USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 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 20 MET CE :methyl -165:sc= -0.142 (180deg=-0.564) USER MOD Set 1.2: A 63 MET CE :methyl 173:sc= -0.417 (180deg=-0.545) USER MOD Set 2.1: A 31 HIS :FLIP no HE2:sc= -1.57 F(o=-5.3,f=-2) USER MOD Set 2.2: A 45 MET CE :methyl -135:sc= -0.208 (180deg=-0.745) USER MOD Set 2.3: A 49 HIS : no HD1:sc= -0.219 K(o=-2,f=-6.6!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0.386 (180deg=0.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.865 K(o=0.87,f=-1.9) USER MOD Single : A 35 CYS SG : rot 161:sc= 0.617 USER MOD Single : A 36 GLN : amide:sc= 0.738 K(o=0.74,f=-0.11) USER MOD Single : A 38 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.183 (180deg=-2.31!) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.109 F(o=-3!,f=-0.11) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.0116 USER MOD Single : A 56 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 58 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=-0.0023) USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0105) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.422) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 77 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.0085) USER MOD Single : A 79 SER OG : rot 77:sc= 0.258 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00836 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.342 8.836 16.886 1.00 0.00 N ATOM 285 CA TYR A 18 5.130 10.076 16.823 1.00 0.00 C ATOM 286 C TYR A 18 6.659 9.873 16.897 1.00 0.00 C ATOM 287 O TYR A 18 7.419 10.751 16.502 1.00 0.00 O ATOM 288 CB TYR A 18 4.707 11.083 17.951 1.00 0.00 C ATOM 289 CG TYR A 18 3.245 11.521 17.869 1.00 0.00 C ATOM 290 CD1 TYR A 18 2.868 12.566 17.031 1.00 0.00 C ATOM 291 CD2 TYR A 18 2.255 10.960 18.672 1.00 0.00 C ATOM 292 CE1 TYR A 18 1.569 13.047 17.016 1.00 0.00 C ATOM 293 CE2 TYR A 18 0.955 11.440 18.653 1.00 0.00 C ATOM 294 CZ TYR A 18 0.607 12.486 17.825 1.00 0.00 C ATOM 295 OH TYR A 18 -0.741 12.923 17.756 1.00 0.00 O ATOM 0 HA TYR A 18 4.905 10.482 15.837 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.885 10.622 18.922 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.345 11.965 17.896 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.604 13.012 16.378 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.505 10.135 19.322 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.309 13.868 16.365 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.209 10.991 19.292 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.282 12.417 18.397 1.00 0.00 H new ATOM 305 N ASP A 19 7.130 8.678 17.355 1.00 0.00 N ATOM 306 CA ASP A 19 8.503 8.193 17.243 1.00 0.00 C ATOM 307 C ASP A 19 8.646 7.354 15.941 1.00 0.00 C ATOM 308 O ASP A 19 9.123 7.844 14.916 1.00 0.00 O ATOM 309 CB ASP A 19 8.901 7.374 18.515 1.00 0.00 C ATOM 310 CG ASP A 19 10.386 6.983 18.560 1.00 0.00 C ATOM 311 OD1 ASP A 19 11.242 7.907 18.565 1.00 0.00 O ATOM 312 OD2 ASP A 19 10.675 5.757 18.587 1.00 0.00 O ATOM 0 H ASP A 19 6.522 8.011 17.830 1.00 0.00 H new ATOM 0 HA ASP A 19 9.189 9.038 17.182 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.662 7.960 19.403 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.295 6.469 18.558 1.00 0.00 H new ATOM 317 N MET A 20 8.211 6.049 15.977 1.00 0.00 N ATOM 318 CA MET A 20 8.323 4.991 14.947 1.00 0.00 C ATOM 319 C MET A 20 7.777 5.231 13.559 1.00 0.00 C ATOM 320 O MET A 20 8.281 4.662 12.593 1.00 0.00 O ATOM 321 CB MET A 20 7.949 3.549 15.442 1.00 0.00 C ATOM 322 CG MET A 20 8.997 2.953 16.392 1.00 0.00 C ATOM 323 SD MET A 20 10.711 3.065 15.758 1.00 0.00 S ATOM 324 CE MET A 20 10.507 2.274 14.127 1.00 0.00 C ATOM 0 H MET A 20 7.734 5.695 16.806 1.00 0.00 H new ATOM 0 HA MET A 20 9.401 5.063 14.800 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.984 3.583 15.949 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.833 2.893 14.579 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.939 3.467 17.351 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.755 1.906 16.576 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.486 2.019 13.721 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.911 1.367 14.234 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.001 2.962 13.450 1.00 0.00 H new ATOM 334 N VAL A 21 6.765 6.108 13.404 1.00 0.00 N ATOM 335 CA VAL A 21 6.264 6.529 12.073 1.00 0.00 C ATOM 336 C VAL A 21 7.160 7.504 11.337 1.00 0.00 C ATOM 337 O VAL A 21 7.244 7.431 10.113 1.00 0.00 O ATOM 338 CB VAL A 21 4.770 6.907 12.111 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.343 8.141 11.264 1.00 0.00 C ATOM 340 CG2 VAL A 21 3.980 5.635 11.763 1.00 0.00 C ATOM 0 H VAL A 21 6.274 6.542 14.186 1.00 0.00 H new ATOM 0 HA VAL A 21 6.322 5.646 11.436 1.00 0.00 H new ATOM 0 HB VAL A 21 4.541 7.261 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.271 8.304 11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.882 9.023 11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.577 7.961 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.912 5.854 11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.266 5.289 10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.201 4.858 12.495 1.00 0.00 H new ATOM 350 N VAL A 22 7.877 8.436 12.038 1.00 0.00 N ATOM 351 CA VAL A 22 8.778 9.456 11.455 1.00 0.00 C ATOM 352 C VAL A 22 9.881 8.946 10.506 1.00 0.00 C ATOM 353 O VAL A 22 10.046 9.485 9.421 1.00 0.00 O ATOM 354 CB VAL A 22 9.317 10.451 12.488 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.128 11.602 11.834 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.125 11.043 13.275 1.00 0.00 C ATOM 0 H VAL A 22 7.835 8.491 13.056 1.00 0.00 H new ATOM 0 HA VAL A 22 8.105 9.999 10.791 1.00 0.00 H new ATOM 0 HB VAL A 22 9.996 9.914 13.151 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.488 12.279 12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.978 11.186 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.489 12.150 11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.494 11.754 14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.452 11.553 12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.588 10.240 13.780 1.00 0.00 H new ATOM 366 N LYS A 23 10.641 7.869 10.847 1.00 0.00 N ATOM 367 CA LYS A 23 11.582 7.178 9.953 1.00 0.00 C ATOM 368 C LYS A 23 10.949 6.285 8.881 1.00 0.00 C ATOM 369 O LYS A 23 11.537 6.054 7.830 1.00 0.00 O ATOM 370 CB LYS A 23 12.692 6.398 10.699 1.00 0.00 C ATOM 371 CG LYS A 23 12.231 5.132 11.446 1.00 0.00 C ATOM 372 CD LYS A 23 12.455 5.240 12.951 1.00 0.00 C ATOM 373 CE LYS A 23 11.537 6.283 13.588 1.00 0.00 C ATOM 374 NZ LYS A 23 11.749 6.302 15.051 1.00 0.00 N ATOM 0 H LYS A 23 10.607 7.455 11.779 1.00 0.00 H new ATOM 0 HA LYS A 23 12.038 8.015 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.458 6.113 9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.163 7.070 11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.173 4.960 11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.771 4.267 11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.280 4.269 13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.495 5.503 13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.742 7.268 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.496 6.051 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.214 7.090 15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.421 5.404 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.762 6.425 15.253 1.00 0.00 H new ATOM 388 N ILE A 24 9.715 5.736 9.127 1.00 0.00 N ATOM 389 CA ILE A 24 8.970 4.851 8.205 1.00 0.00 C ATOM 390 C ILE A 24 8.319 5.606 7.050 1.00 0.00 C ATOM 391 O ILE A 24 8.376 5.141 5.917 1.00 0.00 O ATOM 392 CB ILE A 24 8.045 3.821 8.895 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.758 2.439 9.095 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.647 3.680 8.199 1.00 0.00 C ATOM 395 CD1 ILE A 24 8.038 1.658 10.205 1.00 0.00 C ATOM 0 H ILE A 24 9.211 5.909 9.996 1.00 0.00 H new ATOM 0 HA ILE A 24 9.735 4.224 7.747 1.00 0.00 H new ATOM 0 HB ILE A 24 7.835 4.219 9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.744 1.870 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.804 2.591 9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.048 2.942 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.135 4.642 8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.785 3.357 7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.529 0.695 10.350 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.075 2.228 11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.998 1.496 9.920 1.00 0.00 H new ATOM 407 N ILE A 25 7.726 6.831 7.256 1.00 0.00 N ATOM 408 CA ILE A 25 7.103 7.709 6.215 1.00 0.00 C ATOM 409 C ILE A 25 8.012 8.030 5.025 1.00 0.00 C ATOM 410 O ILE A 25 7.566 8.160 3.887 1.00 0.00 O ATOM 411 CB ILE A 25 6.442 8.993 6.751 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.420 9.822 7.622 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.156 8.577 7.490 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.764 10.793 8.609 1.00 0.00 C ATOM 0 H ILE A 25 7.670 7.243 8.187 1.00 0.00 H new ATOM 0 HA ILE A 25 6.297 7.075 5.846 1.00 0.00 H new ATOM 0 HB ILE A 25 6.177 9.663 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.052 9.134 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.075 10.390 6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.660 9.464 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.488 8.065 6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.409 7.907 8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.537 11.322 9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.155 11.513 8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.133 10.236 9.302 1.00 0.00 H new ATOM 426 N ASP A 26 9.350 8.060 5.291 1.00 0.00 N ATOM 427 CA ASP A 26 10.454 8.121 4.335 1.00 0.00 C ATOM 428 C ASP A 26 10.586 6.881 3.427 1.00 0.00 C ATOM 429 O ASP A 26 11.149 6.999 2.347 1.00 0.00 O ATOM 430 CB ASP A 26 11.822 8.390 5.023 1.00 0.00 C ATOM 431 CG ASP A 26 11.750 9.688 5.833 1.00 0.00 C ATOM 432 OD1 ASP A 26 11.488 10.756 5.217 1.00 0.00 O ATOM 433 OD2 ASP A 26 11.961 9.627 7.072 1.00 0.00 O ATOM 0 H ASP A 26 9.690 8.040 6.252 1.00 0.00 H new ATOM 0 HA ASP A 26 10.190 8.965 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.081 7.557 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.609 8.462 4.272 1.00 0.00 H new ATOM 438 N VAL A 27 10.009 5.676 3.784 1.00 0.00 N ATOM 439 CA VAL A 27 9.914 4.473 2.931 1.00 0.00 C ATOM 440 C VAL A 27 8.930 4.699 1.765 1.00 0.00 C ATOM 441 O VAL A 27 9.276 4.510 0.599 1.00 0.00 O ATOM 442 CB VAL A 27 9.701 3.082 3.616 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.650 2.845 4.801 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.300 2.679 4.143 1.00 0.00 C ATOM 0 H VAL A 27 9.592 5.533 4.704 1.00 0.00 H new ATOM 0 HA VAL A 27 10.933 4.370 2.559 1.00 0.00 H new ATOM 0 HB VAL A 27 9.896 2.464 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.454 1.864 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.683 2.889 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.488 3.614 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.350 1.683 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.976 3.395 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.588 2.675 3.318 1.00 0.00 H new ATOM 454 N LEU A 28 7.679 5.188 2.050 1.00 0.00 N ATOM 455 CA LEU A 28 6.629 5.456 1.062 1.00 0.00 C ATOM 456 C LEU A 28 6.891 6.656 0.139 1.00 0.00 C ATOM 457 O LEU A 28 6.944 6.474 -1.074 1.00 0.00 O ATOM 458 CB LEU A 28 5.225 5.697 1.732 1.00 0.00 C ATOM 459 CG LEU A 28 4.594 4.574 2.611 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.925 3.162 2.110 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.877 4.671 4.129 1.00 0.00 C ATOM 0 H LEU A 28 7.387 5.405 3.003 1.00 0.00 H new ATOM 0 HA LEU A 28 6.635 4.548 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.307 6.590 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.517 5.926 0.935 1.00 0.00 H new ATOM 0 HG LEU A 28 3.526 4.757 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.457 2.425 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.548 3.038 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.005 3.018 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.392 3.842 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.952 4.626 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.487 5.614 4.512 1.00 0.00 H new ATOM 473 N ARG A 29 7.191 7.880 0.654 1.00 0.00 N ATOM 474 CA ARG A 29 7.552 9.112 -0.096 1.00 0.00 C ATOM 475 C ARG A 29 8.733 9.000 -1.080 1.00 0.00 C ATOM 476 O ARG A 29 8.793 9.710 -2.071 1.00 0.00 O ATOM 477 CB ARG A 29 7.836 10.185 0.992 1.00 0.00 C ATOM 478 CG ARG A 29 7.935 11.658 0.554 1.00 0.00 C ATOM 479 CD ARG A 29 8.330 12.596 1.711 1.00 0.00 C ATOM 480 NE ARG A 29 7.288 12.510 2.801 1.00 0.00 N ATOM 481 CZ ARG A 29 7.568 12.508 4.144 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.850 12.603 4.602 1.00 0.00 N ATOM 483 NH2 ARG A 29 6.542 12.406 5.040 1.00 0.00 N ATOM 0 H ARG A 29 7.187 8.041 1.661 1.00 0.00 H new ATOM 0 HA ARG A 29 6.724 9.359 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.050 10.113 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.772 9.920 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.669 11.746 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.976 11.976 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.308 12.316 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.413 13.622 1.351 1.00 0.00 H new ATOM 0 HE ARG A 29 6.310 12.449 2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.623 12.677 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.035 12.600 5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.580 12.332 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.738 12.403 6.041 1.00 0.00 H new ATOM 497 N SER A 30 9.696 8.094 -0.776 1.00 0.00 N ATOM 498 CA SER A 30 10.924 7.737 -1.525 1.00 0.00 C ATOM 499 C SER A 30 10.697 6.819 -2.718 1.00 0.00 C ATOM 500 O SER A 30 11.032 7.155 -3.855 1.00 0.00 O ATOM 501 CB SER A 30 11.933 7.073 -0.535 1.00 0.00 C ATOM 502 OG SER A 30 13.277 6.890 -0.989 1.00 0.00 O ATOM 0 H SER A 30 9.624 7.544 0.080 1.00 0.00 H new ATOM 0 HA SER A 30 11.315 8.664 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.963 7.678 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.537 6.097 -0.254 1.00 0.00 H new ATOM 0 HG SER A 30 13.807 6.469 -0.281 1.00 0.00 H new ATOM 508 N HIS A 31 10.007 5.656 -2.456 1.00 0.00 N ATOM 509 CA HIS A 31 9.511 4.606 -3.342 1.00 0.00 C ATOM 510 C HIS A 31 8.589 5.191 -4.405 1.00 0.00 C ATOM 511 O HIS A 31 8.613 4.798 -5.560 1.00 0.00 O ATOM 512 CB HIS A 31 8.720 3.538 -2.494 1.00 0.00 C ATOM 513 CG HIS A 31 9.348 2.172 -2.277 1.00 0.00 C ATOM 514 ND1 HIS A 31 10.394 1.527 -2.870 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 8.754 1.225 -1.463 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 10.451 0.205 -2.452 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 9.453 0.073 -1.604 1.00 0.00 N flip ATOM 0 H HIS A 31 9.770 5.431 -1.490 1.00 0.00 H new ATOM 0 HA HIS A 31 10.360 4.135 -3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.525 3.972 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.753 3.385 -2.973 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.044 1.957 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.891 1.376 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.160 -0.551 -2.756 1.00 0.00 H new ATOM 525 N ASN A 32 7.769 6.195 -4.007 1.00 0.00 N ATOM 526 CA ASN A 32 6.795 6.898 -4.831 1.00 0.00 C ATOM 527 C ASN A 32 7.332 7.763 -5.973 1.00 0.00 C ATOM 528 O ASN A 32 6.766 7.723 -7.064 1.00 0.00 O ATOM 529 CB ASN A 32 5.832 7.726 -3.919 1.00 0.00 C ATOM 530 CG ASN A 32 4.688 6.814 -3.493 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.572 6.950 -3.988 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.972 5.838 -2.597 1.00 0.00 N ATOM 0 H ASN A 32 7.782 6.543 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 32 6.269 6.100 -5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.364 8.103 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.448 8.593 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.246 5.182 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.912 5.759 -2.209 1.00 0.00 H new ATOM 539 N GLU A 33 8.466 8.512 -5.785 1.00 0.00 N ATOM 540 CA GLU A 33 9.141 9.349 -6.798 1.00 0.00 C ATOM 541 C GLU A 33 9.849 8.520 -7.872 1.00 0.00 C ATOM 542 O GLU A 33 9.893 8.812 -9.066 1.00 0.00 O ATOM 543 CB GLU A 33 10.189 10.290 -6.159 1.00 0.00 C ATOM 544 CG GLU A 33 9.676 11.109 -4.966 1.00 0.00 C ATOM 545 CD GLU A 33 8.310 11.744 -5.229 1.00 0.00 C ATOM 546 OE1 GLU A 33 8.210 12.567 -6.178 1.00 0.00 O ATOM 547 OE2 GLU A 33 7.350 11.417 -4.480 1.00 0.00 O ATOM 0 H GLU A 33 8.942 8.541 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 33 8.345 9.932 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.041 9.694 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.554 10.976 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.610 10.464 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.397 11.892 -4.731 1.00 0.00 H new ATOM 554 N ALA A 34 10.379 7.382 -7.382 1.00 0.00 N ATOM 555 CA ALA A 34 10.994 6.284 -8.098 1.00 0.00 C ATOM 556 C ALA A 34 9.987 5.413 -8.880 1.00 0.00 C ATOM 557 O ALA A 34 10.316 4.747 -9.862 1.00 0.00 O ATOM 558 CB ALA A 34 11.794 5.471 -7.053 1.00 0.00 C ATOM 0 H ALA A 34 10.379 7.207 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 34 11.651 6.673 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.280 4.627 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.550 6.110 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.117 5.102 -6.283 1.00 0.00 H new ATOM 564 N CYS A 35 8.702 5.357 -8.415 1.00 0.00 N ATOM 565 CA CYS A 35 7.616 4.537 -8.968 1.00 0.00 C ATOM 566 C CYS A 35 7.019 5.052 -10.262 1.00 0.00 C ATOM 567 O CYS A 35 6.683 4.261 -11.131 1.00 0.00 O ATOM 568 CB CYS A 35 6.551 4.265 -7.873 1.00 0.00 C ATOM 569 SG CYS A 35 5.356 2.917 -8.161 1.00 0.00 S ATOM 0 H CYS A 35 8.399 5.909 -7.613 1.00 0.00 H new ATOM 0 HA CYS A 35 8.063 3.589 -9.267 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.076 4.053 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.987 5.185 -7.719 1.00 0.00 H new ATOM 0 HG CYS A 35 4.821 2.563 -7.031 1.00 0.00 H new ATOM 575 N GLN A 36 6.940 6.397 -10.445 1.00 0.00 N ATOM 576 CA GLN A 36 6.453 7.135 -11.621 1.00 0.00 C ATOM 577 C GLN A 36 7.324 6.985 -12.864 1.00 0.00 C ATOM 578 O GLN A 36 6.952 7.323 -13.972 1.00 0.00 O ATOM 579 CB GLN A 36 6.104 8.624 -11.311 1.00 0.00 C ATOM 580 CG GLN A 36 7.207 9.574 -10.804 1.00 0.00 C ATOM 581 CD GLN A 36 8.198 10.013 -11.892 1.00 0.00 C ATOM 582 OE1 GLN A 36 7.882 10.769 -12.821 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.456 9.535 -11.724 1.00 0.00 N ATOM 0 H GLN A 36 7.242 7.036 -9.709 1.00 0.00 H new ATOM 0 HA GLN A 36 5.513 6.644 -11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.692 9.059 -12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.306 8.624 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.740 10.460 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.757 9.081 -10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.666 8.915 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.192 9.796 -12.380 1.00 0.00 H new ATOM 592 N GLU A 37 8.545 6.449 -12.665 1.00 0.00 N ATOM 593 CA GLU A 37 9.566 6.148 -13.672 1.00 0.00 C ATOM 594 C GLU A 37 9.390 4.739 -14.230 1.00 0.00 C ATOM 595 O GLU A 37 9.863 4.377 -15.305 1.00 0.00 O ATOM 596 CB GLU A 37 10.970 6.369 -13.033 1.00 0.00 C ATOM 597 CG GLU A 37 11.838 5.145 -12.652 1.00 0.00 C ATOM 598 CD GLU A 37 12.751 4.701 -13.798 1.00 0.00 C ATOM 599 OE1 GLU A 37 13.555 5.545 -14.276 1.00 0.00 O ATOM 600 OE2 GLU A 37 12.666 3.510 -14.202 1.00 0.00 O ATOM 0 H GLU A 37 8.860 6.200 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 37 9.463 6.819 -14.524 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.551 6.978 -13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.827 6.962 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.445 5.390 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.189 4.317 -12.366 1.00 0.00 H new ATOM 607 N ASN A 38 8.701 3.904 -13.429 1.00 0.00 N ATOM 608 CA ASN A 38 8.392 2.520 -13.619 1.00 0.00 C ATOM 609 C ASN A 38 6.906 2.435 -13.879 1.00 0.00 C ATOM 610 O ASN A 38 6.191 3.435 -13.942 1.00 0.00 O ATOM 611 CB ASN A 38 8.830 1.751 -12.343 1.00 0.00 C ATOM 612 CG ASN A 38 10.253 1.254 -12.566 1.00 0.00 C ATOM 613 OD1 ASN A 38 10.476 0.387 -13.408 1.00 0.00 O ATOM 614 ND2 ASN A 38 11.242 1.790 -11.817 1.00 0.00 N ATOM 0 H ASN A 38 8.318 4.243 -12.547 1.00 0.00 H new ATOM 0 HA ASN A 38 8.916 2.071 -14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.785 2.402 -11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.158 0.914 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.204 1.476 -11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.026 2.508 -11.126 1.00 0.00 H new ATOM 621 N LYS A 39 6.420 1.173 -14.034 1.00 0.00 N ATOM 622 CA LYS A 39 5.022 0.787 -14.199 1.00 0.00 C ATOM 623 C LYS A 39 4.281 0.981 -12.892 1.00 0.00 C ATOM 624 O LYS A 39 3.435 1.849 -12.754 1.00 0.00 O ATOM 625 CB LYS A 39 4.928 -0.632 -14.824 1.00 0.00 C ATOM 626 CG LYS A 39 3.531 -1.283 -14.874 1.00 0.00 C ATOM 627 CD LYS A 39 3.364 -2.333 -13.765 1.00 0.00 C ATOM 628 CE LYS A 39 3.964 -3.692 -14.151 1.00 0.00 C ATOM 629 NZ LYS A 39 3.628 -4.729 -13.153 1.00 0.00 N ATOM 0 H LYS A 39 7.042 0.365 -14.045 1.00 0.00 H new ATOM 0 HA LYS A 39 4.514 1.435 -14.913 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.314 -0.580 -15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.590 -1.293 -14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.765 -0.514 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.380 -1.751 -15.847 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.842 -1.974 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.304 -2.457 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.591 -3.992 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.047 -3.603 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.501 -5.187 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.139 -4.290 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.008 -5.441 -13.588 1.00 0.00 H new ATOM 643 N ASP A 40 4.666 0.212 -11.875 1.00 0.00 N ATOM 644 CA ASP A 40 4.399 0.387 -10.476 1.00 0.00 C ATOM 645 C ASP A 40 5.685 -0.309 -10.101 1.00 0.00 C ATOM 646 O ASP A 40 5.879 -1.413 -10.587 1.00 0.00 O ATOM 647 CB ASP A 40 3.094 -0.233 -9.857 1.00 0.00 C ATOM 648 CG ASP A 40 2.584 -1.546 -10.461 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.311 -2.565 -10.384 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.439 -1.555 -10.986 1.00 0.00 O ATOM 0 H ASP A 40 5.225 -0.625 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 40 4.184 1.399 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.270 -0.397 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.298 0.507 -9.938 1.00 0.00 H new ATOM 655 N LEU A 41 6.662 0.227 -9.349 1.00 0.00 N ATOM 656 CA LEU A 41 7.913 -0.519 -9.067 1.00 0.00 C ATOM 657 C LEU A 41 7.790 -1.782 -8.186 1.00 0.00 C ATOM 658 O LEU A 41 8.587 -2.706 -8.285 1.00 0.00 O ATOM 659 CB LEU A 41 9.115 0.372 -8.700 1.00 0.00 C ATOM 660 CG LEU A 41 8.985 1.195 -7.415 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.337 0.419 -6.154 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.917 2.382 -7.513 1.00 0.00 C ATOM 0 H LEU A 41 6.618 1.156 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 41 8.139 -0.937 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.997 -0.263 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.298 1.057 -9.528 1.00 0.00 H new ATOM 0 HG LEU A 41 7.939 1.489 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.222 1.066 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.673 -0.440 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.369 0.074 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.839 2.982 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.942 2.031 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.642 2.990 -8.375 1.00 0.00 H new ATOM 674 N GLN A 42 6.755 -1.809 -7.319 1.00 0.00 N ATOM 675 CA GLN A 42 6.263 -2.737 -6.336 1.00 0.00 C ATOM 676 C GLN A 42 5.089 -3.657 -6.573 1.00 0.00 C ATOM 677 O GLN A 42 4.367 -3.666 -5.581 1.00 0.00 O ATOM 678 CB GLN A 42 6.411 -2.232 -4.901 1.00 0.00 C ATOM 679 CG GLN A 42 7.141 -3.209 -3.942 1.00 0.00 C ATOM 680 CD GLN A 42 8.572 -3.610 -4.324 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.261 -2.670 -5.002 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 9.011 -4.722 -4.033 1.00 0.00 N flip ATOM 0 H GLN A 42 6.137 -0.998 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 42 6.989 -3.522 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.954 -1.287 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.419 -2.023 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.168 -2.756 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.543 -4.117 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.428 -5.381 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.958 -4.985 -4.308 1.00 0.00 H new ATOM 691 N PRO A 43 4.682 -4.358 -7.686 1.00 0.00 N ATOM 692 CA PRO A 43 3.333 -4.896 -8.009 1.00 0.00 C ATOM 693 C PRO A 43 2.472 -5.529 -6.870 1.00 0.00 C ATOM 694 O PRO A 43 1.254 -5.424 -6.967 1.00 0.00 O ATOM 695 CB PRO A 43 3.668 -5.950 -9.085 1.00 0.00 C ATOM 696 CG PRO A 43 4.819 -5.325 -9.880 1.00 0.00 C ATOM 697 CD PRO A 43 5.564 -4.466 -8.847 1.00 0.00 C ATOM 0 HA PRO A 43 2.682 -4.069 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.964 -6.898 -8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.808 -6.154 -9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.469 -6.088 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.449 -4.721 -10.709 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.513 -4.926 -8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.793 -3.481 -9.254 1.00 0.00 H new ATOM 705 N TYR A 44 3.103 -6.047 -5.778 1.00 0.00 N ATOM 706 CA TYR A 44 2.551 -6.333 -4.469 1.00 0.00 C ATOM 707 C TYR A 44 3.746 -6.297 -3.490 1.00 0.00 C ATOM 708 O TYR A 44 4.894 -6.498 -3.890 1.00 0.00 O ATOM 709 CB TYR A 44 1.869 -7.744 -4.361 1.00 0.00 C ATOM 710 CG TYR A 44 0.549 -7.843 -5.130 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.636 -7.372 -4.571 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.469 -8.396 -6.410 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.839 -7.463 -5.246 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.733 -8.465 -7.094 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.888 -7.995 -6.512 1.00 0.00 C ATOM 716 OH TYR A 44 -3.111 -8.036 -7.211 1.00 0.00 O ATOM 0 H TYR A 44 4.094 -6.287 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 44 1.773 -5.601 -4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.557 -8.501 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.687 -7.972 -3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.615 -6.925 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.365 -8.778 -6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.746 -7.114 -4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.764 -8.889 -8.087 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.971 -8.442 -8.092 1.00 0.00 H new ATOM 726 N MET A 45 3.461 -6.047 -2.183 1.00 0.00 N ATOM 727 CA MET A 45 4.377 -5.986 -1.018 1.00 0.00 C ATOM 728 C MET A 45 3.618 -6.491 0.219 1.00 0.00 C ATOM 729 O MET A 45 2.507 -6.007 0.408 1.00 0.00 O ATOM 730 CB MET A 45 5.011 -4.583 -0.625 1.00 0.00 C ATOM 731 CG MET A 45 4.806 -3.378 -1.572 1.00 0.00 C ATOM 732 SD MET A 45 3.639 -2.084 -1.063 1.00 0.00 S ATOM 733 CE MET A 45 4.762 -1.170 0.028 1.00 0.00 C ATOM 0 H MET A 45 2.499 -5.868 -1.896 1.00 0.00 H new ATOM 0 HA MET A 45 5.223 -6.596 -1.335 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.616 -4.305 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.085 -4.729 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.777 -2.909 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.477 -3.764 -2.537 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.247 -0.923 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.634 -1.785 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.081 -0.252 -0.465 1.00 0.00 H new ATOM 743 N PRO A 46 4.036 -7.389 1.139 1.00 0.00 N ATOM 744 CA PRO A 46 3.219 -7.820 2.304 1.00 0.00 C ATOM 745 C PRO A 46 3.065 -6.708 3.378 1.00 0.00 C ATOM 746 O PRO A 46 3.820 -5.739 3.344 1.00 0.00 O ATOM 747 CB PRO A 46 4.083 -8.998 2.840 1.00 0.00 C ATOM 748 CG PRO A 46 5.540 -8.654 2.476 1.00 0.00 C ATOM 749 CD PRO A 46 5.351 -8.037 1.087 1.00 0.00 C ATOM 0 HA PRO A 46 2.191 -8.074 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.966 -9.109 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.780 -9.942 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.988 -7.954 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.179 -9.536 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.138 -7.317 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.386 -8.799 0.308 1.00 0.00 H new ATOM 757 N ILE A 47 2.153 -6.834 4.400 1.00 0.00 N ATOM 758 CA ILE A 47 2.015 -5.914 5.578 1.00 0.00 C ATOM 759 C ILE A 47 3.356 -5.794 6.368 1.00 0.00 C ATOM 760 O ILE A 47 3.810 -4.698 6.687 1.00 0.00 O ATOM 761 CB ILE A 47 0.736 -6.115 6.415 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.490 -6.076 5.463 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.630 -5.062 7.549 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.841 -5.963 6.184 1.00 0.00 C ATOM 0 H ILE A 47 1.478 -7.599 4.425 1.00 0.00 H new ATOM 0 HA ILE A 47 1.833 -4.915 5.182 1.00 0.00 H new ATOM 0 HB ILE A 47 0.769 -7.086 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.382 -5.231 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.491 -6.979 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.283 -5.232 8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.493 -5.150 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.606 -4.062 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.645 -5.942 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.975 -6.821 6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.864 -5.046 6.773 1.00 0.00 H new ATOM 776 N PRO A 48 4.056 -6.907 6.650 1.00 0.00 N ATOM 777 CA PRO A 48 5.481 -7.018 6.858 1.00 0.00 C ATOM 778 C PRO A 48 6.466 -6.398 5.839 1.00 0.00 C ATOM 779 O PRO A 48 7.624 -6.415 6.186 1.00 0.00 O ATOM 780 CB PRO A 48 5.788 -8.335 7.571 1.00 0.00 C ATOM 781 CG PRO A 48 4.404 -8.902 7.868 1.00 0.00 C ATOM 782 CD PRO A 48 3.494 -8.245 6.815 1.00 0.00 C ATOM 0 HA PRO A 48 5.787 -6.231 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.372 -9.007 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.362 -8.174 8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.392 -9.989 7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.082 -8.658 8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.503 -8.800 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.458 -8.204 7.152 1.00 0.00 H new ATOM 790 N HIS A 49 6.234 -5.930 4.555 1.00 0.00 N ATOM 791 CA HIS A 49 7.310 -5.305 3.683 1.00 0.00 C ATOM 792 C HIS A 49 8.032 -4.155 4.376 1.00 0.00 C ATOM 793 O HIS A 49 9.241 -3.991 4.274 1.00 0.00 O ATOM 794 CB HIS A 49 6.765 -4.613 2.351 1.00 0.00 C ATOM 795 CG HIS A 49 7.491 -3.374 1.722 1.00 0.00 C ATOM 796 ND1 HIS A 49 7.345 -2.081 2.210 1.00 0.00 N ATOM 797 CD2 HIS A 49 8.520 -3.289 0.828 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.300 -1.308 1.639 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.013 -1.989 0.768 1.00 0.00 N ATOM 0 H HIS A 49 5.320 -5.973 4.105 1.00 0.00 H new ATOM 0 HA HIS A 49 7.947 -6.163 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.731 -5.385 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.736 -4.313 2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.899 -4.117 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.456 -0.265 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.766 -1.639 0.176 1.00 0.00 H new ATOM 807 N VAL A 50 7.239 -3.393 5.166 1.00 0.00 N ATOM 808 CA VAL A 50 7.618 -2.314 6.070 1.00 0.00 C ATOM 809 C VAL A 50 8.438 -2.858 7.287 1.00 0.00 C ATOM 810 O VAL A 50 9.415 -2.244 7.723 1.00 0.00 O ATOM 811 CB VAL A 50 6.456 -1.354 6.263 1.00 0.00 C ATOM 812 CG1 VAL A 50 6.923 -0.102 7.007 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.940 -0.908 4.866 1.00 0.00 C ATOM 0 H VAL A 50 6.230 -3.542 5.178 1.00 0.00 H new ATOM 0 HA VAL A 50 8.361 -1.637 5.648 1.00 0.00 H new ATOM 0 HB VAL A 50 5.675 -1.856 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.081 0.578 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.318 -0.385 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.703 0.394 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.105 -0.218 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.744 -0.411 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.609 -1.782 4.305 1.00 0.00 H new ATOM 823 N ARG A 51 8.163 -4.129 7.769 1.00 0.00 N ATOM 824 CA ARG A 51 9.071 -4.960 8.622 1.00 0.00 C ATOM 825 C ARG A 51 10.497 -5.124 8.045 1.00 0.00 C ATOM 826 O ARG A 51 11.481 -5.107 8.780 1.00 0.00 O ATOM 827 CB ARG A 51 8.550 -6.386 8.981 1.00 0.00 C ATOM 828 CG ARG A 51 9.401 -7.299 9.896 1.00 0.00 C ATOM 829 CD ARG A 51 9.218 -8.800 9.596 1.00 0.00 C ATOM 830 NE ARG A 51 9.834 -9.104 8.254 1.00 0.00 N ATOM 831 CZ ARG A 51 10.102 -10.373 7.817 1.00 0.00 C ATOM 832 NH1 ARG A 51 9.818 -11.459 8.592 1.00 0.00 N ATOM 833 NH2 ARG A 51 10.668 -10.549 6.586 1.00 0.00 N ATOM 0 H ARG A 51 7.283 -4.602 7.564 1.00 0.00 H new ATOM 0 HA ARG A 51 9.095 -4.364 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.574 -6.268 9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.389 -6.920 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.453 -7.038 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.136 -7.108 10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.690 -9.401 10.373 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.159 -9.058 9.593 1.00 0.00 H new ATOM 0 HE ARG A 51 10.063 -8.323 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.399 -11.333 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.025 -12.398 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.886 -9.740 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.873 -11.490 6.249 1.00 0.00 H new ATOM 847 N ASP A 52 10.668 -5.198 6.689 1.00 0.00 N ATOM 848 CA ASP A 52 12.014 -5.144 6.078 1.00 0.00 C ATOM 849 C ASP A 52 12.713 -3.739 6.163 1.00 0.00 C ATOM 850 O ASP A 52 13.917 -3.616 5.933 1.00 0.00 O ATOM 851 CB ASP A 52 11.990 -5.674 4.609 1.00 0.00 C ATOM 852 CG ASP A 52 13.362 -6.160 4.116 1.00 0.00 C ATOM 853 OD1 ASP A 52 13.912 -7.108 4.738 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.868 -5.589 3.113 1.00 0.00 O ATOM 0 H ASP A 52 9.903 -5.293 6.021 1.00 0.00 H new ATOM 0 HA ASP A 52 12.630 -5.808 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.275 -6.493 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.634 -4.882 3.950 1.00 0.00 H new ATOM 859 N SER A 53 11.953 -2.640 6.487 1.00 0.00 N ATOM 860 CA SER A 53 12.443 -1.288 6.683 1.00 0.00 C ATOM 861 C SER A 53 12.819 -0.901 8.105 1.00 0.00 C ATOM 862 O SER A 53 13.836 -0.244 8.320 1.00 0.00 O ATOM 863 CB SER A 53 11.395 -0.271 6.254 1.00 0.00 C ATOM 864 OG SER A 53 10.861 -0.607 4.976 1.00 0.00 O ATOM 0 H SER A 53 10.944 -2.708 6.617 1.00 0.00 H new ATOM 0 HA SER A 53 13.351 -1.278 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.593 -0.235 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.839 0.724 6.218 1.00 0.00 H new ATOM 0 HG SER A 53 9.934 -0.296 4.917 1.00 0.00 H new ATOM 870 N LEU A 54 11.936 -1.247 9.113 1.00 0.00 N ATOM 871 CA LEU A 54 11.973 -0.731 10.489 1.00 0.00 C ATOM 872 C LEU A 54 13.184 -1.197 11.299 1.00 0.00 C ATOM 873 O LEU A 54 13.630 -0.476 12.183 1.00 0.00 O ATOM 874 CB LEU A 54 10.613 -0.899 11.298 1.00 0.00 C ATOM 875 CG LEU A 54 9.951 -2.268 11.662 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.521 -2.415 11.134 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.720 -3.494 11.274 1.00 0.00 C ATOM 0 H LEU A 54 11.173 -1.907 8.961 1.00 0.00 H new ATOM 0 HA LEU A 54 12.097 0.342 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.760 -0.376 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.861 -0.342 10.739 1.00 0.00 H new ATOM 0 HG LEU A 54 9.947 -2.218 12.751 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.124 -3.388 11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.895 -1.628 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.524 -2.333 10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.165 -4.382 11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.864 -3.506 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.691 -3.487 11.770 1.00 0.00 H new ATOM 889 N ILE A 55 13.719 -2.395 10.962 1.00 0.00 N ATOM 890 CA ILE A 55 14.930 -3.033 11.501 1.00 0.00 C ATOM 891 C ILE A 55 15.433 -4.000 10.409 1.00 0.00 C ATOM 892 O ILE A 55 14.626 -4.534 9.655 1.00 0.00 O ATOM 893 CB ILE A 55 14.699 -3.728 12.856 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.445 -2.794 14.054 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.832 -4.665 13.309 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.997 -2.964 14.484 1.00 0.00 C ATOM 0 H ILE A 55 13.277 -2.979 10.252 1.00 0.00 H new ATOM 0 HA ILE A 55 15.686 -2.281 11.728 1.00 0.00 H new ATOM 0 HB ILE A 55 13.796 -4.289 12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.118 -3.038 14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.641 -1.758 13.778 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.576 -5.106 14.272 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.966 -5.457 12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.758 -4.097 13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.791 -2.312 15.333 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.338 -2.701 13.656 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.822 -4.001 14.772 1.00 0.00 H new ATOM 908 N GLN A 56 16.774 -4.239 10.294 1.00 0.00 N ATOM 909 CA GLN A 56 17.463 -5.116 9.329 1.00 0.00 C ATOM 910 C GLN A 56 17.731 -6.616 9.673 1.00 0.00 C ATOM 911 O GLN A 56 17.461 -7.432 8.790 1.00 0.00 O ATOM 912 CB GLN A 56 18.785 -4.447 8.816 1.00 0.00 C ATOM 913 CG GLN A 56 18.611 -3.521 7.582 1.00 0.00 C ATOM 914 CD GLN A 56 18.184 -2.080 7.878 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.983 -1.151 7.743 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.888 -1.882 8.234 1.00 0.00 N ATOM 0 H GLN A 56 17.438 -3.786 10.923 1.00 0.00 H new ATOM 0 HA GLN A 56 16.695 -5.202 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.221 -3.867 9.629 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.499 -5.232 8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.554 -3.495 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 56 17.872 -3.969 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.259 -2.679 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.544 -0.936 8.400 1.00 0.00 H new ATOM 925 N PRO A 57 18.310 -7.062 10.819 1.00 0.00 N ATOM 926 CA PRO A 57 18.756 -8.452 11.073 1.00 0.00 C ATOM 927 C PRO A 57 17.639 -9.401 11.545 1.00 0.00 C ATOM 928 O PRO A 57 16.504 -9.313 11.096 1.00 0.00 O ATOM 929 CB PRO A 57 19.771 -8.214 12.217 1.00 0.00 C ATOM 930 CG PRO A 57 19.081 -7.110 13.015 1.00 0.00 C ATOM 931 CD PRO A 57 18.771 -6.157 11.867 1.00 0.00 C ATOM 0 HA PRO A 57 19.136 -8.940 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.933 -9.111 12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.745 -7.901 11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.185 -7.457 13.529 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.730 -6.666 13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.007 -5.429 12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.652 -5.594 11.558 1.00 0.00 H new ATOM 939 N HIS A 58 17.955 -10.303 12.523 1.00 0.00 N ATOM 940 CA HIS A 58 17.116 -11.290 13.214 1.00 0.00 C ATOM 941 C HIS A 58 16.012 -10.692 14.091 1.00 0.00 C ATOM 942 O HIS A 58 14.969 -11.293 14.321 1.00 0.00 O ATOM 943 CB HIS A 58 17.964 -12.354 13.967 1.00 0.00 C ATOM 944 CG HIS A 58 18.804 -11.827 15.099 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.171 -11.637 15.074 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.410 -11.501 16.358 1.00 0.00 C ATOM 947 CE1 HIS A 58 20.530 -11.208 16.311 1.00 0.00 C ATOM 948 NE2 HIS A 58 19.495 -11.111 17.121 1.00 0.00 N ATOM 0 H HIS A 58 18.912 -10.348 12.873 1.00 0.00 H new ATOM 0 HA HIS A 58 16.578 -11.804 12.418 1.00 0.00 H new ATOM 0 HB2 HIS A 58 17.292 -13.117 14.360 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.620 -12.846 13.249 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.391 -11.541 16.713 1.00 0.00 H new ATOM 0 HE1 HIS A 58 21.545 -10.974 16.598 1.00 0.00 H new ATOM 0 HE2 HIS A 58 19.495 -10.814 18.097 1.00 0.00 H new ATOM 956 N ASP A 59 16.239 -9.449 14.588 1.00 0.00 N ATOM 957 CA ASP A 59 15.360 -8.595 15.371 1.00 0.00 C ATOM 958 C ASP A 59 14.417 -7.771 14.503 1.00 0.00 C ATOM 959 O ASP A 59 13.721 -6.918 15.042 1.00 0.00 O ATOM 960 CB ASP A 59 16.173 -7.592 16.244 1.00 0.00 C ATOM 961 CG ASP A 59 17.078 -8.345 17.223 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.536 -9.109 18.064 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.321 -8.155 17.143 1.00 0.00 O ATOM 0 H ASP A 59 17.136 -8.991 14.424 1.00 0.00 H new ATOM 0 HA ASP A 59 14.782 -9.276 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.776 -6.949 15.603 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.491 -6.944 16.795 1.00 0.00 H new ATOM 968 N ARG A 60 14.353 -7.977 13.139 1.00 0.00 N ATOM 969 CA ARG A 60 13.551 -7.266 12.126 1.00 0.00 C ATOM 970 C ARG A 60 12.095 -7.055 12.488 1.00 0.00 C ATOM 971 O ARG A 60 11.552 -5.976 12.344 1.00 0.00 O ATOM 972 CB ARG A 60 13.710 -7.732 10.642 1.00 0.00 C ATOM 973 CG ARG A 60 13.012 -9.039 10.224 1.00 0.00 C ATOM 974 CD ARG A 60 13.644 -10.298 10.833 1.00 0.00 C ATOM 975 NE ARG A 60 12.568 -11.333 11.017 1.00 0.00 N ATOM 976 CZ ARG A 60 12.820 -12.617 11.422 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.095 -13.040 11.656 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.778 -13.482 11.593 1.00 0.00 N ATOM 0 H ARG A 60 14.916 -8.710 12.706 1.00 0.00 H new ATOM 0 HA ARG A 60 14.032 -6.289 12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.341 -6.934 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.775 -7.840 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.964 -8.991 10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.035 -9.121 9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.429 -10.680 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.110 -10.063 11.790 1.00 0.00 H new ATOM 0 HE ARG A 60 11.602 -11.065 10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.877 -12.397 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.267 -13.999 11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.822 -13.170 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.955 -14.440 11.894 1.00 0.00 H new ATOM 992 N LYS A 61 11.447 -8.097 13.069 1.00 0.00 N ATOM 993 CA LYS A 61 10.111 -8.109 13.640 1.00 0.00 C ATOM 994 C LYS A 61 9.892 -7.336 14.929 1.00 0.00 C ATOM 995 O LYS A 61 8.773 -6.956 15.261 1.00 0.00 O ATOM 996 CB LYS A 61 9.228 -9.334 13.289 1.00 0.00 C ATOM 997 CG LYS A 61 8.020 -9.709 14.183 1.00 0.00 C ATOM 998 CD LYS A 61 8.359 -10.325 15.551 1.00 0.00 C ATOM 999 CE LYS A 61 7.128 -10.862 16.297 1.00 0.00 C ATOM 1000 NZ LYS A 61 6.153 -9.781 16.581 1.00 0.00 N ATOM 0 H LYS A 61 11.894 -9.010 13.147 1.00 0.00 H new ATOM 0 HA LYS A 61 9.566 -7.386 13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.846 -9.178 12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.884 -10.204 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.424 -8.812 14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.393 -10.412 13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.072 -11.137 15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.850 -9.573 16.169 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.649 -11.638 15.700 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.441 -11.326 17.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.695 -9.959 17.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.648 -8.867 16.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.432 -9.758 15.832 1.00 0.00 H new ATOM 1014 N LYS A 62 10.938 -7.093 15.747 1.00 0.00 N ATOM 1015 CA LYS A 62 10.866 -6.382 17.023 1.00 0.00 C ATOM 1016 C LYS A 62 10.220 -4.986 17.095 1.00 0.00 C ATOM 1017 O LYS A 62 9.704 -4.601 18.138 1.00 0.00 O ATOM 1018 CB LYS A 62 12.283 -6.349 17.645 1.00 0.00 C ATOM 1019 CG LYS A 62 12.255 -6.237 19.170 1.00 0.00 C ATOM 1020 CD LYS A 62 13.647 -6.271 19.825 1.00 0.00 C ATOM 1021 CE LYS A 62 14.573 -5.139 19.356 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.872 -5.189 20.067 1.00 0.00 N ATOM 0 H LYS A 62 11.884 -7.400 15.522 1.00 0.00 H new ATOM 0 HA LYS A 62 10.141 -6.969 17.587 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.821 -7.253 17.361 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.837 -5.506 17.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.757 -5.308 19.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.655 -7.053 19.573 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.532 -6.211 20.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.119 -7.229 19.607 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.739 -5.221 18.282 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.094 -4.176 19.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.481 -4.414 19.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.712 -5.088 21.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.336 -6.100 19.878 1.00 0.00 H new ATOM 1036 N MET A 63 10.162 -4.226 15.970 1.00 0.00 N ATOM 1037 CA MET A 63 9.341 -3.014 15.879 1.00 0.00 C ATOM 1038 C MET A 63 8.234 -3.189 14.861 1.00 0.00 C ATOM 1039 O MET A 63 7.488 -2.242 14.657 1.00 0.00 O ATOM 1040 CB MET A 63 10.045 -1.615 15.863 1.00 0.00 C ATOM 1041 CG MET A 63 10.737 -1.370 17.228 1.00 0.00 C ATOM 1042 SD MET A 63 11.490 0.257 17.496 1.00 0.00 S ATOM 1043 CE MET A 63 12.791 0.234 16.230 1.00 0.00 C ATOM 0 H MET A 63 10.679 -4.441 15.118 1.00 0.00 H new ATOM 0 HA MET A 63 8.896 -2.936 16.871 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.779 -1.574 15.058 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.314 -0.830 15.667 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.000 -1.535 18.014 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.512 -2.126 17.354 1.00 0.00 H new ATOM 0 HE1 MET A 63 13.267 1.213 16.180 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.536 -0.519 16.488 1.00 0.00 H new ATOM 0 HE3 MET A 63 12.352 -0.006 15.262 1.00 0.00 H new ATOM 1053 N LYS A 64 7.987 -4.426 14.288 1.00 0.00 N ATOM 1054 CA LYS A 64 6.817 -4.758 13.470 1.00 0.00 C ATOM 1055 C LYS A 64 5.565 -4.841 14.384 1.00 0.00 C ATOM 1056 O LYS A 64 4.471 -4.402 14.028 1.00 0.00 O ATOM 1057 CB LYS A 64 7.075 -6.055 12.641 1.00 0.00 C ATOM 1058 CG LYS A 64 5.864 -6.967 12.480 1.00 0.00 C ATOM 1059 CD LYS A 64 5.991 -8.141 11.512 1.00 0.00 C ATOM 1060 CE LYS A 64 4.926 -9.220 11.754 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.168 -10.409 10.903 1.00 0.00 N ATOM 0 H LYS A 64 8.625 -5.214 14.402 1.00 0.00 H new ATOM 0 HA LYS A 64 6.630 -3.974 12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.431 -5.771 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.876 -6.620 13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.610 -7.366 13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.022 -6.355 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.907 -7.775 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.982 -8.584 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.933 -9.513 12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.937 -8.813 11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.276 -10.926 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.537 -10.105 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.861 -11.031 11.365 1.00 0.00 H new ATOM 1075 N LYS A 65 5.769 -5.359 15.632 1.00 0.00 N ATOM 1076 CA LYS A 65 4.781 -5.458 16.718 1.00 0.00 C ATOM 1077 C LYS A 65 4.129 -4.113 17.157 1.00 0.00 C ATOM 1078 O LYS A 65 2.905 -3.980 17.206 1.00 0.00 O ATOM 1079 CB LYS A 65 5.413 -6.206 17.919 1.00 0.00 C ATOM 1080 CG LYS A 65 4.413 -6.774 18.943 1.00 0.00 C ATOM 1081 CD LYS A 65 5.136 -7.575 20.040 1.00 0.00 C ATOM 1082 CE LYS A 65 4.193 -8.234 21.056 1.00 0.00 C ATOM 1083 NZ LYS A 65 3.410 -7.221 21.803 1.00 0.00 N ATOM 0 H LYS A 65 6.677 -5.734 15.908 1.00 0.00 H new ATOM 0 HA LYS A 65 3.943 -6.026 16.314 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.020 -7.026 17.536 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.088 -5.524 18.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.849 -5.958 19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.693 -7.416 18.435 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.744 -8.348 19.570 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.818 -6.911 20.571 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.514 -8.912 20.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.773 -8.836 21.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.820 -7.695 22.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.059 -6.559 22.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.801 -6.697 21.143 1.00 0.00 H new ATOM 1097 N VAL A 66 4.964 -3.043 17.400 1.00 0.00 N ATOM 1098 CA VAL A 66 4.523 -1.652 17.659 1.00 0.00 C ATOM 1099 C VAL A 66 4.093 -0.946 16.384 1.00 0.00 C ATOM 1100 O VAL A 66 3.175 -0.123 16.399 1.00 0.00 O ATOM 1101 CB VAL A 66 5.427 -0.752 18.523 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.844 -0.560 17.936 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.729 0.613 18.825 1.00 0.00 C ATOM 0 H VAL A 66 5.979 -3.143 17.418 1.00 0.00 H new ATOM 0 HA VAL A 66 3.662 -1.810 18.308 1.00 0.00 H new ATOM 0 HB VAL A 66 5.575 -1.275 19.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.427 0.084 18.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.336 -1.529 17.848 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.770 -0.100 16.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.387 1.231 19.436 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.515 1.127 17.888 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.797 0.434 19.362 1.00 0.00 H new ATOM 1113 N TRP A 67 4.715 -1.268 15.213 1.00 0.00 N ATOM 1114 CA TRP A 67 4.379 -0.750 13.888 1.00 0.00 C ATOM 1115 C TRP A 67 2.931 -1.076 13.464 1.00 0.00 C ATOM 1116 O TRP A 67 2.267 -0.238 12.869 1.00 0.00 O ATOM 1117 CB TRP A 67 5.454 -1.165 12.843 1.00 0.00 C ATOM 1118 CG TRP A 67 5.128 -1.089 11.370 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.994 -2.139 10.518 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.667 0.076 10.671 1.00 0.00 C ATOM 1121 NE1 TRP A 67 4.510 -1.698 9.320 1.00 0.00 N ATOM 1122 CE2 TRP A 67 4.275 -0.346 9.405 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.528 1.374 11.069 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.751 0.524 8.502 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.004 2.251 10.152 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.650 1.843 8.882 1.00 0.00 C ATOM 0 H TRP A 67 5.495 -1.925 15.185 1.00 0.00 H new ATOM 0 HA TRP A 67 4.401 0.339 13.940 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.334 -0.545 13.015 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.742 -2.193 13.061 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.234 -3.166 10.753 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.349 -2.277 8.496 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.817 1.696 12.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.427 0.194 7.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.865 3.285 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.287 2.572 8.173 1.00 0.00 H new ATOM 1137 N ASP A 68 2.398 -2.272 13.875 1.00 0.00 N ATOM 1138 CA ASP A 68 1.002 -2.726 13.721 1.00 0.00 C ATOM 1139 C ASP A 68 -0.033 -1.796 14.391 1.00 0.00 C ATOM 1140 O ASP A 68 -1.122 -1.578 13.870 1.00 0.00 O ATOM 1141 CB ASP A 68 0.831 -4.176 14.269 1.00 0.00 C ATOM 1142 CG ASP A 68 -0.380 -4.904 13.666 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -0.403 -5.076 12.418 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -1.287 -5.294 14.447 1.00 0.00 O ATOM 0 H ASP A 68 2.973 -2.971 14.345 1.00 0.00 H new ATOM 0 HA ASP A 68 0.802 -2.702 12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.735 -4.748 14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.724 -4.139 15.353 1.00 0.00 H new ATOM 1149 N ARG A 69 0.338 -1.177 15.541 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.299 -0.025 16.172 1.00 0.00 C ATOM 1151 C ARG A 69 0.058 1.324 15.501 1.00 0.00 C ATOM 1152 O ARG A 69 -0.825 2.074 15.100 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.006 -0.048 17.697 1.00 0.00 C ATOM 1154 CG ARG A 69 -1.190 0.349 18.606 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.537 1.849 18.615 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.753 2.076 19.480 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.041 2.072 19.007 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.305 1.890 17.680 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -5.075 2.261 19.878 1.00 0.00 N ATOM 0 H ARG A 69 1.144 -1.501 16.076 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.376 -0.110 16.026 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.320 -1.051 17.972 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.827 0.625 17.900 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.072 -0.209 18.291 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.964 0.039 19.626 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.694 2.426 18.994 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.729 2.195 17.600 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.609 2.242 20.476 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.538 1.754 17.021 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.269 1.890 17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.886 2.403 20.870 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.036 2.260 19.537 1.00 0.00 H new ATOM 1173 N ALA A 70 1.382 1.672 15.334 1.00 0.00 N ATOM 1174 CA ALA A 70 1.946 2.911 14.746 1.00 0.00 C ATOM 1175 C ALA A 70 1.456 3.264 13.329 1.00 0.00 C ATOM 1176 O ALA A 70 1.212 4.428 13.002 1.00 0.00 O ATOM 1177 CB ALA A 70 3.495 2.968 14.793 1.00 0.00 C ATOM 0 H ALA A 70 2.123 1.038 15.633 1.00 0.00 H new ATOM 0 HA ALA A 70 1.542 3.676 15.409 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.838 3.901 14.346 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.830 2.917 15.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.907 2.126 14.237 1.00 0.00 H new ATOM 1183 N VAL A 71 1.199 2.204 12.506 1.00 0.00 N ATOM 1184 CA VAL A 71 0.541 2.162 11.211 1.00 0.00 C ATOM 1185 C VAL A 71 -0.891 2.653 11.221 1.00 0.00 C ATOM 1186 O VAL A 71 -1.346 3.183 10.213 1.00 0.00 O ATOM 1187 CB VAL A 71 0.649 0.808 10.535 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -0.280 -0.259 11.117 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.403 0.911 9.035 1.00 0.00 C ATOM 0 H VAL A 71 1.489 1.267 12.787 1.00 0.00 H new ATOM 0 HA VAL A 71 1.102 2.878 10.610 1.00 0.00 H new ATOM 0 HB VAL A 71 1.673 0.488 10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.141 -1.196 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.047 -0.409 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.315 0.066 11.017 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.488 -0.077 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.597 1.306 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.141 1.578 8.590 1.00 0.00 H new ATOM 1199 N ASP A 72 -1.649 2.484 12.356 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.039 2.919 12.586 1.00 0.00 C ATOM 1201 C ASP A 72 -3.247 4.425 12.338 1.00 0.00 C ATOM 1202 O ASP A 72 -4.147 4.778 11.582 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.612 2.369 13.938 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.128 2.539 14.121 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -5.572 3.680 14.412 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.857 1.519 13.986 1.00 0.00 O ATOM 0 H ASP A 72 -1.266 2.010 13.174 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.660 2.453 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.369 1.309 14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.104 2.871 14.761 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.370 5.354 12.850 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.435 6.775 12.419 1.00 0.00 C ATOM 1213 C PHE A 73 -2.089 7.016 10.905 1.00 0.00 C ATOM 1214 O PHE A 73 -2.869 7.636 10.179 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.653 7.787 13.289 1.00 0.00 C ATOM 1216 CG PHE A 73 -2.243 9.188 13.121 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -3.479 9.492 13.669 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -1.636 10.141 12.315 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -4.080 10.714 13.446 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -2.230 11.364 12.089 1.00 0.00 C ATOM 1221 CZ PHE A 73 -3.454 11.652 12.653 1.00 0.00 C ATOM 0 H PHE A 73 -1.642 5.145 13.533 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.495 6.979 12.572 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.697 7.488 14.336 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.602 7.790 13.002 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.981 8.759 14.282 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.683 9.921 11.858 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.039 10.935 13.892 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.736 12.097 11.469 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.921 12.609 12.474 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.916 6.483 10.411 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.392 6.500 9.006 1.00 0.00 C ATOM 1233 C LEU A 74 -1.381 5.978 7.950 1.00 0.00 C ATOM 1234 O LEU A 74 -1.696 6.682 6.993 1.00 0.00 O ATOM 1235 CB LEU A 74 0.980 5.744 8.945 1.00 0.00 C ATOM 1236 CG LEU A 74 1.847 5.942 7.675 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.326 5.842 8.082 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.569 4.941 6.537 1.00 0.00 C ATOM 0 H LEU A 74 -0.271 5.997 11.034 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.245 7.547 8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.572 6.049 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.782 4.678 9.055 1.00 0.00 H new ATOM 0 HG LEU A 74 1.588 6.922 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.955 5.978 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.555 6.615 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.518 4.861 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.223 5.159 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.758 3.927 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.529 5.028 6.222 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.956 4.757 8.135 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.014 4.195 7.299 1.00 0.00 C ATOM 1252 C ALA A 75 -4.410 4.862 7.374 1.00 0.00 C ATOM 1253 O ALA A 75 -5.114 4.881 6.367 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.145 2.686 7.583 1.00 0.00 C ATOM 0 H ALA A 75 -1.678 4.134 8.893 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.683 4.402 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.934 2.266 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.201 2.190 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.392 2.534 8.634 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.849 5.451 8.536 1.00 0.00 N ATOM 1261 CA ALA A 76 -6.142 6.110 8.701 1.00 0.00 C ATOM 1262 C ALA A 76 -6.272 7.515 8.093 1.00 0.00 C ATOM 1263 O ALA A 76 -7.360 8.082 8.098 1.00 0.00 O ATOM 1264 CB ALA A 76 -6.505 6.159 10.202 1.00 0.00 C ATOM 0 H ALA A 76 -4.284 5.468 9.385 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.841 5.499 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.470 6.651 10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.561 5.144 10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.741 6.717 10.743 1.00 0.00 H new ATOM 1270 N ASN A 77 -5.173 8.101 7.533 1.00 0.00 N ATOM 1271 CA ASN A 77 -5.161 9.400 6.870 1.00 0.00 C ATOM 1272 C ASN A 77 -5.096 9.272 5.346 1.00 0.00 C ATOM 1273 O ASN A 77 -5.212 10.273 4.646 1.00 0.00 O ATOM 1274 CB ASN A 77 -4.089 10.376 7.461 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.620 9.982 7.263 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.034 10.167 6.197 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -1.962 9.497 8.337 1.00 0.00 N ATOM 0 H ASN A 77 -4.256 7.654 7.541 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.121 9.868 7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.241 11.359 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.273 10.478 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.968 9.279 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.459 9.348 9.215 1.00 0.00 H new ATOM 1284 N GLU A 78 -4.917 8.024 4.834 1.00 0.00 N ATOM 1285 CA GLU A 78 -4.849 7.648 3.423 1.00 0.00 C ATOM 1286 C GLU A 78 -3.465 7.807 2.788 1.00 0.00 C ATOM 1287 O GLU A 78 -3.025 8.889 2.399 1.00 0.00 O ATOM 1288 CB GLU A 78 -5.973 8.249 2.520 1.00 0.00 C ATOM 1289 CG GLU A 78 -6.155 7.594 1.133 1.00 0.00 C ATOM 1290 CD GLU A 78 -6.514 6.114 1.275 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -7.586 5.818 1.868 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -5.722 5.261 0.793 1.00 0.00 O ATOM 0 H GLU A 78 -4.811 7.215 5.446 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.047 6.577 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.918 8.181 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.765 9.309 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.939 8.112 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.237 7.696 0.554 1.00 0.00 H new ATOM 1299 N SER A 79 -2.757 6.658 2.643 1.00 0.00 N ATOM 1300 CA SER A 79 -1.449 6.499 2.014 1.00 0.00 C ATOM 1301 C SER A 79 -1.545 6.184 0.516 1.00 0.00 C ATOM 1302 O SER A 79 -2.587 5.780 0.001 1.00 0.00 O ATOM 1303 CB SER A 79 -0.666 5.348 2.719 1.00 0.00 C ATOM 1304 OG SER A 79 -1.390 4.111 2.758 1.00 0.00 O ATOM 0 H SER A 79 -3.120 5.770 2.989 1.00 0.00 H new ATOM 0 HA SER A 79 -0.928 7.450 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.280 5.191 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.425 5.652 3.738 1.00 0.00 H new ATOM 0 HG SER A 79 -1.358 3.685 1.876 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.423 6.300 -0.255 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.403 6.008 -1.700 1.00 0.00 C ATOM 1312 C ARG A 80 -0.269 4.518 -2.074 1.00 0.00 C ATOM 1313 O ARG A 80 -0.556 4.117 -3.200 1.00 0.00 O ATOM 1314 CB ARG A 80 0.627 6.908 -2.431 1.00 0.00 C ATOM 1315 CG ARG A 80 0.430 7.064 -3.959 1.00 0.00 C ATOM 1316 CD ARG A 80 -0.920 7.673 -4.380 1.00 0.00 C ATOM 1317 NE ARG A 80 -1.030 7.697 -5.883 1.00 0.00 N ATOM 1318 CZ ARG A 80 -0.563 8.712 -6.675 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.119 9.768 -6.142 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -0.788 8.665 -8.020 1.00 0.00 N ATOM 0 H ARG A 80 0.480 6.597 0.115 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.400 6.262 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.599 7.899 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.624 6.504 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.232 7.689 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.531 6.084 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.738 7.091 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.011 8.685 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.482 6.905 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.289 9.811 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.459 10.514 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.299 7.880 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.445 9.415 -8.621 1.00 0.00 H new ATOM 1334 N VAL A 81 0.101 3.652 -1.083 1.00 0.00 N ATOM 1335 CA VAL A 81 0.116 2.191 -1.127 1.00 0.00 C ATOM 1336 C VAL A 81 -1.280 1.734 -0.632 1.00 0.00 C ATOM 1337 O VAL A 81 -1.745 2.204 0.410 1.00 0.00 O ATOM 1338 CB VAL A 81 1.319 1.568 -0.372 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.681 1.761 -1.103 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.409 2.062 1.082 1.00 0.00 C ATOM 0 H VAL A 81 0.415 4.001 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 81 0.280 1.824 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 81 1.120 0.496 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.477 1.300 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.636 1.292 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.885 2.826 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.266 1.599 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.527 3.146 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.498 1.792 1.615 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.013 0.888 -1.421 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.400 0.477 -1.199 1.00 0.00 C ATOM 1352 C ARG A 82 -3.413 -0.902 -0.603 1.00 0.00 C ATOM 1353 O ARG A 82 -2.489 -1.656 -0.876 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.234 0.436 -2.542 1.00 0.00 C ATOM 1355 CG ARG A 82 -4.277 -0.923 -3.306 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.080 -1.016 -4.606 1.00 0.00 C ATOM 1357 NE ARG A 82 -6.465 -0.451 -4.416 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.085 0.380 -5.311 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.423 0.864 -6.401 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -8.388 0.730 -5.105 1.00 0.00 N ATOM 0 H ARG A 82 -1.617 0.466 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.855 1.209 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.259 0.729 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.829 1.191 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.249 -1.206 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.671 -1.674 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.565 -0.472 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.146 -2.056 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.972 -0.703 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.449 0.608 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.902 1.482 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.889 0.373 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.860 1.348 -5.765 1.00 0.00 H new ATOM 1374 N THR A 83 -4.489 -1.302 0.126 1.00 0.00 N ATOM 1375 CA THR A 83 -4.710 -2.649 0.661 1.00 0.00 C ATOM 1376 C THR A 83 -5.543 -3.430 -0.335 1.00 0.00 C ATOM 1377 O THR A 83 -6.668 -3.052 -0.644 1.00 0.00 O ATOM 1378 CB THR A 83 -5.431 -2.711 2.023 1.00 0.00 C ATOM 1379 OG1 THR A 83 -5.833 -1.428 2.483 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.468 -3.320 3.051 1.00 0.00 C ATOM 0 H THR A 83 -5.248 -0.662 0.359 1.00 0.00 H new ATOM 0 HA THR A 83 -3.716 -3.066 0.821 1.00 0.00 H new ATOM 0 HB THR A 83 -6.330 -3.315 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.286 -1.518 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.959 -3.373 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.183 -4.323 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.577 -2.697 3.128 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.022 -4.555 -0.856 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.708 -5.365 -1.849 1.00 0.00 C ATOM 1390 C GLU A 84 -5.852 -6.773 -1.283 1.00 0.00 C ATOM 1391 O GLU A 84 -4.951 -7.254 -0.597 1.00 0.00 O ATOM 1392 CB GLU A 84 -4.899 -5.277 -3.183 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.486 -6.048 -4.386 1.00 0.00 C ATOM 1394 CD GLU A 84 -6.879 -5.518 -4.725 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -6.994 -4.301 -5.032 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -7.848 -6.323 -4.681 1.00 0.00 O ATOM 0 H GLU A 84 -4.107 -4.920 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.716 -5.016 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.808 -4.227 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.890 -5.647 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.829 -5.943 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.540 -7.112 -4.154 1.00 0.00 H new ATOM 1403 N THR A 85 -6.992 -7.480 -1.534 1.00 0.00 N ATOM 1404 CA THR A 85 -7.207 -8.854 -1.079 1.00 0.00 C ATOM 1405 C THR A 85 -6.881 -9.774 -2.256 1.00 0.00 C ATOM 1406 O THR A 85 -7.582 -9.799 -3.267 1.00 0.00 O ATOM 1407 CB THR A 85 -8.627 -9.085 -0.554 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.022 -8.034 0.320 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.706 -10.403 0.238 1.00 0.00 C ATOM 0 H THR A 85 -7.778 -7.098 -2.059 1.00 0.00 H new ATOM 0 HA THR A 85 -6.556 -9.068 -0.232 1.00 0.00 H new ATOM 0 HB THR A 85 -9.287 -9.122 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.932 -8.201 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.723 -10.548 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.431 -11.234 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.020 -10.361 1.084 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.773 -10.547 -2.173 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.277 -11.352 -3.263 1.00 0.00 C ATOM 1419 C ARG A 86 -4.774 -12.652 -2.678 1.00 0.00 C ATOM 1420 O ARG A 86 -4.258 -12.654 -1.562 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.130 -10.546 -3.933 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.440 -11.202 -5.138 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.367 -11.376 -6.351 1.00 0.00 C ATOM 1424 NE ARG A 86 -3.581 -11.999 -7.477 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.608 -13.334 -7.788 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.399 -14.207 -7.102 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -2.825 -13.797 -8.808 1.00 0.00 N ATOM 0 H ARG A 86 -5.207 -10.615 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.039 -11.579 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.531 -9.584 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.372 -10.340 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.582 -10.597 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.056 -12.178 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.217 -12.007 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.769 -10.411 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.992 -11.388 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.987 -13.871 -6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.403 -15.196 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.230 -13.152 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.836 -14.788 -9.050 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.905 -13.781 -3.435 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.469 -15.133 -3.107 1.00 0.00 C ATOM 1443 C ARG A 87 -3.007 -15.370 -3.494 1.00 0.00 C ATOM 1444 O ARG A 87 -2.635 -15.205 -4.651 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.425 -16.147 -3.802 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.139 -17.661 -3.647 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.309 -18.253 -4.805 1.00 0.00 C ATOM 1448 NE ARG A 87 -4.319 -19.752 -4.713 1.00 0.00 N ATOM 1449 CZ ARG A 87 -3.608 -20.559 -5.560 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -2.851 -20.031 -6.565 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -3.656 -21.914 -5.391 1.00 0.00 N ATOM 0 H ARG A 87 -5.352 -13.745 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.518 -15.275 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.432 -15.961 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.432 -15.919 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.610 -17.828 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.086 -18.196 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.721 -17.934 -5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.285 -17.882 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.883 -20.190 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.809 -19.020 -6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.328 -20.647 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.218 -22.315 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.130 -22.525 -6.016 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.130 -15.770 -2.538 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.711 -16.038 -2.760 1.00 0.00 C ATOM 1467 C ILE A 88 -0.381 -17.313 -2.017 1.00 0.00 C ATOM 1468 O ILE A 88 -0.635 -17.424 -0.820 1.00 0.00 O ATOM 1469 CB ILE A 88 0.243 -14.894 -2.364 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.121 -14.145 -1.046 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.319 -13.951 -3.580 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.008 -12.905 -1.229 1.00 0.00 C ATOM 0 H ILE A 88 -2.412 -15.915 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.551 -16.136 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 88 1.217 -15.319 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.629 -14.841 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.802 -13.843 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.985 -13.118 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.702 -14.498 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.676 -13.568 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.206 -12.453 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.498 -12.184 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.950 -13.197 -1.693 1.00 0.00 H new ATOM 1484 N GLY A 89 0.151 -18.355 -2.733 1.00 0.00 N ATOM 1485 CA GLY A 89 0.524 -19.692 -2.163 1.00 0.00 C ATOM 1486 C GLY A 89 -0.631 -20.499 -1.606 1.00 0.00 C ATOM 1487 O GLY A 89 -0.460 -21.324 -0.716 1.00 0.00 O ATOM 0 H GLY A 89 0.335 -18.288 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.014 -20.277 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.256 -19.540 -1.370 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.855 -20.227 -2.116 1.00 0.00 N ATOM 1492 CA GLY A 90 -3.112 -20.809 -1.626 1.00 0.00 C ATOM 1493 C GLY A 90 -3.846 -19.991 -0.583 1.00 0.00 C ATOM 1494 O GLY A 90 -4.882 -20.447 -0.111 1.00 0.00 O ATOM 0 H GLY A 90 -1.992 -19.583 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.777 -20.963 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.898 -21.792 -1.207 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.377 -18.780 -0.162 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.047 -18.046 0.900 1.00 0.00 C ATOM 1500 C ALA A 91 -4.210 -16.589 0.505 1.00 0.00 C ATOM 1501 O ALA A 91 -3.295 -15.981 -0.043 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.229 -18.178 2.199 1.00 0.00 C ATOM 0 H ALA A 91 -2.553 -18.318 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.041 -18.461 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.726 -17.630 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.150 -19.230 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.231 -17.768 2.044 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.405 -15.996 0.766 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.821 -14.645 0.475 1.00 0.00 C ATOM 1510 C ASP A 92 -5.601 -13.699 1.662 1.00 0.00 C ATOM 1511 O ASP A 92 -6.169 -13.899 2.732 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.295 -14.656 -0.037 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.324 -15.280 0.923 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.317 -16.529 1.087 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.141 -14.506 1.490 1.00 0.00 O ATOM 0 H ASP A 92 -6.150 -16.519 1.226 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.191 -14.244 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.596 -13.630 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.329 -15.199 -0.982 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.746 -12.662 1.516 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.399 -11.734 2.582 1.00 0.00 C ATOM 1522 C PHE A 93 -4.672 -10.344 2.074 1.00 0.00 C ATOM 1523 O PHE A 93 -4.880 -10.138 0.876 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.872 -11.799 2.943 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.474 -13.196 3.364 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -3.053 -13.813 4.463 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.524 -13.901 2.642 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.718 -15.112 4.801 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.190 -15.196 2.972 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.789 -15.806 4.051 1.00 0.00 C ATOM 0 H PHE A 93 -4.277 -12.455 0.634 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.981 -11.992 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.278 -11.491 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.655 -11.097 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.773 -13.274 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.036 -13.426 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.184 -15.584 5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.459 -15.732 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.534 -16.823 4.310 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.566 -9.335 2.987 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.582 -7.924 2.661 1.00 0.00 C ATOM 1542 C LEU A 94 -3.103 -7.582 2.485 1.00 0.00 C ATOM 1543 O LEU A 94 -2.311 -7.601 3.425 1.00 0.00 O ATOM 1544 CB LEU A 94 -5.317 -7.105 3.758 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.826 -6.960 3.421 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.715 -7.021 4.682 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -7.188 -5.685 2.636 1.00 0.00 C ATOM 0 H LEU A 94 -4.466 -9.511 3.987 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.141 -7.677 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.201 -7.597 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.863 -6.118 3.846 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.024 -7.816 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.761 -6.915 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.571 -7.978 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.441 -6.212 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.261 -5.668 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.909 -4.807 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.651 -5.677 1.688 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.711 -7.315 1.221 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.352 -7.027 0.776 1.00 0.00 C ATOM 1561 C VAL A 95 -1.354 -5.522 0.600 1.00 0.00 C ATOM 1562 O VAL A 95 -2.391 -4.953 0.257 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.038 -7.657 -0.620 1.00 0.00 C ATOM 1564 CG1 VAL A 95 0.407 -8.177 -0.652 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.921 -8.873 -0.997 1.00 0.00 C ATOM 0 H VAL A 95 -3.379 -7.296 0.450 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.619 -7.420 1.481 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.229 -6.848 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.615 -8.614 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.095 -7.351 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.538 -8.935 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.631 -9.242 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.786 -9.663 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.968 -8.570 -1.018 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.186 -4.855 0.675 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.179 -3.443 0.222 1.00 0.00 C ATOM 1577 C TRP A 96 0.433 -3.483 -1.199 1.00 0.00 C ATOM 1578 O TRP A 96 1.266 -4.332 -1.506 1.00 0.00 O ATOM 1579 CB TRP A 96 0.732 -2.539 1.092 1.00 0.00 C ATOM 1580 CG TRP A 96 0.234 -2.192 2.488 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.964 -1.692 2.927 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.109 -2.201 3.623 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.894 -1.421 4.284 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.385 -1.723 4.714 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.414 -2.571 3.738 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.963 -1.617 5.949 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.987 -2.464 4.976 1.00 0.00 C ATOM 1588 CH2 TRP A 96 2.285 -2.002 6.071 1.00 0.00 C ATOM 0 H TRP A 96 0.700 -5.228 1.015 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.189 -3.035 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.700 -3.029 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 96 0.900 -1.608 0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.834 -1.533 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.652 -1.062 4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.973 -2.934 2.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.407 -1.246 6.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.021 -2.750 5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.773 -1.941 7.032 1.00 0.00 H new ATOM 1599 N ARG A 97 0.052 -2.584 -2.132 1.00 0.00 N ATOM 1600 CA ARG A 97 0.687 -2.543 -3.450 1.00 0.00 C ATOM 1601 C ARG A 97 0.524 -1.129 -3.881 1.00 0.00 C ATOM 1602 O ARG A 97 -0.393 -0.461 -3.395 1.00 0.00 O ATOM 1603 CB ARG A 97 0.081 -3.501 -4.528 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.147 -2.980 -5.322 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.827 -4.026 -6.220 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.704 -3.322 -7.229 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.233 -2.772 -8.395 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -0.920 -2.883 -8.751 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -3.091 -2.093 -9.212 1.00 0.00 N ATOM 0 H ARG A 97 -0.682 -1.890 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 97 1.718 -2.887 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.867 -3.748 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.204 -4.430 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.882 -2.596 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.832 -2.140 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.075 -4.627 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.424 -4.709 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.702 -3.251 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.268 -3.382 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.591 -2.467 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.073 -1.998 -8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.750 -1.681 -10.080 1.00 0.00 H new ATOM 1623 N TRP A 98 1.392 -0.570 -4.773 1.00 0.00 N ATOM 1624 CA TRP A 98 1.227 0.842 -5.180 1.00 0.00 C ATOM 1625 C TRP A 98 1.065 1.373 -6.569 1.00 0.00 C ATOM 1626 O TRP A 98 1.646 0.881 -7.523 1.00 0.00 O ATOM 1627 CB TRP A 98 1.702 1.878 -4.169 1.00 0.00 C ATOM 1628 CG TRP A 98 3.041 2.445 -4.367 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.339 3.709 -4.733 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.270 1.758 -4.192 1.00 0.00 C ATOM 1631 NE1 TRP A 98 4.618 3.742 -5.163 1.00 0.00 N ATOM 1632 CE2 TRP A 98 5.238 2.591 -4.715 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.565 0.546 -3.650 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 6.527 2.186 -4.753 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.889 0.333 -3.373 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.853 1.088 -3.995 1.00 0.00 C ATOM 0 H TRP A 98 2.178 -1.057 -5.204 1.00 0.00 H new ATOM 0 HA TRP A 98 0.171 0.573 -5.214 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.985 2.699 -4.165 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.671 1.423 -3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 98 2.667 4.553 -4.689 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.049 4.482 -5.718 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.807 -0.197 -3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.265 2.701 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 6.176 -0.430 -2.664 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.891 0.812 -3.886 1.00 0.00 H new ATOM 1647 N ILE A 99 0.259 2.469 -6.662 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.011 3.286 -7.826 1.00 0.00 C ATOM 1649 C ILE A 99 0.867 4.551 -7.738 1.00 0.00 C ATOM 1650 O ILE A 99 1.269 4.974 -6.659 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.511 3.589 -7.915 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.097 4.216 -6.611 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.209 2.267 -8.304 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.003 3.311 -5.756 1.00 0.00 C ATOM 0 H ILE A 99 -0.248 2.810 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 99 0.245 2.765 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.689 4.355 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.265 4.549 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.665 5.104 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.284 2.432 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.826 1.922 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.011 1.513 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.345 3.862 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.864 2.996 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.442 2.433 -5.436 1.00 0.00 H new ATOM 1666 N GLN A 100 1.226 5.131 -8.906 1.00 0.00 N ATOM 1667 CA GLN A 100 2.191 6.199 -9.117 1.00 0.00 C ATOM 1668 C GLN A 100 1.676 7.249 -10.116 1.00 0.00 C ATOM 1669 O GLN A 100 0.805 6.931 -10.929 1.00 0.00 O ATOM 1670 CB GLN A 100 3.527 5.615 -9.714 1.00 0.00 C ATOM 1671 CG GLN A 100 3.366 4.379 -10.651 1.00 0.00 C ATOM 1672 CD GLN A 100 2.610 4.670 -11.945 1.00 0.00 C ATOM 1673 OE1 GLN A 100 3.082 5.349 -12.857 1.00 0.00 O ATOM 1674 NE2 GLN A 100 1.366 4.134 -12.028 1.00 0.00 N ATOM 0 H GLN A 100 0.807 4.830 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 100 2.356 6.664 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.031 6.406 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.182 5.339 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.355 3.994 -10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.845 3.591 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.999 3.575 -11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.798 4.290 -12.861 1.00 0.00 H new