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 150:sc= -5.37! 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=-0.00169 USER MOD Single : A 31 SER OG : rot 138:sc= 0.12 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -16:sc= 0.747 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 87 ASN : amide:sc= 0.92 K(o=0.92,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.433 -1.911 2.824 1.00 0.00 N ATOM 352 CA GLY A 24 -7.214 -2.225 1.425 1.00 0.00 C ATOM 353 C GLY A 24 -6.139 -1.367 0.795 1.00 0.00 C ATOM 354 O GLY A 24 -6.402 -0.632 -0.157 1.00 0.00 O ATOM 0 HA2 GLY A 24 -6.936 -3.275 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.147 -2.092 0.877 1.00 0.00 H new ATOM 358 N THR A 25 -4.916 -1.483 1.299 1.00 0.00 N ATOM 359 CA THR A 25 -3.813 -0.694 0.790 1.00 0.00 C ATOM 360 C THR A 25 -3.050 -1.437 -0.299 1.00 0.00 C ATOM 361 O THR A 25 -2.765 -2.631 -0.176 1.00 0.00 O ATOM 362 CB THR A 25 -2.861 -0.362 1.923 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.883 0.568 1.501 1.00 0.00 O ATOM 364 CG2 THR A 25 -2.155 -1.592 2.455 1.00 0.00 C ATOM 0 H THR A 25 -4.668 -2.117 2.059 1.00 0.00 H new ATOM 0 HA THR A 25 -4.225 0.219 0.360 1.00 0.00 H new ATOM 0 HB THR A 25 -3.469 0.066 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.606 1.120 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.484 -1.305 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.893 -2.302 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.579 -2.056 1.654 1.00 0.00 H new ATOM 372 N SER A 26 -2.682 -0.708 -1.338 1.00 0.00 N ATOM 373 CA SER A 26 -1.927 -1.275 -2.440 1.00 0.00 C ATOM 374 C SER A 26 -0.479 -0.837 -2.374 1.00 0.00 C ATOM 375 O SER A 26 -0.194 0.345 -2.490 1.00 0.00 O ATOM 376 CB SER A 26 -2.517 -0.804 -3.765 1.00 0.00 C ATOM 377 OG SER A 26 -3.869 -1.208 -3.900 1.00 0.00 O ATOM 0 H SER A 26 -2.896 0.284 -1.441 1.00 0.00 H new ATOM 0 HA SER A 26 -1.981 -2.361 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.452 0.282 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.931 -1.208 -4.590 1.00 0.00 H new ATOM 0 HG SER A 26 -4.221 -0.891 -4.758 1.00 0.00 H new ATOM 383 N ALA A 27 0.436 -1.797 -2.325 1.00 0.00 N ATOM 384 CA ALA A 27 1.861 -1.485 -2.299 1.00 0.00 C ATOM 385 C ALA A 27 2.570 -2.200 -3.430 1.00 0.00 C ATOM 386 O ALA A 27 2.175 -3.285 -3.832 1.00 0.00 O ATOM 387 CB ALA A 27 2.487 -1.856 -0.958 1.00 0.00 C ATOM 0 H ALA A 27 0.219 -2.793 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 27 1.975 -0.409 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.549 -1.611 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.996 -1.298 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.364 -2.925 -0.782 1.00 0.00 H new ATOM 393 N THR A 28 3.580 -1.555 -3.975 1.00 0.00 N ATOM 394 CA THR A 28 4.326 -2.105 -5.088 1.00 0.00 C ATOM 395 C THR A 28 5.791 -2.254 -4.701 1.00 0.00 C ATOM 396 O THR A 28 6.368 -1.355 -4.104 1.00 0.00 O ATOM 397 CB THR A 28 4.155 -1.190 -6.308 1.00 0.00 C ATOM 398 OG1 THR A 28 2.904 -1.426 -6.930 1.00 0.00 O ATOM 399 CG2 THR A 28 5.225 -1.343 -7.370 1.00 0.00 C ATOM 0 H THR A 28 3.906 -0.641 -3.662 1.00 0.00 H new ATOM 0 HA THR A 28 3.948 -3.095 -5.344 1.00 0.00 H new ATOM 0 HB THR A 28 4.231 -0.180 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.807 -0.835 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.022 -0.657 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.200 -1.114 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.224 -2.367 -7.743 1.00 0.00 H new ATOM 407 N ILE A 29 6.371 -3.407 -5.008 1.00 0.00 N ATOM 408 CA ILE A 29 7.758 -3.674 -4.665 1.00 0.00 C ATOM 409 C ILE A 29 8.660 -3.555 -5.882 1.00 0.00 C ATOM 410 O ILE A 29 8.476 -4.251 -6.880 1.00 0.00 O ATOM 411 CB ILE A 29 7.925 -5.081 -4.065 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.830 -5.365 -3.034 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.300 -5.242 -3.438 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.598 -4.229 -2.061 1.00 0.00 C ATOM 0 H ILE A 29 5.901 -4.171 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 29 8.046 -2.928 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 29 7.831 -5.805 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.898 -5.579 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.095 -6.262 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.394 -6.244 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.066 -5.092 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.427 -4.505 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.808 -4.504 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.517 -4.029 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.302 -3.335 -2.610 1.00 0.00 H new ATOM 426 N THR A 30 9.645 -2.676 -5.783 1.00 0.00 N ATOM 427 CA THR A 30 10.595 -2.471 -6.865 1.00 0.00 C ATOM 428 C THR A 30 12.024 -2.609 -6.354 1.00 0.00 C ATOM 429 O THR A 30 12.577 -1.680 -5.765 1.00 0.00 O ATOM 430 CB THR A 30 10.391 -1.094 -7.497 1.00 0.00 C ATOM 431 OG1 THR A 30 11.564 -0.672 -8.170 1.00 0.00 O ATOM 432 CG2 THR A 30 10.022 -0.022 -6.495 1.00 0.00 C ATOM 0 H THR A 30 9.807 -2.092 -4.963 1.00 0.00 H new ATOM 0 HA THR A 30 10.423 -3.234 -7.624 1.00 0.00 H new ATOM 0 HB THR A 30 9.560 -1.216 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.413 0.210 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.892 0.929 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.092 -0.294 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.816 0.072 -5.754 1.00 0.00 H new ATOM 440 N SER A 31 12.616 -3.778 -6.578 1.00 0.00 N ATOM 441 CA SER A 31 13.972 -4.042 -6.135 1.00 0.00 C ATOM 442 C SER A 31 14.905 -4.255 -7.322 1.00 0.00 C ATOM 443 O SER A 31 14.463 -4.601 -8.418 1.00 0.00 O ATOM 444 CB SER A 31 14.002 -5.270 -5.222 1.00 0.00 C ATOM 445 OG SER A 31 14.112 -6.465 -5.975 1.00 0.00 O ATOM 0 H SER A 31 12.173 -4.557 -7.065 1.00 0.00 H new ATOM 0 HA SER A 31 14.319 -3.172 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.842 -5.193 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.095 -5.300 -4.618 1.00 0.00 H new ATOM 0 HG SER A 31 14.745 -7.071 -5.536 1.00 0.00 H new ATOM 451 N GLY A 32 16.197 -4.055 -7.094 1.00 0.00 N ATOM 452 CA GLY A 32 17.173 -4.232 -8.154 1.00 0.00 C ATOM 453 C GLY A 32 17.156 -5.632 -8.740 1.00 0.00 C ATOM 454 O GLY A 32 17.677 -5.858 -9.831 1.00 0.00 O ATOM 0 H GLY A 32 16.587 -3.773 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.978 -3.509 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.168 -4.018 -7.765 1.00 0.00 H new ATOM 458 N GLU A 33 16.557 -6.574 -8.016 1.00 0.00 N ATOM 459 CA GLU A 33 16.488 -7.957 -8.472 1.00 0.00 C ATOM 460 C GLU A 33 15.276 -8.184 -9.369 1.00 0.00 C ATOM 461 O GLU A 33 15.415 -8.379 -10.577 1.00 0.00 O ATOM 462 CB GLU A 33 16.435 -8.909 -7.276 1.00 0.00 C ATOM 463 CG GLU A 33 17.544 -8.672 -6.263 1.00 0.00 C ATOM 464 CD GLU A 33 17.108 -8.967 -4.841 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.217 -8.253 -4.334 1.00 0.00 O ATOM 466 OE2 GLU A 33 17.658 -9.910 -4.235 1.00 0.00 O ATOM 0 H GLU A 33 16.114 -6.404 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 33 17.387 -8.161 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.471 -8.802 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.496 -9.936 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.400 -9.298 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.877 -7.636 -6.330 1.00 0.00 H new ATOM 473 N GLN A 34 14.087 -8.174 -8.773 1.00 0.00 N ATOM 474 CA GLN A 34 12.858 -8.395 -9.525 1.00 0.00 C ATOM 475 C GLN A 34 11.800 -7.352 -9.178 1.00 0.00 C ATOM 476 O GLN A 34 10.779 -7.669 -8.567 1.00 0.00 O ATOM 477 CB GLN A 34 12.314 -9.795 -9.255 1.00 0.00 C ATOM 478 CG GLN A 34 12.899 -10.860 -10.168 1.00 0.00 C ATOM 479 CD GLN A 34 12.270 -12.222 -9.956 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.106 -12.441 -10.292 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.039 -13.149 -9.396 1.00 0.00 N ATOM 0 H GLN A 34 13.950 -8.016 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 34 13.096 -8.300 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.521 -10.063 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.230 -9.784 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.761 -10.558 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.973 -10.930 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.999 -12.925 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.670 -14.085 -9.229 1.00 0.00 H new ATOM 490 N SER A 35 12.043 -6.113 -9.587 1.00 0.00 N ATOM 491 CA SER A 35 11.102 -5.028 -9.336 1.00 0.00 C ATOM 492 C SER A 35 9.886 -5.146 -10.247 1.00 0.00 C ATOM 493 O SER A 35 9.892 -5.910 -11.212 1.00 0.00 O ATOM 494 CB SER A 35 11.784 -3.675 -9.558 1.00 0.00 C ATOM 495 OG SER A 35 12.309 -3.578 -10.871 1.00 0.00 O ATOM 0 H SER A 35 12.883 -5.834 -10.094 1.00 0.00 H new ATOM 0 HA SER A 35 10.770 -5.098 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.068 -2.871 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.586 -3.545 -8.832 1.00 0.00 H new ATOM 0 HG SER A 35 12.738 -2.705 -10.988 1.00 0.00 H new ATOM 501 N GLY A 36 8.843 -4.383 -9.938 1.00 0.00 N ATOM 502 CA GLY A 36 7.637 -4.416 -10.742 1.00 0.00 C ATOM 503 C GLY A 36 6.634 -5.439 -10.246 1.00 0.00 C ATOM 504 O GLY A 36 6.140 -6.258 -11.018 1.00 0.00 O ATOM 0 H GLY A 36 8.812 -3.742 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.175 -3.429 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.900 -4.642 -11.776 1.00 0.00 H new ATOM 508 N ALA A 37 6.335 -5.390 -8.952 1.00 0.00 N ATOM 509 CA ALA A 37 5.381 -6.317 -8.352 1.00 0.00 C ATOM 510 C ALA A 37 4.408 -5.582 -7.437 1.00 0.00 C ATOM 511 O ALA A 37 4.813 -4.775 -6.601 1.00 0.00 O ATOM 512 CB ALA A 37 6.114 -7.406 -7.585 1.00 0.00 C ATOM 0 H ALA A 37 6.739 -4.719 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 37 4.806 -6.781 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.390 -8.090 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.764 -7.956 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.715 -6.954 -6.796 1.00 0.00 H new ATOM 518 N VAL A 38 3.120 -5.873 -7.597 1.00 0.00 N ATOM 519 CA VAL A 38 2.086 -5.230 -6.794 1.00 0.00 C ATOM 520 C VAL A 38 1.630 -6.129 -5.647 1.00 0.00 C ATOM 521 O VAL A 38 1.101 -7.218 -5.865 1.00 0.00 O ATOM 522 CB VAL A 38 0.865 -4.851 -7.651 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.219 -6.093 -8.245 1.00 0.00 C ATOM 524 CG2 VAL A 38 -0.140 -4.059 -6.827 1.00 0.00 C ATOM 0 H VAL A 38 2.768 -6.549 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 38 2.529 -4.324 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 38 1.204 -4.221 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.642 -5.803 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.942 -6.614 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.106 -6.754 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.997 -3.800 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.474 -4.662 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.330 -3.147 -6.458 1.00 0.00 H new ATOM 534 N ILE A 39 1.835 -5.651 -4.425 1.00 0.00 N ATOM 535 CA ILE A 39 1.450 -6.384 -3.227 1.00 0.00 C ATOM 536 C ILE A 39 0.514 -5.561 -2.349 1.00 0.00 C ATOM 537 O ILE A 39 0.564 -4.331 -2.356 1.00 0.00 O ATOM 538 CB ILE A 39 2.684 -6.774 -2.383 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.344 -5.540 -1.761 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.685 -7.547 -3.227 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.889 -5.276 -0.343 1.00 0.00 C ATOM 0 H ILE A 39 2.271 -4.748 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 39 0.939 -7.284 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 39 2.344 -7.416 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.426 -5.670 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.122 -4.668 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.547 -7.813 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.216 -8.454 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.010 -6.928 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.392 -4.389 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.811 -5.115 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.135 -6.133 0.284 1.00 0.00 H new ATOM 553 N ARG A 40 -0.296 -6.245 -1.550 1.00 0.00 N ATOM 554 CA ARG A 40 -1.153 -5.565 -0.594 1.00 0.00 C ATOM 555 C ARG A 40 -0.522 -5.631 0.786 1.00 0.00 C ATOM 556 O ARG A 40 -0.155 -6.707 1.261 1.00 0.00 O ATOM 557 CB ARG A 40 -2.553 -6.174 -0.555 1.00 0.00 C ATOM 558 CG ARG A 40 -3.463 -5.510 0.470 1.00 0.00 C ATOM 559 CD ARG A 40 -4.815 -5.155 -0.130 1.00 0.00 C ATOM 560 NE ARG A 40 -5.921 -5.706 0.650 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.201 -5.480 0.373 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.535 -4.717 -0.658 1.00 0.00 N ATOM 563 NH2 ARG A 40 -8.149 -6.017 1.129 1.00 0.00 N ATOM 0 H ARG A 40 -0.376 -7.262 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.254 -4.526 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.007 -6.092 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.474 -7.237 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.605 -6.179 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.985 -4.608 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.914 -4.071 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.869 -5.532 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.698 -6.297 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.809 -4.301 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.518 -4.545 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.896 -6.604 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.131 -5.843 0.916 1.00 0.00 H new ATOM 577 N GLY A 41 -0.346 -4.476 1.399 1.00 0.00 N ATOM 578 CA GLY A 41 0.270 -4.422 2.708 1.00 0.00 C ATOM 579 C GLY A 41 0.300 -3.015 3.243 1.00 0.00 C ATOM 580 O GLY A 41 0.480 -2.071 2.481 1.00 0.00 O ATOM 0 H GLY A 41 -0.618 -3.571 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.279 -5.063 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.286 -4.813 2.650 1.00 0.00 H new ATOM 584 N VAL A 42 0.108 -2.857 4.544 1.00 0.00 N ATOM 585 CA VAL A 42 0.022 -1.521 5.113 1.00 0.00 C ATOM 586 C VAL A 42 1.102 -1.237 6.147 1.00 0.00 C ATOM 587 O VAL A 42 2.131 -1.903 6.197 1.00 0.00 O ATOM 588 CB VAL A 42 -1.361 -1.234 5.749 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.865 0.108 5.245 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.366 -2.349 5.504 1.00 0.00 C ATOM 0 H VAL A 42 0.011 -3.620 5.214 1.00 0.00 H new ATOM 0 HA VAL A 42 0.173 -0.856 4.263 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.242 -1.192 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.839 0.320 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.160 0.890 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.958 0.077 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.316 -2.092 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.513 -2.477 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.990 -3.278 5.932 1.00 0.00 H new ATOM 600 N PHE A 43 0.854 -0.199 6.942 1.00 0.00 N ATOM 601 CA PHE A 43 1.775 0.261 7.947 1.00 0.00 C ATOM 602 C PHE A 43 1.117 0.240 9.321 1.00 0.00 C ATOM 603 O PHE A 43 0.194 1.007 9.594 1.00 0.00 O ATOM 604 CB PHE A 43 2.173 1.679 7.571 1.00 0.00 C ATOM 605 CG PHE A 43 3.044 2.389 8.570 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.526 2.836 9.776 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.369 2.660 8.274 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.324 3.509 10.681 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.169 3.336 9.173 1.00 0.00 C ATOM 610 CZ PHE A 43 4.646 3.761 10.378 1.00 0.00 C ATOM 0 H PHE A 43 -0.007 0.345 6.896 1.00 0.00 H new ATOM 0 HA PHE A 43 2.650 -0.387 7.995 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.695 1.651 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.267 2.266 7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.487 2.656 10.010 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.781 2.339 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.913 3.837 11.624 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.204 3.532 8.934 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.271 4.290 11.082 1.00 0.00 H new ATOM 893 N SER A 64 5.298 -2.114 11.476 1.00 0.00 N ATOM 894 CA SER A 64 5.329 -3.307 10.636 1.00 0.00 C ATOM 895 C SER A 64 4.190 -3.261 9.633 1.00 0.00 C ATOM 896 O SER A 64 3.274 -2.456 9.765 1.00 0.00 O ATOM 897 CB SER A 64 5.231 -4.573 11.490 1.00 0.00 C ATOM 898 OG SER A 64 4.840 -4.264 12.818 1.00 0.00 O ATOM 0 HA SER A 64 6.277 -3.330 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.511 -5.260 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.194 -5.084 11.501 1.00 0.00 H new ATOM 0 HG SER A 64 4.967 -3.306 12.982 1.00 0.00 H new ATOM 904 N LEU A 65 4.260 -4.108 8.620 1.00 0.00 N ATOM 905 CA LEU A 65 3.245 -4.114 7.582 1.00 0.00 C ATOM 906 C LEU A 65 2.468 -5.426 7.605 1.00 0.00 C ATOM 907 O LEU A 65 3.040 -6.493 7.825 1.00 0.00 O ATOM 908 CB LEU A 65 3.887 -3.919 6.204 1.00 0.00 C ATOM 909 CG LEU A 65 2.997 -4.275 4.998 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.349 -3.410 3.798 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.121 -5.747 4.634 1.00 0.00 C ATOM 0 H LEU A 65 5.003 -4.795 8.495 1.00 0.00 H new ATOM 0 HA LEU A 65 2.557 -3.290 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.195 -2.878 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.792 -4.524 6.156 1.00 0.00 H new ATOM 0 HG LEU A 65 1.963 -4.080 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.709 -3.677 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.198 -2.360 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.392 -3.572 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.481 -5.966 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.156 -5.973 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.815 -6.359 5.483 1.00 0.00 H new ATOM 923 N PHE A 66 1.160 -5.337 7.414 1.00 0.00 N ATOM 924 CA PHE A 66 0.325 -6.525 7.352 1.00 0.00 C ATOM 925 C PHE A 66 0.087 -6.880 5.895 1.00 0.00 C ATOM 926 O PHE A 66 -0.604 -6.159 5.181 1.00 0.00 O ATOM 927 CB PHE A 66 -1.007 -6.284 8.066 1.00 0.00 C ATOM 928 CG PHE A 66 -1.985 -7.412 7.905 1.00 0.00 C ATOM 929 CD1 PHE A 66 -1.852 -8.573 8.650 1.00 0.00 C ATOM 930 CD2 PHE A 66 -3.036 -7.313 7.007 1.00 0.00 C ATOM 931 CE1 PHE A 66 -2.750 -9.614 8.504 1.00 0.00 C ATOM 932 CE2 PHE A 66 -3.937 -8.350 6.856 1.00 0.00 C ATOM 933 CZ PHE A 66 -3.793 -9.501 7.606 1.00 0.00 C ATOM 0 H PHE A 66 0.656 -4.457 7.300 1.00 0.00 H new ATOM 0 HA PHE A 66 0.829 -7.351 7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.818 -6.126 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.455 -5.367 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.037 -8.666 9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.152 -6.415 6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.636 -10.513 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.752 -8.261 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.496 -10.313 7.490 1.00 0.00 H new ATOM 943 N VAL A 67 0.663 -7.989 5.460 1.00 0.00 N ATOM 944 CA VAL A 67 0.589 -8.381 4.063 1.00 0.00 C ATOM 945 C VAL A 67 -0.464 -9.457 3.824 1.00 0.00 C ATOM 946 O VAL A 67 -0.939 -10.097 4.762 1.00 0.00 O ATOM 947 CB VAL A 67 1.961 -8.864 3.569 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.351 -10.168 4.253 1.00 0.00 C ATOM 949 CG2 VAL A 67 1.974 -9.017 2.057 1.00 0.00 C ATOM 0 H VAL A 67 1.186 -8.633 6.054 1.00 0.00 H new ATOM 0 HA VAL A 67 0.291 -7.499 3.495 1.00 0.00 H new ATOM 0 HB VAL A 67 2.701 -8.108 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.326 -10.493 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.399 -10.013 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.607 -10.933 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.957 -9.360 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.220 -9.745 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.755 -8.056 1.592 1.00 0.00 H new ATOM 959 N ARG A 68 -0.839 -9.630 2.561 1.00 0.00 N ATOM 960 CA ARG A 68 -1.877 -10.587 2.195 1.00 0.00 C ATOM 961 C ARG A 68 -1.399 -12.032 2.326 1.00 0.00 C ATOM 962 O ARG A 68 -2.171 -12.909 2.713 1.00 0.00 O ATOM 963 CB ARG A 68 -2.357 -10.324 0.767 1.00 0.00 C ATOM 964 CG ARG A 68 -3.853 -10.525 0.585 1.00 0.00 C ATOM 965 CD ARG A 68 -4.653 -9.475 1.341 1.00 0.00 C ATOM 966 NE ARG A 68 -6.058 -9.848 1.472 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.511 -10.709 2.379 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.669 -11.282 3.229 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.803 -10.997 2.437 1.00 0.00 N ATOM 0 H ARG A 68 -0.439 -9.120 1.773 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.705 -10.450 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.099 -9.303 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.824 -10.986 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.101 -10.479 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.133 -11.519 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.221 -9.334 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.578 -8.519 0.822 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.730 -9.425 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.674 -11.062 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.017 -11.942 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.453 -10.558 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.147 -11.658 3.134 1.00 0.00 H new ATOM 983 N THR A 69 -0.135 -12.285 1.999 1.00 0.00 N ATOM 984 CA THR A 69 0.405 -13.639 2.080 1.00 0.00 C ATOM 985 C THR A 69 1.833 -13.645 2.637 1.00 0.00 C ATOM 986 O THR A 69 2.022 -13.634 3.854 1.00 0.00 O ATOM 987 CB THR A 69 0.353 -14.314 0.706 1.00 0.00 C ATOM 988 OG1 THR A 69 0.452 -13.351 -0.329 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.914 -15.109 0.476 1.00 0.00 C ATOM 0 H THR A 69 0.528 -11.579 1.679 1.00 0.00 H new ATOM 0 HA THR A 69 -0.216 -14.207 2.773 1.00 0.00 H new ATOM 0 HB THR A 69 1.199 -15.001 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.419 -13.801 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.885 -15.560 -0.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.993 -15.893 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.777 -14.447 0.549 1.00 0.00 H new ATOM 997 N ASP A 70 2.839 -13.676 1.759 1.00 0.00 N ATOM 998 CA ASP A 70 4.229 -13.709 2.205 1.00 0.00 C ATOM 999 C ASP A 70 5.170 -13.084 1.178 1.00 0.00 C ATOM 1000 O ASP A 70 6.381 -13.303 1.227 1.00 0.00 O ATOM 1001 CB ASP A 70 4.657 -15.151 2.486 1.00 0.00 C ATOM 1002 CG ASP A 70 4.507 -16.047 1.272 1.00 0.00 C ATOM 1003 OD1 ASP A 70 3.622 -15.768 0.435 1.00 0.00 O ATOM 1004 OD2 ASP A 70 5.271 -17.028 1.160 1.00 0.00 O ATOM 0 H ASP A 70 2.717 -13.679 0.746 1.00 0.00 H new ATOM 0 HA ASP A 70 4.293 -13.121 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.696 -15.161 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.060 -15.551 3.305 1.00 0.00 H new ATOM 1009 N GLU A 71 4.619 -12.304 0.253 1.00 0.00 N ATOM 1010 CA GLU A 71 5.434 -11.640 -0.755 1.00 0.00 C ATOM 1011 C GLU A 71 6.414 -10.690 -0.084 1.00 0.00 C ATOM 1012 O GLU A 71 7.609 -10.701 -0.378 1.00 0.00 O ATOM 1013 CB GLU A 71 4.554 -10.878 -1.747 1.00 0.00 C ATOM 1014 CG GLU A 71 5.019 -11.005 -3.190 1.00 0.00 C ATOM 1015 CD GLU A 71 4.108 -10.281 -4.162 1.00 0.00 C ATOM 1016 OE1 GLU A 71 2.873 -10.388 -4.010 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.630 -9.603 -5.073 1.00 0.00 O ATOM 0 H GLU A 71 3.619 -12.118 0.182 1.00 0.00 H new ATOM 0 HA GLU A 71 5.991 -12.398 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.531 -11.245 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.537 -9.824 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.029 -10.606 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.068 -12.060 -3.461 1.00 0.00 H new ATOM 1024 N VAL A 72 5.905 -9.896 0.854 1.00 0.00 N ATOM 1025 CA VAL A 72 6.742 -8.967 1.601 1.00 0.00 C ATOM 1026 C VAL A 72 7.946 -9.691 2.186 1.00 0.00 C ATOM 1027 O VAL A 72 9.030 -9.119 2.307 1.00 0.00 O ATOM 1028 CB VAL A 72 5.966 -8.286 2.737 1.00 0.00 C ATOM 1029 CG1 VAL A 72 4.986 -7.271 2.172 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.257 -9.325 3.591 1.00 0.00 C ATOM 0 H VAL A 72 4.919 -9.878 1.113 1.00 0.00 H new ATOM 0 HA VAL A 72 7.073 -8.200 0.901 1.00 0.00 H new ATOM 0 HB VAL A 72 6.670 -7.753 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.443 -6.796 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.531 -6.513 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.280 -7.775 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.711 -8.827 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.559 -9.889 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.992 -10.005 4.021 1.00 0.00 H new ATOM 1040 N ARG A 73 7.756 -10.964 2.520 1.00 0.00 N ATOM 1041 CA ARG A 73 8.844 -11.783 3.035 1.00 0.00 C ATOM 1042 C ARG A 73 9.985 -11.805 2.027 1.00 0.00 C ATOM 1043 O ARG A 73 11.159 -11.838 2.393 1.00 0.00 O ATOM 1044 CB ARG A 73 8.355 -13.207 3.304 1.00 0.00 C ATOM 1045 CG ARG A 73 9.135 -13.922 4.394 1.00 0.00 C ATOM 1046 CD ARG A 73 10.443 -14.487 3.863 1.00 0.00 C ATOM 1047 NE ARG A 73 11.500 -14.460 4.870 1.00 0.00 N ATOM 1048 CZ ARG A 73 12.697 -15.008 4.693 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.986 -15.621 3.553 1.00 0.00 N ATOM 1050 NH2 ARG A 73 13.607 -14.943 5.655 1.00 0.00 N ATOM 0 H ARG A 73 6.861 -11.448 2.443 1.00 0.00 H new ATOM 0 HA ARG A 73 9.199 -11.355 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.302 -13.174 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.421 -13.785 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.341 -13.229 5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.530 -14.729 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.286 -15.513 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.758 -13.914 2.991 1.00 0.00 H new ATOM 0 HE ARG A 73 11.309 -13.995 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.289 -15.672 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.906 -16.041 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.388 -14.472 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.526 -15.364 5.517 1.00 0.00 H new ATOM 1064 N GLN A 74 9.615 -11.762 0.751 1.00 0.00 N ATOM 1065 CA GLN A 74 10.585 -11.739 -0.337 1.00 0.00 C ATOM 1066 C GLN A 74 11.166 -10.338 -0.509 1.00 0.00 C ATOM 1067 O GLN A 74 12.239 -10.170 -1.088 1.00 0.00 O ATOM 1068 CB GLN A 74 9.923 -12.198 -1.639 1.00 0.00 C ATOM 1069 CG GLN A 74 8.859 -13.266 -1.437 1.00 0.00 C ATOM 1070 CD GLN A 74 8.782 -14.242 -2.596 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.544 -15.206 -2.661 1.00 0.00 O ATOM 1072 NE2 GLN A 74 7.856 -13.996 -3.516 1.00 0.00 N ATOM 0 H GLN A 74 8.642 -11.742 0.444 1.00 0.00 H new ATOM 0 HA GLN A 74 11.398 -12.422 -0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.472 -11.336 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.690 -12.583 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.070 -13.814 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.889 -12.787 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.246 -13.184 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.755 -14.619 -4.317 1.00 0.00 H new ATOM 1081 N LEU A 75 10.451 -9.338 0.008 1.00 0.00 N ATOM 1082 CA LEU A 75 10.893 -7.952 -0.042 1.00 0.00 C ATOM 1083 C LEU A 75 12.147 -7.760 0.810 1.00 0.00 C ATOM 1084 O LEU A 75 12.127 -7.043 1.808 1.00 0.00 O ATOM 1085 CB LEU A 75 9.771 -7.059 0.473 1.00 0.00 C ATOM 1086 CG LEU A 75 9.521 -5.788 -0.316 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.651 -4.858 0.499 1.00 0.00 C ATOM 1088 CD2 LEU A 75 10.826 -5.115 -0.715 1.00 0.00 C ATOM 0 H LEU A 75 9.552 -9.470 0.471 1.00 0.00 H new ATOM 0 HA LEU A 75 11.136 -7.686 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.849 -7.640 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.995 -6.786 1.504 1.00 0.00 H new ATOM 0 HG LEU A 75 9.002 -6.042 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.469 -3.943 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.701 -5.346 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.155 -4.614 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.610 -4.208 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.392 -4.860 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.412 -5.795 -1.333 1.00 0.00 H new ATOM 1100 N ARG A 76 13.225 -8.438 0.435 1.00 0.00 N ATOM 1101 CA ARG A 76 14.471 -8.373 1.186 1.00 0.00 C ATOM 1102 C ARG A 76 14.955 -6.934 1.333 1.00 0.00 C ATOM 1103 O ARG A 76 14.572 -6.056 0.562 1.00 0.00 O ATOM 1104 CB ARG A 76 15.540 -9.227 0.501 1.00 0.00 C ATOM 1105 CG ARG A 76 15.123 -10.678 0.302 1.00 0.00 C ATOM 1106 CD ARG A 76 15.566 -11.551 1.464 1.00 0.00 C ATOM 1107 NE ARG A 76 17.021 -11.588 1.599 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.812 -12.338 0.838 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.290 -13.107 -0.108 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.125 -12.318 1.022 1.00 0.00 N ATOM 0 H ARG A 76 13.260 -9.041 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 76 14.286 -8.766 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.777 -8.789 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.453 -9.198 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.040 -10.735 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.554 -11.058 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.126 -11.175 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.190 -12.564 1.320 1.00 0.00 H new ATOM 0 HE ARG A 76 17.453 -11.006 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.280 -13.124 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.898 -13.682 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.529 -11.727 1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.731 -12.894 0.437 1.00 0.00 H new ATOM 1124 N ARG A 77 15.796 -6.702 2.340 1.00 0.00 N ATOM 1125 CA ARG A 77 16.329 -5.370 2.609 1.00 0.00 C ATOM 1126 C ARG A 77 16.834 -4.706 1.332 1.00 0.00 C ATOM 1127 O ARG A 77 17.082 -5.374 0.328 1.00 0.00 O ATOM 1128 CB ARG A 77 17.462 -5.453 3.633 1.00 0.00 C ATOM 1129 CG ARG A 77 17.618 -4.195 4.473 1.00 0.00 C ATOM 1130 CD ARG A 77 18.195 -4.507 5.844 1.00 0.00 C ATOM 1131 NE ARG A 77 19.586 -4.079 5.962 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.270 -4.105 7.100 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.694 -4.539 8.214 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.533 -3.699 7.127 1.00 0.00 N ATOM 0 H ARG A 77 16.123 -7.422 2.984 1.00 0.00 H new ATOM 0 HA ARG A 77 15.520 -4.761 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.282 -6.301 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.398 -5.649 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.268 -3.489 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.648 -3.710 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.597 -4.013 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.128 -5.579 6.030 1.00 0.00 H new ATOM 0 HE ARG A 77 20.059 -3.741 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.724 -4.854 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.221 -4.558 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.980 -3.366 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.057 -3.720 8.002 1.00 0.00 H new ATOM 1148 N GLY A 78 16.981 -3.386 1.378 1.00 0.00 N ATOM 1149 CA GLY A 78 17.452 -2.650 0.220 1.00 0.00 C ATOM 1150 C GLY A 78 16.457 -2.672 -0.923 1.00 0.00 C ATOM 1151 O GLY A 78 16.843 -2.747 -2.090 1.00 0.00 O ATOM 0 H GLY A 78 16.782 -2.813 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.650 -1.617 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.398 -3.075 -0.117 1.00 0.00 H new ATOM 1155 N ASP A 79 15.171 -2.606 -0.589 1.00 0.00 N ATOM 1156 CA ASP A 79 14.120 -2.622 -1.599 1.00 0.00 C ATOM 1157 C ASP A 79 13.140 -1.471 -1.392 1.00 0.00 C ATOM 1158 O ASP A 79 12.651 -1.249 -0.285 1.00 0.00 O ATOM 1159 CB ASP A 79 13.371 -3.957 -1.561 1.00 0.00 C ATOM 1160 CG ASP A 79 14.224 -5.114 -2.042 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.386 -4.873 -2.430 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.731 -6.261 -2.030 1.00 0.00 O ATOM 0 H ASP A 79 14.833 -2.541 0.371 1.00 0.00 H new ATOM 0 HA ASP A 79 14.590 -2.500 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.038 -4.154 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.477 -3.886 -2.181 1.00 0.00 H new ATOM 1167 N THR A 80 12.856 -0.744 -2.469 1.00 0.00 N ATOM 1168 CA THR A 80 11.922 0.375 -2.414 1.00 0.00 C ATOM 1169 C THR A 80 10.558 -0.039 -2.956 1.00 0.00 C ATOM 1170 O THR A 80 10.471 -0.751 -3.957 1.00 0.00 O ATOM 1171 CB THR A 80 12.466 1.560 -3.214 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.661 2.051 -2.630 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.493 2.714 -3.315 1.00 0.00 C ATOM 0 H THR A 80 13.260 -0.910 -3.391 1.00 0.00 H new ATOM 0 HA THR A 80 11.807 0.675 -1.373 1.00 0.00 H new ATOM 0 HB THR A 80 12.646 1.173 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.995 2.807 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.943 3.520 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.580 2.378 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.254 3.077 -2.315 1.00 0.00 H new ATOM 1181 N LEU A 81 9.496 0.405 -2.292 1.00 0.00 N ATOM 1182 CA LEU A 81 8.147 0.044 -2.689 1.00 0.00 C ATOM 1183 C LEU A 81 7.246 1.276 -2.684 1.00 0.00 C ATOM 1184 O LEU A 81 7.587 2.297 -2.094 1.00 0.00 O ATOM 1185 CB LEU A 81 7.593 -1.042 -1.752 1.00 0.00 C ATOM 1186 CG LEU A 81 8.248 -1.083 -0.363 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.399 -1.856 0.635 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.645 -1.676 -0.446 1.00 0.00 C ATOM 0 H LEU A 81 9.547 1.016 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 81 8.171 -0.356 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.521 -0.885 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.721 -2.014 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 81 8.325 -0.056 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.895 -1.863 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.424 -1.379 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.270 -2.880 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.091 -1.696 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.587 -2.691 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.260 -1.066 -1.108 1.00 0.00 H new ATOM 1200 N THR A 82 6.135 1.200 -3.405 1.00 0.00 N ATOM 1201 CA THR A 82 5.206 2.324 -3.507 1.00 0.00 C ATOM 1202 C THR A 82 3.802 1.904 -3.084 1.00 0.00 C ATOM 1203 O THR A 82 3.296 0.887 -3.546 1.00 0.00 O ATOM 1204 CB THR A 82 5.183 2.826 -4.951 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.231 1.740 -5.859 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.338 3.739 -5.271 1.00 0.00 C ATOM 0 H THR A 82 5.853 0.372 -3.929 1.00 0.00 H new ATOM 0 HA THR A 82 5.540 3.121 -2.842 1.00 0.00 H new ATOM 0 HB THR A 82 4.252 3.384 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.214 2.081 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.269 4.063 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.306 4.610 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.276 3.205 -5.120 1.00 0.00 H new ATOM 1214 N ILE A 83 3.166 2.684 -2.209 1.00 0.00 N ATOM 1215 CA ILE A 83 1.823 2.326 -1.735 1.00 0.00 C ATOM 1216 C ILE A 83 0.774 3.419 -2.048 1.00 0.00 C ATOM 1217 O ILE A 83 0.622 3.790 -3.212 1.00 0.00 O ATOM 1218 CB ILE A 83 1.844 1.910 -0.241 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.495 1.362 0.220 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.299 3.047 0.646 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.597 -0.031 0.783 1.00 0.00 C ATOM 0 H ILE A 83 3.545 3.548 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 83 1.502 1.450 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 83 2.571 1.103 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.077 2.026 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.199 1.360 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.301 2.719 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.306 3.352 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.619 3.891 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.391 -0.371 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.988 -0.704 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.268 -0.028 1.642 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.036 3.854 -1.067 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.037 4.864 -1.345 1.00 0.00 C ATOM 1235 C GLY A 84 -0.387 6.195 -1.616 1.00 0.00 C ATOM 1236 O GLY A 84 -0.853 6.983 -2.439 1.00 0.00 O ATOM 0 H GLY A 84 -0.010 3.524 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.635 4.564 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.718 4.952 -0.498 1.00 0.00 H new ATOM 1240 N GLU A 85 0.717 6.420 -0.921 1.00 0.00 N ATOM 1241 CA GLU A 85 1.562 7.561 -1.162 1.00 0.00 C ATOM 1242 C GLU A 85 2.756 7.098 -1.983 1.00 0.00 C ATOM 1243 O GLU A 85 3.834 7.692 -1.933 1.00 0.00 O ATOM 1244 CB GLU A 85 2.021 8.182 0.158 1.00 0.00 C ATOM 1245 CG GLU A 85 0.888 8.794 0.966 1.00 0.00 C ATOM 1246 CD GLU A 85 0.238 7.802 1.910 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.001 6.650 1.492 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.031 8.177 3.072 1.00 0.00 O ATOM 0 H GLU A 85 1.046 5.810 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 85 1.009 8.327 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.513 7.417 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.765 8.951 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.272 9.637 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.134 9.189 0.285 1.00 0.00 H new ATOM 1255 N GLU A 86 2.546 6.000 -2.727 1.00 0.00 N ATOM 1256 CA GLU A 86 3.564 5.413 -3.578 1.00 0.00 C ATOM 1257 C GLU A 86 4.942 5.477 -2.937 1.00 0.00 C ATOM 1258 O GLU A 86 5.938 5.719 -3.615 1.00 0.00 O ATOM 1259 CB GLU A 86 3.562 6.104 -4.938 1.00 0.00 C ATOM 1260 CG GLU A 86 3.624 7.613 -4.845 1.00 0.00 C ATOM 1261 CD GLU A 86 3.462 8.288 -6.192 1.00 0.00 C ATOM 1262 OE1 GLU A 86 4.398 8.202 -7.015 1.00 0.00 O ATOM 1263 OE2 GLU A 86 2.400 8.902 -6.425 1.00 0.00 O ATOM 0 H GLU A 86 1.657 5.501 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 86 3.326 4.358 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.412 5.748 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.662 5.817 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.843 7.964 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.578 7.907 -4.408 1.00 0.00 H new ATOM 1270 N ASN A 87 4.994 5.359 -1.615 1.00 0.00 N ATOM 1271 CA ASN A 87 6.277 5.361 -0.942 1.00 0.00 C ATOM 1272 C ASN A 87 6.333 4.429 0.262 1.00 0.00 C ATOM 1273 O ASN A 87 5.846 4.762 1.342 1.00 0.00 O ATOM 1274 CB ASN A 87 6.652 6.775 -0.504 1.00 0.00 C ATOM 1275 CG ASN A 87 7.824 7.332 -1.288 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.803 7.803 -0.710 1.00 0.00 O ATOM 1277 ND2 ASN A 87 7.730 7.281 -2.612 1.00 0.00 N ATOM 0 H ASN A 87 4.182 5.263 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 87 6.996 4.988 -1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.791 7.431 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.898 6.770 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.488 7.641 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.900 6.882 -3.049 1.00 0.00 H new ATOM 1284 N PHE A 88 7.076 3.346 0.111 1.00 0.00 N ATOM 1285 CA PHE A 88 7.382 2.454 1.204 1.00 0.00 C ATOM 1286 C PHE A 88 8.815 1.998 1.079 1.00 0.00 C ATOM 1287 O PHE A 88 9.344 1.860 -0.024 1.00 0.00 O ATOM 1288 CB PHE A 88 6.472 1.227 1.239 1.00 0.00 C ATOM 1289 CG PHE A 88 5.346 1.352 2.202 1.00 0.00 C ATOM 1290 CD1 PHE A 88 5.555 1.920 3.432 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.098 0.869 1.891 1.00 0.00 C ATOM 1292 CE1 PHE A 88 4.521 2.048 4.340 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.054 0.984 2.789 1.00 0.00 C ATOM 1294 CZ PHE A 88 3.268 1.570 4.019 1.00 0.00 C ATOM 0 H PHE A 88 7.484 3.064 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 88 7.221 3.006 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.069 1.055 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.066 0.351 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.541 2.272 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.931 0.395 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.693 2.520 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.073 0.616 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.458 1.654 4.728 1.00 0.00 H new ATOM 1304 N TRP A 89 9.426 1.731 2.203 1.00 0.00 N ATOM 1305 CA TRP A 89 10.788 1.230 2.219 1.00 0.00 C ATOM 1306 C TRP A 89 10.892 0.052 3.161 1.00 0.00 C ATOM 1307 O TRP A 89 10.251 0.034 4.213 1.00 0.00 O ATOM 1308 CB TRP A 89 11.780 2.323 2.627 1.00 0.00 C ATOM 1309 CG TRP A 89 11.676 3.567 1.800 1.00 0.00 C ATOM 1310 CD1 TRP A 89 11.456 3.641 0.455 1.00 0.00 C ATOM 1311 CD2 TRP A 89 11.802 4.916 2.262 1.00 0.00 C ATOM 1312 NE1 TRP A 89 11.431 4.954 0.052 1.00 0.00 N ATOM 1313 CE2 TRP A 89 11.642 5.757 1.143 1.00 0.00 C ATOM 1314 CE3 TRP A 89 12.032 5.496 3.512 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 11.705 7.144 1.240 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 12.094 6.873 3.606 1.00 0.00 C ATOM 1317 CH2 TRP A 89 11.934 7.684 2.476 1.00 0.00 C ATOM 0 H TRP A 89 9.007 1.850 3.125 1.00 0.00 H new ATOM 0 HA TRP A 89 11.043 0.908 1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.616 2.578 3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.793 1.929 2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.321 2.791 -0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 89 11.280 5.279 -0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.159 4.879 4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 11.578 7.772 0.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 12.269 7.332 4.568 1.00 0.00 H new ATOM 0 HH2 TRP A 89 11.993 8.757 2.582 1.00 0.00 H new ATOM 1328 N VAL A 90 11.691 -0.938 2.794 1.00 0.00 N ATOM 1329 CA VAL A 90 11.830 -2.100 3.642 1.00 0.00 C ATOM 1330 C VAL A 90 12.888 -1.836 4.692 1.00 0.00 C ATOM 1331 O VAL A 90 14.089 -1.835 4.418 1.00 0.00 O ATOM 1332 CB VAL A 90 12.206 -3.366 2.846 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.417 -4.544 3.786 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.136 -3.694 1.821 1.00 0.00 C ATOM 0 H VAL A 90 12.239 -0.958 1.934 1.00 0.00 H new ATOM 0 HA VAL A 90 10.862 -2.280 4.110 1.00 0.00 H new ATOM 0 HB VAL A 90 13.139 -3.171 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.682 -5.429 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.222 -4.313 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.499 -4.735 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.422 -4.591 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.187 -3.867 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.030 -2.861 1.126 1.00 0.00 H new ATOM 1344 N ASP A 91 12.411 -1.636 5.903 1.00 0.00 N ATOM 1345 CA ASP A 91 13.258 -1.397 7.048 1.00 0.00 C ATOM 1346 C ASP A 91 13.680 -2.719 7.693 1.00 0.00 C ATOM 1347 O ASP A 91 14.447 -2.736 8.655 1.00 0.00 O ATOM 1348 CB ASP A 91 12.489 -0.540 8.044 1.00 0.00 C ATOM 1349 CG ASP A 91 13.399 0.153 9.038 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.184 -0.546 9.713 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.327 1.395 9.142 1.00 0.00 O ATOM 0 H ASP A 91 11.414 -1.635 6.120 1.00 0.00 H new ATOM 0 HA ASP A 91 14.164 -0.879 6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.910 0.209 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.777 -1.165 8.583 1.00 0.00 H new ATOM 1356 N ARG A 92 13.174 -3.823 7.134 1.00 0.00 N ATOM 1357 CA ARG A 92 13.457 -5.172 7.617 1.00 0.00 C ATOM 1358 C ARG A 92 14.890 -5.332 8.107 1.00 0.00 C ATOM 1359 O ARG A 92 15.770 -4.532 7.789 1.00 0.00 O ATOM 1360 CB ARG A 92 13.182 -6.182 6.502 1.00 0.00 C ATOM 1361 CG ARG A 92 11.704 -6.453 6.296 1.00 0.00 C ATOM 1362 CD ARG A 92 11.376 -7.921 6.522 1.00 0.00 C ATOM 1363 NE ARG A 92 11.727 -8.355 7.871 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.697 -9.621 8.270 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.333 -10.576 7.425 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.031 -9.934 9.515 1.00 0.00 N ATOM 0 H ARG A 92 12.551 -3.802 6.326 1.00 0.00 H new ATOM 0 HA ARG A 92 12.802 -5.355 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.611 -5.812 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.688 -7.119 6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.120 -5.838 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.417 -6.165 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.312 -8.086 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.912 -8.529 5.794 1.00 0.00 H new ATOM 0 HE ARG A 92 12.012 -7.645 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.076 -10.338 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.310 -11.548 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.311 -9.202 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.007 -10.907 9.820 1.00 0.00 H new ATOM 1499 N LEU A 103 8.042 -7.626 8.632 1.00 0.00 N ATOM 1500 CA LEU A 103 8.525 -6.614 7.721 1.00 0.00 C ATOM 1501 C LEU A 103 8.271 -5.227 8.296 1.00 0.00 C ATOM 1502 O LEU A 103 7.141 -4.839 8.590 1.00 0.00 O ATOM 1503 CB LEU A 103 7.919 -6.807 6.323 1.00 0.00 C ATOM 1504 CG LEU A 103 6.554 -6.172 6.043 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.636 -5.273 4.816 1.00 0.00 C ATOM 1506 CD2 LEU A 103 5.499 -7.251 5.844 1.00 0.00 C ATOM 0 HA LEU A 103 9.604 -6.716 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.627 -6.414 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.834 -7.878 6.140 1.00 0.00 H new ATOM 0 HG LEU A 103 6.267 -5.564 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.660 -4.827 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.368 -4.484 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.939 -5.864 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.534 -6.784 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.778 -7.881 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.429 -7.862 6.744 1.00 0.00 H new ATOM 1518 N TRP A 104 9.359 -4.542 8.582 1.00 0.00 N ATOM 1519 CA TRP A 104 9.309 -3.230 9.187 1.00 0.00 C ATOM 1520 C TRP A 104 9.491 -2.173 8.105 1.00 0.00 C ATOM 1521 O TRP A 104 10.425 -2.246 7.311 1.00 0.00 O ATOM 1522 CB TRP A 104 10.384 -3.176 10.277 1.00 0.00 C ATOM 1523 CG TRP A 104 10.814 -1.804 10.700 1.00 0.00 C ATOM 1524 CD1 TRP A 104 10.161 -0.624 10.496 1.00 0.00 C ATOM 1525 CD2 TRP A 104 12.023 -1.479 11.397 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.891 0.414 11.028 1.00 0.00 N ATOM 1527 CE2 TRP A 104 12.032 -0.086 11.593 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.096 -2.234 11.880 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 13.077 0.567 12.241 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.130 -1.584 12.528 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.114 -0.196 12.703 1.00 0.00 C ATOM 0 H TRP A 104 10.304 -4.881 8.401 1.00 0.00 H new ATOM 0 HA TRP A 104 8.346 -3.029 9.656 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.013 -3.707 11.154 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.261 -3.718 9.924 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.212 -0.520 9.992 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.624 1.398 11.005 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.117 -3.306 11.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.069 1.639 12.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 14.964 -2.157 12.905 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.937 0.283 13.213 1.00 0.00 H new ATOM 1542 N LEU A 105 8.512 -1.281 7.983 1.00 0.00 N ATOM 1543 CA LEU A 105 8.478 -0.327 6.881 1.00 0.00 C ATOM 1544 C LEU A 105 9.199 0.986 7.167 1.00 0.00 C ATOM 1545 O LEU A 105 9.273 1.447 8.305 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 0.006 6.536 1.00 0.00 C ATOM 1547 CG LEU A 105 6.135 -1.195 6.311 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.521 -1.637 7.629 1.00 0.00 C ATOM 1549 CD2 LEU A 105 5.072 -0.846 5.298 1.00 0.00 C ATOM 0 H LEU A 105 7.732 -1.200 8.635 1.00 0.00 H new ATOM 0 HA LEU A 105 8.998 -0.816 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.616 0.610 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.027 0.622 5.637 1.00 0.00 H new ATOM 0 HG LEU A 105 6.721 -2.027 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.876 -2.499 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.313 -1.909 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.933 -0.821 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.426 -1.709 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.477 -0.011 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.545 -0.566 4.357 1.00 0.00 H new ATOM 1561 N GLY A 106 9.598 1.638 6.078 1.00 0.00 N ATOM 1562 CA GLY A 106 10.175 2.969 6.129 1.00 0.00 C ATOM 1563 C GLY A 106 9.538 3.852 5.066 1.00 0.00 C ATOM 1564 O GLY A 106 9.710 3.608 3.873 1.00 0.00 O ATOM 0 H GLY A 106 9.528 1.253 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.020 3.404 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.252 2.914 5.971 1.00 0.00 H new ATOM 1568 N ARG A 107 8.740 4.834 5.482 1.00 0.00 N ATOM 1569 CA ARG A 107 7.996 5.657 4.528 1.00 0.00 C ATOM 1570 C ARG A 107 8.670 6.993 4.244 1.00 0.00 C ATOM 1571 O ARG A 107 9.432 7.515 5.057 1.00 0.00 O ATOM 1572 CB ARG A 107 6.575 5.909 5.039 1.00 0.00 C ATOM 1573 CG ARG A 107 5.652 4.721 4.845 1.00 0.00 C ATOM 1574 CD ARG A 107 4.646 4.956 3.721 1.00 0.00 C ATOM 1575 NE ARG A 107 3.295 5.155 4.236 1.00 0.00 N ATOM 1576 CZ ARG A 107 2.252 5.457 3.471 1.00 0.00 C ATOM 1577 NH1 ARG A 107 2.407 5.595 2.162 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.054 5.619 4.015 1.00 0.00 N ATOM 0 H ARG A 107 8.592 5.078 6.461 1.00 0.00 H new ATOM 0 HA ARG A 107 7.969 5.097 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.616 6.160 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.158 6.773 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.245 3.834 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.118 4.521 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.946 5.829 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.654 4.104 3.042 1.00 0.00 H new ATOM 0 HE ARG A 107 3.143 5.057 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.328 5.469 1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.606 5.827 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.932 5.512 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.254 5.851 3.427 1.00 0.00 H new ATOM 1592 N GLY A 108 8.350 7.543 3.075 1.00 0.00 N ATOM 1593 CA GLY A 108 8.868 8.834 2.670 1.00 0.00 C ATOM 1594 C GLY A 108 7.850 9.600 1.846 1.00 0.00 C ATOM 1595 O GLY A 108 8.183 10.189 0.818 1.00 0.00 O ATOM 0 H GLY A 108 7.730 7.106 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.136 9.414 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.780 8.697 2.090 1.00 0.00 H new