6.888 2.156 3.386 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.834 1.236 2.127 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.095 1.546 4.568 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.816 0.104 2.127 1.00 0.00 C ATOM 0 H ILE A 88 4.825 2.807 1.801 1.00 0.00 H new ATOM 0 HA ILE A 88 6.340 4.190 3.940 1.00 0.00 H new ATOM 0 HB ILE A 88 7.929 2.241 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.828 0.825 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.007 1.847 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.488 0.555 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.196 2.187 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.042 1.465 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.701 -0.477 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.830 0.502 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.633 -0.537 2.989 1.00 0.00 H new ATOM 1394 N ARG A 89 8.583 4.244 2.251 1.00 0.00 N ATOM 1395 CA ARG A 89 9.583 4.837 1.344 1.00 0.00 C ATOM 1396 C ARG A 89 10.844 3.940 1.298 1.00 0.00 C ATOM 1397 O ARG A 89 11.837 4.210 1.993 1.00 0.00 O ATOM 1398 CB ARG A 89 9.916 6.311 1.782 1.00 0.00 C ATOM 1399 CG ARG A 89 8.695 7.274 1.737 1.00 0.00 C ATOM 1400 CD ARG A 89 8.967 8.674 2.310 1.00 0.00 C ATOM 1401 NE ARG A 89 7.766 9.534 2.215 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.103 10.115 3.244 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.520 9.970 4.495 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.017 10.831 2.999 1.00 0.00 N ATOM 0 H ARG A 89 8.985 3.843 3.098 1.00 0.00 H new ATOM 0 HA ARG A 89 9.176 4.889 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.317 6.296 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.700 6.704 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.366 7.376 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.871 6.822 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.276 8.590 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.793 9.137 1.770 1.00 0.00 H new ATOM 0 HE ARG A 89 7.400 9.707 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.352 9.414 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.009 10.414 5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.685 10.942 2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.512 11.272 3.768 1.00 0.00 H new ATOM 1418 N GLU A 90 10.760 2.815 0.541 1.00 0.00 N ATOM 1419 CA GLU A 90 11.956 2.011 0.172 1.00 0.00 C ATOM 1420 C GLU A 90 12.784 2.850 -0.796 1.00 0.00 C ATOM 1421 O GLU A 90 13.896 3.272 -0.481 1.00 0.00 O ATOM 1422 CB GLU A 90 11.599 0.666 -0.525 1.00 0.00 C ATOM 1423 CG GLU A 90 10.754 -0.302 0.290 1.00 0.00 C ATOM 1424 CD GLU A 90 11.466 -0.920 1.506 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.476 -1.620 1.313 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.985 -0.772 2.642 1.00 0.00 O ATOM 0 H GLU A 90 9.882 2.446 0.176 1.00 0.00 H new ATOM 0 HA GLU A 90 12.494 1.763 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.070 0.889 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.527 0.165 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.862 0.220 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.418 -1.107 -0.364 1.00 0.00 H new ATOM 1433 N LEU A 91 12.184 3.092 -1.977 1.00 0.00 N ATOM 1434 CA LEU A 91 12.700 4.027 -2.981 1.00 0.00 C ATOM 1435 C LEU A 91 12.297 5.468 -2.580 1.00 0.00 C ATOM 1436 O LEU A 91 11.928 5.705 -1.420 1.00 0.00 O ATOM 1437 CB LEU A 91 12.116 3.649 -4.371 1.00 0.00 C ATOM 1438 CG LEU A 91 12.321 2.169 -4.841 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.724 1.931 -6.248 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.805 1.752 -4.785 1.00 0.00 C ATOM 0 H LEU A 91 11.317 2.635 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 91 13.787 3.973 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.046 3.857 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.560 4.308 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 91 11.778 1.534 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.885 0.894 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.655 2.141 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.211 2.591 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.906 0.719 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.390 2.402 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.169 1.840 -3.761 1.00 0.00 H new