USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.455 K(o=-0.46,f=-2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.191 -3.949 -3.838 1.00 0.00 N ATOM 264 CA ARG A 24 -5.793 -3.558 -3.771 1.00 0.00 C ATOM 265 C ARG A 24 -5.672 -2.097 -3.334 1.00 0.00 C ATOM 266 O ARG A 24 -6.436 -1.245 -3.784 1.00 0.00 O ATOM 267 CB ARG A 24 -5.106 -3.737 -5.126 1.00 0.00 C ATOM 268 CG ARG A 24 -5.780 -2.881 -6.200 1.00 0.00 C ATOM 269 CD ARG A 24 -5.068 -3.030 -7.546 1.00 0.00 C ATOM 270 NE ARG A 24 -5.887 -2.426 -8.622 1.00 0.00 N ATOM 271 CZ ARG A 24 -5.399 -2.030 -9.805 1.00 0.00 C ATOM 272 NH1 ARG A 24 -4.094 -2.170 -10.072 1.00 0.00 N ATOM 273 NH2 ARG A 24 -6.217 -1.493 -10.721 1.00 0.00 N ATOM 0 HA ARG A 24 -5.303 -4.201 -3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.054 -3.462 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.139 -4.786 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.824 -3.175 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.772 -1.835 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.092 -2.547 -7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.893 -4.084 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.885 -2.304 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.472 -2.578 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.723 -1.868 -10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.211 -1.386 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.846 -1.191 -11.622 1.00 0.00 H new ATOM 287 N ILE A 25 -4.704 -1.851 -2.463 1.00 0.00 N ATOM 288 CA ILE A 25 -4.472 -0.508 -1.960 1.00 0.00 C ATOM 289 C ILE A 25 -2.979 -0.188 -2.043 1.00 0.00 C ATOM 290 O ILE A 25 -2.141 -1.020 -1.699 1.00 0.00 O ATOM 291 CB ILE A 25 -5.057 -0.353 -0.555 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.434 -1.363 0.412 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.583 -0.452 -0.582 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.520 -0.864 1.856 1.00 0.00 C ATOM 0 H ILE A 25 -4.071 -2.560 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.990 0.225 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.806 0.642 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.947 -2.321 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.391 -1.533 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.973 -0.338 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.988 0.336 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.878 -1.424 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.070 -1.600 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.986 0.082 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.565 -0.718 2.129 1.00 0.00 H new ATOM 306 N TYR A 26 -2.690 1.021 -2.503 1.00 0.00 N ATOM 307 CA TYR A 26 -1.312 1.462 -2.636 1.00 0.00 C ATOM 308 C TYR A 26 -0.867 2.251 -1.403 1.00 0.00 C ATOM 309 O TYR A 26 -1.560 3.169 -0.966 1.00 0.00 O ATOM 310 CB TYR A 26 -1.280 2.384 -3.856 1.00 0.00 C ATOM 311 CG TYR A 26 0.026 3.165 -4.012 1.00 0.00 C ATOM 312 CD1 TYR A 26 1.110 2.581 -4.636 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.121 4.454 -3.528 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.339 3.316 -4.782 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.351 5.190 -3.674 1.00 0.00 C ATOM 316 CZ TYR A 26 2.399 4.584 -4.294 1.00 0.00 C ATOM 317 OH TYR A 26 3.560 5.279 -4.433 1.00 0.00 O ATOM 0 H TYR A 26 -3.387 1.709 -2.788 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.644 0.607 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.444 1.788 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.107 3.090 -3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.036 1.572 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.727 4.911 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.194 2.870 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.439 6.199 -3.300 1.00 0.00 H new ATOM 0 HH TYR A 26 3.457 6.170 -4.039 1.00 0.00 H new ATOM 327 N VAL A 27 0.286 1.866 -0.877 1.00 0.00 N ATOM 328 CA VAL A 27 0.831 2.527 0.296 1.00 0.00 C ATOM 329 C VAL A 27 2.090 3.301 -0.098 1.00 0.00 C ATOM 330 O VAL A 27 3.026 2.730 -0.656 1.00 0.00 O ATOM 331 CB VAL A 27 1.083 1.502 1.404 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.668 2.172 2.649 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.197 0.736 1.744 1.00 0.00 C ATOM 0 H VAL A 27 0.858 1.104 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 27 0.117 3.248 0.694 1.00 0.00 H new ATOM 0 HB VAL A 27 1.815 0.784 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.837 1.421 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.614 2.650 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.970 2.923 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.010 0.014 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.961 1.436 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.553 0.211 0.858 1.00 0.00 H new ATOM 343 N GLY A 28 2.073 4.591 0.207 1.00 0.00 N ATOM 344 CA GLY A 28 3.202 5.450 -0.109 1.00 0.00 C ATOM 345 C GLY A 28 3.749 6.121 1.152 1.00 0.00 C ATOM 346 O GLY A 28 3.208 5.939 2.242 1.00 0.00 O ATOM 0 H GLY A 28 1.295 5.062 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.989 4.863 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.895 6.211 -0.826 1.00 0.00 H new ATOM 350 N ASN A 29 4.816 6.884 0.962 1.00 0.00 N ATOM 351 CA ASN A 29 5.443 7.584 2.070 1.00 0.00 C ATOM 352 C ASN A 29 5.824 6.574 3.154 1.00 0.00 C ATOM 353 O ASN A 29 5.314 6.636 4.272 1.00 0.00 O ATOM 354 CB ASN A 29 4.485 8.604 2.690 1.00 0.00 C ATOM 355 CG ASN A 29 4.596 9.958 1.986 1.00 0.00 C ATOM 356 OD1 ASN A 29 5.595 10.285 1.366 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.517 10.725 2.115 1.00 0.00 N ATOM 0 H ASN A 29 5.262 7.033 0.057 1.00 0.00 H new ATOM 0 HA ASN A 29 6.323 8.102 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.461 8.236 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.709 8.722 3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.492 11.648 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.714 10.390 2.648 1.00 0.00 H new ATOM 364 N LEU A 30 6.718 5.668 2.786 1.00 0.00 N ATOM 365 CA LEU A 30 7.174 4.647 3.714 1.00 0.00 C ATOM 366 C LEU A 30 8.650 4.883 4.040 1.00 0.00 C ATOM 367 O LEU A 30 9.352 5.569 3.299 1.00 0.00 O ATOM 368 CB LEU A 30 6.882 3.251 3.159 1.00 0.00 C ATOM 369 CG LEU A 30 5.432 2.775 3.270 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.137 1.674 2.250 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.108 2.334 4.699 1.00 0.00 C ATOM 0 H LEU A 30 7.139 5.620 1.858 1.00 0.00 H new ATOM 0 HA LEU A 30 6.625 4.713 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.170 3.232 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.519 2.535 3.678 1.00 0.00 H new ATOM 0 HG LEU A 30 4.778 3.615 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.100 1.354 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.303 2.057 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.798 0.826 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.072 2.000 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.768 1.515 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.254 3.172 5.380 1.00 0.00 H new ATOM 383 N PRO A 31 9.089 4.285 5.180 1.00 0.00 N ATOM 384 CA PRO A 31 10.469 4.423 5.614 1.00 0.00 C ATOM 385 C PRO A 31 11.401 3.560 4.761 1.00 0.00 C ATOM 386 O PRO A 31 10.951 2.639 4.081 1.00 0.00 O ATOM 387 CB PRO A 31 10.463 4.021 7.080 1.00 0.00 C ATOM 388 CG PRO A 31 9.181 3.232 7.290 1.00 0.00 C ATOM 389 CD PRO A 31 8.287 3.465 6.083 1.00 0.00 C ATOM 0 HA PRO A 31 10.848 5.438 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.337 3.417 7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.492 4.899 7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.400 2.170 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.680 3.553 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.001 2.523 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.365 3.973 6.365 1.00 0.00 H new ATOM 397 N PRO A 32 12.717 3.896 4.827 1.00 0.00 N ATOM 398 CA PRO A 32 13.716 3.163 4.069 1.00 0.00 C ATOM 399 C PRO A 32 13.997 1.801 4.707 1.00 0.00 C ATOM 400 O PRO A 32 14.404 0.863 4.023 1.00 0.00 O ATOM 401 CB PRO A 32 14.936 4.070 4.044 1.00 0.00 C ATOM 402 CG PRO A 32 14.737 5.067 5.174 1.00 0.00 C ATOM 403 CD PRO A 32 13.287 4.981 5.621 1.00 0.00 C ATOM 0 HA PRO A 32 13.388 2.931 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.852 3.497 4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.024 4.580 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.406 4.842 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.974 6.077 4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.214 4.771 6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.762 5.919 5.444 1.00 0.00 H new ATOM 411 N ASP A 33 13.769 1.735 6.010 1.00 0.00 N ATOM 412 CA ASP A 33 13.992 0.503 6.748 1.00 0.00 C ATOM 413 C ASP A 33 12.658 -0.219 6.943 1.00 0.00 C ATOM 414 O ASP A 33 12.454 -0.893 7.951 1.00 0.00 O ATOM 415 CB ASP A 33 14.582 0.789 8.131 1.00 0.00 C ATOM 416 CG ASP A 33 16.109 0.870 8.179 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.664 1.614 7.342 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.686 0.186 9.051 1.00 0.00 O ATOM 0 H ASP A 33 13.432 2.515 6.574 1.00 0.00 H new ATOM 0 HA ASP A 33 14.690 -0.110 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.172 1.730 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.253 0.009 8.818 1.00 0.00 H new ATOM 423 N ILE A 34 11.783 -0.052 5.962 1.00 0.00 N ATOM 424 CA ILE A 34 10.473 -0.680 6.013 1.00 0.00 C ATOM 425 C ILE A 34 10.568 -2.095 5.438 1.00 0.00 C ATOM 426 O ILE A 34 11.468 -2.391 4.655 1.00 0.00 O ATOM 427 CB ILE A 34 9.431 0.198 5.317 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.012 -0.216 5.715 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.628 0.185 3.800 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.714 0.172 7.164 1.00 0.00 C ATOM 0 H ILE A 34 11.955 0.509 5.128 1.00 0.00 H new ATOM 0 HA ILE A 34 10.136 -0.777 7.045 1.00 0.00 H new ATOM 0 HB ILE A 34 9.572 1.226 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.291 0.261 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.895 -1.293 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.874 0.817 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.621 0.564 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.529 -0.835 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.700 -0.133 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.422 -0.326 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.808 1.252 7.278 1.00 0.00 H new ATOM 442 N ARG A 35 9.626 -2.931 5.851 1.00 0.00 N ATOM 443 CA ARG A 35 9.592 -4.307 5.387 1.00 0.00 C ATOM 444 C ARG A 35 8.201 -4.652 4.850 1.00 0.00 C ATOM 445 O ARG A 35 7.221 -3.988 5.184 1.00 0.00 O ATOM 446 CB ARG A 35 9.951 -5.277 6.514 1.00 0.00 C ATOM 447 CG ARG A 35 11.416 -5.120 6.927 1.00 0.00 C ATOM 448 CD ARG A 35 11.886 -6.321 7.749 1.00 0.00 C ATOM 449 NE ARG A 35 11.888 -5.979 9.189 1.00 0.00 N ATOM 450 CZ ARG A 35 12.116 -6.862 10.171 1.00 0.00 C ATOM 451 NH1 ARG A 35 12.362 -8.145 9.874 1.00 0.00 N ATOM 452 NH2 ARG A 35 12.098 -6.462 11.450 1.00 0.00 N ATOM 0 H ARG A 35 8.881 -2.682 6.502 1.00 0.00 H new ATOM 0 HA ARG A 35 10.328 -4.406 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.306 -5.096 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.769 -6.301 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.039 -5.017 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.537 -4.207 7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.231 -7.173 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.887 -6.617 7.436 1.00 0.00 H new ATOM 0 HE ARG A 35 11.704 -5.010 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.376 -8.450 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.536 -8.817 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.911 -5.485 11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.272 -7.134 12.197 1.00 0.00 H new ATOM 466 N THR A 36 8.159 -5.690 4.028 1.00 0.00 N ATOM 467 CA THR A 36 6.905 -6.131 3.442 1.00 0.00 C ATOM 468 C THR A 36 6.029 -6.803 4.501 1.00 0.00 C ATOM 469 O THR A 36 4.804 -6.699 4.456 1.00 0.00 O ATOM 470 CB THR A 36 7.231 -7.042 2.256 1.00 0.00 C ATOM 471 OG1 THR A 36 8.374 -6.436 1.658 1.00 0.00 O ATOM 472 CG2 THR A 36 6.163 -6.984 1.163 1.00 0.00 C ATOM 0 H THR A 36 8.974 -6.239 3.754 1.00 0.00 H new ATOM 0 HA THR A 36 6.323 -5.287 3.072 1.00 0.00 H new ATOM 0 HB THR A 36 7.337 -8.069 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.655 -6.963 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.443 -7.648 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.204 -7.299 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.080 -5.963 0.789 1.00 0.00 H new ATOM 480 N LYS A 37 6.691 -7.478 5.429 1.00 0.00 N ATOM 481 CA LYS A 37 5.988 -8.167 6.498 1.00 0.00 C ATOM 482 C LYS A 37 5.462 -7.140 7.502 1.00 0.00 C ATOM 483 O LYS A 37 4.279 -7.145 7.839 1.00 0.00 O ATOM 484 CB LYS A 37 6.883 -9.238 7.125 1.00 0.00 C ATOM 485 CG LYS A 37 6.086 -10.506 7.437 1.00 0.00 C ATOM 486 CD LYS A 37 6.567 -11.680 6.583 1.00 0.00 C ATOM 487 CE LYS A 37 5.628 -12.880 6.722 1.00 0.00 C ATOM 488 NZ LYS A 37 6.049 -13.975 5.819 1.00 0.00 N ATOM 0 H LYS A 37 7.707 -7.563 5.463 1.00 0.00 H new ATOM 0 HA LYS A 37 5.122 -8.699 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.701 -9.477 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.331 -8.852 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.189 -10.754 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.026 -10.328 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.622 -11.376 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.575 -11.965 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.628 -13.231 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.607 -12.579 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.401 -14.782 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.027 -13.641 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.015 -14.273 6.062 1.00 0.00 H new ATOM 502 N ASP A 38 6.366 -6.282 7.951 1.00 0.00 N ATOM 503 CA ASP A 38 6.008 -5.250 8.910 1.00 0.00 C ATOM 504 C ASP A 38 4.736 -4.543 8.439 1.00 0.00 C ATOM 505 O ASP A 38 3.825 -4.304 9.231 1.00 0.00 O ATOM 506 CB ASP A 38 7.116 -4.202 9.029 1.00 0.00 C ATOM 507 CG ASP A 38 8.424 -4.709 9.638 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.456 -5.906 9.998 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.363 -3.889 9.731 1.00 0.00 O ATOM 0 H ASP A 38 7.346 -6.280 7.669 1.00 0.00 H new ATOM 0 HA ASP A 38 5.857 -5.726 9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.326 -3.803 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.748 -3.374 9.634 1.00 0.00 H new ATOM 514 N ILE A 39 4.713 -4.227 7.153 1.00 0.00 N ATOM 515 CA ILE A 39 3.568 -3.552 6.568 1.00 0.00 C ATOM 516 C ILE A 39 2.360 -4.491 6.592 1.00 0.00 C ATOM 517 O ILE A 39 1.219 -4.039 6.666 1.00 0.00 O ATOM 518 CB ILE A 39 3.910 -3.027 5.172 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.089 -2.053 5.227 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.683 -2.404 4.504 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.698 -1.850 3.838 1.00 0.00 C ATOM 0 H ILE A 39 5.470 -4.426 6.499 1.00 0.00 H new ATOM 0 HA ILE A 39 3.302 -2.674 7.157 1.00 0.00 H new ATOM 0 HB ILE A 39 4.218 -3.872 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.755 -1.095 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.849 -2.434 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.954 -2.039 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.898 -3.155 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.321 -1.574 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.534 -1.154 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.053 -2.806 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.942 -1.446 3.165 1.00 0.00 H new ATOM 533 N GLU A 40 2.653 -5.782 6.527 1.00 0.00 N ATOM 534 CA GLU A 40 1.606 -6.789 6.541 1.00 0.00 C ATOM 535 C GLU A 40 1.002 -6.908 7.942 1.00 0.00 C ATOM 536 O GLU A 40 -0.216 -6.847 8.104 1.00 0.00 O ATOM 537 CB GLU A 40 2.137 -8.139 6.057 1.00 0.00 C ATOM 538 CG GLU A 40 1.440 -9.294 6.779 1.00 0.00 C ATOM 539 CD GLU A 40 1.535 -10.586 5.966 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.673 -11.084 5.822 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.468 -11.047 5.506 1.00 0.00 O ATOM 0 H GLU A 40 3.601 -6.153 6.464 1.00 0.00 H new ATOM 0 HA GLU A 40 0.820 -6.477 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.981 -8.231 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.212 -8.194 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.895 -9.442 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.393 -9.043 6.948 1.00 0.00 H new ATOM 548 N ASP A 41 1.882 -7.075 8.918 1.00 0.00 N ATOM 549 CA ASP A 41 1.451 -7.203 10.300 1.00 0.00 C ATOM 550 C ASP A 41 0.678 -5.947 10.707 1.00 0.00 C ATOM 551 O ASP A 41 -0.104 -5.975 11.656 1.00 0.00 O ATOM 552 CB ASP A 41 2.649 -7.346 11.240 1.00 0.00 C ATOM 553 CG ASP A 41 2.305 -7.350 12.731 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.406 -8.134 13.103 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.949 -6.569 13.464 1.00 0.00 O ATOM 0 H ASP A 41 2.891 -7.125 8.779 1.00 0.00 H new ATOM 0 HA ASP A 41 0.825 -8.092 10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.171 -8.273 11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.344 -6.529 11.045 1.00 0.00 H new ATOM 560 N VAL A 42 0.923 -4.874 9.969 1.00 0.00 N ATOM 561 CA VAL A 42 0.260 -3.610 10.241 1.00 0.00 C ATOM 562 C VAL A 42 -1.220 -3.726 9.872 1.00 0.00 C ATOM 563 O VAL A 42 -2.087 -3.663 10.742 1.00 0.00 O ATOM 564 CB VAL A 42 0.973 -2.476 9.503 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.117 -1.208 9.489 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.349 -2.202 10.115 1.00 0.00 C ATOM 0 H VAL A 42 1.572 -4.854 9.182 1.00 0.00 H new ATOM 0 HA VAL A 42 0.312 -3.372 11.303 1.00 0.00 H new ATOM 0 HB VAL A 42 1.123 -2.791 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.647 -0.417 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.828 -1.413 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.079 -0.890 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.834 -1.391 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.232 -1.918 11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.962 -3.101 10.049 1.00 0.00 H new ATOM 576 N PHE A 43 -1.464 -3.893 8.580 1.00 0.00 N ATOM 577 CA PHE A 43 -2.824 -4.019 8.085 1.00 0.00 C ATOM 578 C PHE A 43 -3.475 -5.308 8.591 1.00 0.00 C ATOM 579 O PHE A 43 -4.687 -5.356 8.795 1.00 0.00 O ATOM 580 CB PHE A 43 -2.742 -4.068 6.558 1.00 0.00 C ATOM 581 CG PHE A 43 -2.503 -2.706 5.903 1.00 0.00 C ATOM 582 CD1 PHE A 43 -3.537 -1.836 5.747 1.00 0.00 C ATOM 583 CD2 PHE A 43 -1.257 -2.365 5.478 1.00 0.00 C ATOM 584 CE1 PHE A 43 -3.316 -0.572 5.139 1.00 0.00 C ATOM 585 CE2 PHE A 43 -1.036 -1.101 4.870 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.070 -0.231 4.713 1.00 0.00 C ATOM 0 H PHE A 43 -0.742 -3.944 7.861 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.426 -3.179 8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.938 -4.745 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.668 -4.490 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.526 -2.107 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.436 -3.055 5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.137 0.119 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.047 -0.830 4.532 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.902 0.730 4.250 1.00 0.00 H new ATOM 596 N TYR A 44 -2.641 -6.320 8.778 1.00 0.00 N ATOM 597 CA TYR A 44 -3.120 -7.606 9.256 1.00 0.00 C ATOM 598 C TYR A 44 -3.982 -7.438 10.509 1.00 0.00 C ATOM 599 O TYR A 44 -4.837 -8.275 10.796 1.00 0.00 O ATOM 600 CB TYR A 44 -1.872 -8.415 9.614 1.00 0.00 C ATOM 601 CG TYR A 44 -2.094 -9.443 10.725 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.138 -9.035 12.043 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.251 -10.777 10.409 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.347 -10.003 13.089 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.460 -11.744 11.455 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.497 -11.310 12.743 1.00 0.00 C ATOM 607 OH TYR A 44 -2.695 -12.223 13.731 1.00 0.00 O ATOM 0 H TYR A 44 -1.636 -6.276 8.607 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.731 -8.095 8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.518 -8.931 8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.082 -7.729 9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.016 -7.991 12.290 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.217 -11.096 9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.384 -9.698 14.124 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.585 -12.791 11.222 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.787 -13.116 13.338 1.00 0.00 H new ATOM 617 N LYS A 45 -3.727 -6.352 11.223 1.00 0.00 N ATOM 618 CA LYS A 45 -4.468 -6.064 12.439 1.00 0.00 C ATOM 619 C LYS A 45 -5.963 -6.005 12.118 1.00 0.00 C ATOM 620 O LYS A 45 -6.798 -6.110 13.015 1.00 0.00 O ATOM 621 CB LYS A 45 -3.932 -4.795 13.106 1.00 0.00 C ATOM 622 CG LYS A 45 -4.732 -3.566 12.669 1.00 0.00 C ATOM 623 CD LYS A 45 -5.855 -3.261 13.663 1.00 0.00 C ATOM 624 CE LYS A 45 -5.320 -2.503 14.879 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.003 -1.198 15.018 1.00 0.00 N ATOM 0 H LYS A 45 -3.017 -5.660 10.983 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.329 -6.863 13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.983 -4.900 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.882 -4.660 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.068 -2.705 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.154 -3.736 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.629 -2.670 13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.322 -4.191 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.471 -3.097 15.780 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.246 -2.349 14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.628 -0.697 15.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.838 -0.627 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.024 -1.352 15.139 1.00 0.00 H new ATOM 639 N TYR A 46 -6.254 -5.838 10.837 1.00 0.00 N ATOM 640 CA TYR A 46 -7.634 -5.764 10.386 1.00 0.00 C ATOM 641 C TYR A 46 -8.098 -7.107 9.820 1.00 0.00 C ATOM 642 O TYR A 46 -9.076 -7.682 10.297 1.00 0.00 O ATOM 643 CB TYR A 46 -7.657 -4.718 9.270 1.00 0.00 C ATOM 644 CG TYR A 46 -7.584 -3.274 9.769 1.00 0.00 C ATOM 645 CD1 TYR A 46 -6.357 -2.673 9.966 1.00 0.00 C ATOM 646 CD2 TYR A 46 -8.744 -2.571 10.023 1.00 0.00 C ATOM 647 CE1 TYR A 46 -6.288 -1.314 10.436 1.00 0.00 C ATOM 648 CE2 TYR A 46 -8.675 -1.212 10.493 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.450 -0.650 10.676 1.00 0.00 C ATOM 650 OH TYR A 46 -7.385 0.634 11.120 1.00 0.00 O ATOM 0 H TYR A 46 -5.558 -5.752 10.096 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.295 -5.507 11.213 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.820 -4.902 8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.569 -4.844 8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.449 -3.222 9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.704 -3.041 9.869 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.334 -0.833 10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.576 -0.651 10.696 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.292 0.982 11.247 1.00 0.00 H new ATOM 660 N GLY A 47 -7.375 -7.569 8.810 1.00 0.00 N ATOM 661 CA GLY A 47 -7.701 -8.834 8.174 1.00 0.00 C ATOM 662 C GLY A 47 -6.434 -9.563 7.722 1.00 0.00 C ATOM 663 O GLY A 47 -5.437 -9.587 8.441 1.00 0.00 O ATOM 0 H GLY A 47 -6.565 -7.090 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.258 -9.462 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.349 -8.657 7.316 1.00 0.00 H new ATOM 667 N ALA A 48 -6.514 -10.140 6.531 1.00 0.00 N ATOM 668 CA ALA A 48 -5.387 -10.867 5.975 1.00 0.00 C ATOM 669 C ALA A 48 -5.060 -10.310 4.588 1.00 0.00 C ATOM 670 O ALA A 48 -5.943 -9.810 3.892 1.00 0.00 O ATOM 671 CB ALA A 48 -5.710 -12.362 5.941 1.00 0.00 C ATOM 0 H ALA A 48 -7.343 -10.118 5.936 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.503 -10.738 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.864 -12.908 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.906 -12.715 6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.591 -12.530 5.322 1.00 0.00 H new ATOM 677 N ILE A 49 -3.789 -10.414 4.227 1.00 0.00 N ATOM 678 CA ILE A 49 -3.335 -9.926 2.936 1.00 0.00 C ATOM 679 C ILE A 49 -3.216 -11.102 1.965 1.00 0.00 C ATOM 680 O ILE A 49 -2.909 -12.221 2.373 1.00 0.00 O ATOM 681 CB ILE A 49 -2.042 -9.124 3.091 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.237 -7.950 4.053 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.514 -8.667 1.730 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.163 -7.950 5.143 1.00 0.00 C ATOM 0 H ILE A 49 -3.059 -10.829 4.806 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.063 -9.234 2.513 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.286 -9.776 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.199 -7.012 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.225 -8.010 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.594 -8.099 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.312 -9.538 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.259 -8.038 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.325 -7.106 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.220 -8.879 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.178 -7.865 4.683 1.00 0.00 H new ATOM 696 N ARG A 50 -3.466 -10.809 0.697 1.00 0.00 N ATOM 697 CA ARG A 50 -3.391 -11.828 -0.336 1.00 0.00 C ATOM 698 C ARG A 50 -2.006 -11.824 -0.986 1.00 0.00 C ATOM 699 O ARG A 50 -1.530 -12.860 -1.449 1.00 0.00 O ATOM 700 CB ARG A 50 -4.453 -11.600 -1.413 1.00 0.00 C ATOM 701 CG ARG A 50 -4.242 -12.543 -2.600 1.00 0.00 C ATOM 702 CD ARG A 50 -5.577 -13.081 -3.117 1.00 0.00 C ATOM 703 NE ARG A 50 -5.606 -14.556 -3.003 1.00 0.00 N ATOM 704 CZ ARG A 50 -4.910 -15.385 -3.794 1.00 0.00 C ATOM 705 NH1 ARG A 50 -4.127 -14.888 -4.761 1.00 0.00 N ATOM 706 NH2 ARG A 50 -4.998 -16.710 -3.618 1.00 0.00 N ATOM 0 H ARG A 50 -3.721 -9.880 0.362 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.571 -12.793 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.445 -11.759 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.414 -10.566 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.724 -12.015 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.603 -13.373 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.399 -12.648 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.720 -12.785 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.192 -14.968 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.061 -13.879 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.597 -15.519 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.595 -17.088 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.468 -17.341 -4.220 1.00 0.00 H new ATOM 720 N ASP A 51 -1.398 -10.647 -1.000 1.00 0.00 N ATOM 721 CA ASP A 51 -0.077 -10.494 -1.586 1.00 0.00 C ATOM 722 C ASP A 51 0.350 -9.028 -1.495 1.00 0.00 C ATOM 723 O ASP A 51 -0.479 -8.127 -1.612 1.00 0.00 O ATOM 724 CB ASP A 51 -0.080 -10.895 -3.063 1.00 0.00 C ATOM 725 CG ASP A 51 1.234 -10.640 -3.804 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.383 -9.514 -4.325 1.00 0.00 O ATOM 727 OD2 ASP A 51 2.060 -11.578 -3.834 1.00 0.00 O ATOM 0 H ASP A 51 -1.796 -9.790 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 51 0.611 -11.138 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.321 -11.956 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.877 -10.352 -3.570 1.00 0.00 H new ATOM 732 N ILE A 52 1.644 -8.834 -1.286 1.00 0.00 N ATOM 733 CA ILE A 52 2.192 -7.492 -1.177 1.00 0.00 C ATOM 734 C ILE A 52 3.287 -7.306 -2.230 1.00 0.00 C ATOM 735 O ILE A 52 4.239 -8.083 -2.284 1.00 0.00 O ATOM 736 CB ILE A 52 2.661 -7.219 0.253 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.515 -7.402 1.250 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.303 -5.835 0.365 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.032 -7.933 2.589 1.00 0.00 C ATOM 0 H ILE A 52 2.329 -9.584 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 52 1.422 -6.748 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 52 3.428 -7.951 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.007 -6.450 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.779 -8.094 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.628 -5.666 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.164 -5.778 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.576 -5.073 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.197 -8.054 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.518 -8.896 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.750 -7.227 3.008 1.00 0.00 H new ATOM 751 N ASP A 53 3.114 -6.273 -3.040 1.00 0.00 N ATOM 752 CA ASP A 53 4.076 -5.975 -4.088 1.00 0.00 C ATOM 753 C ASP A 53 4.841 -4.700 -3.725 1.00 0.00 C ATOM 754 O ASP A 53 4.270 -3.611 -3.714 1.00 0.00 O ATOM 755 CB ASP A 53 3.376 -5.740 -5.428 1.00 0.00 C ATOM 756 CG ASP A 53 3.263 -6.976 -6.324 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.290 -7.319 -6.948 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.153 -7.549 -6.363 1.00 0.00 O ATOM 0 H ASP A 53 2.322 -5.632 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 53 4.751 -6.826 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.374 -5.357 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.915 -4.964 -5.971 1.00 0.00 H new ATOM 763 N LEU A 54 6.122 -4.879 -3.437 1.00 0.00 N ATOM 764 CA LEU A 54 6.971 -3.757 -3.074 1.00 0.00 C ATOM 765 C LEU A 54 7.984 -3.507 -4.193 1.00 0.00 C ATOM 766 O LEU A 54 8.732 -4.407 -4.570 1.00 0.00 O ATOM 767 CB LEU A 54 7.612 -3.991 -1.705 1.00 0.00 C ATOM 768 CG LEU A 54 8.792 -3.083 -1.353 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.330 -1.873 -0.539 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.894 -3.868 -0.638 1.00 0.00 C ATOM 0 H LEU A 54 6.592 -5.784 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 54 6.378 -2.848 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.844 -3.869 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.949 -5.027 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 54 9.218 -2.702 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.188 -1.244 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.608 -1.298 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.864 -2.213 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.721 -3.199 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.497 -4.297 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.250 -4.668 -1.287 1.00 0.00 H new ATOM 782 N LYS A 55 7.975 -2.280 -4.692 1.00 0.00 N ATOM 783 CA LYS A 55 8.884 -1.900 -5.761 1.00 0.00 C ATOM 784 C LYS A 55 10.195 -1.397 -5.154 1.00 0.00 C ATOM 785 O LYS A 55 11.236 -2.037 -5.299 1.00 0.00 O ATOM 786 CB LYS A 55 8.215 -0.894 -6.700 1.00 0.00 C ATOM 787 CG LYS A 55 7.202 -1.587 -7.614 1.00 0.00 C ATOM 788 CD LYS A 55 7.493 -1.284 -9.085 1.00 0.00 C ATOM 789 CE LYS A 55 6.197 -1.027 -9.858 1.00 0.00 C ATOM 790 NZ LYS A 55 6.444 -1.084 -11.316 1.00 0.00 N ATOM 0 H LYS A 55 7.353 -1.536 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 55 9.129 -2.764 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.714 -0.122 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.973 -0.395 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.234 -2.664 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.194 -1.256 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.144 -0.413 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.029 -2.121 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.448 -1.769 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.794 -0.051 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.555 -0.908 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.143 -0.360 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.808 -2.025 -11.570 1.00 0.00 H new ATOM 880 N PRO A 61 10.267 7.743 -2.480 1.00 0.00 N ATOM 881 CA PRO A 61 10.247 6.798 -1.376 1.00 0.00 C ATOM 882 C PRO A 61 9.803 5.413 -1.849 1.00 0.00 C ATOM 883 O PRO A 61 9.348 5.255 -2.981 1.00 0.00 O ATOM 884 CB PRO A 61 9.303 7.408 -0.353 1.00 0.00 C ATOM 885 CG PRO A 61 8.473 8.432 -1.110 1.00 0.00 C ATOM 886 CD PRO A 61 9.145 8.677 -2.451 1.00 0.00 C ATOM 0 HA PRO A 61 11.234 6.638 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.667 6.645 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.858 7.878 0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.456 8.068 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.402 9.360 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.458 8.496 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.486 9.708 -2.540 1.00 0.00 H new ATOM 894 N PRO A 62 9.954 4.417 -0.934 1.00 0.00 N ATOM 895 CA PRO A 62 9.573 3.050 -1.246 1.00 0.00 C ATOM 896 C PRO A 62 8.052 2.886 -1.225 1.00 0.00 C ATOM 897 O PRO A 62 7.400 3.238 -0.243 1.00 0.00 O ATOM 898 CB PRO A 62 10.277 2.198 -0.203 1.00 0.00 C ATOM 899 CG PRO A 62 10.647 3.145 0.928 1.00 0.00 C ATOM 900 CD PRO A 62 10.489 4.567 0.416 1.00 0.00 C ATOM 0 HA PRO A 62 9.868 2.750 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.626 1.400 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.165 1.723 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.004 2.977 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.672 2.968 1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.813 5.143 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.443 5.093 0.408 1.00 0.00 H new ATOM 908 N PHE A 63 7.532 2.351 -2.319 1.00 0.00 N ATOM 909 CA PHE A 63 6.100 2.135 -2.439 1.00 0.00 C ATOM 910 C PHE A 63 5.786 0.658 -2.684 1.00 0.00 C ATOM 911 O PHE A 63 6.618 -0.077 -3.214 1.00 0.00 O ATOM 912 CB PHE A 63 5.624 2.952 -3.642 1.00 0.00 C ATOM 913 CG PHE A 63 6.410 2.683 -4.927 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.662 3.193 -5.077 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.857 1.935 -5.919 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.391 2.944 -6.269 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.587 1.686 -7.111 1.00 0.00 C ATOM 918 CZ PHE A 63 7.839 2.196 -7.261 1.00 0.00 C ATOM 0 H PHE A 63 8.077 2.060 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 63 5.600 2.437 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.571 2.736 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.696 4.012 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.101 3.787 -4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.863 1.530 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.385 3.349 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.148 1.092 -7.899 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.394 2.007 -8.168 1.00 0.00 H new ATOM 928 N ALA A 64 4.584 0.268 -2.286 1.00 0.00 N ATOM 929 CA ALA A 64 4.150 -1.109 -2.456 1.00 0.00 C ATOM 930 C ALA A 64 2.622 -1.166 -2.415 1.00 0.00 C ATOM 931 O ALA A 64 1.978 -0.275 -1.861 1.00 0.00 O ATOM 932 CB ALA A 64 4.795 -1.984 -1.379 1.00 0.00 C ATOM 0 H ALA A 64 3.897 0.881 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 64 4.469 -1.495 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.470 -3.017 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.880 -1.932 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.495 -1.628 -0.393 1.00 0.00 H new ATOM 938 N PHE A 65 2.085 -2.222 -3.008 1.00 0.00 N ATOM 939 CA PHE A 65 0.644 -2.407 -3.046 1.00 0.00 C ATOM 940 C PHE A 65 0.228 -3.639 -2.240 1.00 0.00 C ATOM 941 O PHE A 65 0.881 -4.679 -2.307 1.00 0.00 O ATOM 942 CB PHE A 65 0.259 -2.617 -4.512 1.00 0.00 C ATOM 943 CG PHE A 65 0.685 -1.475 -5.437 1.00 0.00 C ATOM 944 CD1 PHE A 65 2.005 -1.252 -5.678 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.255 -0.683 -6.018 1.00 0.00 C ATOM 946 CE1 PHE A 65 2.401 -0.193 -6.537 1.00 0.00 C ATOM 947 CE2 PHE A 65 0.141 0.377 -6.876 1.00 0.00 C ATOM 948 CZ PHE A 65 1.460 0.599 -7.118 1.00 0.00 C ATOM 0 H PHE A 65 2.622 -2.958 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 65 0.146 -1.539 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.709 -3.545 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.822 -2.741 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.752 -1.880 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.303 -0.860 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.449 -0.016 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.606 1.007 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.761 1.404 -7.772 1.00 0.00 H new ATOM 958 N VAL A 66 -0.858 -3.481 -1.497 1.00 0.00 N ATOM 959 CA VAL A 66 -1.369 -4.568 -0.679 1.00 0.00 C ATOM 960 C VAL A 66 -2.696 -5.059 -1.262 1.00 0.00 C ATOM 961 O VAL A 66 -3.583 -4.259 -1.555 1.00 0.00 O ATOM 962 CB VAL A 66 -1.487 -4.116 0.778 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.861 -5.288 1.687 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.196 -3.445 1.251 1.00 0.00 C ATOM 0 H VAL A 66 -1.398 -2.617 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.678 -5.411 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.288 -3.379 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.938 -4.939 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.818 -5.702 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.093 -6.059 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.307 -3.133 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.631 -4.150 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.009 -2.573 0.631 1.00 0.00 H new ATOM 974 N GLU A 67 -2.789 -6.372 -1.413 1.00 0.00 N ATOM 975 CA GLU A 67 -3.992 -6.979 -1.956 1.00 0.00 C ATOM 976 C GLU A 67 -4.773 -7.692 -0.850 1.00 0.00 C ATOM 977 O GLU A 67 -4.403 -8.788 -0.433 1.00 0.00 O ATOM 978 CB GLU A 67 -3.654 -7.941 -3.097 1.00 0.00 C ATOM 979 CG GLU A 67 -4.923 -8.417 -3.807 1.00 0.00 C ATOM 980 CD GLU A 67 -4.814 -8.214 -5.319 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.197 -9.087 -5.967 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.349 -7.189 -5.794 1.00 0.00 O ATOM 0 H GLU A 67 -2.051 -7.032 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.621 -6.189 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.997 -7.446 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.109 -8.799 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.092 -9.472 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.785 -7.870 -3.424 1.00 0.00 H new ATOM 989 N PHE A 68 -5.837 -7.040 -0.407 1.00 0.00 N ATOM 990 CA PHE A 68 -6.673 -7.598 0.643 1.00 0.00 C ATOM 991 C PHE A 68 -7.582 -8.699 0.093 1.00 0.00 C ATOM 992 O PHE A 68 -7.757 -8.816 -1.119 1.00 0.00 O ATOM 993 CB PHE A 68 -7.540 -6.456 1.178 1.00 0.00 C ATOM 994 CG PHE A 68 -6.921 -5.704 2.358 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.010 -6.217 3.614 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.280 -4.523 2.150 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.435 -5.519 4.709 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.705 -3.825 3.245 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.794 -4.338 4.501 1.00 0.00 C ATOM 0 H PHE A 68 -6.140 -6.131 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.049 -8.035 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.731 -5.749 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.505 -6.859 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.518 -7.156 3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.208 -4.116 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.507 -5.926 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.197 -2.886 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.356 -3.808 5.333 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.137 -9.477 1.011 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.023 -10.564 0.633 1.00 0.00 C ATOM 1011 C GLU A 69 -10.416 -10.024 0.305 1.00 0.00 C ATOM 1012 O GLU A 69 -11.038 -10.448 -0.668 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.091 -11.624 1.735 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.921 -12.604 1.626 1.00 0.00 C ATOM 1015 CD GLU A 69 -8.042 -13.465 0.368 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.787 -14.467 0.435 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -7.386 -13.104 -0.633 1.00 0.00 O ATOM 0 H GLU A 69 -7.990 -9.376 2.015 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.620 -11.041 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.075 -11.140 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.033 -12.168 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.981 -12.053 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.895 -13.244 2.508 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.866 -9.095 1.136 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.175 -8.492 0.947 1.00 0.00 C ATOM 1026 C ASP A 70 -12.015 -6.980 0.777 1.00 0.00 C ATOM 1027 O ASP A 70 -11.050 -6.396 1.267 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.076 -8.739 2.158 1.00 0.00 C ATOM 1029 CG ASP A 70 -14.456 -9.314 1.831 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -14.487 -10.380 1.179 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -15.448 -8.674 2.241 1.00 0.00 O ATOM 0 H ASP A 70 -10.348 -8.745 1.942 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.628 -8.941 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.566 -9.422 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.208 -7.798 2.691 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.002 -6.374 0.065 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.980 -4.941 -0.176 1.00 0.00 C ATOM 1038 C PRO A 71 -13.369 -4.168 1.086 1.00 0.00 C ATOM 1039 O PRO A 71 -12.713 -3.192 1.448 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.945 -4.721 -1.329 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.818 -5.964 -1.385 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.160 -7.034 -0.530 1.00 0.00 C ATOM 0 HA PRO A 71 -11.987 -4.572 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.548 -3.827 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.407 -4.579 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.820 -5.744 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.925 -6.309 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.842 -7.403 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.861 -7.893 -1.131 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.435 -4.633 1.721 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.919 -3.997 2.935 1.00 0.00 C ATOM 1052 C ARG A 72 -13.751 -3.681 3.871 1.00 0.00 C ATOM 1053 O ARG A 72 -13.675 -2.587 4.428 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.921 -4.894 3.665 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.232 -5.000 2.884 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.380 -5.437 3.797 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.573 -5.770 2.987 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.665 -6.376 3.471 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.721 -6.720 4.765 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.700 -6.639 2.662 1.00 0.00 N ATOM 0 H ARG A 72 -14.977 -5.442 1.418 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.419 -3.072 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.493 -5.887 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.117 -4.492 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.469 -4.037 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.118 -5.715 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.077 -6.303 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.619 -4.640 4.501 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.563 -5.522 1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.932 -6.520 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.552 -7.182 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.657 -6.378 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.531 -7.101 3.031 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.869 -4.660 4.016 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.709 -4.500 4.876 1.00 0.00 C ATOM 1076 C ASP A 73 -10.658 -3.653 4.154 1.00 0.00 C ATOM 1077 O ASP A 73 -10.105 -2.719 4.732 1.00 0.00 O ATOM 1078 CB ASP A 73 -11.078 -5.854 5.208 1.00 0.00 C ATOM 1079 CG ASP A 73 -9.987 -5.814 6.279 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -8.953 -5.164 6.012 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -10.212 -6.434 7.341 1.00 0.00 O ATOM 0 H ASP A 73 -12.935 -5.566 3.552 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.036 -4.019 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.864 -6.533 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.655 -6.274 4.296 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.414 -4.011 2.902 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.440 -3.296 2.096 1.00 0.00 C ATOM 1088 C ALA A 74 -9.721 -1.795 2.175 1.00 0.00 C ATOM 1089 O ALA A 74 -8.813 -0.980 2.021 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.481 -3.822 0.659 1.00 0.00 C ATOM 0 H ALA A 74 -10.874 -4.787 2.426 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.432 -3.463 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.750 -3.285 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.245 -4.886 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.477 -3.670 0.244 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.984 -1.474 2.415 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.397 -0.085 2.517 1.00 0.00 C ATOM 1098 C GLU A 75 -11.277 0.400 3.963 1.00 0.00 C ATOM 1099 O GLU A 75 -10.716 1.464 4.221 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.822 0.104 1.992 1.00 0.00 C ATOM 1101 CG GLU A 75 -12.932 -0.342 0.533 1.00 0.00 C ATOM 1102 CD GLU A 75 -13.748 0.660 -0.286 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -14.927 0.863 0.077 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.175 1.200 -1.257 1.00 0.00 O ATOM 0 H GLU A 75 -11.735 -2.153 2.542 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.733 0.517 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.518 -0.469 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.109 1.152 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.935 -0.442 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.401 -1.325 0.484 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.813 -0.404 4.870 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.773 -0.070 6.284 1.00 0.00 C ATOM 1113 C ASP A 76 -10.326 0.204 6.697 1.00 0.00 C ATOM 1114 O ASP A 76 -10.074 1.012 7.591 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.298 -1.225 7.138 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.822 -1.333 7.214 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.464 -0.262 7.280 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.312 -2.483 7.205 1.00 0.00 O ATOM 0 H ASP A 76 -12.277 -1.286 4.653 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.400 0.808 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.902 -2.160 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.906 -1.117 8.149 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.412 -0.483 6.028 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.997 -0.324 6.315 1.00 0.00 C ATOM 1125 C ALA A 77 -7.538 1.059 5.848 1.00 0.00 C ATOM 1126 O ALA A 77 -7.128 1.888 6.658 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.210 -1.455 5.650 1.00 0.00 C ATOM 0 H ALA A 77 -9.624 -1.152 5.287 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.814 -0.387 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.148 -1.335 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.553 -2.414 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.367 -1.423 4.572 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.623 1.265 4.541 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.222 2.533 3.956 1.00 0.00 C ATOM 1135 C VAL A 78 -8.021 3.665 4.606 1.00 0.00 C ATOM 1136 O VAL A 78 -7.516 4.776 4.761 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.386 2.482 2.436 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.788 2.934 2.020 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.311 3.320 1.740 1.00 0.00 C ATOM 0 H VAL A 78 -7.964 0.575 3.871 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.167 2.727 4.150 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.260 1.446 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.878 2.888 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.531 2.278 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.955 3.958 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.450 3.267 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.391 4.357 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.325 2.934 1.998 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.254 3.344 4.969 1.00 0.00 N ATOM 1150 CA TYR A 79 -10.126 4.320 5.599 1.00 0.00 C ATOM 1151 C TYR A 79 -9.520 4.835 6.906 1.00 0.00 C ATOM 1152 O TYR A 79 -9.974 5.840 7.451 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.429 3.581 5.912 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.487 3.691 4.812 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -12.100 3.873 3.499 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.826 3.608 5.131 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -13.095 3.976 2.463 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.821 3.711 4.096 1.00 0.00 C ATOM 1159 CZ TYR A 79 -14.407 3.890 2.813 1.00 0.00 C ATOM 1160 OH TYR A 79 -15.347 3.988 1.835 1.00 0.00 O ATOM 0 H TYR A 79 -9.670 2.422 4.839 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.278 5.178 4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.205 2.528 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.843 3.974 6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.051 3.938 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.128 3.466 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.806 4.118 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.873 3.648 4.333 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.240 3.908 2.230 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.504 4.123 7.370 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.830 4.496 8.603 1.00 0.00 C ATOM 1172 C GLY A 80 -6.339 4.737 8.362 1.00 0.00 C ATOM 1173 O GLY A 80 -5.868 5.870 8.445 1.00 0.00 O ATOM 0 H GLY A 80 -8.131 3.290 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.286 5.397 9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.959 3.708 9.345 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.637 3.652 8.068 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.208 3.731 7.814 1.00 0.00 C ATOM 1179 C ARG A 81 -3.879 4.998 7.021 1.00 0.00 C ATOM 1180 O ARG A 81 -2.862 5.643 7.269 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.719 2.509 7.035 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.676 1.269 7.931 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.518 1.354 8.928 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.652 0.291 9.950 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.110 0.354 11.174 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.395 1.427 11.536 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.284 -0.657 12.036 1.00 0.00 N ATOM 0 H ARG A 81 -6.031 2.714 8.000 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.701 3.760 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.378 2.326 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.726 2.705 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.618 1.172 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.567 0.375 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.568 1.249 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.511 2.333 9.408 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.190 -0.541 9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.263 2.197 10.880 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.983 1.474 12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.829 -1.474 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.872 -0.609 12.968 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.760 5.316 6.084 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.576 6.494 5.253 1.00 0.00 C ATOM 1203 C ASP A 82 -4.387 7.720 6.149 1.00 0.00 C ATOM 1204 O ASP A 82 -5.358 8.376 6.522 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.799 6.740 4.367 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.733 8.005 3.510 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.648 8.247 2.938 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.769 8.702 3.446 1.00 0.00 O ATOM 0 H ASP A 82 -5.603 4.779 5.882 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.702 6.329 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.931 5.881 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.683 6.795 5.002 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.130 7.992 6.467 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.801 9.128 7.312 1.00 0.00 C ATOM 1215 C GLY A 83 -2.214 8.666 8.647 1.00 0.00 C ATOM 1216 O GLY A 83 -2.307 9.375 9.648 1.00 0.00 O ATOM 0 H GLY A 83 -2.327 7.446 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.086 9.772 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.696 9.724 7.491 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.623 7.481 8.619 1.00 0.00 N ATOM 1221 CA TYR A 84 -1.021 6.916 9.815 1.00 0.00 C ATOM 1222 C TYR A 84 0.442 7.344 9.947 1.00 0.00 C ATOM 1223 O TYR A 84 1.044 7.813 8.983 1.00 0.00 O ATOM 1224 CB TYR A 84 -1.081 5.397 9.640 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.451 4.613 10.793 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.831 4.872 12.094 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.499 3.646 10.531 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.237 4.134 13.178 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.092 2.908 11.616 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.695 3.188 12.886 1.00 0.00 C ATOM 1231 OH TYR A 84 1.256 2.491 13.910 1.00 0.00 O ATOM 0 H TYR A 84 -1.548 6.896 7.787 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.548 7.256 10.707 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.123 5.094 9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.576 5.128 8.712 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.574 5.628 12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.797 3.443 9.513 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.525 4.328 14.201 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.836 2.149 11.425 1.00 0.00 H new ATOM 0 HH TYR A 84 1.904 1.848 13.552 1.00 0.00 H new ATOM 1241 N ASP A 85 0.970 7.168 11.150 1.00 0.00 N ATOM 1242 CA ASP A 85 2.351 7.531 11.421 1.00 0.00 C ATOM 1243 C ASP A 85 3.074 6.336 12.046 1.00 0.00 C ATOM 1244 O ASP A 85 2.819 5.985 13.197 1.00 0.00 O ATOM 1245 CB ASP A 85 2.430 8.699 12.405 1.00 0.00 C ATOM 1246 CG ASP A 85 3.841 9.231 12.664 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.610 9.302 11.682 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.118 9.555 13.840 1.00 0.00 O ATOM 0 H ASP A 85 0.467 6.779 11.947 1.00 0.00 H new ATOM 0 HA ASP A 85 2.815 7.822 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.814 9.515 12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.996 8.385 13.354 1.00 0.00 H new ATOM 1253 N TYR A 86 3.961 5.744 11.259 1.00 0.00 N ATOM 1254 CA TYR A 86 4.723 4.597 11.721 1.00 0.00 C ATOM 1255 C TYR A 86 6.209 4.939 11.846 1.00 0.00 C ATOM 1256 O TYR A 86 6.785 5.554 10.949 1.00 0.00 O ATOM 1257 CB TYR A 86 4.549 3.517 10.652 1.00 0.00 C ATOM 1258 CG TYR A 86 5.335 2.234 10.929 1.00 0.00 C ATOM 1259 CD1 TYR A 86 4.816 1.276 11.776 1.00 0.00 C ATOM 1260 CD2 TYR A 86 6.563 2.034 10.331 1.00 0.00 C ATOM 1261 CE1 TYR A 86 5.556 0.069 12.037 1.00 0.00 C ATOM 1262 CE2 TYR A 86 7.303 0.827 10.592 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.763 -0.096 11.432 1.00 0.00 C ATOM 1264 OH TYR A 86 7.462 -1.237 11.678 1.00 0.00 O ATOM 0 H TYR A 86 4.169 6.038 10.304 1.00 0.00 H new ATOM 0 HA TYR A 86 4.374 4.275 12.702 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.490 3.271 10.568 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.860 3.921 9.689 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.855 1.432 12.243 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.969 2.783 9.667 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.162 -0.688 12.698 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.265 0.658 10.131 1.00 0.00 H new ATOM 0 HH TYR A 86 8.305 -1.219 11.178 1.00 0.00 H new ATOM 1274 N ASP A 87 6.787 4.526 12.964 1.00 0.00 N ATOM 1275 CA ASP A 87 8.195 4.781 13.218 1.00 0.00 C ATOM 1276 C ASP A 87 8.446 6.290 13.199 1.00 0.00 C ATOM 1277 O ASP A 87 9.578 6.732 13.007 1.00 0.00 O ATOM 1278 CB ASP A 87 9.073 4.143 12.140 1.00 0.00 C ATOM 1279 CG ASP A 87 10.399 3.569 12.643 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.842 4.023 13.720 1.00 0.00 O ATOM 1281 OD2 ASP A 87 10.939 2.688 11.939 1.00 0.00 O ATOM 0 H ASP A 87 6.306 4.016 13.705 1.00 0.00 H new ATOM 0 HA ASP A 87 8.446 4.353 14.188 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.508 3.345 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.285 4.890 11.375 1.00 0.00 H new ATOM 1286 N GLY A 88 7.372 7.040 13.402 1.00 0.00 N ATOM 1287 CA GLY A 88 7.463 8.490 13.411 1.00 0.00 C ATOM 1288 C GLY A 88 7.245 9.062 12.008 1.00 0.00 C ATOM 1289 O GLY A 88 6.968 10.250 11.855 1.00 0.00 O ATOM 0 H GLY A 88 6.435 6.670 13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.720 8.900 14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.441 8.794 13.784 1.00 0.00 H new ATOM 1293 N TYR A 89 7.379 8.189 11.021 1.00 0.00 N ATOM 1294 CA TYR A 89 7.201 8.592 9.636 1.00 0.00 C ATOM 1295 C TYR A 89 5.740 8.444 9.206 1.00 0.00 C ATOM 1296 O TYR A 89 5.106 7.428 9.488 1.00 0.00 O ATOM 1297 CB TYR A 89 8.063 7.640 8.806 1.00 0.00 C ATOM 1298 CG TYR A 89 9.374 8.257 8.314 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.377 9.523 7.765 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.553 7.547 8.419 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.611 10.104 7.302 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.787 8.128 7.956 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.755 9.378 7.421 1.00 0.00 C ATOM 1304 OH TYR A 89 12.920 9.927 6.983 1.00 0.00 O ATOM 0 H TYR A 89 7.609 7.204 11.152 1.00 0.00 H new ATOM 0 HA TYR A 89 7.482 9.636 9.501 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.291 6.757 9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.487 7.302 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.454 10.078 7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.550 6.556 8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.628 11.094 6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.717 7.583 8.032 1.00 0.00 H new ATOM 0 HH TYR A 89 13.655 9.296 7.132 1.00 0.00 H new ATOM 1314 N ARG A 90 5.248 9.472 8.531 1.00 0.00 N ATOM 1315 CA ARG A 90 3.874 9.469 8.059 1.00 0.00 C ATOM 1316 C ARG A 90 3.754 8.642 6.777 1.00 0.00 C ATOM 1317 O ARG A 90 4.660 8.646 5.945 1.00 0.00 O ATOM 1318 CB ARG A 90 3.382 10.892 7.787 1.00 0.00 C ATOM 1319 CG ARG A 90 4.369 11.653 6.899 1.00 0.00 C ATOM 1320 CD ARG A 90 3.633 12.461 5.828 1.00 0.00 C ATOM 1321 NE ARG A 90 3.530 13.877 6.244 1.00 0.00 N ATOM 1322 CZ ARG A 90 2.834 14.808 5.576 1.00 0.00 C ATOM 1323 NH1 ARG A 90 2.176 14.477 4.457 1.00 0.00 N ATOM 1324 NH2 ARG A 90 2.797 16.069 6.028 1.00 0.00 N ATOM 0 H ARG A 90 5.777 10.313 8.300 1.00 0.00 H new ATOM 0 HA ARG A 90 3.257 9.026 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.405 10.857 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.252 11.422 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.974 12.321 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.053 10.950 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.164 12.390 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.637 12.047 5.668 1.00 0.00 H new ATOM 0 HE ARG A 90 4.019 14.163 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.205 13.517 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.646 15.185 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.298 16.320 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.268 16.778 5.520 1.00 0.00 H new ATOM 1338 N LEU A 91 2.629 7.953 6.659 1.00 0.00 N ATOM 1339 CA LEU A 91 2.379 7.122 5.493 1.00 0.00 C ATOM 1340 C LEU A 91 1.146 7.645 4.754 1.00 0.00 C ATOM 1341 O LEU A 91 0.321 8.348 5.336 1.00 0.00 O ATOM 1342 CB LEU A 91 2.277 5.650 5.896 1.00 0.00 C ATOM 1343 CG LEU A 91 3.323 5.154 6.896 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.858 3.868 7.583 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.687 4.984 6.224 1.00 0.00 C ATOM 0 H LEU A 91 1.880 7.953 7.351 1.00 0.00 H new ATOM 0 HA LEU A 91 3.216 7.180 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.288 5.478 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.348 5.041 4.995 1.00 0.00 H new ATOM 0 HG LEU A 91 3.439 5.910 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.620 3.537 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.926 4.057 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.696 3.093 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.412 4.631 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.606 4.258 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.016 5.942 5.821 1.00 0.00 H new ATOM 1357 N ARG A 92 1.058 7.282 3.483 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.061 7.706 2.659 1.00 0.00 C ATOM 1359 C ARG A 92 -0.718 6.495 1.993 1.00 0.00 C ATOM 1360 O ARG A 92 -0.203 5.968 1.009 1.00 0.00 O ATOM 1361 CB ARG A 92 0.392 8.690 1.579 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.784 9.527 1.072 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.471 11.022 1.161 1.00 0.00 C ATOM 1364 NE ARG A 92 0.006 11.518 -0.150 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.405 12.777 -0.377 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.388 13.675 0.618 1.00 0.00 N ATOM 1367 NH2 ARG A 92 0.822 13.138 -1.598 1.00 0.00 N ATOM 0 H ARG A 92 1.744 6.699 3.003 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.781 8.204 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.164 9.347 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.839 8.144 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.007 9.259 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.675 9.303 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.362 11.571 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.287 11.198 1.924 1.00 0.00 H new ATOM 0 HE ARG A 92 0.033 10.860 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.071 13.400 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.692 14.633 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.836 12.454 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.126 14.096 -1.771 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.847 6.090 2.557 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.580 4.951 2.030 1.00 0.00 C ATOM 1383 C VAL A 93 -3.708 5.451 1.125 1.00 0.00 C ATOM 1384 O VAL A 93 -4.548 6.241 1.553 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.080 4.074 3.179 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.542 2.709 2.665 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.006 3.918 4.258 1.00 0.00 C ATOM 0 H VAL A 93 -2.272 6.530 3.373 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.928 4.325 1.421 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.939 4.571 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.893 2.105 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.354 2.845 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.709 2.203 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.388 3.290 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.120 3.454 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.745 4.899 4.656 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.690 4.970 -0.109 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.701 5.358 -1.078 1.00 0.00 C ATOM 1399 C GLU A 94 -4.766 4.337 -2.216 1.00 0.00 C ATOM 1400 O GLU A 94 -3.789 3.640 -2.485 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.432 6.764 -1.618 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.150 6.795 -2.453 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.599 8.218 -2.559 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.432 9.150 -2.572 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.357 8.342 -2.625 1.00 0.00 O ATOM 0 H GLU A 94 -2.991 4.315 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.669 5.376 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.275 7.091 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.347 7.466 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.402 6.144 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.352 6.404 -3.450 1.00 0.00 H new ATOM 1412 N PHE A 95 -5.927 4.280 -2.852 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.131 3.356 -3.954 1.00 0.00 C ATOM 1414 C PHE A 95 -5.471 3.873 -5.234 1.00 0.00 C ATOM 1415 O PHE A 95 -5.385 5.081 -5.448 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.641 3.255 -4.179 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.385 2.493 -3.080 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.282 1.139 -3.004 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.148 3.169 -2.180 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -8.972 0.431 -1.984 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -9.838 2.461 -1.161 1.00 0.00 C ATOM 1422 CZ PHE A 95 -9.735 1.107 -1.084 1.00 0.00 C ATOM 0 H PHE A 95 -6.736 4.859 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.689 2.389 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.055 4.261 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.823 2.764 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.676 0.602 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.229 4.244 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.891 -0.644 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.445 2.998 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.259 0.569 -0.308 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.008 2.907 -6.073 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.358 3.252 -7.325 1.00 0.00 C ATOM 1434 C PRO A 96 -5.380 3.714 -8.365 1.00 0.00 C ATOM 1435 O PRO A 96 -5.658 3.001 -9.328 1.00 0.00 O ATOM 1436 CB PRO A 96 -3.614 1.994 -7.742 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.247 0.856 -6.958 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.092 1.466 -5.851 1.00 0.00 C ATOM 0 HA PRO A 96 -3.670 4.091 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.703 1.826 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.550 2.077 -7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.863 0.238 -7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.478 0.208 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.123 1.117 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.711 1.194 -4.866 1.00 0.00 H new