USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 SER OG : rot -178:sc= 0.159 USER MOD Set 1.2: A 62 ASN : amide:sc= -13! C(o=-13!,f=-23!) USER MOD Single : A 29 THR OG1 : rot -15:sc= 0.725 USER MOD Single : A 31 CYS SG : rot 180:sc= -2.72! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= -3.03! (180deg=-4.22!) USER MOD Single : A 60 THR OG1 : rot 42:sc= 0.793 USER MOD Single : A 75 THR OG1 : rot -5:sc= -0.221 USER MOD Single : A 77 GLN : amide:sc= -7.6! C(o=-7.6!,f=-6.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot -129:sc= -0.266 USER MOD Single : A 90 MET CE :methyl 143:sc= -7.5! (180deg=-8.82!) USER MOD Single : A 91 GLN : amide:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 94 THR OG1 : rot -165:sc= -2.29! USER MOD Single : A 100 ASN : amide:sc= -1.54 K(o=-1.5,f=-3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -3.745 -9.039 -13.596 1.00 0.00 N ATOM 350 CA THR A 29 -3.763 -7.570 -13.832 1.00 0.00 C ATOM 351 C THR A 29 -2.771 -6.898 -12.886 1.00 0.00 C ATOM 352 O THR A 29 -2.711 -7.205 -11.712 1.00 0.00 O ATOM 353 CB THR A 29 -5.169 -7.023 -13.575 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.817 -7.825 -12.599 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.972 -7.043 -14.876 1.00 0.00 C ATOM 0 HA THR A 29 -3.483 -7.363 -14.865 1.00 0.00 H new ATOM 0 HB THR A 29 -5.100 -5.998 -13.212 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.332 -8.670 -12.496 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.973 -6.653 -14.692 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.473 -6.424 -15.621 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.043 -8.067 -15.244 1.00 0.00 H new ATOM 363 N VAL A 30 -1.990 -5.985 -13.388 1.00 0.00 N ATOM 364 CA VAL A 30 -1.000 -5.296 -12.516 1.00 0.00 C ATOM 365 C VAL A 30 -1.464 -3.864 -12.254 1.00 0.00 C ATOM 366 O VAL A 30 -2.168 -3.269 -13.045 1.00 0.00 O ATOM 367 CB VAL A 30 0.370 -5.276 -13.211 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.239 -4.146 -12.642 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.075 -6.612 -12.983 1.00 0.00 C ATOM 0 H VAL A 30 -1.994 -5.686 -14.363 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.916 -5.829 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 30 0.221 -5.110 -14.278 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.207 -4.144 -13.143 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.744 -3.189 -12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.385 -4.302 -11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.047 -6.599 -13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.212 -6.773 -11.914 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.469 -7.418 -13.397 1.00 0.00 H new ATOM 379 N CYS A 31 -1.057 -3.307 -11.151 1.00 0.00 N ATOM 380 CA CYS A 31 -1.453 -1.911 -10.830 1.00 0.00 C ATOM 381 C CYS A 31 -0.273 -1.196 -10.169 1.00 0.00 C ATOM 382 O CYS A 31 -0.153 -1.160 -8.960 1.00 0.00 O ATOM 383 CB CYS A 31 -2.650 -1.920 -9.876 1.00 0.00 C ATOM 384 SG CYS A 31 -3.801 -3.231 -10.359 1.00 0.00 S ATOM 0 H CYS A 31 -0.465 -3.760 -10.455 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.732 -1.390 -11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.311 -2.079 -8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.153 -0.953 -9.899 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.816 -3.238 -9.547 1.00 0.00 H new ATOM 390 N THR A 32 0.603 -0.626 -10.953 1.00 0.00 N ATOM 391 CA THR A 32 1.774 0.086 -10.372 1.00 0.00 C ATOM 392 C THR A 32 1.282 1.350 -9.661 1.00 0.00 C ATOM 393 O THR A 32 0.571 2.154 -10.230 1.00 0.00 O ATOM 394 CB THR A 32 2.741 0.460 -11.495 1.00 0.00 C ATOM 395 OG1 THR A 32 2.671 -0.524 -12.519 1.00 0.00 O ATOM 396 CG2 THR A 32 4.167 0.525 -10.946 1.00 0.00 C ATOM 0 H THR A 32 0.556 -0.624 -11.972 1.00 0.00 H new ATOM 0 HA THR A 32 2.289 -0.555 -9.656 1.00 0.00 H new ATOM 0 HB THR A 32 2.468 1.434 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.288 -0.288 -13.243 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.854 0.792 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.220 1.277 -10.158 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.445 -0.447 -10.539 1.00 0.00 H new ATOM 404 N VAL A 33 1.624 1.517 -8.410 1.00 0.00 N ATOM 405 CA VAL A 33 1.135 2.715 -7.664 1.00 0.00 C ATOM 406 C VAL A 33 2.220 3.287 -6.743 1.00 0.00 C ATOM 407 O VAL A 33 3.135 2.602 -6.341 1.00 0.00 O ATOM 408 CB VAL A 33 -0.052 2.316 -6.781 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.332 2.915 -7.348 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.196 0.790 -6.709 1.00 0.00 C ATOM 0 H VAL A 33 2.216 0.881 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 33 0.852 3.466 -8.402 1.00 0.00 H new ATOM 0 HB VAL A 33 0.126 2.696 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.176 2.631 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.246 4.001 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.491 2.542 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.046 0.534 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.357 0.392 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.712 0.358 -6.289 1.00 0.00 H new ATOM 420 N THR A 34 2.083 4.536 -6.367 1.00 0.00 N ATOM 421 CA THR A 34 3.054 5.156 -5.428 1.00 0.00 C ATOM 422 C THR A 34 2.350 5.388 -4.091 1.00 0.00 C ATOM 423 O THR A 34 1.251 5.906 -4.048 1.00 0.00 O ATOM 424 CB THR A 34 3.541 6.503 -5.969 1.00 0.00 C ATOM 425 OG1 THR A 34 2.550 7.067 -6.815 1.00 0.00 O ATOM 426 CG2 THR A 34 4.858 6.327 -6.726 1.00 0.00 C ATOM 0 H THR A 34 1.332 5.153 -6.676 1.00 0.00 H new ATOM 0 HA THR A 34 3.912 4.494 -5.309 1.00 0.00 H new ATOM 0 HB THR A 34 3.716 7.180 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.865 7.930 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.192 7.293 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.613 5.921 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.709 5.642 -7.561 1.00 0.00 H new ATOM 434 N LEU A 35 2.952 5.008 -3.000 1.00 0.00 N ATOM 435 CA LEU A 35 2.267 5.220 -1.682 1.00 0.00 C ATOM 436 C LEU A 35 3.099 6.103 -0.771 1.00 0.00 C ATOM 437 O LEU A 35 3.607 5.647 0.227 1.00 0.00 O ATOM 438 CB LEU A 35 2.056 3.895 -0.993 1.00 0.00 C ATOM 439 CG LEU A 35 0.694 3.328 -1.382 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.494 1.977 -0.699 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.403 4.296 -0.932 1.00 0.00 C ATOM 0 H LEU A 35 3.871 4.568 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 35 1.311 5.704 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.845 3.198 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.113 4.022 0.088 1.00 0.00 H new ATOM 0 HG LEU A 35 0.645 3.199 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.479 1.570 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.278 1.290 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.539 2.106 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.378 3.895 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.356 4.422 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.258 5.261 -1.417 1.00 0.00 H new ATOM 453 N GLU A 36 3.212 7.358 -1.119 1.00 0.00 N ATOM 454 CA GLU A 36 4.012 8.347 -0.315 1.00 0.00 C ATOM 455 C GLU A 36 4.418 7.757 1.042 1.00 0.00 C ATOM 456 O GLU A 36 3.584 7.319 1.810 1.00 0.00 O ATOM 457 CB GLU A 36 3.173 9.607 -0.089 1.00 0.00 C ATOM 458 CG GLU A 36 3.019 10.358 -1.413 1.00 0.00 C ATOM 459 CD GLU A 36 2.732 11.836 -1.133 1.00 0.00 C ATOM 460 OE1 GLU A 36 2.154 12.121 -0.096 1.00 0.00 O ATOM 461 OE2 GLU A 36 3.095 12.656 -1.959 1.00 0.00 O ATOM 0 H GLU A 36 2.773 7.755 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 36 4.919 8.590 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.193 9.339 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.651 10.248 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.928 10.259 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.208 9.924 -1.997 1.00 0.00 H new ATOM 468 N LYS A 37 5.689 7.719 1.336 1.00 0.00 N ATOM 469 CA LYS A 37 6.128 7.125 2.630 1.00 0.00 C ATOM 470 C LYS A 37 5.835 8.090 3.779 1.00 0.00 C ATOM 471 O LYS A 37 6.632 8.943 4.117 1.00 0.00 O ATOM 472 CB LYS A 37 7.633 6.852 2.576 1.00 0.00 C ATOM 473 CG LYS A 37 7.920 5.752 1.553 1.00 0.00 C ATOM 474 CD LYS A 37 9.124 6.148 0.699 1.00 0.00 C ATOM 475 CE LYS A 37 10.288 5.201 0.995 1.00 0.00 C ATOM 476 NZ LYS A 37 11.158 5.090 -0.209 1.00 0.00 N ATOM 0 H LYS A 37 6.438 8.071 0.740 1.00 0.00 H new ATOM 0 HA LYS A 37 5.585 6.195 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.168 7.762 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.993 6.551 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.118 4.809 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.048 5.594 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.864 6.104 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.414 7.177 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.866 5.572 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.909 4.218 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.576 4.139 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.590 5.254 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.917 5.799 -0.156 1.00 0.00 H new ATOM 528 N GLY A 41 4.771 3.613 8.056 1.00 0.00 N ATOM 529 CA GLY A 41 5.108 2.533 7.081 1.00 0.00 C ATOM 530 C GLY A 41 4.148 2.581 5.890 1.00 0.00 C ATOM 531 O GLY A 41 3.369 1.674 5.673 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.135 2.652 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.047 1.560 7.569 1.00 0.00 H new ATOM 535 N LEU A 42 4.203 3.629 5.111 1.00 0.00 N ATOM 536 CA LEU A 42 3.300 3.743 3.918 1.00 0.00 C ATOM 537 C LEU A 42 1.902 3.240 4.252 1.00 0.00 C ATOM 538 O LEU A 42 1.149 2.851 3.382 1.00 0.00 O ATOM 539 CB LEU A 42 3.852 2.931 2.742 1.00 0.00 C ATOM 540 CG LEU A 42 5.277 2.482 3.044 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.769 1.569 1.926 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.186 3.706 3.131 1.00 0.00 C ATOM 0 H LEU A 42 4.836 4.417 5.247 1.00 0.00 H new ATOM 0 HA LEU A 42 3.250 4.796 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.219 2.063 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.836 3.533 1.834 1.00 0.00 H new ATOM 0 HG LEU A 42 5.295 1.943 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.788 1.247 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.120 0.696 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.751 2.110 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.206 3.387 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.167 4.242 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.835 4.364 3.926 1.00 0.00 H new ATOM 554 N GLY A 43 1.541 3.252 5.497 1.00 0.00 N ATOM 555 CA GLY A 43 0.188 2.782 5.875 1.00 0.00 C ATOM 556 C GLY A 43 0.022 1.304 5.519 1.00 0.00 C ATOM 557 O GLY A 43 -1.051 0.750 5.659 1.00 0.00 O ATOM 0 H GLY A 43 2.125 3.568 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.031 2.926 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.568 3.375 5.359 1.00 0.00 H new ATOM 561 N PHE A 44 1.058 0.642 5.064 1.00 0.00 N ATOM 562 CA PHE A 44 0.892 -0.786 4.727 1.00 0.00 C ATOM 563 C PHE A 44 2.050 -1.602 5.297 1.00 0.00 C ATOM 564 O PHE A 44 3.133 -1.108 5.546 1.00 0.00 O ATOM 565 CB PHE A 44 0.771 -0.965 3.200 1.00 0.00 C ATOM 566 CG PHE A 44 2.126 -1.078 2.529 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.950 -2.184 2.776 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.543 -0.091 1.624 1.00 0.00 C ATOM 569 CE1 PHE A 44 4.184 -2.299 2.136 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.778 -0.212 0.978 1.00 0.00 C ATOM 571 CZ PHE A 44 4.598 -1.315 1.236 1.00 0.00 C ATOM 0 H PHE A 44 1.990 1.028 4.917 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.029 -1.154 5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.185 -1.859 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.228 -0.119 2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.628 -2.951 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.911 0.762 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.819 -3.149 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.098 0.547 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.552 -1.406 0.739 1.00 0.00 H new ATOM 581 N SER A 45 1.799 -2.857 5.488 1.00 0.00 N ATOM 582 CA SER A 45 2.828 -3.796 6.034 1.00 0.00 C ATOM 583 C SER A 45 2.881 -5.010 5.111 1.00 0.00 C ATOM 584 O SER A 45 1.872 -5.420 4.565 1.00 0.00 O ATOM 585 CB SER A 45 2.429 -4.240 7.442 1.00 0.00 C ATOM 586 OG SER A 45 3.090 -5.458 7.754 1.00 0.00 O ATOM 0 H SER A 45 0.899 -3.293 5.285 1.00 0.00 H new ATOM 0 HA SER A 45 3.801 -3.308 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.696 -3.472 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.349 -4.373 7.502 1.00 0.00 H new ATOM 0 HG SER A 45 2.813 -5.762 8.644 1.00 0.00 H new ATOM 592 N LEU A 46 4.040 -5.567 4.895 1.00 0.00 N ATOM 593 CA LEU A 46 4.133 -6.718 3.949 1.00 0.00 C ATOM 594 C LEU A 46 4.231 -8.072 4.638 1.00 0.00 C ATOM 595 O LEU A 46 4.898 -8.233 5.642 1.00 0.00 O ATOM 596 CB LEU A 46 5.352 -6.534 3.059 1.00 0.00 C ATOM 597 CG LEU A 46 4.865 -6.132 1.680 1.00 0.00 C ATOM 598 CD1 LEU A 46 5.697 -4.958 1.171 1.00 0.00 C ATOM 599 CD2 LEU A 46 4.999 -7.323 0.736 1.00 0.00 C ATOM 0 H LEU A 46 4.919 -5.280 5.326 1.00 0.00 H new ATOM 0 HA LEU A 46 3.208 -6.721 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.012 -5.769 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.929 -7.457 3.006 1.00 0.00 H new ATOM 0 HG LEU A 46 3.819 -5.829 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.348 -4.668 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.592 -4.115 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.745 -5.252 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.650 -7.041 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.044 -7.628 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.398 -8.152 1.109 1.00 0.00 H new ATOM 611 N GLU A 47 3.601 -9.069 4.058 1.00 0.00 N ATOM 612 CA GLU A 47 3.694 -10.437 4.628 1.00 0.00 C ATOM 613 C GLU A 47 3.956 -11.421 3.503 1.00 0.00 C ATOM 614 O GLU A 47 3.404 -11.317 2.426 1.00 0.00 O ATOM 615 CB GLU A 47 2.417 -10.836 5.345 1.00 0.00 C ATOM 616 CG GLU A 47 2.545 -10.474 6.822 1.00 0.00 C ATOM 617 CD GLU A 47 3.241 -11.613 7.571 1.00 0.00 C ATOM 618 OE1 GLU A 47 3.770 -12.494 6.911 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.233 -11.584 8.790 1.00 0.00 O ATOM 0 H GLU A 47 3.030 -8.987 3.217 1.00 0.00 H new ATOM 0 HA GLU A 47 4.507 -10.448 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.562 -10.324 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.240 -11.906 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.114 -9.551 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.559 -10.293 7.249 1.00 0.00 H new ATOM 771 N LEU A 59 5.305 -12.529 -1.774 1.00 0.00 N ATOM 772 CA LEU A 59 5.241 -11.113 -1.299 1.00 0.00 C ATOM 773 C LEU A 59 3.790 -10.629 -1.255 1.00 0.00 C ATOM 774 O LEU A 59 3.095 -10.667 -2.251 1.00 0.00 O ATOM 775 CB LEU A 59 5.979 -10.221 -2.279 1.00 0.00 C ATOM 776 CG LEU A 59 7.466 -10.211 -1.978 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.169 -11.281 -2.818 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.022 -8.832 -2.332 1.00 0.00 C ATOM 0 HA LEU A 59 5.686 -11.067 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.811 -10.573 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.585 -9.206 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 59 7.636 -10.423 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.237 -11.271 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.758 -12.261 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.013 -11.073 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.091 -8.806 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.855 -8.633 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.517 -8.072 -1.736 1.00 0.00 H new ATOM 790 N THR A 60 3.313 -10.163 -0.129 1.00 0.00 N ATOM 791 CA THR A 60 1.897 -9.684 -0.109 1.00 0.00 C ATOM 792 C THR A 60 1.639 -8.644 1.007 1.00 0.00 C ATOM 793 O THR A 60 2.322 -8.641 2.012 1.00 0.00 O ATOM 794 CB THR A 60 1.010 -10.888 0.094 1.00 0.00 C ATOM 795 OG1 THR A 60 1.692 -11.836 0.903 1.00 0.00 O ATOM 796 CG2 THR A 60 0.724 -11.465 -1.280 1.00 0.00 C ATOM 0 H THR A 60 3.823 -10.094 0.752 1.00 0.00 H new ATOM 0 HA THR A 60 1.681 -9.184 -1.053 1.00 0.00 H new ATOM 0 HB THR A 60 0.078 -10.623 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.156 -11.372 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.083 -12.341 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.222 -10.716 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.661 -11.753 -1.756 1.00 0.00 H new ATOM 804 N ILE A 61 0.630 -7.783 0.877 1.00 0.00 N ATOM 805 CA ILE A 61 0.353 -6.820 1.979 1.00 0.00 C ATOM 806 C ILE A 61 -0.654 -7.445 2.935 1.00 0.00 C ATOM 807 O ILE A 61 -1.661 -7.991 2.533 1.00 0.00 O ATOM 808 CB ILE A 61 -0.233 -5.517 1.463 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.762 -4.789 0.572 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.510 -4.622 2.658 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.097 -3.522 0.020 1.00 0.00 C ATOM 0 H ILE A 61 0.010 -7.719 0.069 1.00 0.00 H new ATOM 0 HA ILE A 61 1.299 -6.601 2.475 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.136 -5.738 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.656 -4.530 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.079 -5.436 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.932 -3.677 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.217 -5.115 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.420 -4.431 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.801 -2.991 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.785 -3.797 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.199 -2.876 0.847 1.00 0.00 H new ATOM 823 N ASN A 62 -0.380 -7.376 4.198 1.00 0.00 N ATOM 824 CA ASN A 62 -1.313 -7.976 5.200 1.00 0.00 C ATOM 825 C ASN A 62 -2.008 -6.907 6.040 1.00 0.00 C ATOM 826 O ASN A 62 -3.218 -6.877 6.145 1.00 0.00 O ATOM 827 CB ASN A 62 -0.538 -8.882 6.149 1.00 0.00 C ATOM 828 CG ASN A 62 0.848 -8.289 6.393 1.00 0.00 C ATOM 829 OD1 ASN A 62 1.689 -8.294 5.516 1.00 0.00 O ATOM 830 ND2 ASN A 62 1.125 -7.771 7.559 1.00 0.00 N ATOM 0 H ASN A 62 0.450 -6.931 4.590 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.063 -8.537 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.074 -8.983 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.449 -9.882 5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.047 -7.371 7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.419 -7.766 8.296 1.00 0.00 H new ATOM 837 N ARG A 63 -1.258 -6.056 6.674 1.00 0.00 N ATOM 838 CA ARG A 63 -1.890 -5.024 7.544 1.00 0.00 C ATOM 839 C ARG A 63 -1.890 -3.665 6.853 1.00 0.00 C ATOM 840 O ARG A 63 -0.964 -2.890 6.985 1.00 0.00 O ATOM 841 CB ARG A 63 -1.127 -4.921 8.870 1.00 0.00 C ATOM 842 CG ARG A 63 -2.021 -5.412 10.012 1.00 0.00 C ATOM 843 CD ARG A 63 -1.192 -5.555 11.291 1.00 0.00 C ATOM 844 NE ARG A 63 -1.777 -6.626 12.145 1.00 0.00 N ATOM 845 CZ ARG A 63 -2.746 -6.345 12.974 1.00 0.00 C ATOM 846 NH1 ARG A 63 -2.472 -5.946 14.185 1.00 0.00 N ATOM 847 NH2 ARG A 63 -3.988 -6.462 12.593 1.00 0.00 N ATOM 0 H ARG A 63 -0.239 -6.027 6.630 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.921 -5.322 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.216 -5.517 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.824 -3.889 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.839 -4.710 10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.470 -6.370 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.159 -5.797 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.176 -4.610 11.834 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.420 -7.580 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.501 -5.854 14.484 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.228 -5.726 14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.204 -6.774 11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.743 -6.242 13.242 1.00 0.00 H new ATOM 861 N ILE A 64 -2.931 -3.362 6.131 1.00 0.00 N ATOM 862 CA ILE A 64 -2.995 -2.046 5.455 1.00 0.00 C ATOM 863 C ILE A 64 -3.776 -1.076 6.325 1.00 0.00 C ATOM 864 O ILE A 64 -4.728 -1.438 6.989 1.00 0.00 O ATOM 865 CB ILE A 64 -3.669 -2.185 4.096 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.705 -2.934 3.176 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.985 -0.791 3.535 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.775 -2.391 1.747 1.00 0.00 C ATOM 0 H ILE A 64 -3.737 -3.970 5.982 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.984 -1.668 5.303 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.606 -2.735 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.687 -2.839 3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.948 -3.997 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.467 -0.891 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.652 -0.266 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.060 -0.225 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.079 -2.942 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.788 -2.510 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.508 -1.334 1.746 1.00 0.00 H new ATOM 880 N PHE A 65 -3.368 0.151 6.335 1.00 0.00 N ATOM 881 CA PHE A 65 -4.071 1.162 7.177 1.00 0.00 C ATOM 882 C PHE A 65 -4.885 2.100 6.285 1.00 0.00 C ATOM 883 O PHE A 65 -4.760 2.088 5.077 1.00 0.00 O ATOM 884 CB PHE A 65 -3.039 1.963 7.979 1.00 0.00 C ATOM 885 CG PHE A 65 -1.998 1.008 8.547 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.333 -0.336 8.785 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.696 1.458 8.824 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.373 -1.222 9.299 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.263 0.564 9.336 1.00 0.00 C ATOM 890 CZ PHE A 65 -0.079 -0.771 9.572 1.00 0.00 C ATOM 0 H PHE A 65 -2.577 0.507 5.798 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.747 0.656 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.560 2.705 7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.530 2.507 8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.332 -0.688 8.572 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.431 2.489 8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.635 -2.253 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.264 0.910 9.547 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.658 -1.455 9.966 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.811 4.095 -4.405 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.175 2.984 -3.641 1.00 0.00 C ATOM 1005 C GLU A 74 -5.813 2.645 -4.250 1.00 0.00 C ATOM 1006 O GLU A 74 -5.721 1.963 -5.252 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.077 1.748 -3.690 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.123 1.834 -2.576 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.069 3.005 -2.850 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.530 3.119 -3.974 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.315 3.768 -1.931 1.00 0.00 O ATOM 0 HA GLU A 74 -7.037 3.296 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.569 1.682 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.479 0.844 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.687 0.903 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.632 1.968 -1.612 1.00 0.00 H new ATOM 1018 N THR A 75 -4.755 3.108 -3.646 1.00 0.00 N ATOM 1019 CA THR A 75 -3.398 2.808 -4.181 1.00 0.00 C ATOM 1020 C THR A 75 -2.785 1.664 -3.371 1.00 0.00 C ATOM 1021 O THR A 75 -1.585 1.574 -3.199 1.00 0.00 O ATOM 1022 CB THR A 75 -2.516 4.064 -4.094 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.151 3.688 -3.961 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.931 4.911 -2.890 1.00 0.00 C ATOM 0 H THR A 75 -4.771 3.682 -2.803 1.00 0.00 H new ATOM 0 HA THR A 75 -3.468 2.508 -5.227 1.00 0.00 H new ATOM 0 HB THR A 75 -2.643 4.648 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.087 2.713 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.301 5.799 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.973 5.211 -2.998 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.815 4.327 -1.977 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.605 0.779 -2.881 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.083 -0.371 -2.091 1.00 0.00 C ATOM 1034 C VAL A 76 -4.104 -1.504 -2.125 1.00 0.00 C ATOM 1035 O VAL A 76 -5.267 -1.299 -2.413 1.00 0.00 O ATOM 1036 CB VAL A 76 -2.835 0.038 -0.632 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -1.416 -0.362 -0.231 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -2.997 1.552 -0.465 1.00 0.00 C ATOM 0 H VAL A 76 -4.619 0.802 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.139 -0.696 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.562 -0.468 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.236 -0.073 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.300 -1.441 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.699 0.143 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.818 1.825 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.280 2.067 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.009 1.843 -0.747 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.683 -2.699 -1.829 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.632 -3.847 -1.841 1.00 0.00 C ATOM 1050 C GLN A 77 -4.249 -4.818 -0.721 1.00 0.00 C ATOM 1051 O GLN A 77 -3.083 -4.980 -0.420 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.579 -4.574 -3.195 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.359 -4.114 -4.002 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.628 -2.733 -4.597 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -4.743 -2.425 -4.971 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.647 -1.880 -4.701 1.00 0.00 N ATOM 0 H GLN A 77 -2.722 -2.932 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.646 -3.477 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.532 -5.651 -3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.491 -4.375 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.478 -4.079 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.146 -4.828 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.711 -2.138 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.815 -0.955 -5.096 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.244 -5.427 -0.125 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.039 -6.379 0.978 1.00 0.00 C ATOM 1067 C PRO A 78 -4.596 -7.745 0.446 1.00 0.00 C ATOM 1068 O PRO A 78 -5.348 -8.443 -0.205 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.421 -6.471 1.632 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.444 -6.035 0.556 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.662 -5.225 -0.495 1.00 0.00 C ATOM 0 HA PRO A 78 -4.260 -6.063 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.623 -7.487 1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.480 -5.825 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.920 -6.903 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.237 -5.432 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.865 -5.581 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.934 -4.170 -0.469 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.387 -8.140 0.738 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.905 -9.483 0.263 1.00 0.00 C ATOM 1081 C GLY A 79 -2.480 -9.444 -1.215 1.00 0.00 C ATOM 1082 O GLY A 79 -2.199 -10.473 -1.798 1.00 0.00 O ATOM 0 H GLY A 79 -2.712 -7.601 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.063 -9.805 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.696 -10.221 0.395 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.420 -8.294 -1.843 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.997 -8.290 -3.285 1.00 0.00 C ATOM 1088 C ASP A 80 -0.558 -8.807 -3.376 1.00 0.00 C ATOM 1089 O ASP A 80 0.170 -8.779 -2.408 1.00 0.00 O ATOM 1090 CB ASP A 80 -2.071 -6.884 -3.896 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.609 -6.996 -5.324 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -1.852 -7.401 -6.190 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -3.769 -6.679 -5.527 1.00 0.00 O ATOM 0 H ASP A 80 -2.637 -7.383 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.677 -8.932 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.720 -6.246 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.084 -6.421 -3.899 1.00 0.00 H new ATOM 1098 N GLU A 81 -0.133 -9.284 -4.521 1.00 0.00 N ATOM 1099 CA GLU A 81 1.275 -9.807 -4.618 1.00 0.00 C ATOM 1100 C GLU A 81 2.250 -8.677 -5.013 1.00 0.00 C ATOM 1101 O GLU A 81 2.703 -8.618 -6.138 1.00 0.00 O ATOM 1102 CB GLU A 81 1.372 -10.923 -5.673 1.00 0.00 C ATOM 1103 CG GLU A 81 2.524 -11.862 -5.305 1.00 0.00 C ATOM 1104 CD GLU A 81 2.788 -12.822 -6.467 1.00 0.00 C ATOM 1105 OE1 GLU A 81 1.847 -13.131 -7.178 1.00 0.00 O ATOM 1106 OE2 GLU A 81 3.927 -13.231 -6.625 1.00 0.00 O ATOM 0 H GLU A 81 -0.683 -9.336 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 81 1.544 -10.203 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.435 -11.478 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.538 -10.493 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.422 -11.285 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.277 -12.423 -4.404 1.00 0.00 H new ATOM 1113 N ILE A 82 2.597 -7.793 -4.103 1.00 0.00 N ATOM 1114 CA ILE A 82 3.566 -6.696 -4.457 1.00 0.00 C ATOM 1115 C ILE A 82 4.991 -7.267 -4.404 1.00 0.00 C ATOM 1116 O ILE A 82 5.411 -7.757 -3.389 1.00 0.00 O ATOM 1117 CB ILE A 82 3.432 -5.559 -3.444 1.00 0.00 C ATOM 1118 CG1 ILE A 82 1.952 -5.359 -3.104 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.000 -4.275 -4.051 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.764 -4.019 -2.391 1.00 0.00 C ATOM 0 H ILE A 82 2.257 -7.781 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 82 3.355 -6.314 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 82 3.982 -5.804 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.353 -5.385 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.602 -6.172 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.907 -3.461 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.051 -4.423 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.447 -4.025 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.710 -3.880 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.350 -4.010 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.098 -3.211 -3.042 1.00 0.00 H new ATOM 1132 N LEU A 83 5.738 -7.234 -5.483 1.00 0.00 N ATOM 1133 CA LEU A 83 7.120 -7.831 -5.439 1.00 0.00 C ATOM 1134 C LEU A 83 8.151 -6.872 -4.832 1.00 0.00 C ATOM 1135 O LEU A 83 9.029 -7.289 -4.105 1.00 0.00 O ATOM 1136 CB LEU A 83 7.585 -8.176 -6.848 1.00 0.00 C ATOM 1137 CG LEU A 83 6.716 -9.294 -7.430 1.00 0.00 C ATOM 1138 CD1 LEU A 83 6.705 -10.486 -6.471 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.285 -8.788 -7.627 1.00 0.00 C ATOM 0 H LEU A 83 5.462 -6.829 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 83 7.053 -8.721 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.529 -7.293 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.629 -8.489 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 83 7.126 -9.602 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.086 -11.281 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.722 -10.852 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.299 -10.175 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.670 -9.587 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.874 -8.475 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.290 -7.941 -8.313 1.00 0.00 H new ATOM 1151 N GLN A 84 8.095 -5.610 -5.143 1.00 0.00 N ATOM 1152 CA GLN A 84 9.124 -4.689 -4.586 1.00 0.00 C ATOM 1153 C GLN A 84 8.498 -3.325 -4.282 1.00 0.00 C ATOM 1154 O GLN A 84 7.359 -3.057 -4.608 1.00 0.00 O ATOM 1155 CB GLN A 84 10.283 -4.560 -5.601 1.00 0.00 C ATOM 1156 CG GLN A 84 10.231 -3.223 -6.354 1.00 0.00 C ATOM 1157 CD GLN A 84 11.484 -3.079 -7.223 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.483 -3.453 -8.378 1.00 0.00 O ATOM 1159 NE2 GLN A 84 12.560 -2.548 -6.710 1.00 0.00 N ATOM 0 H GLN A 84 7.395 -5.180 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 84 9.517 -5.089 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.236 -4.647 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.235 -5.382 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.337 -3.178 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.169 -2.397 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.561 -2.234 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.400 -2.447 -7.279 1.00 0.00 H new ATOM 1168 N LEU A 85 9.251 -2.466 -3.663 1.00 0.00 N ATOM 1169 CA LEU A 85 8.738 -1.112 -3.328 1.00 0.00 C ATOM 1170 C LEU A 85 9.632 -0.078 -4.009 1.00 0.00 C ATOM 1171 O LEU A 85 10.693 -0.394 -4.509 1.00 0.00 O ATOM 1172 CB LEU A 85 8.795 -0.914 -1.811 1.00 0.00 C ATOM 1173 CG LEU A 85 8.007 0.325 -1.399 1.00 0.00 C ATOM 1174 CD1 LEU A 85 7.190 0.003 -0.150 1.00 0.00 C ATOM 1175 CD2 LEU A 85 8.991 1.456 -1.084 1.00 0.00 C ATOM 0 H LEU A 85 10.212 -2.645 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 85 7.708 -1.001 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.389 -1.792 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.832 -0.814 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 85 7.340 0.630 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.623 0.884 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.502 -0.814 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.860 -0.291 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.438 2.347 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.649 1.150 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.588 1.676 -1.969 1.00 0.00 H new ATOM 1187 N GLY A 86 9.221 1.154 -4.028 1.00 0.00 N ATOM 1188 CA GLY A 86 10.058 2.204 -4.667 1.00 0.00 C ATOM 1189 C GLY A 86 11.511 2.033 -4.221 1.00 0.00 C ATOM 1190 O GLY A 86 12.429 2.449 -4.899 1.00 0.00 O ATOM 0 H GLY A 86 8.341 1.482 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.988 2.131 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.695 3.194 -4.390 1.00 0.00 H new ATOM 1194 N GLY A 87 11.732 1.423 -3.085 1.00 0.00 N ATOM 1195 CA GLY A 87 13.145 1.237 -2.611 1.00 0.00 C ATOM 1196 C GLY A 87 13.265 -0.061 -1.803 1.00 0.00 C ATOM 1197 O GLY A 87 13.880 -0.090 -0.756 1.00 0.00 O ATOM 0 H GLY A 87 11.010 1.049 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.822 1.207 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.445 2.086 -1.996 1.00 0.00 H new ATOM 1201 N THR A 88 12.707 -1.141 -2.286 1.00 0.00 N ATOM 1202 CA THR A 88 12.824 -2.427 -1.548 1.00 0.00 C ATOM 1203 C THR A 88 12.324 -3.564 -2.443 1.00 0.00 C ATOM 1204 O THR A 88 11.326 -3.455 -3.114 1.00 0.00 O ATOM 1205 CB THR A 88 12.000 -2.393 -0.234 1.00 0.00 C ATOM 1206 OG1 THR A 88 12.542 -3.348 0.667 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.533 -2.745 -0.506 1.00 0.00 C ATOM 0 H THR A 88 12.178 -1.185 -3.157 1.00 0.00 H new ATOM 0 HA THR A 88 13.870 -2.588 -1.287 1.00 0.00 H new ATOM 0 HB THR A 88 12.048 -1.390 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.824 -3.922 1.007 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.972 -2.715 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.110 -2.025 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.472 -3.746 -0.934 1.00 0.00 H new ATOM 1215 N ALA A 89 13.004 -4.657 -2.455 1.00 0.00 N ATOM 1216 CA ALA A 89 12.543 -5.795 -3.279 1.00 0.00 C ATOM 1217 C ALA A 89 12.682 -7.061 -2.442 1.00 0.00 C ATOM 1218 O ALA A 89 13.705 -7.304 -1.835 1.00 0.00 O ATOM 1219 CB ALA A 89 13.372 -5.883 -4.546 1.00 0.00 C ATOM 0 H ALA A 89 13.863 -4.817 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 89 11.502 -5.664 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.027 -6.723 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.265 -4.960 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.420 -6.029 -4.285 1.00 0.00 H new ATOM 1225 N MET A 90 11.650 -7.847 -2.364 1.00 0.00 N ATOM 1226 CA MET A 90 11.736 -9.075 -1.507 1.00 0.00 C ATOM 1227 C MET A 90 12.302 -10.274 -2.272 1.00 0.00 C ATOM 1228 O MET A 90 13.146 -10.972 -1.752 1.00 0.00 O ATOM 1229 CB MET A 90 10.363 -9.441 -0.935 1.00 0.00 C ATOM 1230 CG MET A 90 10.546 -10.098 0.431 1.00 0.00 C ATOM 1231 SD MET A 90 8.922 -10.419 1.158 1.00 0.00 S ATOM 1232 CE MET A 90 8.483 -8.702 1.521 1.00 0.00 C ATOM 0 H MET A 90 10.762 -7.704 -2.844 1.00 0.00 H new ATOM 0 HA MET A 90 12.419 -8.837 -0.691 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.745 -8.548 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.843 -10.120 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 90 11.102 -11.030 0.328 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.129 -9.449 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.417 -8.554 1.347 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.715 -8.480 2.563 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.052 -8.036 0.873 1.00 0.00 H new ATOM 1242 N GLN A 91 11.828 -10.570 -3.462 1.00 0.00 N ATOM 1243 CA GLN A 91 12.371 -11.797 -4.170 1.00 0.00 C ATOM 1244 C GLN A 91 13.875 -12.012 -3.894 1.00 0.00 C ATOM 1245 O GLN A 91 14.323 -13.140 -3.824 1.00 0.00 O ATOM 1246 CB GLN A 91 12.109 -11.748 -5.695 1.00 0.00 C ATOM 1247 CG GLN A 91 10.610 -11.909 -6.002 1.00 0.00 C ATOM 1248 CD GLN A 91 10.053 -10.562 -6.444 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.721 -9.734 -5.620 1.00 0.00 O ATOM 1250 NE2 GLN A 91 9.944 -10.306 -7.721 1.00 0.00 N ATOM 0 H GLN A 91 11.115 -10.043 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 91 11.829 -12.648 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.467 -10.801 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.672 -12.539 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.463 -12.654 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.080 -12.265 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.225 -11.006 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.578 -9.406 -8.031 1.00 0.00 H new ATOM 1259 N GLY A 92 14.656 -10.986 -3.686 1.00 0.00 N ATOM 1260 CA GLY A 92 16.085 -11.213 -3.366 1.00 0.00 C ATOM 1261 C GLY A 92 16.285 -10.747 -1.933 1.00 0.00 C ATOM 1262 O GLY A 92 17.172 -9.973 -1.632 1.00 0.00 O ATOM 0 H GLY A 92 14.365 -10.009 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.344 -12.267 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.728 -10.657 -4.048 1.00 0.00 H new ATOM 1266 N LEU A 93 15.428 -11.187 -1.048 1.00 0.00 N ATOM 1267 CA LEU A 93 15.528 -10.740 0.356 1.00 0.00 C ATOM 1268 C LEU A 93 14.599 -11.596 1.220 1.00 0.00 C ATOM 1269 O LEU A 93 14.190 -12.673 0.834 1.00 0.00 O ATOM 1270 CB LEU A 93 15.099 -9.268 0.418 1.00 0.00 C ATOM 1271 CG LEU A 93 16.273 -8.417 0.907 1.00 0.00 C ATOM 1272 CD1 LEU A 93 16.195 -7.026 0.274 1.00 0.00 C ATOM 1273 CD2 LEU A 93 16.210 -8.285 2.430 1.00 0.00 C ATOM 0 H LEU A 93 14.666 -11.836 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 93 16.548 -10.844 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.776 -8.930 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 93 14.248 -9.154 1.089 1.00 0.00 H new ATOM 0 HG LEU A 93 17.210 -8.896 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 93 17.031 -6.420 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.240 -7.117 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.258 -6.549 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 93 17.047 -7.679 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.273 -7.808 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.266 -9.275 2.884 1.00 0.00 H new ATOM 1285 N THR A 94 14.266 -11.124 2.382 1.00 0.00 N ATOM 1286 CA THR A 94 13.365 -11.897 3.281 1.00 0.00 C ATOM 1287 C THR A 94 12.161 -11.036 3.668 1.00 0.00 C ATOM 1288 O THR A 94 12.198 -9.824 3.591 1.00 0.00 O ATOM 1289 CB THR A 94 14.126 -12.304 4.544 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.423 -11.725 4.521 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.244 -13.827 4.601 1.00 0.00 C ATOM 0 H THR A 94 14.580 -10.228 2.754 1.00 0.00 H new ATOM 0 HA THR A 94 13.019 -12.790 2.761 1.00 0.00 H new ATOM 0 HB THR A 94 13.587 -11.951 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.989 -12.164 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.786 -14.116 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.248 -14.269 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.782 -14.183 3.723 1.00 0.00 H new ATOM 1299 N ARG A 95 11.090 -11.658 4.072 1.00 0.00 N ATOM 1300 CA ARG A 95 9.867 -10.881 4.454 1.00 0.00 C ATOM 1301 C ARG A 95 10.226 -9.694 5.352 1.00 0.00 C ATOM 1302 O ARG A 95 10.106 -8.551 4.957 1.00 0.00 O ATOM 1303 CB ARG A 95 8.869 -11.792 5.193 1.00 0.00 C ATOM 1304 CG ARG A 95 7.850 -10.944 5.948 1.00 0.00 C ATOM 1305 CD ARG A 95 6.767 -11.864 6.483 1.00 0.00 C ATOM 1306 NE ARG A 95 6.774 -11.837 7.973 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.551 -12.933 8.645 1.00 0.00 C ATOM 1308 NH1 ARG A 95 7.048 -14.067 8.229 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.832 -12.896 9.732 1.00 0.00 N ATOM 0 H ARG A 95 11.003 -12.671 4.156 1.00 0.00 H new ATOM 0 HA ARG A 95 9.413 -10.503 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.359 -12.440 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.402 -12.440 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.333 -10.410 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.418 -10.192 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.793 -11.550 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.932 -12.881 6.128 1.00 0.00 H new ATOM 0 HE ARG A 95 6.953 -10.963 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.611 -14.096 7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.874 -14.924 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.444 -12.010 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.658 -13.753 10.257 1.00 0.00 H new ATOM 1323 N PHE A 96 10.625 -9.948 6.563 1.00 0.00 N ATOM 1324 CA PHE A 96 10.939 -8.821 7.484 1.00 0.00 C ATOM 1325 C PHE A 96 12.031 -7.942 6.886 1.00 0.00 C ATOM 1326 O PHE A 96 11.913 -6.734 6.849 1.00 0.00 O ATOM 1327 CB PHE A 96 11.399 -9.369 8.836 1.00 0.00 C ATOM 1328 CG PHE A 96 10.355 -9.056 9.881 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.940 -7.734 10.081 1.00 0.00 C ATOM 1330 CD2 PHE A 96 9.800 -10.086 10.646 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.971 -7.442 11.048 1.00 0.00 C ATOM 1332 CE2 PHE A 96 8.831 -9.796 11.614 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.417 -8.474 11.815 1.00 0.00 C ATOM 0 H PHE A 96 10.748 -10.881 6.956 1.00 0.00 H new ATOM 0 HA PHE A 96 10.040 -8.221 7.626 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.554 -10.446 8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.355 -8.925 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.368 -6.939 9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.119 -11.106 10.490 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.651 -6.422 11.202 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.403 -10.592 12.205 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.670 -8.250 12.562 1.00 0.00 H new ATOM 1343 N GLU A 97 13.093 -8.527 6.420 1.00 0.00 N ATOM 1344 CA GLU A 97 14.177 -7.701 5.834 1.00 0.00 C ATOM 1345 C GLU A 97 13.592 -6.789 4.759 1.00 0.00 C ATOM 1346 O GLU A 97 13.952 -5.636 4.658 1.00 0.00 O ATOM 1347 CB GLU A 97 15.242 -8.606 5.217 1.00 0.00 C ATOM 1348 CG GLU A 97 15.655 -9.671 6.234 1.00 0.00 C ATOM 1349 CD GLU A 97 15.991 -8.999 7.567 1.00 0.00 C ATOM 1350 OE1 GLU A 97 16.781 -8.070 7.557 1.00 0.00 O ATOM 1351 OE2 GLU A 97 15.450 -9.424 8.574 1.00 0.00 O ATOM 0 H GLU A 97 13.257 -9.534 6.419 1.00 0.00 H new ATOM 0 HA GLU A 97 14.634 -7.096 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.854 -9.080 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.109 -8.016 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.848 -10.391 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.518 -10.225 5.866 1.00 0.00 H new ATOM 1358 N ALA A 98 12.696 -7.292 3.950 1.00 0.00 N ATOM 1359 CA ALA A 98 12.107 -6.442 2.876 1.00 0.00 C ATOM 1360 C ALA A 98 11.309 -5.288 3.479 1.00 0.00 C ATOM 1361 O ALA A 98 11.654 -4.133 3.326 1.00 0.00 O ATOM 1362 CB ALA A 98 11.184 -7.292 2.003 1.00 0.00 C ATOM 0 H ALA A 98 12.349 -8.250 3.987 1.00 0.00 H new ATOM 0 HA ALA A 98 12.917 -6.032 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.753 -6.671 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.755 -8.103 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.385 -7.708 2.616 1.00 0.00 H new ATOM 1368 N TRP A 99 10.238 -5.591 4.144 1.00 0.00 N ATOM 1369 CA TRP A 99 9.396 -4.504 4.743 1.00 0.00 C ATOM 1370 C TRP A 99 10.248 -3.587 5.642 1.00 0.00 C ATOM 1371 O TRP A 99 9.859 -2.475 5.938 1.00 0.00 O ATOM 1372 CB TRP A 99 8.270 -5.145 5.564 1.00 0.00 C ATOM 1373 CG TRP A 99 7.484 -4.101 6.286 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.052 -4.213 7.562 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.015 -2.809 5.806 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.345 -3.075 7.897 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.294 -2.180 6.849 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.141 -2.128 4.582 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.719 -0.924 6.683 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.563 -0.860 4.414 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.853 -0.260 5.463 1.00 0.00 C ATOM 0 H TRP A 99 9.901 -6.540 4.304 1.00 0.00 H new ATOM 0 HA TRP A 99 8.973 -3.895 3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.612 -5.713 4.907 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.691 -5.850 6.280 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.231 -5.056 8.214 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.914 -2.916 8.808 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.685 -2.583 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.172 -0.466 7.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.666 -0.344 3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.410 0.716 5.327 1.00 0.00 H new ATOM 1392 N ASN A 100 11.397 -4.034 6.086 1.00 0.00 N ATOM 1393 CA ASN A 100 12.240 -3.168 6.968 1.00 0.00 C ATOM 1394 C ASN A 100 13.035 -2.141 6.136 1.00 0.00 C ATOM 1395 O ASN A 100 13.055 -0.970 6.456 1.00 0.00 O ATOM 1396 CB ASN A 100 13.209 -4.043 7.769 1.00 0.00 C ATOM 1397 CG ASN A 100 12.428 -4.848 8.809 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.358 -4.450 9.226 1.00 0.00 O ATOM 1399 ND2 ASN A 100 12.922 -5.972 9.251 1.00 0.00 N ATOM 0 H ASN A 100 11.786 -4.954 5.878 1.00 0.00 H new ATOM 0 HA ASN A 100 11.584 -2.625 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.746 -4.716 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.956 -3.420 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.410 -6.516 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.820 -6.307 8.902 1.00 0.00 H new ATOM 1406 N ILE A 101 13.692 -2.556 5.078 1.00 0.00 N ATOM 1407 CA ILE A 101 14.474 -1.585 4.255 1.00 0.00 C ATOM 1408 C ILE A 101 13.610 -0.378 3.927 1.00 0.00 C ATOM 1409 O ILE A 101 14.074 0.745 3.886 1.00 0.00 O ATOM 1410 CB ILE A 101 14.861 -2.238 2.936 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.765 -3.432 3.182 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.557 -1.228 2.034 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.058 -4.658 2.620 1.00 0.00 C ATOM 0 H ILE A 101 13.719 -3.522 4.752 1.00 0.00 H new ATOM 0 HA ILE A 101 15.358 -1.284 4.816 1.00 0.00 H new ATOM 0 HB ILE A 101 13.954 -2.585 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.731 -3.289 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 101 15.958 -3.555 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.829 -1.707 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.884 -0.394 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.457 -0.859 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.678 -5.540 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.102 -4.791 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.887 -4.522 1.552 1.00 0.00 H new ATOM 1425 N ILE A 102 12.356 -0.602 3.669 1.00 0.00 N ATOM 1426 CA ILE A 102 11.458 0.528 3.316 1.00 0.00 C ATOM 1427 C ILE A 102 11.434 1.539 4.461 1.00 0.00 C ATOM 1428 O ILE A 102 11.842 2.675 4.316 1.00 0.00 O ATOM 1429 CB ILE A 102 10.064 -0.032 3.105 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.997 -0.763 1.794 1.00 0.00 C ATOM 1431 CG2 ILE A 102 9.016 1.078 3.139 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.949 -2.255 2.117 1.00 0.00 C ATOM 0 H ILE A 102 11.913 -1.520 3.687 1.00 0.00 H new ATOM 0 HA ILE A 102 11.810 1.026 2.413 1.00 0.00 H new ATOM 0 HB ILE A 102 9.850 -0.727 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.115 -0.462 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.865 -0.530 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.026 0.649 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.048 1.579 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.225 1.800 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.899 -2.827 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.845 -2.537 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.068 -2.468 2.722 1.00 0.00 H new ATOM 1444 N LYS A 103 10.950 1.129 5.596 1.00 0.00 N ATOM 1445 CA LYS A 103 10.881 2.056 6.767 1.00 0.00 C ATOM 1446 C LYS A 103 12.193 2.826 6.895 1.00 0.00 C ATOM 1447 O LYS A 103 12.240 3.920 7.422 1.00 0.00 O ATOM 1448 CB LYS A 103 10.655 1.248 8.046 1.00 0.00 C ATOM 1449 CG LYS A 103 9.317 0.518 7.963 1.00 0.00 C ATOM 1450 CD LYS A 103 8.909 0.035 9.356 1.00 0.00 C ATOM 1451 CE LYS A 103 9.355 -1.417 9.547 1.00 0.00 C ATOM 1452 NZ LYS A 103 9.745 -1.635 10.969 1.00 0.00 N ATOM 0 H LYS A 103 10.596 0.188 5.769 1.00 0.00 H new ATOM 0 HA LYS A 103 10.058 2.755 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.464 0.530 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.666 1.909 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.553 1.182 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.395 -0.329 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.362 0.668 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.829 0.113 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.547 -2.096 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.196 -1.640 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.048 -2.621 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.528 -0.997 11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.931 -1.439 11.586 1.00 0.00 H new ATOM 1466 N ALA A 104 13.257 2.246 6.436 1.00 0.00 N ATOM 1467 CA ALA A 104 14.588 2.912 6.540 1.00 0.00 C ATOM 1468 C ALA A 104 14.775 3.936 5.415 1.00 0.00 C ATOM 1469 O ALA A 104 15.805 4.572 5.316 1.00 0.00 O ATOM 1470 CB ALA A 104 15.685 1.855 6.433 1.00 0.00 C ATOM 0 H ALA A 104 13.268 1.330 5.988 1.00 0.00 H new ATOM 0 HA ALA A 104 14.645 3.428 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.661 2.335 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.573 1.131 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.605 1.343 5.474 1.00 0.00 H new ATOM 1476 N LEU A 105 13.803 4.098 4.564 1.00 0.00 N ATOM 1477 CA LEU A 105 13.956 5.079 3.449 1.00 0.00 C ATOM 1478 C LEU A 105 13.388 6.442 3.875 1.00 0.00 C ATOM 1479 O LEU A 105 12.846 6.571 4.954 1.00 0.00 O ATOM 1480 CB LEU A 105 13.190 4.547 2.236 1.00 0.00 C ATOM 1481 CG LEU A 105 14.166 3.856 1.283 1.00 0.00 C ATOM 1482 CD1 LEU A 105 13.641 2.460 0.942 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.303 4.678 -0.002 1.00 0.00 C ATOM 0 H LEU A 105 12.914 3.599 4.589 1.00 0.00 H new ATOM 0 HA LEU A 105 15.009 5.207 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.420 3.846 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.683 5.365 1.725 1.00 0.00 H new ATOM 0 HG LEU A 105 15.141 3.773 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.336 1.966 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.548 1.873 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.665 2.545 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.999 4.182 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.329 4.765 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.678 5.672 0.240 1.00 0.00 H new ATOM 1495 N PRO A 106 13.526 7.420 3.008 1.00 0.00 N ATOM 1496 CA PRO A 106 13.031 8.784 3.266 1.00 0.00 C ATOM 1497 C PRO A 106 11.527 8.886 2.978 1.00 0.00 C ATOM 1498 O PRO A 106 10.888 7.924 2.599 1.00 0.00 O ATOM 1499 CB PRO A 106 13.837 9.648 2.295 1.00 0.00 C ATOM 1500 CG PRO A 106 14.319 8.707 1.164 1.00 0.00 C ATOM 1501 CD PRO A 106 14.208 7.268 1.704 1.00 0.00 C ATOM 0 HA PRO A 106 13.153 9.090 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.224 10.455 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.684 10.112 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.708 8.833 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.347 8.936 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.637 6.632 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.190 6.809 1.819 1.00 0.00 H new ATOM 1509 N ASP A 107 10.959 10.049 3.162 1.00 0.00 N ATOM 1510 CA ASP A 107 9.502 10.230 2.912 1.00 0.00 C ATOM 1511 C ASP A 107 9.284 10.796 1.508 1.00 0.00 C ATOM 1512 O ASP A 107 9.309 11.994 1.299 1.00 0.00 O ATOM 1513 CB ASP A 107 8.925 11.205 3.943 1.00 0.00 C ATOM 1514 CG ASP A 107 9.686 11.071 5.264 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.933 9.948 5.671 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.008 12.094 5.845 1.00 0.00 O ATOM 0 H ASP A 107 11.448 10.887 3.477 1.00 0.00 H new ATOM 0 HA ASP A 107 9.002 9.265 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.999 12.227 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.866 10.999 4.100 1.00 0.00 H new ATOM 1521 N GLY A 108 9.066 9.946 0.546 1.00 0.00 N ATOM 1522 CA GLY A 108 8.839 10.437 -0.849 1.00 0.00 C ATOM 1523 C GLY A 108 7.835 9.523 -1.560 1.00 0.00 C ATOM 1524 O GLY A 108 7.051 8.850 -0.921 1.00 0.00 O ATOM 0 H GLY A 108 9.034 8.933 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.463 11.460 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.781 10.454 -1.397 1.00 0.00 H new ATOM 1528 N PRO A 109 7.893 9.530 -2.868 1.00 0.00 N ATOM 1529 CA PRO A 109 7.002 8.710 -3.712 1.00 0.00 C ATOM 1530 C PRO A 109 7.469 7.255 -3.725 1.00 0.00 C ATOM 1531 O PRO A 109 8.364 6.882 -4.458 1.00 0.00 O ATOM 1532 CB PRO A 109 7.142 9.342 -5.100 1.00 0.00 C ATOM 1533 CG PRO A 109 8.493 10.095 -5.103 1.00 0.00 C ATOM 1534 CD PRO A 109 8.856 10.353 -3.629 1.00 0.00 C ATOM 0 HA PRO A 109 5.971 8.693 -3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.121 8.579 -5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.316 10.025 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.265 9.503 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.413 11.033 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.884 10.062 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.765 11.409 -3.375 1.00 0.00 H new ATOM 1542 N VAL A 110 6.855 6.430 -2.927 1.00 0.00 N ATOM 1543 CA VAL A 110 7.234 4.997 -2.891 1.00 0.00 C ATOM 1544 C VAL A 110 6.408 4.273 -3.936 1.00 0.00 C ATOM 1545 O VAL A 110 5.211 4.134 -3.805 1.00 0.00 O ATOM 1546 CB VAL A 110 6.942 4.427 -1.503 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.713 5.096 -0.921 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.668 2.920 -1.577 1.00 0.00 C ATOM 0 H VAL A 110 6.100 6.692 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 110 8.297 4.873 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 110 7.815 4.611 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.510 4.686 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.887 6.169 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.858 4.915 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.463 2.538 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.806 2.738 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.540 2.411 -1.988 1.00 0.00 H new ATOM 1558 N THR A 111 7.034 3.828 -4.974 1.00 0.00 N ATOM 1559 CA THR A 111 6.273 3.136 -6.045 1.00 0.00 C ATOM 1560 C THR A 111 6.159 1.641 -5.739 1.00 0.00 C ATOM 1561 O THR A 111 7.127 0.969 -5.445 1.00 0.00 O ATOM 1562 CB THR A 111 6.983 3.328 -7.386 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.612 4.601 -7.407 1.00 0.00 O ATOM 1564 CG2 THR A 111 5.960 3.242 -8.520 1.00 0.00 C ATOM 0 H THR A 111 8.038 3.910 -5.133 1.00 0.00 H new ATOM 0 HA THR A 111 5.272 3.564 -6.094 1.00 0.00 H new ATOM 0 HB THR A 111 7.735 2.550 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.069 4.726 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.465 3.379 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.477 2.265 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.208 4.021 -8.392 1.00 0.00 H new ATOM 1572 N ILE A 112 4.963 1.134 -5.809 1.00 0.00 N ATOM 1573 CA ILE A 112 4.708 -0.301 -5.533 1.00 0.00 C ATOM 1574 C ILE A 112 4.244 -0.994 -6.813 1.00 0.00 C ATOM 1575 O ILE A 112 3.729 -0.367 -7.717 1.00 0.00 O ATOM 1576 CB ILE A 112 3.602 -0.412 -4.482 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.683 0.809 -4.563 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.215 -0.504 -3.083 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.586 0.688 -3.512 1.00 0.00 C ATOM 0 H ILE A 112 4.130 1.671 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 112 5.622 -0.773 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 112 3.020 -1.313 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.257 1.721 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.243 0.881 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.420 -0.583 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.855 -1.384 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.808 0.389 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.931 1.557 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.006 -0.217 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 112 2.036 0.637 -2.521 1.00 0.00 H new ATOM 1591 N VAL A 113 4.391 -2.290 -6.892 1.00 0.00 N ATOM 1592 CA VAL A 113 3.925 -3.011 -8.104 1.00 0.00 C ATOM 1593 C VAL A 113 3.064 -4.177 -7.640 1.00 0.00 C ATOM 1594 O VAL A 113 3.563 -5.188 -7.190 1.00 0.00 O ATOM 1595 CB VAL A 113 5.109 -3.553 -8.908 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.838 -3.364 -10.404 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.392 -2.807 -8.528 1.00 0.00 C ATOM 0 H VAL A 113 4.812 -2.875 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 113 3.365 -2.329 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 113 5.233 -4.613 -8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.681 -3.750 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.933 -3.904 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.708 -2.303 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.227 -3.202 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.272 -1.745 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.591 -2.943 -7.465 1.00 0.00 H new ATOM 1607 N ILE A 114 1.779 -4.037 -7.721 1.00 0.00 N ATOM 1608 CA ILE A 114 0.893 -5.134 -7.254 1.00 0.00 C ATOM 1609 C ILE A 114 0.242 -5.829 -8.448 1.00 0.00 C ATOM 1610 O ILE A 114 -0.294 -5.197 -9.337 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.187 -4.560 -6.329 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.250 -3.830 -7.154 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.457 -3.574 -5.353 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.342 -4.818 -7.562 1.00 0.00 C ATOM 0 H ILE A 114 1.301 -3.214 -8.089 1.00 0.00 H new ATOM 0 HA ILE A 114 1.487 -5.865 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.657 -5.375 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.681 -3.014 -6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.797 -3.385 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.307 -3.163 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.210 -4.090 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.928 -2.765 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.100 -4.300 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.904 -5.618 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.802 -5.241 -6.669 1.00 0.00 H new ATOM 1626 N ARG A 115 0.271 -7.133 -8.459 1.00 0.00 N ATOM 1627 CA ARG A 115 -0.361 -7.890 -9.577 1.00 0.00 C ATOM 1628 C ARG A 115 -1.337 -8.894 -8.966 1.00 0.00 C ATOM 1629 O ARG A 115 -0.940 -9.835 -8.308 1.00 0.00 O ATOM 1630 CB ARG A 115 0.707 -8.636 -10.395 1.00 0.00 C ATOM 1631 CG ARG A 115 0.041 -9.740 -11.227 1.00 0.00 C ATOM 1632 CD ARG A 115 0.871 -10.007 -12.484 1.00 0.00 C ATOM 1633 NE ARG A 115 2.143 -10.682 -12.105 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.175 -9.969 -11.749 1.00 0.00 C ATOM 1635 NH1 ARG A 115 3.456 -8.867 -12.386 1.00 0.00 N ATOM 1636 NH2 ARG A 115 3.930 -10.362 -10.758 1.00 0.00 N ATOM 0 H ARG A 115 0.707 -7.709 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.880 -7.203 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.230 -7.939 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.453 -9.069 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.046 -10.652 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.970 -9.441 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.309 -10.631 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.083 -9.070 -12.998 1.00 0.00 H new ATOM 0 HE ARG A 115 2.207 -11.700 -12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.869 -8.563 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.263 -8.309 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 115 3.712 -11.227 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 115 4.737 -9.804 -10.480 1.00 0.00 H new ATOM 1650 N ARG A 116 -2.607 -8.700 -9.165 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.593 -9.647 -8.577 1.00 0.00 C ATOM 1652 C ARG A 116 -4.088 -10.605 -9.664 1.00 0.00 C ATOM 1653 O ARG A 116 -4.380 -10.202 -10.771 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.779 -8.863 -8.011 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.029 -9.290 -6.562 1.00 0.00 C ATOM 1656 CD ARG A 116 -6.162 -10.318 -6.519 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.363 -10.777 -5.114 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.473 -11.373 -4.774 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -8.614 -10.753 -4.905 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -7.441 -12.589 -4.300 1.00 0.00 N ATOM 0 H ARG A 116 -3.005 -7.932 -9.706 1.00 0.00 H new ATOM 0 HA ARG A 116 -3.119 -10.216 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.576 -7.793 -8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.669 -9.044 -8.613 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.121 -9.716 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.288 -8.422 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.082 -9.878 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.922 -11.167 -7.159 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.632 -10.625 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.638 -9.802 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.481 -11.219 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.549 -13.072 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.308 -13.056 -4.034 1.00 0.00 H new