USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 425 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 25 THR OG1 : rot -131:sc= -5.77! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 31 SER OG : rot -66:sc= 1.1 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 35:sc= 0.239 USER MOD Single : A 64 SER OG : rot -12:sc= 0.546 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 80 THR OG1 : rot -72:sc= 0.864 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 87 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -8.153 -1.526 2.024 1.00 0.00 N ATOM 352 CA GLY A 24 -7.950 -1.479 0.587 1.00 0.00 C ATOM 353 C GLY A 24 -6.649 -0.803 0.210 1.00 0.00 C ATOM 354 O GLY A 24 -6.618 0.048 -0.679 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.958 -2.493 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.781 -0.947 0.123 1.00 0.00 H new ATOM 358 N THR A 25 -5.569 -1.202 0.868 1.00 0.00 N ATOM 359 CA THR A 25 -4.264 -0.604 0.618 1.00 0.00 C ATOM 360 C THR A 25 -3.473 -1.375 -0.426 1.00 0.00 C ATOM 361 O THR A 25 -3.416 -2.606 -0.406 1.00 0.00 O ATOM 362 CB THR A 25 -3.457 -0.538 1.907 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.079 -0.377 1.625 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.606 -1.773 2.770 1.00 0.00 C ATOM 0 H THR A 25 -5.570 -1.935 1.577 1.00 0.00 H new ATOM 0 HA THR A 25 -4.442 0.401 0.237 1.00 0.00 H new ATOM 0 HB THR A 25 -3.853 0.318 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.561 -1.028 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.005 -1.661 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.653 -1.901 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.267 -2.648 2.215 1.00 0.00 H new ATOM 372 N SER A 26 -2.817 -0.627 -1.303 1.00 0.00 N ATOM 373 CA SER A 26 -2.013 -1.206 -2.364 1.00 0.00 C ATOM 374 C SER A 26 -0.557 -0.789 -2.239 1.00 0.00 C ATOM 375 O SER A 26 -0.254 0.396 -2.279 1.00 0.00 O ATOM 376 CB SER A 26 -2.536 -0.735 -3.717 1.00 0.00 C ATOM 377 OG SER A 26 -3.874 -1.151 -3.925 1.00 0.00 O ATOM 0 H SER A 26 -2.829 0.393 -1.297 1.00 0.00 H new ATOM 0 HA SER A 26 -2.081 -2.291 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.478 0.352 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.903 -1.130 -4.511 1.00 0.00 H new ATOM 0 HG SER A 26 -4.183 -0.833 -4.799 1.00 0.00 H new ATOM 383 N ALA A 27 0.344 -1.765 -2.187 1.00 0.00 N ATOM 384 CA ALA A 27 1.775 -1.484 -2.134 1.00 0.00 C ATOM 385 C ALA A 27 2.487 -2.205 -3.263 1.00 0.00 C ATOM 386 O ALA A 27 2.152 -3.336 -3.606 1.00 0.00 O ATOM 387 CB ALA A 27 2.373 -1.880 -0.789 1.00 0.00 C ATOM 0 H ALA A 27 0.109 -2.757 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 27 1.913 -0.409 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.440 -1.657 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.882 -1.320 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.225 -2.947 -0.625 1.00 0.00 H new ATOM 393 N THR A 28 3.430 -1.512 -3.871 1.00 0.00 N ATOM 394 CA THR A 28 4.164 -2.038 -5.005 1.00 0.00 C ATOM 395 C THR A 28 5.638 -2.194 -4.655 1.00 0.00 C ATOM 396 O THR A 28 6.248 -1.296 -4.079 1.00 0.00 O ATOM 397 CB THR A 28 3.974 -1.101 -6.201 1.00 0.00 C ATOM 398 OG1 THR A 28 2.681 -1.262 -6.756 1.00 0.00 O ATOM 399 CG2 THR A 28 4.976 -1.307 -7.317 1.00 0.00 C ATOM 0 H THR A 28 3.708 -0.571 -3.594 1.00 0.00 H new ATOM 0 HA THR A 28 3.782 -3.025 -5.266 1.00 0.00 H new ATOM 0 HB THR A 28 4.122 -0.100 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.574 -0.655 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.771 -0.604 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.984 -1.139 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.896 -2.326 -7.694 1.00 0.00 H new ATOM 407 N ILE A 29 6.200 -3.341 -5.007 1.00 0.00 N ATOM 408 CA ILE A 29 7.590 -3.631 -4.710 1.00 0.00 C ATOM 409 C ILE A 29 8.467 -3.397 -5.921 1.00 0.00 C ATOM 410 O ILE A 29 8.184 -3.876 -7.018 1.00 0.00 O ATOM 411 CB ILE A 29 7.786 -5.086 -4.254 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.568 -5.591 -3.473 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.045 -5.213 -3.415 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.089 -4.624 -2.413 1.00 0.00 C ATOM 0 H ILE A 29 5.710 -4.087 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 29 7.876 -2.957 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 29 7.894 -5.706 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.754 -5.786 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.817 -6.541 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.169 -6.249 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.908 -4.907 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.962 -4.574 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.225 -5.046 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.888 -4.448 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.808 -3.681 -2.881 1.00 0.00 H new ATOM 426 N THR A 30 9.551 -2.681 -5.700 1.00 0.00 N ATOM 427 CA THR A 30 10.503 -2.403 -6.756 1.00 0.00 C ATOM 428 C THR A 30 11.930 -2.559 -6.248 1.00 0.00 C ATOM 429 O THR A 30 12.479 -1.657 -5.615 1.00 0.00 O ATOM 430 CB THR A 30 10.284 -0.997 -7.307 1.00 0.00 C ATOM 431 OG1 THR A 30 11.434 -0.543 -7.999 1.00 0.00 O ATOM 432 CG2 THR A 30 9.954 0.024 -6.240 1.00 0.00 C ATOM 0 H THR A 30 9.795 -2.280 -4.795 1.00 0.00 H new ATOM 0 HA THR A 30 10.347 -3.122 -7.560 1.00 0.00 H new ATOM 0 HB THR A 30 9.429 -1.083 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.272 0.359 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.811 1.001 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.040 -0.271 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.773 0.079 -5.523 1.00 0.00 H new ATOM 440 N SER A 31 12.525 -3.710 -6.534 1.00 0.00 N ATOM 441 CA SER A 31 13.883 -3.994 -6.108 1.00 0.00 C ATOM 442 C SER A 31 14.838 -3.967 -7.293 1.00 0.00 C ATOM 443 O SER A 31 14.420 -4.110 -8.443 1.00 0.00 O ATOM 444 CB SER A 31 13.951 -5.360 -5.422 1.00 0.00 C ATOM 445 OG SER A 31 12.672 -5.969 -5.368 1.00 0.00 O ATOM 0 H SER A 31 12.083 -4.463 -7.062 1.00 0.00 H new ATOM 0 HA SER A 31 14.183 -3.222 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.643 -6.007 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.345 -5.244 -4.412 1.00 0.00 H new ATOM 0 HG SER A 31 12.084 -5.444 -4.786 1.00 0.00 H new ATOM 451 N GLY A 32 16.121 -3.792 -7.009 1.00 0.00 N ATOM 452 CA GLY A 32 17.111 -3.769 -8.065 1.00 0.00 C ATOM 453 C GLY A 32 17.037 -5.001 -8.946 1.00 0.00 C ATOM 454 O GLY A 32 17.100 -4.903 -10.170 1.00 0.00 O ATOM 0 H GLY A 32 16.493 -3.666 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.967 -2.878 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.106 -3.697 -7.626 1.00 0.00 H new ATOM 458 N GLU A 33 16.877 -6.163 -8.317 1.00 0.00 N ATOM 459 CA GLU A 33 16.801 -7.419 -9.030 1.00 0.00 C ATOM 460 C GLU A 33 15.677 -7.424 -10.059 1.00 0.00 C ATOM 461 O GLU A 33 15.921 -7.328 -11.262 1.00 0.00 O ATOM 462 CB GLU A 33 16.608 -8.542 -8.040 1.00 0.00 C ATOM 463 CG GLU A 33 17.720 -9.562 -8.098 1.00 0.00 C ATOM 464 CD GLU A 33 17.228 -10.955 -8.438 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.042 -11.246 -8.176 1.00 0.00 O ATOM 466 OE2 GLU A 33 18.029 -11.754 -8.966 1.00 0.00 O ATOM 0 H GLU A 33 16.798 -6.252 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 33 17.735 -7.558 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.551 -8.128 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.656 -9.035 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.453 -9.250 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.232 -9.588 -7.136 1.00 0.00 H new ATOM 473 N GLN A 34 14.444 -7.558 -9.579 1.00 0.00 N ATOM 474 CA GLN A 34 13.282 -7.600 -10.456 1.00 0.00 C ATOM 475 C GLN A 34 12.131 -6.774 -9.891 1.00 0.00 C ATOM 476 O GLN A 34 11.170 -7.318 -9.347 1.00 0.00 O ATOM 477 CB GLN A 34 12.832 -9.046 -10.662 1.00 0.00 C ATOM 478 CG GLN A 34 11.870 -9.224 -11.825 1.00 0.00 C ATOM 479 CD GLN A 34 11.633 -10.681 -12.170 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.088 -11.440 -11.368 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.043 -11.080 -13.368 1.00 0.00 N ATOM 0 H GLN A 34 14.225 -7.639 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 34 13.570 -7.170 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.710 -9.671 -10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.355 -9.403 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.918 -8.754 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.264 -8.707 -12.700 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.490 -10.417 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.911 -12.050 -13.655 1.00 0.00 H new ATOM 490 N SER A 35 12.234 -5.458 -10.032 1.00 0.00 N ATOM 491 CA SER A 35 11.201 -4.547 -9.550 1.00 0.00 C ATOM 492 C SER A 35 9.975 -4.590 -10.457 1.00 0.00 C ATOM 493 O SER A 35 10.074 -4.352 -11.660 1.00 0.00 O ATOM 494 CB SER A 35 11.752 -3.120 -9.493 1.00 0.00 C ATOM 495 OG SER A 35 12.338 -2.749 -10.728 1.00 0.00 O ATOM 0 H SER A 35 13.026 -4.995 -10.478 1.00 0.00 H new ATOM 0 HA SER A 35 10.903 -4.862 -8.550 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.948 -2.426 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.494 -3.045 -8.698 1.00 0.00 H new ATOM 0 HG SER A 35 11.838 -3.160 -11.464 1.00 0.00 H new ATOM 501 N GLY A 36 8.820 -4.889 -9.871 1.00 0.00 N ATOM 502 CA GLY A 36 7.594 -4.953 -10.644 1.00 0.00 C ATOM 503 C GLY A 36 6.585 -5.917 -10.052 1.00 0.00 C ATOM 504 O GLY A 36 6.029 -6.756 -10.761 1.00 0.00 O ATOM 0 H GLY A 36 8.712 -5.088 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.152 -3.958 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.827 -5.257 -11.664 1.00 0.00 H new ATOM 508 N ALA A 37 6.348 -5.799 -8.750 1.00 0.00 N ATOM 509 CA ALA A 37 5.399 -6.668 -8.065 1.00 0.00 C ATOM 510 C ALA A 37 4.480 -5.866 -7.149 1.00 0.00 C ATOM 511 O ALA A 37 4.943 -5.121 -6.287 1.00 0.00 O ATOM 512 CB ALA A 37 6.137 -7.737 -7.274 1.00 0.00 C ATOM 0 H ALA A 37 6.800 -5.110 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 37 4.780 -7.154 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.415 -8.378 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.743 -8.338 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.782 -7.262 -6.534 1.00 0.00 H new ATOM 518 N VAL A 38 3.176 -6.039 -7.331 1.00 0.00 N ATOM 519 CA VAL A 38 2.191 -5.330 -6.524 1.00 0.00 C ATOM 520 C VAL A 38 1.650 -6.218 -5.407 1.00 0.00 C ATOM 521 O VAL A 38 1.114 -7.297 -5.660 1.00 0.00 O ATOM 522 CB VAL A 38 1.012 -4.832 -7.381 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.266 -6.005 -7.997 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.074 -3.970 -6.550 1.00 0.00 C ATOM 0 H VAL A 38 2.776 -6.664 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 38 2.703 -4.472 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 38 1.409 -4.219 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.563 -5.633 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.945 -6.577 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.120 -6.647 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.753 -3.627 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.317 -4.556 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.618 -3.108 -6.163 1.00 0.00 H new ATOM 534 N ILE A 39 1.795 -5.752 -4.173 1.00 0.00 N ATOM 535 CA ILE A 39 1.325 -6.492 -3.009 1.00 0.00 C ATOM 536 C ILE A 39 0.327 -5.673 -2.200 1.00 0.00 C ATOM 537 O ILE A 39 0.329 -4.443 -2.256 1.00 0.00 O ATOM 538 CB ILE A 39 2.492 -6.892 -2.086 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.160 -5.652 -1.492 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.506 -7.740 -2.842 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.657 -5.315 -0.109 1.00 0.00 C ATOM 0 H ILE A 39 2.237 -4.860 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 39 0.839 -7.391 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 39 2.091 -7.488 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.238 -5.811 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.988 -4.802 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.323 -8.013 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.021 -8.644 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.901 -7.171 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.169 -4.426 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.584 -5.126 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.854 -6.150 0.563 1.00 0.00 H new ATOM 553 N ARG A 40 -0.507 -6.360 -1.428 1.00 0.00 N ATOM 554 CA ARG A 40 -1.474 -5.691 -0.570 1.00 0.00 C ATOM 555 C ARG A 40 -0.944 -5.627 0.855 1.00 0.00 C ATOM 556 O ARG A 40 -0.329 -6.574 1.343 1.00 0.00 O ATOM 557 CB ARG A 40 -2.824 -6.417 -0.597 1.00 0.00 C ATOM 558 CG ARG A 40 -3.801 -5.933 0.469 1.00 0.00 C ATOM 559 CD ARG A 40 -5.232 -5.938 -0.043 1.00 0.00 C ATOM 560 NE ARG A 40 -5.568 -7.189 -0.717 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.662 -7.361 -1.450 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.525 -6.366 -1.601 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.897 -8.529 -2.032 1.00 0.00 N ATOM 0 H ARG A 40 -0.532 -7.379 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.624 -4.678 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.278 -6.286 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.655 -7.486 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.726 -6.572 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.529 -4.925 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.916 -5.781 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.373 -5.106 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.926 -7.976 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.349 -5.466 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.365 -6.500 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.237 -9.298 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.738 -8.658 -2.594 1.00 0.00 H new ATOM 577 N GLY A 41 -1.177 -4.501 1.512 1.00 0.00 N ATOM 578 CA GLY A 41 -0.709 -4.334 2.872 1.00 0.00 C ATOM 579 C GLY A 41 -0.613 -2.880 3.264 1.00 0.00 C ATOM 580 O GLY A 41 -0.442 -2.014 2.407 1.00 0.00 O ATOM 0 H GLY A 41 -1.681 -3.701 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.386 -4.849 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.269 -4.803 2.979 1.00 0.00 H new ATOM 584 N VAL A 42 -0.751 -2.600 4.554 1.00 0.00 N ATOM 585 CA VAL A 42 -0.723 -1.226 5.025 1.00 0.00 C ATOM 586 C VAL A 42 0.339 -1.020 6.104 1.00 0.00 C ATOM 587 O VAL A 42 1.012 -1.954 6.520 1.00 0.00 O ATOM 588 CB VAL A 42 -2.143 -0.778 5.502 1.00 0.00 C ATOM 589 CG1 VAL A 42 -2.205 -0.348 6.972 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.649 0.336 4.602 1.00 0.00 C ATOM 0 H VAL A 42 -0.882 -3.300 5.284 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.440 -0.587 4.188 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.787 -1.654 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.224 -0.053 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.902 -1.180 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.533 0.495 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.639 0.650 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.965 1.183 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.707 -0.024 3.575 1.00 0.00 H new ATOM 600 N PHE A 43 0.437 0.220 6.558 1.00 0.00 N ATOM 601 CA PHE A 43 1.398 0.622 7.569 1.00 0.00 C ATOM 602 C PHE A 43 0.820 0.469 8.974 1.00 0.00 C ATOM 603 O PHE A 43 -0.354 0.760 9.209 1.00 0.00 O ATOM 604 CB PHE A 43 1.754 2.081 7.304 1.00 0.00 C ATOM 605 CG PHE A 43 2.502 2.774 8.405 1.00 0.00 C ATOM 606 CD1 PHE A 43 1.862 3.126 9.583 1.00 0.00 C ATOM 607 CD2 PHE A 43 3.827 3.139 8.233 1.00 0.00 C ATOM 608 CE1 PHE A 43 2.541 3.790 10.585 1.00 0.00 C ATOM 609 CE2 PHE A 43 4.510 3.807 9.230 1.00 0.00 C ATOM 610 CZ PHE A 43 3.865 4.134 10.407 1.00 0.00 C ATOM 0 H PHE A 43 -0.156 0.983 6.230 1.00 0.00 H new ATOM 0 HA PHE A 43 2.282 -0.013 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.352 2.131 6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.834 2.632 7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.820 2.878 9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.332 2.898 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.036 4.040 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.547 4.073 9.090 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.397 4.658 11.187 1.00 0.00 H new ATOM 893 N SER A 64 5.446 -1.394 11.233 1.00 0.00 N ATOM 894 CA SER A 64 5.468 -2.583 10.397 1.00 0.00 C ATOM 895 C SER A 64 4.288 -2.600 9.447 1.00 0.00 C ATOM 896 O SER A 64 3.337 -1.838 9.604 1.00 0.00 O ATOM 897 CB SER A 64 5.489 -3.853 11.251 1.00 0.00 C ATOM 898 OG SER A 64 4.881 -3.632 12.512 1.00 0.00 O ATOM 0 HA SER A 64 6.382 -2.556 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.967 -4.655 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.518 -4.182 11.393 1.00 0.00 H new ATOM 0 HG SER A 64 4.745 -2.671 12.645 1.00 0.00 H new ATOM 904 N LEU A 65 4.374 -3.455 8.442 1.00 0.00 N ATOM 905 CA LEU A 65 3.346 -3.530 7.425 1.00 0.00 C ATOM 906 C LEU A 65 2.643 -4.884 7.457 1.00 0.00 C ATOM 907 O LEU A 65 3.277 -5.919 7.661 1.00 0.00 O ATOM 908 CB LEU A 65 3.952 -3.297 6.042 1.00 0.00 C ATOM 909 CG LEU A 65 2.966 -3.450 4.881 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.572 -2.088 4.332 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.561 -4.317 3.783 1.00 0.00 C ATOM 0 H LEU A 65 5.148 -4.107 8.311 1.00 0.00 H new ATOM 0 HA LEU A 65 2.611 -2.752 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.378 -2.294 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.775 -3.997 5.897 1.00 0.00 H new ATOM 0 HG LEU A 65 2.069 -3.942 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.871 -2.217 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.101 -1.500 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.461 -1.569 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.845 -4.413 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.475 -3.855 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.790 -5.305 4.183 1.00 0.00 H new ATOM 923 N PHE A 66 1.328 -4.863 7.278 1.00 0.00 N ATOM 924 CA PHE A 66 0.537 -6.087 7.266 1.00 0.00 C ATOM 925 C PHE A 66 0.371 -6.574 5.836 1.00 0.00 C ATOM 926 O PHE A 66 -0.133 -5.848 4.985 1.00 0.00 O ATOM 927 CB PHE A 66 -0.836 -5.846 7.897 1.00 0.00 C ATOM 928 CG PHE A 66 -0.886 -6.152 9.366 1.00 0.00 C ATOM 929 CD1 PHE A 66 -0.744 -7.453 9.822 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.084 -5.140 10.291 1.00 0.00 C ATOM 931 CE1 PHE A 66 -0.792 -7.738 11.174 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.135 -5.418 11.644 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.988 -6.719 12.085 1.00 0.00 C ATOM 0 H PHE A 66 0.786 -4.010 7.139 1.00 0.00 H new ATOM 0 HA PHE A 66 1.057 -6.846 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.120 -4.805 7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.576 -6.459 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.594 -8.254 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.200 -4.122 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.676 -8.756 11.517 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.289 -4.620 12.355 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.026 -6.939 13.142 1.00 0.00 H new ATOM 943 N VAL A 67 0.826 -7.788 5.567 1.00 0.00 N ATOM 944 CA VAL A 67 0.774 -8.324 4.216 1.00 0.00 C ATOM 945 C VAL A 67 -0.012 -9.629 4.145 1.00 0.00 C ATOM 946 O VAL A 67 -0.209 -10.311 5.152 1.00 0.00 O ATOM 947 CB VAL A 67 2.194 -8.555 3.668 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.885 -9.678 4.426 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.148 -8.847 2.175 1.00 0.00 C ATOM 0 H VAL A 67 1.232 -8.416 6.260 1.00 0.00 H new ATOM 0 HA VAL A 67 0.259 -7.583 3.604 1.00 0.00 H new ATOM 0 HB VAL A 67 2.775 -7.645 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.887 -9.826 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.953 -9.416 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.311 -10.598 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.160 -9.008 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.550 -9.741 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.700 -8.002 1.653 1.00 0.00 H new ATOM 959 N ARG A 68 -0.456 -9.966 2.939 1.00 0.00 N ATOM 960 CA ARG A 68 -1.214 -11.188 2.707 1.00 0.00 C ATOM 961 C ARG A 68 -0.688 -11.911 1.471 1.00 0.00 C ATOM 962 O ARG A 68 -1.375 -12.005 0.454 1.00 0.00 O ATOM 963 CB ARG A 68 -2.700 -10.865 2.528 1.00 0.00 C ATOM 964 CG ARG A 68 -3.477 -10.827 3.834 1.00 0.00 C ATOM 965 CD ARG A 68 -3.370 -9.469 4.509 1.00 0.00 C ATOM 966 NE ARG A 68 -4.308 -9.332 5.618 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.588 -9.003 5.467 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.079 -8.779 4.256 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.377 -8.899 6.527 1.00 0.00 N ATOM 0 H ARG A 68 -0.302 -9.404 2.102 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.095 -11.838 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.796 -9.900 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.148 -11.609 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.525 -11.057 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.100 -11.598 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.353 -9.326 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.559 -8.684 3.776 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.963 -9.498 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.475 -8.859 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.061 -8.527 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.003 -9.071 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.358 -8.647 6.410 1.00 0.00 H new ATOM 983 N THR A 69 0.556 -12.382 1.551 1.00 0.00 N ATOM 984 CA THR A 69 1.197 -13.069 0.443 1.00 0.00 C ATOM 985 C THR A 69 2.690 -13.212 0.712 1.00 0.00 C ATOM 986 O THR A 69 3.387 -12.224 0.941 1.00 0.00 O ATOM 987 CB THR A 69 0.977 -12.311 -0.870 1.00 0.00 C ATOM 988 OG1 THR A 69 1.977 -12.648 -1.816 1.00 0.00 O ATOM 989 CG2 THR A 69 0.990 -10.807 -0.703 1.00 0.00 C ATOM 0 H THR A 69 1.140 -12.296 2.383 1.00 0.00 H new ATOM 0 HA THR A 69 0.750 -14.059 0.350 1.00 0.00 H new ATOM 0 HB THR A 69 -0.012 -12.612 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.819 -12.155 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.829 -10.332 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.197 -10.510 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.954 -10.494 -0.301 1.00 0.00 H new ATOM 997 N ASP A 70 3.163 -14.449 0.697 1.00 0.00 N ATOM 998 CA ASP A 70 4.572 -14.752 0.942 1.00 0.00 C ATOM 999 C ASP A 70 5.458 -14.201 -0.173 1.00 0.00 C ATOM 1000 O ASP A 70 6.136 -14.950 -0.875 1.00 0.00 O ATOM 1001 CB ASP A 70 4.774 -16.264 1.064 1.00 0.00 C ATOM 1002 CG ASP A 70 4.380 -17.005 -0.198 1.00 0.00 C ATOM 1003 OD1 ASP A 70 3.601 -16.445 -0.997 1.00 0.00 O ATOM 1004 OD2 ASP A 70 4.852 -18.146 -0.389 1.00 0.00 O ATOM 0 H ASP A 70 2.587 -15.271 0.516 1.00 0.00 H new ATOM 0 HA ASP A 70 4.860 -14.272 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.820 -16.471 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.186 -16.640 1.901 1.00 0.00 H new ATOM 1009 N GLU A 71 5.445 -12.883 -0.319 1.00 0.00 N ATOM 1010 CA GLU A 71 6.259 -12.202 -1.313 1.00 0.00 C ATOM 1011 C GLU A 71 7.090 -11.123 -0.641 1.00 0.00 C ATOM 1012 O GLU A 71 8.296 -11.017 -0.867 1.00 0.00 O ATOM 1013 CB GLU A 71 5.374 -11.588 -2.400 1.00 0.00 C ATOM 1014 CG GLU A 71 5.393 -12.362 -3.708 1.00 0.00 C ATOM 1015 CD GLU A 71 4.230 -12.006 -4.613 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.781 -10.841 -4.574 1.00 0.00 O ATOM 1017 OE2 GLU A 71 3.768 -12.893 -5.361 1.00 0.00 O ATOM 0 H GLU A 71 4.871 -12.258 0.247 1.00 0.00 H new ATOM 0 HA GLU A 71 6.925 -12.927 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.349 -11.534 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.700 -10.565 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.329 -12.163 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.368 -13.431 -3.494 1.00 0.00 H new ATOM 1024 N VAL A 72 6.442 -10.350 0.222 1.00 0.00 N ATOM 1025 CA VAL A 72 7.128 -9.318 0.978 1.00 0.00 C ATOM 1026 C VAL A 72 8.260 -9.931 1.789 1.00 0.00 C ATOM 1027 O VAL A 72 9.286 -9.295 2.031 1.00 0.00 O ATOM 1028 CB VAL A 72 6.168 -8.592 1.928 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.271 -7.641 1.156 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.354 -9.606 2.709 1.00 0.00 C ATOM 0 H VAL A 72 5.443 -10.421 0.413 1.00 0.00 H new ATOM 0 HA VAL A 72 7.528 -8.596 0.266 1.00 0.00 H new ATOM 0 HB VAL A 72 6.746 -7.997 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.597 -7.135 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.883 -6.902 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.688 -8.203 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.673 -9.085 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.779 -10.222 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.024 -10.241 3.289 1.00 0.00 H new ATOM 1040 N ARG A 73 8.074 -11.187 2.189 1.00 0.00 N ATOM 1041 CA ARG A 73 9.100 -11.916 2.920 1.00 0.00 C ATOM 1042 C ARG A 73 10.384 -11.936 2.105 1.00 0.00 C ATOM 1043 O ARG A 73 11.463 -11.612 2.602 1.00 0.00 O ATOM 1044 CB ARG A 73 8.634 -13.346 3.199 1.00 0.00 C ATOM 1045 CG ARG A 73 9.241 -13.956 4.450 1.00 0.00 C ATOM 1046 CD ARG A 73 10.674 -14.407 4.211 1.00 0.00 C ATOM 1047 NE ARG A 73 11.390 -14.648 5.461 1.00 0.00 N ATOM 1048 CZ ARG A 73 11.274 -15.765 6.170 1.00 0.00 C ATOM 1049 NH1 ARG A 73 10.472 -16.736 5.755 1.00 0.00 N ATOM 1050 NH2 ARG A 73 11.958 -15.912 7.297 1.00 0.00 N ATOM 0 H ARG A 73 7.221 -11.719 2.018 1.00 0.00 H new ATOM 0 HA ARG A 73 9.284 -11.418 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.548 -13.352 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.883 -13.973 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.218 -13.227 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.639 -14.807 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.672 -15.319 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.201 -13.648 3.633 1.00 0.00 H new ATOM 0 HE ARG A 73 12.013 -13.919 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.943 -16.626 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.384 -17.593 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.574 -15.166 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.868 -16.771 7.840 1.00 0.00 H new ATOM 1064 N GLN A 74 10.240 -12.289 0.834 1.00 0.00 N ATOM 1065 CA GLN A 74 11.355 -12.298 -0.100 1.00 0.00 C ATOM 1066 C GLN A 74 11.910 -10.889 -0.286 1.00 0.00 C ATOM 1067 O GLN A 74 13.049 -10.712 -0.715 1.00 0.00 O ATOM 1068 CB GLN A 74 10.888 -12.864 -1.440 1.00 0.00 C ATOM 1069 CG GLN A 74 9.945 -14.048 -1.296 1.00 0.00 C ATOM 1070 CD GLN A 74 10.127 -15.077 -2.394 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.113 -16.282 -2.140 1.00 0.00 O ATOM 1072 NE2 GLN A 74 10.298 -14.607 -3.624 1.00 0.00 N ATOM 0 H GLN A 74 9.351 -12.576 0.424 1.00 0.00 H new ATOM 0 HA GLN A 74 12.151 -12.926 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.388 -12.077 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.758 -13.170 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.109 -14.522 -0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.915 -13.691 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.303 -13.600 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.425 -15.252 -4.404 1.00 0.00 H new ATOM 1081 N LEU A 75 11.097 -9.892 0.057 1.00 0.00 N ATOM 1082 CA LEU A 75 11.498 -8.496 -0.033 1.00 0.00 C ATOM 1083 C LEU A 75 12.601 -8.188 0.976 1.00 0.00 C ATOM 1084 O LEU A 75 12.410 -7.394 1.899 1.00 0.00 O ATOM 1085 CB LEU A 75 10.291 -7.601 0.224 1.00 0.00 C ATOM 1086 CG LEU A 75 10.171 -6.410 -0.697 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.794 -5.785 -0.547 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.262 -5.410 -0.395 1.00 0.00 C ATOM 0 H LEU A 75 10.148 -10.031 0.403 1.00 0.00 H new ATOM 0 HA LEU A 75 11.885 -8.305 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.386 -8.202 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.336 -7.243 1.252 1.00 0.00 H new ATOM 0 HG LEU A 75 10.290 -6.734 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.710 -4.926 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.031 -6.520 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.652 -5.461 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.167 -4.555 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.172 -5.074 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.235 -5.878 -0.541 1.00 0.00 H new ATOM 1100 N ARG A 76 13.747 -8.836 0.808 1.00 0.00 N ATOM 1101 CA ARG A 76 14.870 -8.656 1.714 1.00 0.00 C ATOM 1102 C ARG A 76 15.259 -7.183 1.825 1.00 0.00 C ATOM 1103 O ARG A 76 14.893 -6.369 0.976 1.00 0.00 O ATOM 1104 CB ARG A 76 16.061 -9.491 1.242 1.00 0.00 C ATOM 1105 CG ARG A 76 15.732 -10.969 1.067 1.00 0.00 C ATOM 1106 CD ARG A 76 15.999 -11.754 2.341 1.00 0.00 C ATOM 1107 NE ARG A 76 17.428 -11.919 2.597 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.921 -12.406 3.732 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.103 -12.773 4.709 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.232 -12.526 3.890 1.00 0.00 N ATOM 0 H ARG A 76 13.922 -9.494 0.048 1.00 0.00 H new ATOM 0 HA ARG A 76 14.569 -8.996 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.422 -9.092 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.874 -9.390 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.685 -11.079 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.328 -11.381 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.537 -11.242 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.529 -12.735 2.267 1.00 0.00 H new ATOM 0 HE ARG A 76 18.084 -11.646 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.094 -12.682 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.483 -13.146 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.864 -12.245 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.609 -12.900 4.761 1.00 0.00 H new ATOM 1124 N ARG A 77 15.983 -6.846 2.888 1.00 0.00 N ATOM 1125 CA ARG A 77 16.401 -5.470 3.129 1.00 0.00 C ATOM 1126 C ARG A 77 17.117 -4.887 1.914 1.00 0.00 C ATOM 1127 O ARG A 77 17.811 -5.598 1.188 1.00 0.00 O ATOM 1128 CB ARG A 77 17.312 -5.412 4.357 1.00 0.00 C ATOM 1129 CG ARG A 77 17.941 -4.048 4.590 1.00 0.00 C ATOM 1130 CD ARG A 77 19.447 -4.091 4.397 1.00 0.00 C ATOM 1131 NE ARG A 77 20.163 -3.584 5.564 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.063 -2.334 6.004 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.282 -1.468 5.373 1.00 0.00 N ATOM 1134 NH2 ARG A 77 20.745 -1.950 7.073 1.00 0.00 N ATOM 0 H ARG A 77 16.293 -7.510 3.598 1.00 0.00 H new ATOM 0 HA ARG A 77 15.510 -4.870 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.736 -5.691 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.104 -6.153 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.505 -3.323 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.712 -3.708 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.758 -5.117 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.717 -3.501 3.521 1.00 0.00 H new ATOM 0 HE ARG A 77 20.774 -4.225 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.757 -1.761 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.206 -0.509 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.348 -2.614 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.667 -0.990 7.410 1.00 0.00 H new ATOM 1148 N GLY A 78 16.938 -3.587 1.699 1.00 0.00 N ATOM 1149 CA GLY A 78 17.561 -2.926 0.567 1.00 0.00 C ATOM 1150 C GLY A 78 16.629 -2.823 -0.623 1.00 0.00 C ATOM 1151 O GLY A 78 17.052 -2.992 -1.767 1.00 0.00 O ATOM 0 H GLY A 78 16.371 -2.979 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.880 -1.927 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.457 -3.474 0.277 1.00 0.00 H new ATOM 1155 N ASP A 79 15.355 -2.561 -0.352 1.00 0.00 N ATOM 1156 CA ASP A 79 14.355 -2.460 -1.408 1.00 0.00 C ATOM 1157 C ASP A 79 13.370 -1.325 -1.133 1.00 0.00 C ATOM 1158 O ASP A 79 13.097 -0.990 0.020 1.00 0.00 O ATOM 1159 CB ASP A 79 13.609 -3.793 -1.550 1.00 0.00 C ATOM 1160 CG ASP A 79 12.408 -3.706 -2.477 1.00 0.00 C ATOM 1161 OD1 ASP A 79 11.500 -2.896 -2.200 1.00 0.00 O ATOM 1162 OD2 ASP A 79 12.371 -4.460 -3.471 1.00 0.00 O ATOM 0 H ASP A 79 14.991 -2.415 0.589 1.00 0.00 H new ATOM 0 HA ASP A 79 14.868 -2.235 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.297 -4.550 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.278 -4.124 -0.566 1.00 0.00 H new ATOM 1167 N THR A 80 12.836 -0.744 -2.204 1.00 0.00 N ATOM 1168 CA THR A 80 11.863 0.340 -2.091 1.00 0.00 C ATOM 1169 C THR A 80 10.532 -0.063 -2.718 1.00 0.00 C ATOM 1170 O THR A 80 10.500 -0.747 -3.741 1.00 0.00 O ATOM 1171 CB THR A 80 12.394 1.605 -2.768 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.760 1.809 -2.449 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.637 2.856 -2.379 1.00 0.00 C ATOM 0 H THR A 80 13.061 -1.007 -3.163 1.00 0.00 H new ATOM 0 HA THR A 80 11.703 0.544 -1.032 1.00 0.00 H new ATOM 0 HB THR A 80 12.260 1.439 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.838 2.100 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.065 3.716 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.589 2.749 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.710 3.006 -1.302 1.00 0.00 H new ATOM 1181 N LEU A 81 9.435 0.368 -2.104 1.00 0.00 N ATOM 1182 CA LEU A 81 8.101 0.031 -2.589 1.00 0.00 C ATOM 1183 C LEU A 81 7.198 1.263 -2.562 1.00 0.00 C ATOM 1184 O LEU A 81 7.471 2.223 -1.846 1.00 0.00 O ATOM 1185 CB LEU A 81 7.497 -1.096 -1.737 1.00 0.00 C ATOM 1186 CG LEU A 81 8.196 -1.343 -0.395 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.208 -1.808 0.658 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.324 -2.351 -0.558 1.00 0.00 C ATOM 0 H LEU A 81 9.443 0.952 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 81 8.180 -0.315 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.449 -0.864 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.519 -2.019 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 81 8.624 -0.399 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.731 -1.975 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.442 -1.046 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.740 -2.737 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.809 -2.514 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.919 -3.294 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.054 -1.968 -1.271 1.00 0.00 H new ATOM 1200 N THR A 82 6.137 1.237 -3.360 1.00 0.00 N ATOM 1201 CA THR A 82 5.204 2.358 -3.441 1.00 0.00 C ATOM 1202 C THR A 82 3.806 1.927 -3.011 1.00 0.00 C ATOM 1203 O THR A 82 3.281 0.940 -3.513 1.00 0.00 O ATOM 1204 CB THR A 82 5.155 2.876 -4.877 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.287 1.809 -5.799 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.238 3.879 -5.179 1.00 0.00 C ATOM 0 H THR A 82 5.900 0.449 -3.963 1.00 0.00 H new ATOM 0 HA THR A 82 5.548 3.147 -2.772 1.00 0.00 H new ATOM 0 HB THR A 82 4.187 3.366 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.252 2.160 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.150 4.209 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.135 4.737 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.214 3.418 -5.027 1.00 0.00 H new ATOM 1214 N ILE A 83 3.190 2.672 -2.098 1.00 0.00 N ATOM 1215 CA ILE A 83 1.849 2.308 -1.634 1.00 0.00 C ATOM 1216 C ILE A 83 0.832 3.453 -1.856 1.00 0.00 C ATOM 1217 O ILE A 83 0.790 4.014 -2.950 1.00 0.00 O ATOM 1218 CB ILE A 83 1.870 1.801 -0.173 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.554 1.062 0.165 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.195 2.948 0.776 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.153 1.076 1.629 1.00 0.00 C ATOM 0 H ILE A 83 3.583 3.511 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 83 1.506 1.474 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 83 2.665 1.066 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.252 1.507 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.647 0.025 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.207 2.579 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.173 3.360 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.438 3.726 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.782 0.531 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.933 0.601 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.020 2.106 1.960 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.047 3.750 -0.882 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.034 4.792 -1.088 1.00 0.00 C ATOM 1235 C GLY A 84 -0.385 6.123 -1.369 1.00 0.00 C ATOM 1236 O GLY A 84 -0.813 6.867 -2.253 1.00 0.00 O ATOM 0 H GLY A 84 -0.085 3.290 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.683 4.520 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.667 4.874 -0.204 1.00 0.00 H new ATOM 1240 N GLU A 85 0.679 6.400 -0.633 1.00 0.00 N ATOM 1241 CA GLU A 85 1.465 7.603 -0.843 1.00 0.00 C ATOM 1242 C GLU A 85 2.592 7.325 -1.833 1.00 0.00 C ATOM 1243 O GLU A 85 3.555 8.086 -1.919 1.00 0.00 O ATOM 1244 CB GLU A 85 2.058 8.094 0.481 1.00 0.00 C ATOM 1245 CG GLU A 85 1.187 9.102 1.211 1.00 0.00 C ATOM 1246 CD GLU A 85 0.706 10.223 0.311 1.00 0.00 C ATOM 1247 OE1 GLU A 85 1.470 10.630 -0.590 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.434 10.694 0.506 1.00 0.00 O ATOM 0 H GLU A 85 1.019 5.803 0.120 1.00 0.00 H new ATOM 0 HA GLU A 85 0.810 8.376 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.227 7.236 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.032 8.544 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.325 8.589 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.749 9.526 2.043 1.00 0.00 H new ATOM 1255 N GLU A 86 2.482 6.212 -2.562 1.00 0.00 N ATOM 1256 CA GLU A 86 3.502 5.826 -3.515 1.00 0.00 C ATOM 1257 C GLU A 86 4.845 5.685 -2.824 1.00 0.00 C ATOM 1258 O GLU A 86 5.886 5.851 -3.454 1.00 0.00 O ATOM 1259 CB GLU A 86 3.606 6.869 -4.628 1.00 0.00 C ATOM 1260 CG GLU A 86 2.479 6.789 -5.640 1.00 0.00 C ATOM 1261 CD GLU A 86 2.049 8.152 -6.145 1.00 0.00 C ATOM 1262 OE1 GLU A 86 1.932 9.081 -5.320 1.00 0.00 O ATOM 1263 OE2 GLU A 86 1.830 8.290 -7.367 1.00 0.00 O ATOM 0 H GLU A 86 1.693 5.568 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 86 3.222 4.865 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.614 7.864 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.557 6.743 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.797 6.177 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.624 6.288 -5.187 1.00 0.00 H new ATOM 1270 N ASN A 87 4.831 5.521 -1.505 1.00 0.00 N ATOM 1271 CA ASN A 87 6.089 5.419 -0.786 1.00 0.00 C ATOM 1272 C ASN A 87 6.074 4.469 0.408 1.00 0.00 C ATOM 1273 O ASN A 87 5.528 4.786 1.464 1.00 0.00 O ATOM 1274 CB ASN A 87 6.547 6.795 -0.335 1.00 0.00 C ATOM 1275 CG ASN A 87 7.137 7.598 -1.473 1.00 0.00 C ATOM 1276 OD1 ASN A 87 6.484 8.480 -2.029 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.375 7.286 -1.835 1.00 0.00 N ATOM 0 H ASN A 87 3.991 5.458 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 87 6.790 4.987 -1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.702 7.337 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.289 6.689 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.823 7.785 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.879 6.547 -1.345 1.00 0.00 H new ATOM 1284 N PHE A 88 6.821 3.384 0.273 1.00 0.00 N ATOM 1285 CA PHE A 88 7.084 2.467 1.355 1.00 0.00 C ATOM 1286 C PHE A 88 8.544 2.051 1.282 1.00 0.00 C ATOM 1287 O PHE A 88 9.146 2.057 0.208 1.00 0.00 O ATOM 1288 CB PHE A 88 6.205 1.221 1.289 1.00 0.00 C ATOM 1289 CG PHE A 88 5.088 1.189 2.279 1.00 0.00 C ATOM 1290 CD1 PHE A 88 5.237 1.761 3.522 1.00 0.00 C ATOM 1291 CD2 PHE A 88 3.927 0.503 1.996 1.00 0.00 C ATOM 1292 CE1 PHE A 88 4.211 1.727 4.446 1.00 0.00 C ATOM 1293 CE2 PHE A 88 2.901 0.444 2.916 1.00 0.00 C ATOM 1294 CZ PHE A 88 3.044 1.052 4.146 1.00 0.00 C ATOM 0 H PHE A 88 7.265 3.118 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 88 6.858 2.974 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.785 1.143 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.832 0.343 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.169 2.243 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.819 0.006 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.321 2.225 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.987 -0.078 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.246 1.000 4.872 1.00 0.00 H new ATOM 1304 N TRP A 89 9.120 1.733 2.421 1.00 0.00 N ATOM 1305 CA TRP A 89 10.514 1.312 2.466 1.00 0.00 C ATOM 1306 C TRP A 89 10.673 0.107 3.366 1.00 0.00 C ATOM 1307 O TRP A 89 10.065 0.038 4.433 1.00 0.00 O ATOM 1308 CB TRP A 89 11.414 2.450 2.947 1.00 0.00 C ATOM 1309 CG TRP A 89 12.868 2.207 2.687 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.739 1.523 3.485 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.623 2.645 1.551 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.990 1.509 2.915 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.944 2.191 1.727 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.311 3.377 0.403 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.949 2.445 0.798 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.309 3.629 -0.519 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.615 3.164 -0.316 1.00 0.00 C ATOM 0 H TRP A 89 8.652 1.756 3.327 1.00 0.00 H new ATOM 0 HA TRP A 89 10.816 1.040 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.114 3.374 2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.263 2.596 4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.483 1.060 4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.818 1.064 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.307 3.740 0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.956 2.087 0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 14.079 4.193 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.373 3.378 -1.055 1.00 0.00 H new ATOM 1328 N VAL A 90 11.535 -0.817 2.973 1.00 0.00 N ATOM 1329 CA VAL A 90 11.703 -2.028 3.746 1.00 0.00 C ATOM 1330 C VAL A 90 12.695 -1.808 4.869 1.00 0.00 C ATOM 1331 O VAL A 90 13.903 -1.705 4.663 1.00 0.00 O ATOM 1332 CB VAL A 90 12.163 -3.211 2.877 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.024 -4.520 3.646 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.372 -3.261 1.580 1.00 0.00 C ATOM 0 H VAL A 90 12.118 -0.751 2.138 1.00 0.00 H new ATOM 0 HA VAL A 90 10.727 -2.277 4.163 1.00 0.00 H new ATOM 0 HB VAL A 90 13.215 -3.070 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.353 -5.348 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.638 -4.480 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.981 -4.669 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.712 -4.104 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.312 -3.379 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.524 -2.335 1.025 1.00 0.00 H new ATOM 1344 N ASP A 91 12.135 -1.748 6.061 1.00 0.00 N ATOM 1345 CA ASP A 91 12.881 -1.553 7.284 1.00 0.00 C ATOM 1346 C ASP A 91 13.109 -2.887 8.001 1.00 0.00 C ATOM 1347 O ASP A 91 13.813 -2.937 9.007 1.00 0.00 O ATOM 1348 CB ASP A 91 12.090 -0.608 8.188 1.00 0.00 C ATOM 1349 CG ASP A 91 12.942 0.001 9.284 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.134 -0.359 9.379 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.417 0.839 10.048 1.00 0.00 O ATOM 0 H ASP A 91 11.129 -1.835 6.207 1.00 0.00 H new ATOM 0 HA ASP A 91 13.856 -1.126 7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.658 0.190 7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.260 -1.152 8.638 1.00 0.00 H new ATOM 1356 N ARG A 92 12.492 -3.956 7.461 1.00 0.00 N ATOM 1357 CA ARG A 92 12.569 -5.319 8.010 1.00 0.00 C ATOM 1358 C ARG A 92 13.761 -5.540 8.938 1.00 0.00 C ATOM 1359 O ARG A 92 14.915 -5.480 8.515 1.00 0.00 O ATOM 1360 CB ARG A 92 12.627 -6.332 6.863 1.00 0.00 C ATOM 1361 CG ARG A 92 11.263 -6.683 6.290 1.00 0.00 C ATOM 1362 CD ARG A 92 11.087 -8.185 6.142 1.00 0.00 C ATOM 1363 NE ARG A 92 12.277 -8.824 5.589 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.525 -10.126 5.683 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.667 -10.924 6.303 1.00 0.00 N ATOM 1366 NH2 ARG A 92 13.632 -10.632 5.155 1.00 0.00 N ATOM 0 H ARG A 92 11.919 -3.893 6.620 1.00 0.00 H new ATOM 0 HA ARG A 92 11.671 -5.460 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.254 -5.931 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.108 -7.243 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.482 -6.287 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.142 -6.205 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.861 -8.621 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.233 -8.388 5.495 1.00 0.00 H new ATOM 0 HE ARG A 92 12.956 -8.238 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.814 -10.539 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.860 -11.923 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.294 -10.021 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.821 -11.632 5.228 1.00 0.00 H new ATOM 1499 N LEU A 103 7.344 -7.692 8.301 1.00 0.00 N ATOM 1500 CA LEU A 103 7.630 -6.594 7.394 1.00 0.00 C ATOM 1501 C LEU A 103 7.625 -5.271 8.142 1.00 0.00 C ATOM 1502 O LEU A 103 6.571 -4.691 8.395 1.00 0.00 O ATOM 1503 CB LEU A 103 6.623 -6.544 6.244 1.00 0.00 C ATOM 1504 CG LEU A 103 7.248 -6.339 4.857 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.193 -5.966 3.831 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.337 -5.276 4.906 1.00 0.00 C ATOM 0 HA LEU A 103 8.621 -6.764 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.052 -7.473 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.916 -5.736 6.432 1.00 0.00 H new ATOM 0 HG LEU A 103 7.699 -7.284 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.665 -5.827 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.452 -6.763 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.704 -5.040 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.765 -5.148 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.909 -4.331 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.118 -5.587 5.600 1.00 0.00 H new ATOM 1518 N TRP A 104 8.812 -4.778 8.453 1.00 0.00 N ATOM 1519 CA TRP A 104 8.951 -3.513 9.137 1.00 0.00 C ATOM 1520 C TRP A 104 9.216 -2.438 8.098 1.00 0.00 C ATOM 1521 O TRP A 104 10.184 -2.524 7.355 1.00 0.00 O ATOM 1522 CB TRP A 104 10.087 -3.595 10.160 1.00 0.00 C ATOM 1523 CG TRP A 104 9.756 -2.981 11.486 1.00 0.00 C ATOM 1524 CD1 TRP A 104 8.595 -2.354 11.839 1.00 0.00 C ATOM 1525 CD2 TRP A 104 10.595 -2.955 12.648 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.664 -1.933 13.146 1.00 0.00 N ATOM 1527 CE2 TRP A 104 9.881 -2.290 13.664 1.00 0.00 C ATOM 1528 CE3 TRP A 104 11.881 -3.426 12.927 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 10.413 -2.085 14.935 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 12.407 -3.221 14.189 1.00 0.00 C ATOM 1531 CH2 TRP A 104 11.673 -2.556 15.179 1.00 0.00 C ATOM 0 H TRP A 104 9.695 -5.241 8.239 1.00 0.00 H new ATOM 0 HA TRP A 104 8.039 -3.267 9.681 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.352 -4.642 10.311 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.967 -3.100 9.751 1.00 0.00 H new ATOM 0 HD1 TRP A 104 7.747 -2.210 11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.929 -1.436 13.648 1.00 0.00 H new ATOM 0 HE3 TRP A 104 12.454 -3.941 12.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 9.850 -1.572 15.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 13.400 -3.580 14.415 1.00 0.00 H new ATOM 0 HH2 TRP A 104 12.111 -2.412 16.155 1.00 0.00 H new ATOM 1542 N LEU A 105 8.274 -1.512 7.946 1.00 0.00 N ATOM 1543 CA LEU A 105 8.348 -0.531 6.871 1.00 0.00 C ATOM 1544 C LEU A 105 8.699 0.871 7.336 1.00 0.00 C ATOM 1545 O LEU A 105 8.602 1.211 8.515 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 -0.464 6.113 1.00 0.00 C ATOM 1547 CG LEU A 105 6.837 -1.534 5.043 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.600 -1.226 4.247 1.00 0.00 C ATOM 1549 CD2 LEU A 105 8.038 -1.665 4.121 1.00 0.00 C ATOM 0 H LEU A 105 7.457 -1.421 8.549 1.00 0.00 H new ATOM 0 HA LEU A 105 9.157 -0.879 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.219 -0.537 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.960 0.515 5.641 1.00 0.00 H new ATOM 0 HG LEU A 105 6.723 -2.491 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.459 -1.991 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.735 -1.211 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.708 -0.252 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.844 -2.439 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.215 -0.715 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.918 -1.935 4.705 1.00 0.00 H new ATOM 1561 N GLY A 106 9.106 1.672 6.361 1.00 0.00 N ATOM 1562 CA GLY A 106 9.413 3.073 6.586 1.00 0.00 C ATOM 1563 C GLY A 106 8.998 3.921 5.393 1.00 0.00 C ATOM 1564 O GLY A 106 9.425 3.659 4.268 1.00 0.00 O ATOM 0 H GLY A 106 9.232 1.368 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.899 3.422 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.482 3.190 6.766 1.00 0.00 H new ATOM 1568 N ARG A 107 8.136 4.909 5.616 1.00 0.00 N ATOM 1569 CA ARG A 107 7.641 5.741 4.520 1.00 0.00 C ATOM 1570 C ARG A 107 8.387 7.068 4.434 1.00 0.00 C ATOM 1571 O ARG A 107 8.659 7.710 5.448 1.00 0.00 O ATOM 1572 CB ARG A 107 6.148 6.019 4.688 1.00 0.00 C ATOM 1573 CG ARG A 107 5.306 4.763 4.761 1.00 0.00 C ATOM 1574 CD ARG A 107 4.160 4.792 3.760 1.00 0.00 C ATOM 1575 NE ARG A 107 2.859 4.807 4.423 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.720 5.099 3.804 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.723 5.400 2.513 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.578 5.091 4.475 1.00 0.00 N ATOM 0 H ARG A 107 7.768 5.153 6.535 1.00 0.00 H new ATOM 0 HA ARG A 107 7.813 5.186 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.995 6.603 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.804 6.630 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.934 3.893 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.906 4.652 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.254 5.673 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.225 3.921 3.108 1.00 0.00 H new ATOM 0 HE ARG A 107 2.823 4.581 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.601 5.408 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.848 5.624 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.572 4.860 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.295 5.315 3.998 1.00 0.00 H new ATOM 1592 N GLY A 108 8.670 7.494 3.208 1.00 0.00 N ATOM 1593 CA GLY A 108 9.338 8.764 2.992 1.00 0.00 C ATOM 1594 C GLY A 108 8.475 9.752 2.226 1.00 0.00 C ATOM 1595 O GLY A 108 8.721 10.958 2.261 1.00 0.00 O ATOM 0 H GLY A 108 8.447 6.979 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.611 9.196 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.265 8.595 2.444 1.00 0.00 H new