USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 68 SER OG : rot 51:sc= -0.523 USER MOD Set 1.2: A 70 HIS : no HD1:sc= 0 X(o=-0.52,f=-0.53) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.43 X(o=-2.9,f=-2.7!) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.48 X(o=-2.9,f=-2.7!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= 0.582 K(o=1.4,f=-4.1!) USER MOD Set 3.2: A 46 SER OG : rot -22:sc= 0.777 USER MOD Set 4.1: A 32 SER OG : rot -104:sc= 1.81 USER MOD Set 4.2: A 48 THR OG1 : rot 98:sc= 1.02 USER MOD Single : A 25 THR OG1 : rot -34:sc= 0.284 USER MOD Single : A 33 SER OG : rot 180:sc=0.000539 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.882! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.46) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0.132 (180deg=0.0524) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= -0.0815 (180deg=-0.968) USER MOD Single : A 80 GLN : amide:sc= -2.24! C(o=-2.2!,f=-9.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -4.92! C(o=-4.9!,f=-5.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 134:sc= 0.768 USER MOD Single : A 93 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.24) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -3.18! C(o=-3.2!,f=-15!) USER MOD Single : A 103 ASN : amide:sc= -4.9! C(o=-4.9!,f=-12!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -164:sc= -0.173 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.606 -8.265 -5.578 1.00 0.00 N ATOM 287 CA ASP A 23 2.360 -9.262 -4.826 1.00 0.00 C ATOM 288 C ASP A 23 2.733 -8.733 -3.445 1.00 0.00 C ATOM 289 O ASP A 23 3.762 -8.079 -3.277 1.00 0.00 O ATOM 290 CB ASP A 23 3.623 -9.660 -5.592 1.00 0.00 C ATOM 291 CG ASP A 23 4.242 -10.938 -5.061 1.00 0.00 C ATOM 292 OD1 ASP A 23 4.252 -11.124 -3.826 1.00 0.00 O ATOM 293 OD2 ASP A 23 4.718 -11.752 -5.880 1.00 0.00 O ATOM 0 HA ASP A 23 1.728 -10.141 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.380 -9.788 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.353 -8.853 -5.529 1.00 0.00 H new ATOM 298 N GLU A 24 1.889 -9.020 -2.459 1.00 0.00 N ATOM 299 CA GLU A 24 2.130 -8.572 -1.093 1.00 0.00 C ATOM 300 C GLU A 24 2.220 -9.759 -0.138 1.00 0.00 C ATOM 301 O GLU A 24 2.080 -9.607 1.076 1.00 0.00 O ATOM 302 CB GLU A 24 1.018 -7.623 -0.640 1.00 0.00 C ATOM 303 CG GLU A 24 1.387 -6.788 0.574 1.00 0.00 C ATOM 304 CD GLU A 24 0.186 -6.107 1.201 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.382 -5.198 0.560 1.00 0.00 O ATOM 306 OE2 GLU A 24 -0.187 -6.483 2.332 1.00 0.00 O ATOM 0 H GLU A 24 1.033 -9.561 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 24 3.082 -8.041 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.762 -6.957 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.125 -8.206 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.867 -7.426 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.117 -6.033 0.283 1.00 0.00 H new ATOM 313 N THR A 25 2.455 -10.943 -0.696 1.00 0.00 N ATOM 314 CA THR A 25 2.563 -12.157 0.103 1.00 0.00 C ATOM 315 C THR A 25 4.013 -12.444 0.475 1.00 0.00 C ATOM 316 O THR A 25 4.291 -13.308 1.306 1.00 0.00 O ATOM 317 CB THR A 25 1.985 -13.374 -0.643 1.00 0.00 C ATOM 318 OG1 THR A 25 1.963 -14.514 0.223 1.00 0.00 O ATOM 319 CG2 THR A 25 2.808 -13.688 -1.883 1.00 0.00 C ATOM 0 H THR A 25 2.574 -11.086 -1.699 1.00 0.00 H new ATOM 0 HA THR A 25 1.985 -11.989 1.012 1.00 0.00 H new ATOM 0 HB THR A 25 0.968 -13.134 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.738 -14.485 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.381 -14.551 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.799 -12.828 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.835 -13.910 -1.592 1.00 0.00 H new ATOM 327 N ARG A 26 4.933 -11.713 -0.146 1.00 0.00 N ATOM 328 CA ARG A 26 6.356 -11.890 0.120 1.00 0.00 C ATOM 329 C ARG A 26 7.060 -10.541 0.235 1.00 0.00 C ATOM 330 O ARG A 26 6.509 -9.507 -0.144 1.00 0.00 O ATOM 331 CB ARG A 26 7.004 -12.723 -0.988 1.00 0.00 C ATOM 332 CG ARG A 26 7.275 -11.937 -2.260 1.00 0.00 C ATOM 333 CD ARG A 26 7.842 -12.828 -3.355 1.00 0.00 C ATOM 334 NE ARG A 26 9.298 -12.922 -3.285 1.00 0.00 N ATOM 335 CZ ARG A 26 9.942 -13.788 -2.510 1.00 0.00 C ATOM 336 NH1 ARG A 26 9.262 -14.629 -1.743 1.00 0.00 N ATOM 337 NH2 ARG A 26 11.268 -13.813 -2.501 1.00 0.00 N ATOM 0 H ARG A 26 4.719 -10.993 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 26 6.460 -12.416 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.943 -13.136 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.355 -13.567 -1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.351 -11.475 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.975 -11.129 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.410 -13.825 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.550 -12.435 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 26 9.850 -12.288 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.242 -14.612 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.759 -15.293 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.794 -13.167 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.762 -14.478 -1.906 1.00 0.00 H new ATOM 351 N VAL A 27 8.280 -10.559 0.761 1.00 0.00 N ATOM 352 CA VAL A 27 9.060 -9.338 0.925 1.00 0.00 C ATOM 353 C VAL A 27 9.800 -8.981 -0.359 1.00 0.00 C ATOM 354 O VAL A 27 10.241 -9.850 -1.112 1.00 0.00 O ATOM 355 CB VAL A 27 10.079 -9.473 2.072 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.377 -9.833 3.372 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.138 -10.508 1.723 1.00 0.00 C ATOM 0 H VAL A 27 8.750 -11.406 1.081 1.00 0.00 H new ATOM 0 HA VAL A 27 8.355 -8.543 1.167 1.00 0.00 H new ATOM 0 HB VAL A 27 10.574 -8.512 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.114 -9.924 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.660 -9.052 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.853 -10.781 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.850 -10.591 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.662 -11.474 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.662 -10.201 0.818 1.00 0.00 H new ATOM 367 N PRO A 28 9.941 -7.673 -0.617 1.00 0.00 N ATOM 368 CA PRO A 28 10.629 -7.170 -1.810 1.00 0.00 C ATOM 369 C PRO A 28 12.132 -7.423 -1.762 1.00 0.00 C ATOM 370 O PRO A 28 12.865 -6.726 -1.061 1.00 0.00 O ATOM 371 CB PRO A 28 10.338 -5.668 -1.781 1.00 0.00 C ATOM 372 CG PRO A 28 10.090 -5.358 -0.345 1.00 0.00 C ATOM 373 CD PRO A 28 9.440 -6.582 0.237 1.00 0.00 C ATOM 0 HA PRO A 28 10.286 -7.666 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.179 -5.094 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.472 -5.421 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.022 -5.128 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.444 -4.486 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.719 -6.728 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.353 -6.513 0.205 1.00 0.00 H new ATOM 381 N GLU A 29 12.584 -8.424 -2.512 1.00 0.00 N ATOM 382 CA GLU A 29 14.000 -8.767 -2.553 1.00 0.00 C ATOM 383 C GLU A 29 14.839 -7.566 -2.981 1.00 0.00 C ATOM 384 O GLU A 29 14.305 -6.538 -3.398 1.00 0.00 O ATOM 385 CB GLU A 29 14.237 -9.936 -3.512 1.00 0.00 C ATOM 386 CG GLU A 29 13.731 -9.679 -4.921 1.00 0.00 C ATOM 387 CD GLU A 29 14.524 -10.433 -5.972 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.946 -11.574 -5.692 1.00 0.00 O ATOM 389 OE2 GLU A 29 14.721 -9.880 -7.075 1.00 0.00 O ATOM 0 H GLU A 29 11.990 -9.010 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 29 14.305 -9.062 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.305 -10.151 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.747 -10.825 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.682 -9.969 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.780 -8.611 -5.131 1.00 0.00 H new ATOM 396 N VAL A 30 16.157 -7.704 -2.875 1.00 0.00 N ATOM 397 CA VAL A 30 17.071 -6.632 -3.252 1.00 0.00 C ATOM 398 C VAL A 30 16.579 -5.903 -4.497 1.00 0.00 C ATOM 399 O VAL A 30 16.095 -6.510 -5.452 1.00 0.00 O ATOM 400 CB VAL A 30 18.490 -7.170 -3.512 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.454 -8.301 -4.529 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.406 -6.050 -3.980 1.00 0.00 C ATOM 0 H VAL A 30 16.616 -8.548 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 30 17.103 -5.934 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 30 18.887 -7.567 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.466 -8.669 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.833 -9.112 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.038 -7.934 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.405 -6.448 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.015 -5.622 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.456 -5.276 -3.214 1.00 0.00 H new ATOM 412 N PRO A 31 16.705 -4.567 -4.488 1.00 0.00 N ATOM 413 CA PRO A 31 16.280 -3.725 -5.610 1.00 0.00 C ATOM 414 C PRO A 31 17.170 -3.899 -6.836 1.00 0.00 C ATOM 415 O PRO A 31 18.225 -4.529 -6.764 1.00 0.00 O ATOM 416 CB PRO A 31 16.406 -2.304 -5.055 1.00 0.00 C ATOM 417 CG PRO A 31 17.434 -2.407 -3.982 1.00 0.00 C ATOM 418 CD PRO A 31 17.272 -3.777 -3.383 1.00 0.00 C ATOM 0 HA PRO A 31 15.276 -3.977 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.712 -1.602 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.455 -1.948 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.437 -2.275 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.291 -1.632 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.226 -4.184 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.609 -3.762 -2.518 1.00 0.00 H new ATOM 426 N SER A 32 16.738 -3.337 -7.960 1.00 0.00 N ATOM 427 CA SER A 32 17.495 -3.434 -9.203 1.00 0.00 C ATOM 428 C SER A 32 18.957 -3.058 -8.979 1.00 0.00 C ATOM 429 O SER A 32 19.864 -3.757 -9.429 1.00 0.00 O ATOM 430 CB SER A 32 16.881 -2.526 -10.270 1.00 0.00 C ATOM 431 OG SER A 32 16.784 -1.190 -9.809 1.00 0.00 O ATOM 0 H SER A 32 15.868 -2.810 -8.036 1.00 0.00 H new ATOM 0 HA SER A 32 17.452 -4.468 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.490 -2.559 -11.174 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.891 -2.894 -10.539 1.00 0.00 H new ATOM 0 HG SER A 32 15.854 -0.992 -9.574 1.00 0.00 H new ATOM 437 N SER A 33 19.176 -1.948 -8.281 1.00 0.00 N ATOM 438 CA SER A 33 20.526 -1.476 -8.000 1.00 0.00 C ATOM 439 C SER A 33 20.496 -0.258 -7.082 1.00 0.00 C ATOM 440 O SER A 33 19.433 0.161 -6.622 1.00 0.00 O ATOM 441 CB SER A 33 21.249 -1.129 -9.303 1.00 0.00 C ATOM 442 OG SER A 33 22.646 -1.333 -9.181 1.00 0.00 O ATOM 0 H SER A 33 18.435 -1.359 -7.900 1.00 0.00 H new ATOM 0 HA SER A 33 21.066 -2.277 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.858 -1.743 -10.114 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.052 -0.090 -9.566 1.00 0.00 H new ATOM 0 HG SER A 33 23.085 -1.106 -10.027 1.00 0.00 H new ATOM 448 N LEU A 34 21.670 0.306 -6.819 1.00 0.00 N ATOM 449 CA LEU A 34 21.780 1.476 -5.955 1.00 0.00 C ATOM 450 C LEU A 34 23.017 2.296 -6.305 1.00 0.00 C ATOM 451 O LEU A 34 24.146 1.815 -6.193 1.00 0.00 O ATOM 452 CB LEU A 34 21.835 1.048 -4.488 1.00 0.00 C ATOM 453 CG LEU A 34 22.523 2.022 -3.530 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.617 3.205 -3.229 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.922 1.313 -2.244 1.00 0.00 C ATOM 0 H LEU A 34 22.559 -0.028 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 34 20.899 2.098 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.815 0.886 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.348 0.088 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 34 23.427 2.396 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.124 3.887 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.382 3.728 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.695 2.849 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.410 2.021 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.033 0.910 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.610 0.499 -2.475 1.00 0.00 H new ATOM 467 N HIS A 35 22.799 3.538 -6.726 1.00 0.00 N ATOM 468 CA HIS A 35 23.897 4.427 -7.089 1.00 0.00 C ATOM 469 C HIS A 35 24.074 5.525 -6.046 1.00 0.00 C ATOM 470 O HIS A 35 23.100 6.022 -5.480 1.00 0.00 O ATOM 471 CB HIS A 35 23.645 5.048 -8.463 1.00 0.00 C ATOM 472 CG HIS A 35 24.517 6.230 -8.755 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.022 7.504 -8.936 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.860 6.327 -8.895 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.022 8.333 -9.177 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.148 7.644 -9.157 1.00 0.00 N ATOM 0 H HIS A 35 21.872 3.952 -6.824 1.00 0.00 H new ATOM 0 HA HIS A 35 24.812 3.837 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.805 4.290 -9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.600 5.352 -8.529 1.00 0.00 H new ATOM 0 HD1 HIS A 35 23.037 7.766 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.572 5.519 -8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.933 9.394 -9.359 1.00 0.00 H new ATOM 485 N VAL A 36 25.325 5.900 -5.795 1.00 0.00 N ATOM 486 CA VAL A 36 25.630 6.940 -4.819 1.00 0.00 C ATOM 487 C VAL A 36 26.634 7.941 -5.380 1.00 0.00 C ATOM 488 O VAL A 36 27.600 7.563 -6.042 1.00 0.00 O ATOM 489 CB VAL A 36 26.193 6.340 -3.517 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.110 5.577 -2.769 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.382 5.440 -3.816 1.00 0.00 C ATOM 0 H VAL A 36 26.143 5.499 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 36 24.694 7.453 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 36 26.535 7.155 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.526 5.160 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.293 6.254 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.734 4.769 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.767 5.025 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.068 4.629 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.164 6.021 -4.305 1.00 0.00 H new ATOM 501 N ARG A 37 26.398 9.221 -5.110 1.00 0.00 N ATOM 502 CA ARG A 37 27.281 10.278 -5.588 1.00 0.00 C ATOM 503 C ARG A 37 27.854 11.077 -4.422 1.00 0.00 C ATOM 504 O ARG A 37 27.158 11.855 -3.769 1.00 0.00 O ATOM 505 CB ARG A 37 26.527 11.211 -6.538 1.00 0.00 C ATOM 506 CG ARG A 37 27.307 12.461 -6.910 1.00 0.00 C ATOM 507 CD ARG A 37 26.423 13.482 -7.609 1.00 0.00 C ATOM 508 NE ARG A 37 27.206 14.470 -8.347 1.00 0.00 N ATOM 509 CZ ARG A 37 27.907 14.185 -9.439 1.00 0.00 C ATOM 510 NH1 ARG A 37 27.923 12.948 -9.917 1.00 0.00 N ATOM 511 NH2 ARG A 37 28.594 15.138 -10.055 1.00 0.00 N ATOM 0 H ARG A 37 25.603 9.551 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 37 28.106 9.812 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.277 10.665 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.586 11.505 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.736 12.904 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.139 12.192 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.748 12.969 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 37 25.802 13.990 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 37 27.215 15.431 -8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.396 12.212 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.462 12.732 -10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.584 16.091 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 37 29.132 14.918 -10.893 1.00 0.00 H new ATOM 525 N PRO A 38 29.153 10.881 -4.151 1.00 0.00 N ATOM 526 CA PRO A 38 29.848 11.574 -3.063 1.00 0.00 C ATOM 527 C PRO A 38 30.031 13.061 -3.345 1.00 0.00 C ATOM 528 O PRO A 38 30.505 13.447 -4.415 1.00 0.00 O ATOM 529 CB PRO A 38 31.207 10.870 -3.005 1.00 0.00 C ATOM 530 CG PRO A 38 31.411 10.327 -4.377 1.00 0.00 C ATOM 531 CD PRO A 38 30.043 9.968 -4.888 1.00 0.00 C ATOM 0 HA PRO A 38 29.288 11.529 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.001 11.565 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.209 10.074 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.887 11.065 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.062 9.453 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.965 10.114 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.801 8.924 -4.690 1.00 0.00 H new ATOM 539 N LEU A 39 29.652 13.892 -2.381 1.00 0.00 N ATOM 540 CA LEU A 39 29.775 15.339 -2.526 1.00 0.00 C ATOM 541 C LEU A 39 30.629 15.928 -1.408 1.00 0.00 C ATOM 542 O LEU A 39 30.725 15.360 -0.320 1.00 0.00 O ATOM 543 CB LEU A 39 28.391 15.991 -2.522 1.00 0.00 C ATOM 544 CG LEU A 39 27.710 16.129 -3.885 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.885 14.891 -4.198 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.839 17.376 -3.921 1.00 0.00 C ATOM 0 H LEU A 39 29.257 13.589 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 39 30.264 15.543 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.739 15.410 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.480 16.984 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 39 28.483 16.227 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.408 15.008 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.534 14.016 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.120 14.761 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.362 17.459 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.073 17.308 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.457 18.256 -3.743 1.00 0.00 H new ATOM 558 N VAL A 40 31.248 17.071 -1.683 1.00 0.00 N ATOM 559 CA VAL A 40 32.093 17.740 -0.700 1.00 0.00 C ATOM 560 C VAL A 40 31.585 17.495 0.717 1.00 0.00 C ATOM 561 O VAL A 40 32.189 16.745 1.484 1.00 0.00 O ATOM 562 CB VAL A 40 32.159 19.257 -0.956 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.068 19.931 0.061 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.631 19.538 -2.374 1.00 0.00 C ATOM 0 H VAL A 40 31.181 17.554 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 40 33.093 17.319 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 40 31.157 19.671 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.102 21.003 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.681 19.759 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.073 19.515 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.672 20.615 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.624 19.111 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.937 19.089 -3.084 1.00 0.00 H new ATOM 574 N THR A 41 30.470 18.134 1.058 1.00 0.00 N ATOM 575 CA THR A 41 29.881 17.987 2.383 1.00 0.00 C ATOM 576 C THR A 41 28.493 17.361 2.301 1.00 0.00 C ATOM 577 O THR A 41 27.664 17.547 3.192 1.00 0.00 O ATOM 578 CB THR A 41 29.777 19.344 3.105 1.00 0.00 C ATOM 579 OG1 THR A 41 29.009 20.260 2.318 1.00 0.00 O ATOM 580 CG2 THR A 41 31.159 19.925 3.365 1.00 0.00 C ATOM 0 H THR A 41 29.957 18.758 0.435 1.00 0.00 H new ATOM 0 HA THR A 41 30.540 17.331 2.951 1.00 0.00 H new ATOM 0 HB THR A 41 29.281 19.185 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.946 21.119 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.061 20.883 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.731 19.238 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.677 20.071 2.417 1.00 0.00 H new ATOM 588 N SER A 42 28.247 16.617 1.227 1.00 0.00 N ATOM 589 CA SER A 42 26.958 15.966 1.028 1.00 0.00 C ATOM 590 C SER A 42 27.125 14.652 0.270 1.00 0.00 C ATOM 591 O SER A 42 28.239 14.261 -0.078 1.00 0.00 O ATOM 592 CB SER A 42 26.007 16.891 0.265 1.00 0.00 C ATOM 593 OG SER A 42 25.938 18.167 0.877 1.00 0.00 O ATOM 0 H SER A 42 28.923 16.450 0.482 1.00 0.00 H new ATOM 0 HA SER A 42 26.533 15.749 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.346 16.996 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.012 16.447 0.230 1.00 0.00 H new ATOM 0 HG SER A 42 25.325 18.740 0.370 1.00 0.00 H new ATOM 599 N ILE A 43 26.009 13.976 0.017 1.00 0.00 N ATOM 600 CA ILE A 43 26.030 12.708 -0.700 1.00 0.00 C ATOM 601 C ILE A 43 24.662 12.388 -1.292 1.00 0.00 C ATOM 602 O ILE A 43 23.717 12.077 -0.566 1.00 0.00 O ATOM 603 CB ILE A 43 26.464 11.549 0.218 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.853 11.822 0.798 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.453 10.235 -0.548 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.391 10.686 1.639 1.00 0.00 C ATOM 0 H ILE A 43 25.079 14.286 0.298 1.00 0.00 H new ATOM 0 HA ILE A 43 26.756 12.814 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 43 25.755 11.473 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.547 12.018 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.813 12.726 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.762 9.426 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.447 10.038 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.143 10.299 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.379 10.949 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.718 10.504 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.464 9.785 1.030 1.00 0.00 H new ATOM 618 N VAL A 44 24.563 12.464 -2.615 1.00 0.00 N ATOM 619 CA VAL A 44 23.311 12.179 -3.306 1.00 0.00 C ATOM 620 C VAL A 44 23.126 10.680 -3.514 1.00 0.00 C ATOM 621 O VAL A 44 23.667 10.102 -4.457 1.00 0.00 O ATOM 622 CB VAL A 44 23.250 12.887 -4.672 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.945 12.565 -5.383 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.417 14.390 -4.501 1.00 0.00 C ATOM 0 H VAL A 44 25.335 12.721 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 44 22.508 12.557 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 44 24.071 12.521 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.920 13.074 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.872 11.489 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.106 12.901 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.371 14.874 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.618 14.775 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.381 14.599 -4.037 1.00 0.00 H new ATOM 634 N VAL A 45 22.358 10.055 -2.627 1.00 0.00 N ATOM 635 CA VAL A 45 22.100 8.623 -2.714 1.00 0.00 C ATOM 636 C VAL A 45 20.897 8.334 -3.604 1.00 0.00 C ATOM 637 O VAL A 45 19.750 8.490 -3.185 1.00 0.00 O ATOM 638 CB VAL A 45 21.854 8.012 -1.322 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.583 6.519 -1.434 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.038 8.280 -0.405 1.00 0.00 C ATOM 0 H VAL A 45 21.904 10.518 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 45 22.989 8.167 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 45 20.973 8.485 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.412 6.105 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.701 6.355 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.442 6.026 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.847 7.841 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.937 7.836 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.180 9.356 -0.299 1.00 0.00 H new ATOM 650 N SER A 46 21.166 7.912 -4.835 1.00 0.00 N ATOM 651 CA SER A 46 20.105 7.604 -5.787 1.00 0.00 C ATOM 652 C SER A 46 19.963 6.096 -5.973 1.00 0.00 C ATOM 653 O SER A 46 20.929 5.406 -6.298 1.00 0.00 O ATOM 654 CB SER A 46 20.390 8.271 -7.134 1.00 0.00 C ATOM 655 OG SER A 46 21.421 7.593 -7.831 1.00 0.00 O ATOM 0 H SER A 46 22.110 7.775 -5.197 1.00 0.00 H new ATOM 0 HA SER A 46 19.168 7.993 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.483 8.279 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.677 9.311 -6.975 1.00 0.00 H new ATOM 0 HG SER A 46 21.965 7.082 -7.195 1.00 0.00 H new ATOM 661 N TRP A 47 18.752 5.593 -5.764 1.00 0.00 N ATOM 662 CA TRP A 47 18.482 4.167 -5.909 1.00 0.00 C ATOM 663 C TRP A 47 17.395 3.921 -6.949 1.00 0.00 C ATOM 664 O TRP A 47 16.870 4.861 -7.548 1.00 0.00 O ATOM 665 CB TRP A 47 18.063 3.568 -4.565 1.00 0.00 C ATOM 666 CG TRP A 47 16.834 4.203 -3.988 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.542 3.800 -4.169 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.783 5.354 -3.139 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.690 4.632 -3.483 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.427 5.593 -2.843 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.750 6.206 -2.599 1.00 0.00 C ATOM 672 CZ2 TRP A 47 15.017 6.648 -2.032 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.342 7.253 -1.795 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.985 7.466 -1.516 1.00 0.00 C ATOM 0 H TRP A 47 17.942 6.151 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 47 19.398 3.682 -6.247 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.886 2.500 -4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.885 3.674 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.235 2.952 -4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.674 4.548 -3.455 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.798 6.049 -2.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.972 6.815 -1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.081 7.919 -1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.698 8.292 -0.882 1.00 0.00 H new ATOM 685 N THR A 48 17.060 2.652 -7.161 1.00 0.00 N ATOM 686 CA THR A 48 16.036 2.284 -8.130 1.00 0.00 C ATOM 687 C THR A 48 15.224 1.088 -7.644 1.00 0.00 C ATOM 688 O THR A 48 15.742 0.175 -7.002 1.00 0.00 O ATOM 689 CB THR A 48 16.654 1.947 -9.500 1.00 0.00 C ATOM 690 OG1 THR A 48 17.775 1.072 -9.330 1.00 0.00 O ATOM 691 CG2 THR A 48 17.096 3.212 -10.220 1.00 0.00 C ATOM 0 H THR A 48 17.483 1.862 -6.674 1.00 0.00 H new ATOM 0 HA THR A 48 15.379 3.147 -8.238 1.00 0.00 H new ATOM 0 HB THR A 48 15.895 1.451 -10.104 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.496 0.147 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.529 2.949 -11.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.235 3.863 -10.374 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.841 3.732 -9.618 1.00 0.00 H new ATOM 699 N PRO A 49 13.919 1.092 -7.957 1.00 0.00 N ATOM 700 CA PRO A 49 13.008 0.013 -7.563 1.00 0.00 C ATOM 701 C PRO A 49 13.286 -1.284 -8.315 1.00 0.00 C ATOM 702 O PRO A 49 13.980 -1.304 -9.331 1.00 0.00 O ATOM 703 CB PRO A 49 11.628 0.561 -7.934 1.00 0.00 C ATOM 704 CG PRO A 49 11.891 1.543 -9.023 1.00 0.00 C ATOM 705 CD PRO A 49 13.234 2.148 -8.720 1.00 0.00 C ATOM 0 HA PRO A 49 13.111 -0.243 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.963 -0.235 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.148 1.037 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.894 1.054 -9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.116 2.309 -9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.776 2.401 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.140 3.066 -8.140 1.00 0.00 H new ATOM 713 N PRO A 50 12.732 -2.394 -7.806 1.00 0.00 N ATOM 714 CA PRO A 50 12.905 -3.717 -8.414 1.00 0.00 C ATOM 715 C PRO A 50 12.171 -3.843 -9.745 1.00 0.00 C ATOM 716 O PRO A 50 11.007 -3.461 -9.860 1.00 0.00 O ATOM 717 CB PRO A 50 12.300 -4.667 -7.378 1.00 0.00 C ATOM 718 CG PRO A 50 11.318 -3.834 -6.628 1.00 0.00 C ATOM 719 CD PRO A 50 11.892 -2.444 -6.596 1.00 0.00 C ATOM 0 HA PRO A 50 13.950 -3.926 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.814 -5.517 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.066 -5.069 -6.715 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.344 -3.843 -7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.171 -4.219 -5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.110 -1.685 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.477 -2.272 -5.693 1.00 0.00 H new ATOM 727 N GLU A 51 12.860 -4.382 -10.747 1.00 0.00 N ATOM 728 CA GLU A 51 12.272 -4.557 -12.069 1.00 0.00 C ATOM 729 C GLU A 51 10.787 -4.892 -11.964 1.00 0.00 C ATOM 730 O GLU A 51 9.960 -4.327 -12.679 1.00 0.00 O ATOM 731 CB GLU A 51 13.002 -5.663 -12.834 1.00 0.00 C ATOM 732 CG GLU A 51 14.182 -5.162 -13.650 1.00 0.00 C ATOM 733 CD GLU A 51 15.479 -5.169 -12.866 1.00 0.00 C ATOM 734 OE1 GLU A 51 15.430 -4.964 -11.635 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.544 -5.379 -13.484 1.00 0.00 O ATOM 0 H GLU A 51 13.824 -4.704 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 51 12.378 -3.618 -12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.354 -6.412 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.296 -6.160 -13.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.295 -5.784 -14.538 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.976 -4.149 -13.995 1.00 0.00 H new ATOM 742 N ASN A 52 10.456 -5.816 -11.068 1.00 0.00 N ATOM 743 CA ASN A 52 9.071 -6.228 -10.870 1.00 0.00 C ATOM 744 C ASN A 52 8.268 -5.124 -10.189 1.00 0.00 C ATOM 745 O ASN A 52 8.464 -4.838 -9.009 1.00 0.00 O ATOM 746 CB ASN A 52 9.013 -7.507 -10.032 1.00 0.00 C ATOM 747 CG ASN A 52 7.707 -8.257 -10.212 1.00 0.00 C ATOM 748 OD1 ASN A 52 6.823 -7.818 -10.948 1.00 0.00 O ATOM 749 ND2 ASN A 52 7.579 -9.393 -9.537 1.00 0.00 N ATOM 0 H ASN A 52 11.128 -6.294 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 52 8.632 -6.422 -11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.843 -8.157 -10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.142 -7.255 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.722 -9.940 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.338 -9.719 -8.938 1.00 0.00 H new ATOM 756 N GLN A 53 7.362 -4.509 -10.943 1.00 0.00 N ATOM 757 CA GLN A 53 6.529 -3.436 -10.412 1.00 0.00 C ATOM 758 C GLN A 53 5.184 -3.976 -9.937 1.00 0.00 C ATOM 759 O GLN A 53 4.152 -3.327 -10.097 1.00 0.00 O ATOM 760 CB GLN A 53 6.312 -2.357 -11.474 1.00 0.00 C ATOM 761 CG GLN A 53 7.487 -1.403 -11.621 1.00 0.00 C ATOM 762 CD GLN A 53 7.379 -0.200 -10.706 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.823 0.833 -11.082 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.912 -0.326 -9.496 1.00 0.00 N ATOM 0 H GLN A 53 7.186 -4.735 -11.922 1.00 0.00 H new ATOM 0 HA GLN A 53 7.046 -2.997 -9.559 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.122 -2.837 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.419 -1.785 -11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.413 -1.937 -11.406 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.548 -1.064 -12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.363 -1.200 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.870 0.451 -8.837 1.00 0.00 H new ATOM 773 N ASN A 54 5.204 -5.169 -9.351 1.00 0.00 N ATOM 774 CA ASN A 54 3.986 -5.797 -8.853 1.00 0.00 C ATOM 775 C ASN A 54 4.036 -5.955 -7.337 1.00 0.00 C ATOM 776 O ASN A 54 3.000 -5.993 -6.672 1.00 0.00 O ATOM 777 CB ASN A 54 3.785 -7.163 -9.513 1.00 0.00 C ATOM 778 CG ASN A 54 3.789 -7.079 -11.028 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.522 -7.807 -11.698 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.970 -6.188 -11.574 1.00 0.00 N ATOM 0 H ASN A 54 6.051 -5.720 -9.210 1.00 0.00 H new ATOM 0 HA ASN A 54 3.145 -5.151 -9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.574 -7.841 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.840 -7.590 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.930 -6.086 -12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.380 -5.606 -10.979 1.00 0.00 H new ATOM 787 N ILE A 55 5.247 -6.047 -6.797 1.00 0.00 N ATOM 788 CA ILE A 55 5.432 -6.199 -5.359 1.00 0.00 C ATOM 789 C ILE A 55 5.133 -4.896 -4.625 1.00 0.00 C ATOM 790 O ILE A 55 5.669 -3.841 -4.968 1.00 0.00 O ATOM 791 CB ILE A 55 6.865 -6.649 -5.020 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.238 -7.892 -5.831 1.00 0.00 C ATOM 793 CG2 ILE A 55 6.996 -6.924 -3.530 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.729 -8.114 -5.946 1.00 0.00 C ATOM 0 H ILE A 55 6.114 -6.019 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 55 4.732 -6.967 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 55 7.553 -5.846 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.783 -8.768 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.814 -7.804 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.015 -7.241 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.768 -6.016 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.300 -7.712 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.919 -9.012 -6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.188 -7.256 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.157 -8.234 -4.951 1.00 0.00 H new ATOM 806 N VAL A 56 4.276 -4.976 -3.613 1.00 0.00 N ATOM 807 CA VAL A 56 3.908 -3.804 -2.827 1.00 0.00 C ATOM 808 C VAL A 56 5.089 -3.301 -2.004 1.00 0.00 C ATOM 809 O VAL A 56 5.512 -3.948 -1.046 1.00 0.00 O ATOM 810 CB VAL A 56 2.730 -4.108 -1.883 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.502 -2.949 -0.924 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.471 -4.405 -2.682 1.00 0.00 C ATOM 0 H VAL A 56 3.823 -5.841 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 56 3.606 -3.031 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 56 2.976 -4.992 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.666 -3.181 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.400 -2.788 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.276 -2.046 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.648 -4.618 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.218 -3.541 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.643 -5.269 -3.324 1.00 0.00 H new ATOM 822 N VAL A 57 5.618 -2.142 -2.384 1.00 0.00 N ATOM 823 CA VAL A 57 6.749 -1.551 -1.680 1.00 0.00 C ATOM 824 C VAL A 57 6.321 -0.321 -0.887 1.00 0.00 C ATOM 825 O VAL A 57 5.939 0.699 -1.462 1.00 0.00 O ATOM 826 CB VAL A 57 7.872 -1.153 -2.656 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.011 -0.473 -1.912 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.373 -2.373 -3.416 1.00 0.00 C ATOM 0 H VAL A 57 5.281 -1.594 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 57 7.126 -2.310 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 57 7.468 -0.443 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.795 -0.199 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.638 0.424 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.417 -1.156 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.166 -2.074 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.761 -3.107 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.551 -2.812 -3.982 1.00 0.00 H new ATOM 838 N ARG A 58 6.388 -0.424 0.436 1.00 0.00 N ATOM 839 CA ARG A 58 6.007 0.680 1.309 1.00 0.00 C ATOM 840 C ARG A 58 7.101 1.744 1.349 1.00 0.00 C ATOM 841 O ARG A 58 6.829 2.935 1.205 1.00 0.00 O ATOM 842 CB ARG A 58 5.726 0.168 2.722 1.00 0.00 C ATOM 843 CG ARG A 58 4.441 -0.636 2.835 1.00 0.00 C ATOM 844 CD ARG A 58 3.247 0.260 3.122 1.00 0.00 C ATOM 845 NE ARG A 58 2.071 -0.507 3.525 1.00 0.00 N ATOM 846 CZ ARG A 58 0.827 -0.051 3.426 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.599 1.161 2.940 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.191 -0.809 3.812 1.00 0.00 N ATOM 0 H ARG A 58 6.703 -1.261 0.927 1.00 0.00 H new ATOM 0 HA ARG A 58 5.100 1.131 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.562 -0.451 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.674 1.017 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.271 -1.185 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.542 -1.375 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.506 0.967 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.011 0.845 2.233 1.00 0.00 H new ATOM 0 HE ARG A 58 2.213 -1.444 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.379 1.746 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.357 1.509 2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.019 -1.743 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.146 -0.458 3.736 1.00 0.00 H new ATOM 862 N GLY A 59 8.340 1.304 1.547 1.00 0.00 N ATOM 863 CA GLY A 59 9.456 2.230 1.605 1.00 0.00 C ATOM 864 C GLY A 59 10.794 1.522 1.686 1.00 0.00 C ATOM 865 O GLY A 59 10.850 0.294 1.763 1.00 0.00 O ATOM 0 H GLY A 59 8.591 0.323 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.440 2.869 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.340 2.880 2.472 1.00 0.00 H new ATOM 869 N TYR A 60 11.873 2.296 1.667 1.00 0.00 N ATOM 870 CA TYR A 60 13.217 1.735 1.735 1.00 0.00 C ATOM 871 C TYR A 60 14.003 2.342 2.894 1.00 0.00 C ATOM 872 O TYR A 60 13.563 3.306 3.519 1.00 0.00 O ATOM 873 CB TYR A 60 13.959 1.974 0.420 1.00 0.00 C ATOM 874 CG TYR A 60 13.134 1.660 -0.807 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.231 2.585 -1.316 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.257 0.439 -1.458 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.473 2.303 -2.437 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.505 0.148 -2.580 1.00 0.00 C ATOM 879 CZ TYR A 60 11.615 1.083 -3.065 1.00 0.00 C ATOM 880 OH TYR A 60 10.863 0.798 -4.182 1.00 0.00 O ATOM 0 H TYR A 60 11.843 3.314 1.605 1.00 0.00 H new ATOM 0 HA TYR A 60 13.127 0.662 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.277 3.016 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.862 1.364 0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.119 3.541 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.953 -0.296 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.774 3.033 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.614 -0.806 -3.074 1.00 0.00 H new ATOM 0 HH TYR A 60 11.083 -0.101 -4.504 1.00 0.00 H new ATOM 890 N ALA A 61 15.170 1.770 3.172 1.00 0.00 N ATOM 891 CA ALA A 61 16.019 2.256 4.253 1.00 0.00 C ATOM 892 C ALA A 61 17.401 2.640 3.734 1.00 0.00 C ATOM 893 O ALA A 61 17.986 1.930 2.915 1.00 0.00 O ATOM 894 CB ALA A 61 16.137 1.203 5.345 1.00 0.00 C ATOM 0 H ALA A 61 15.549 0.971 2.664 1.00 0.00 H new ATOM 0 HA ALA A 61 15.556 3.149 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.774 1.579 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.147 0.979 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.575 0.295 4.929 1.00 0.00 H new ATOM 900 N ILE A 62 17.916 3.766 4.215 1.00 0.00 N ATOM 901 CA ILE A 62 19.230 4.243 3.800 1.00 0.00 C ATOM 902 C ILE A 62 20.190 4.308 4.983 1.00 0.00 C ATOM 903 O ILE A 62 20.069 5.175 5.847 1.00 0.00 O ATOM 904 CB ILE A 62 19.142 5.635 3.147 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.210 5.597 1.935 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.527 6.118 2.742 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.558 6.928 1.630 1.00 0.00 C ATOM 0 H ILE A 62 17.444 4.365 4.892 1.00 0.00 H new ATOM 0 HA ILE A 62 19.608 3.530 3.067 1.00 0.00 H new ATOM 0 HB ILE A 62 18.732 6.336 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.776 5.271 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.433 4.852 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.449 7.103 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.163 6.179 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.962 5.418 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.911 6.825 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.964 7.247 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.328 7.672 1.425 1.00 0.00 H new ATOM 919 N GLY A 63 21.147 3.385 5.013 1.00 0.00 N ATOM 920 CA GLY A 63 22.116 3.356 6.092 1.00 0.00 C ATOM 921 C GLY A 63 23.457 3.931 5.683 1.00 0.00 C ATOM 922 O GLY A 63 23.988 3.594 4.625 1.00 0.00 O ATOM 0 H GLY A 63 21.268 2.657 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.727 3.918 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.252 2.328 6.426 1.00 0.00 H new ATOM 926 N TYR A 64 24.006 4.802 6.522 1.00 0.00 N ATOM 927 CA TYR A 64 25.292 5.429 6.240 1.00 0.00 C ATOM 928 C TYR A 64 26.154 5.494 7.497 1.00 0.00 C ATOM 929 O TYR A 64 25.646 5.430 8.616 1.00 0.00 O ATOM 930 CB TYR A 64 25.085 6.836 5.677 1.00 0.00 C ATOM 931 CG TYR A 64 24.516 7.812 6.682 1.00 0.00 C ATOM 932 CD1 TYR A 64 25.352 8.565 7.498 1.00 0.00 C ATOM 933 CD2 TYR A 64 23.144 7.982 6.815 1.00 0.00 C ATOM 934 CE1 TYR A 64 24.837 9.458 8.418 1.00 0.00 C ATOM 935 CE2 TYR A 64 22.620 8.874 7.731 1.00 0.00 C ATOM 936 CZ TYR A 64 23.470 9.609 8.530 1.00 0.00 C ATOM 937 OH TYR A 64 22.953 10.498 9.444 1.00 0.00 O ATOM 0 H TYR A 64 23.581 5.090 7.403 1.00 0.00 H new ATOM 0 HA TYR A 64 25.809 4.820 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.039 7.217 5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.416 6.780 4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 64 26.422 8.450 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 64 22.475 7.407 6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 64 25.500 10.034 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 64 21.551 8.995 7.821 1.00 0.00 H new ATOM 0 HH TYR A 64 21.974 10.485 9.396 1.00 0.00 H new ATOM 947 N GLY A 65 27.463 5.621 7.304 1.00 0.00 N ATOM 948 CA GLY A 65 28.376 5.694 8.429 1.00 0.00 C ATOM 949 C GLY A 65 29.741 5.119 8.107 1.00 0.00 C ATOM 950 O GLY A 65 29.849 4.124 7.390 1.00 0.00 O ATOM 0 H GLY A 65 27.908 5.675 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.487 6.734 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 65 27.949 5.156 9.275 1.00 0.00 H new ATOM 954 N ILE A 66 30.786 5.748 8.635 1.00 0.00 N ATOM 955 CA ILE A 66 32.150 5.293 8.398 1.00 0.00 C ATOM 956 C ILE A 66 32.408 3.951 9.076 1.00 0.00 C ATOM 957 O ILE A 66 32.334 3.837 10.299 1.00 0.00 O ATOM 958 CB ILE A 66 33.181 6.318 8.906 1.00 0.00 C ATOM 959 CG1 ILE A 66 33.123 7.593 8.062 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.580 5.721 8.876 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.133 8.614 8.577 1.00 0.00 C ATOM 0 H ILE A 66 30.714 6.574 9.229 1.00 0.00 H new ATOM 0 HA ILE A 66 32.262 5.180 7.320 1.00 0.00 H new ATOM 0 HB ILE A 66 32.938 6.575 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 66 34.115 8.044 8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 66 32.861 7.329 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.298 6.457 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.613 4.838 9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.833 5.439 7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.145 9.491 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 66 31.133 8.181 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.406 8.907 9.591 1.00 0.00 H new ATOM 973 N GLY A 67 32.713 2.937 8.272 1.00 0.00 N ATOM 974 CA GLY A 67 32.980 1.617 8.812 1.00 0.00 C ATOM 975 C GLY A 67 31.791 0.685 8.679 1.00 0.00 C ATOM 976 O GLY A 67 31.945 -0.480 8.315 1.00 0.00 O ATOM 0 H GLY A 67 32.780 3.006 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.837 1.183 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.252 1.706 9.864 1.00 0.00 H new ATOM 980 N SER A 68 30.602 1.200 8.976 1.00 0.00 N ATOM 981 CA SER A 68 29.383 0.404 8.892 1.00 0.00 C ATOM 982 C SER A 68 28.155 1.302 8.777 1.00 0.00 C ATOM 983 O SER A 68 28.062 2.354 9.410 1.00 0.00 O ATOM 984 CB SER A 68 29.254 -0.500 10.120 1.00 0.00 C ATOM 985 OG SER A 68 28.557 -1.693 9.803 1.00 0.00 O ATOM 0 H SER A 68 30.457 2.164 9.277 1.00 0.00 H new ATOM 0 HA SER A 68 29.444 -0.216 7.997 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.245 -0.744 10.501 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.729 0.032 10.914 1.00 0.00 H new ATOM 0 HG SER A 68 28.959 -2.106 9.010 1.00 0.00 H new ATOM 991 N PRO A 69 27.189 0.879 7.948 1.00 0.00 N ATOM 992 CA PRO A 69 25.948 1.629 7.730 1.00 0.00 C ATOM 993 C PRO A 69 25.040 1.615 8.954 1.00 0.00 C ATOM 994 O PRO A 69 24.198 2.498 9.124 1.00 0.00 O ATOM 995 CB PRO A 69 25.287 0.888 6.564 1.00 0.00 C ATOM 996 CG PRO A 69 25.829 -0.497 6.640 1.00 0.00 C ATOM 997 CD PRO A 69 27.233 -0.365 7.161 1.00 0.00 C ATOM 0 HA PRO A 69 26.138 2.684 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.201 0.894 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.529 1.356 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.224 -1.117 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.820 -0.974 5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.516 -1.220 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.958 -0.302 6.350 1.00 0.00 H new ATOM 1005 N HIS A 70 25.215 0.609 9.804 1.00 0.00 N ATOM 1006 CA HIS A 70 24.410 0.482 11.014 1.00 0.00 C ATOM 1007 C HIS A 70 24.451 1.770 11.831 1.00 0.00 C ATOM 1008 O HIS A 70 23.506 2.088 12.553 1.00 0.00 O ATOM 1009 CB HIS A 70 24.907 -0.690 11.862 1.00 0.00 C ATOM 1010 CG HIS A 70 24.603 -2.030 11.268 1.00 0.00 C ATOM 1011 ND1 HIS A 70 23.391 -2.668 11.433 1.00 0.00 N ATOM 1012 CD2 HIS A 70 25.359 -2.854 10.506 1.00 0.00 C ATOM 1013 CE1 HIS A 70 23.417 -3.827 10.799 1.00 0.00 C ATOM 1014 NE2 HIS A 70 24.600 -3.963 10.227 1.00 0.00 N ATOM 0 H HIS A 70 25.907 -0.130 9.678 1.00 0.00 H new ATOM 0 HA HIS A 70 23.378 0.294 10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.985 -0.598 11.998 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.454 -0.629 12.852 1.00 0.00 H new ATOM 0 HD2 HIS A 70 26.372 -2.673 10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 70 22.608 -4.542 10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 70 24.900 -4.762 9.669 1.00 0.00 H new ATOM 1023 N ALA A 71 25.551 2.505 11.713 1.00 0.00 N ATOM 1024 CA ALA A 71 25.714 3.759 12.440 1.00 0.00 C ATOM 1025 C ALA A 71 24.419 4.564 12.441 1.00 0.00 C ATOM 1026 O ALA A 71 23.820 4.790 13.492 1.00 0.00 O ATOM 1027 CB ALA A 71 26.846 4.576 11.835 1.00 0.00 C ATOM 0 H ALA A 71 26.343 2.255 11.121 1.00 0.00 H new ATOM 0 HA ALA A 71 25.965 3.522 13.474 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.957 5.509 12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.775 4.009 11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.619 4.796 10.792 1.00 0.00 H new ATOM 1033 N GLN A 72 23.994 4.995 11.258 1.00 0.00 N ATOM 1034 CA GLN A 72 22.771 5.777 11.125 1.00 0.00 C ATOM 1035 C GLN A 72 21.899 5.236 9.997 1.00 0.00 C ATOM 1036 O GLN A 72 22.400 4.650 9.037 1.00 0.00 O ATOM 1037 CB GLN A 72 23.106 7.247 10.866 1.00 0.00 C ATOM 1038 CG GLN A 72 23.375 8.042 12.134 1.00 0.00 C ATOM 1039 CD GLN A 72 22.275 7.887 13.165 1.00 0.00 C ATOM 1040 OE1 GLN A 72 21.205 8.485 13.044 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.531 7.079 14.188 1.00 0.00 N ATOM 0 H GLN A 72 24.478 4.816 10.378 1.00 0.00 H new ATOM 0 HA GLN A 72 22.215 5.697 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.982 7.303 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.280 7.709 10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.322 7.719 12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.484 9.097 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.431 6.603 14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.827 6.935 14.912 1.00 0.00 H new ATOM 1050 N THR A 73 20.590 5.436 10.118 1.00 0.00 N ATOM 1051 CA THR A 73 19.648 4.967 9.110 1.00 0.00 C ATOM 1052 C THR A 73 18.593 6.025 8.809 1.00 0.00 C ATOM 1053 O THR A 73 18.125 6.722 9.709 1.00 0.00 O ATOM 1054 CB THR A 73 18.946 3.671 9.557 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.916 2.646 9.799 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.956 3.200 8.502 1.00 0.00 C ATOM 0 H THR A 73 20.158 5.920 10.905 1.00 0.00 H new ATOM 0 HA THR A 73 20.225 4.766 8.207 1.00 0.00 H new ATOM 0 HB THR A 73 18.401 3.879 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.461 1.826 10.084 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.473 2.283 8.840 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.201 3.970 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.484 3.009 7.568 1.00 0.00 H new ATOM 1064 N ILE A 74 18.223 6.140 7.538 1.00 0.00 N ATOM 1065 CA ILE A 74 17.221 7.112 7.119 1.00 0.00 C ATOM 1066 C ILE A 74 16.091 6.440 6.347 1.00 0.00 C ATOM 1067 O ILE A 74 16.329 5.729 5.370 1.00 0.00 O ATOM 1068 CB ILE A 74 17.841 8.217 6.243 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.897 8.992 7.033 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.759 9.156 5.731 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.823 9.811 6.161 1.00 0.00 C ATOM 0 H ILE A 74 18.602 5.572 6.780 1.00 0.00 H new ATOM 0 HA ILE A 74 16.819 7.562 8.027 1.00 0.00 H new ATOM 0 HB ILE A 74 18.326 7.751 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.397 9.654 7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.490 8.289 7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.212 9.931 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.040 8.593 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.248 9.618 6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.546 10.334 6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.351 9.152 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.241 10.538 5.595 1.00 0.00 H new ATOM 1083 N LYS A 75 14.860 6.671 6.789 1.00 0.00 N ATOM 1084 CA LYS A 75 13.691 6.091 6.139 1.00 0.00 C ATOM 1085 C LYS A 75 12.906 7.156 5.380 1.00 0.00 C ATOM 1086 O LYS A 75 12.713 8.268 5.872 1.00 0.00 O ATOM 1087 CB LYS A 75 12.788 5.417 7.174 1.00 0.00 C ATOM 1088 CG LYS A 75 13.332 4.096 7.688 1.00 0.00 C ATOM 1089 CD LYS A 75 13.178 2.991 6.657 1.00 0.00 C ATOM 1090 CE LYS A 75 13.375 1.617 7.279 1.00 0.00 C ATOM 1091 NZ LYS A 75 12.244 1.245 8.173 1.00 0.00 N ATOM 0 H LYS A 75 14.646 7.257 7.596 1.00 0.00 H new ATOM 0 HA LYS A 75 14.037 5.343 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.647 6.094 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.806 5.248 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.385 4.211 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.809 3.817 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.188 3.049 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.902 3.136 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.474 0.872 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.305 1.605 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.329 0.244 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.268 1.837 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.344 1.394 7.674 1.00 0.00 H new ATOM 1105 N VAL A 76 12.454 6.809 4.179 1.00 0.00 N ATOM 1106 CA VAL A 76 11.688 7.735 3.354 1.00 0.00 C ATOM 1107 C VAL A 76 10.509 7.032 2.689 1.00 0.00 C ATOM 1108 O VAL A 76 10.248 5.857 2.948 1.00 0.00 O ATOM 1109 CB VAL A 76 12.568 8.377 2.265 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.620 9.280 2.893 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.219 7.304 1.405 1.00 0.00 C ATOM 0 H VAL A 76 12.605 5.893 3.756 1.00 0.00 H new ATOM 0 HA VAL A 76 11.316 8.516 4.017 1.00 0.00 H new ATOM 0 HB VAL A 76 11.934 8.989 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.233 9.725 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.129 10.070 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.253 8.693 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.837 7.775 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.841 6.664 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.446 6.703 0.926 1.00 0.00 H new ATOM 1121 N ASP A 77 9.802 7.759 1.831 1.00 0.00 N ATOM 1122 CA ASP A 77 8.651 7.205 1.127 1.00 0.00 C ATOM 1123 C ASP A 77 9.059 6.662 -0.239 1.00 0.00 C ATOM 1124 O ASP A 77 10.050 7.103 -0.822 1.00 0.00 O ATOM 1125 CB ASP A 77 7.565 8.269 0.964 1.00 0.00 C ATOM 1126 CG ASP A 77 6.832 8.552 2.260 1.00 0.00 C ATOM 1127 OD1 ASP A 77 6.154 7.636 2.770 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.935 9.690 2.765 1.00 0.00 O ATOM 0 H ASP A 77 10.005 8.733 1.606 1.00 0.00 H new ATOM 0 HA ASP A 77 8.255 6.382 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.016 9.191 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.850 7.941 0.210 1.00 0.00 H new ATOM 1133 N TYR A 78 8.289 5.704 -0.743 1.00 0.00 N ATOM 1134 CA TYR A 78 8.573 5.099 -2.039 1.00 0.00 C ATOM 1135 C TYR A 78 8.846 6.169 -3.092 1.00 0.00 C ATOM 1136 O TYR A 78 9.873 6.142 -3.771 1.00 0.00 O ATOM 1137 CB TYR A 78 7.402 4.220 -2.482 1.00 0.00 C ATOM 1138 CG TYR A 78 6.053 4.885 -2.327 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.511 5.647 -3.355 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.321 4.752 -1.154 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.279 6.257 -3.218 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.088 5.357 -1.009 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.571 6.109 -2.043 1.00 0.00 C ATOM 1144 OH TYR A 78 2.343 6.714 -1.902 1.00 0.00 O ATOM 0 H TYR A 78 7.464 5.330 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 78 9.465 4.481 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.543 3.941 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.412 3.297 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.062 5.764 -4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.723 4.165 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.872 6.847 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.532 5.242 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 78 1.977 6.509 -1.016 1.00 0.00 H new ATOM 1154 N LYS A 79 7.919 7.113 -3.222 1.00 0.00 N ATOM 1155 CA LYS A 79 8.059 8.195 -4.189 1.00 0.00 C ATOM 1156 C LYS A 79 9.509 8.655 -4.285 1.00 0.00 C ATOM 1157 O LYS A 79 10.051 8.805 -5.380 1.00 0.00 O ATOM 1158 CB LYS A 79 7.163 9.373 -3.800 1.00 0.00 C ATOM 1159 CG LYS A 79 5.681 9.040 -3.810 1.00 0.00 C ATOM 1160 CD LYS A 79 4.827 10.296 -3.776 1.00 0.00 C ATOM 1161 CE LYS A 79 4.544 10.816 -5.178 1.00 0.00 C ATOM 1162 NZ LYS A 79 5.580 11.786 -5.629 1.00 0.00 N ATOM 0 H LYS A 79 7.063 7.150 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 79 7.751 7.819 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.443 9.718 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.346 10.200 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.443 8.461 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.442 8.413 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.886 10.084 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.335 11.067 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.503 9.979 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.565 11.295 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.160 12.450 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.942 12.313 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.362 11.273 -6.083 1.00 0.00 H new ATOM 1176 N GLN A 80 10.133 8.877 -3.133 1.00 0.00 N ATOM 1177 CA GLN A 80 11.521 9.320 -3.088 1.00 0.00 C ATOM 1178 C GLN A 80 12.415 8.393 -3.906 1.00 0.00 C ATOM 1179 O GLN A 80 12.404 7.177 -3.715 1.00 0.00 O ATOM 1180 CB GLN A 80 12.015 9.377 -1.642 1.00 0.00 C ATOM 1181 CG GLN A 80 11.447 10.545 -0.851 1.00 0.00 C ATOM 1182 CD GLN A 80 10.008 10.851 -1.215 1.00 0.00 C ATOM 1183 OE1 GLN A 80 9.133 9.990 -1.114 1.00 0.00 O ATOM 1184 NE2 GLN A 80 9.754 12.083 -1.642 1.00 0.00 N ATOM 0 H GLN A 80 9.699 8.757 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 80 11.570 10.319 -3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.751 8.446 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.103 9.443 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.509 10.322 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.058 11.430 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.509 12.765 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.804 12.347 -1.902 1.00 0.00 H new ATOM 1193 N ARG A 81 13.186 8.976 -4.819 1.00 0.00 N ATOM 1194 CA ARG A 81 14.084 8.201 -5.667 1.00 0.00 C ATOM 1195 C ARG A 81 15.515 8.262 -5.141 1.00 0.00 C ATOM 1196 O ARG A 81 16.271 7.297 -5.259 1.00 0.00 O ATOM 1197 CB ARG A 81 14.035 8.720 -7.105 1.00 0.00 C ATOM 1198 CG ARG A 81 14.325 7.653 -8.148 1.00 0.00 C ATOM 1199 CD ARG A 81 15.811 7.568 -8.459 1.00 0.00 C ATOM 1200 NE ARG A 81 16.249 8.647 -9.340 1.00 0.00 N ATOM 1201 CZ ARG A 81 17.350 8.591 -10.080 1.00 0.00 C ATOM 1202 NH1 ARG A 81 18.121 7.513 -10.046 1.00 0.00 N ATOM 1203 NH2 ARG A 81 17.682 9.614 -10.858 1.00 0.00 N ATOM 0 H ARG A 81 13.207 9.981 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 81 13.753 7.162 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.049 9.144 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.757 9.529 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.971 6.686 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.773 7.876 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.379 7.606 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.029 6.608 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 81 15.678 9.490 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.869 6.724 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.966 7.472 -10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.091 10.445 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.528 9.569 -11.426 1.00 0.00 H new ATOM 1217 N TYR A 82 15.879 9.400 -4.562 1.00 0.00 N ATOM 1218 CA TYR A 82 17.220 9.588 -4.021 1.00 0.00 C ATOM 1219 C TYR A 82 17.195 10.515 -2.810 1.00 0.00 C ATOM 1220 O TYR A 82 16.267 11.307 -2.640 1.00 0.00 O ATOM 1221 CB TYR A 82 18.151 10.157 -5.094 1.00 0.00 C ATOM 1222 CG TYR A 82 17.844 11.591 -5.462 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.868 11.894 -6.403 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.531 12.643 -4.868 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.585 13.203 -6.743 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.254 13.955 -5.201 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.281 14.230 -6.139 1.00 0.00 C ATOM 1228 OH TYR A 82 17.001 15.535 -6.474 1.00 0.00 O ATOM 0 H TYR A 82 15.264 10.207 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 82 17.595 8.615 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.180 10.093 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 82 18.082 9.538 -5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.321 11.092 -6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.294 12.431 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.824 13.421 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.797 14.761 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 82 17.578 16.136 -5.958 1.00 0.00 H new ATOM 1238 N TYR A 83 18.220 10.411 -1.972 1.00 0.00 N ATOM 1239 CA TYR A 83 18.315 11.238 -0.775 1.00 0.00 C ATOM 1240 C TYR A 83 19.656 11.964 -0.721 1.00 0.00 C ATOM 1241 O TYR A 83 20.715 11.350 -0.850 1.00 0.00 O ATOM 1242 CB TYR A 83 18.136 10.381 0.478 1.00 0.00 C ATOM 1243 CG TYR A 83 17.743 11.175 1.704 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.708 11.738 2.530 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.406 11.362 2.035 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.353 12.464 3.651 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.043 12.087 3.153 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.019 12.636 3.958 1.00 0.00 C ATOM 1249 OH TYR A 83 16.662 13.359 5.073 1.00 0.00 O ATOM 0 H TYR A 83 18.997 9.762 -2.099 1.00 0.00 H new ATOM 0 HA TYR A 83 17.520 11.982 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.374 9.625 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 83 19.067 9.851 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.753 11.606 2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.639 10.933 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.116 12.894 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.000 12.223 3.396 1.00 0.00 H new ATOM 0 HH TYR A 83 15.685 13.387 5.146 1.00 0.00 H new ATOM 1259 N THR A 84 19.603 13.279 -0.528 1.00 0.00 N ATOM 1260 CA THR A 84 20.811 14.091 -0.456 1.00 0.00 C ATOM 1261 C THR A 84 21.218 14.344 0.991 1.00 0.00 C ATOM 1262 O THR A 84 20.744 15.290 1.622 1.00 0.00 O ATOM 1263 CB THR A 84 20.622 15.443 -1.169 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.321 15.229 -2.552 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.873 16.300 -1.043 1.00 0.00 C ATOM 0 H THR A 84 18.735 13.804 -0.419 1.00 0.00 H new ATOM 0 HA THR A 84 21.599 13.531 -0.959 1.00 0.00 H new ATOM 0 HB THR A 84 19.792 15.967 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.201 16.093 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.716 17.250 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.083 16.485 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.717 15.780 -1.495 1.00 0.00 H new ATOM 1273 N ILE A 85 22.097 13.495 1.511 1.00 0.00 N ATOM 1274 CA ILE A 85 22.569 13.630 2.884 1.00 0.00 C ATOM 1275 C ILE A 85 23.541 14.797 3.020 1.00 0.00 C ATOM 1276 O ILE A 85 24.697 14.705 2.608 1.00 0.00 O ATOM 1277 CB ILE A 85 23.259 12.342 3.371 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.374 11.126 3.091 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.579 12.441 4.855 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.103 9.806 3.217 1.00 0.00 C ATOM 0 H ILE A 85 22.497 12.706 1.003 1.00 0.00 H new ATOM 0 HA ILE A 85 21.691 13.818 3.502 1.00 0.00 H new ATOM 0 HB ILE A 85 24.195 12.220 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.531 11.134 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.963 11.210 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.066 11.523 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.244 13.287 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.656 12.584 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.414 8.988 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.930 9.778 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.491 9.700 4.230 1.00 0.00 H new ATOM 1292 N GLU A 86 23.064 15.893 3.602 1.00 0.00 N ATOM 1293 CA GLU A 86 23.892 17.078 3.792 1.00 0.00 C ATOM 1294 C GLU A 86 24.561 17.059 5.164 1.00 0.00 C ATOM 1295 O GLU A 86 24.431 16.094 5.916 1.00 0.00 O ATOM 1296 CB GLU A 86 23.049 18.346 3.642 1.00 0.00 C ATOM 1297 CG GLU A 86 22.621 18.626 2.211 1.00 0.00 C ATOM 1298 CD GLU A 86 21.898 19.950 2.066 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.745 20.052 2.536 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.485 20.886 1.484 1.00 0.00 O ATOM 0 H GLU A 86 22.109 15.985 3.950 1.00 0.00 H new ATOM 0 HA GLU A 86 24.669 17.074 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.161 18.258 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.618 19.197 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.500 18.624 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.971 17.822 1.866 1.00 0.00 H new ATOM 1307 N ASN A 87 25.277 18.132 5.481 1.00 0.00 N ATOM 1308 CA ASN A 87 25.968 18.239 6.761 1.00 0.00 C ATOM 1309 C ASN A 87 26.770 16.975 7.054 1.00 0.00 C ATOM 1310 O ASN A 87 26.631 16.371 8.118 1.00 0.00 O ATOM 1311 CB ASN A 87 24.964 18.492 7.887 1.00 0.00 C ATOM 1312 CG ASN A 87 23.643 17.785 7.652 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.441 16.657 8.102 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.735 18.447 6.945 1.00 0.00 N ATOM 0 H ASN A 87 25.394 18.940 4.870 1.00 0.00 H new ATOM 0 HA ASN A 87 26.658 19.081 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.390 18.156 8.832 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.788 19.564 7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.827 18.022 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.945 19.380 6.591 1.00 0.00 H new ATOM 1321 N LEU A 88 27.609 16.580 6.103 1.00 0.00 N ATOM 1322 CA LEU A 88 28.435 15.387 6.258 1.00 0.00 C ATOM 1323 C LEU A 88 29.902 15.761 6.440 1.00 0.00 C ATOM 1324 O LEU A 88 30.249 16.940 6.511 1.00 0.00 O ATOM 1325 CB LEU A 88 28.276 14.472 5.043 1.00 0.00 C ATOM 1326 CG LEU A 88 26.971 13.678 4.965 1.00 0.00 C ATOM 1327 CD1 LEU A 88 26.873 12.941 3.639 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.871 12.703 6.129 1.00 0.00 C ATOM 0 H LEU A 88 27.736 17.068 5.216 1.00 0.00 H new ATOM 0 HA LEU A 88 28.102 14.857 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.362 15.080 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.108 13.767 5.033 1.00 0.00 H new ATOM 0 HG LEU A 88 26.137 14.377 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 88 25.938 12.382 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 88 26.898 13.660 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.712 12.252 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.937 12.146 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.711 12.009 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.894 13.255 7.069 1.00 0.00 H new ATOM 1340 N ASP A 89 30.760 14.749 6.512 1.00 0.00 N ATOM 1341 CA ASP A 89 32.191 14.971 6.682 1.00 0.00 C ATOM 1342 C ASP A 89 32.948 14.644 5.398 1.00 0.00 C ATOM 1343 O ASP A 89 32.936 13.513 4.912 1.00 0.00 O ATOM 1344 CB ASP A 89 32.727 14.121 7.835 1.00 0.00 C ATOM 1345 CG ASP A 89 34.218 14.304 8.045 1.00 0.00 C ATOM 1346 OD1 ASP A 89 34.609 15.320 8.657 1.00 0.00 O ATOM 1347 OD2 ASP A 89 34.992 13.433 7.598 1.00 0.00 O ATOM 0 H ASP A 89 30.489 13.767 6.455 1.00 0.00 H new ATOM 0 HA ASP A 89 32.345 16.025 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.199 14.383 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.517 13.070 7.636 1.00 0.00 H new ATOM 1352 N PRO A 90 33.622 15.657 4.834 1.00 0.00 N ATOM 1353 CA PRO A 90 34.397 15.502 3.599 1.00 0.00 C ATOM 1354 C PRO A 90 35.647 14.653 3.802 1.00 0.00 C ATOM 1355 O PRO A 90 36.066 14.408 4.933 1.00 0.00 O ATOM 1356 CB PRO A 90 34.779 16.939 3.237 1.00 0.00 C ATOM 1357 CG PRO A 90 34.762 17.673 4.533 1.00 0.00 C ATOM 1358 CD PRO A 90 33.681 17.031 5.359 1.00 0.00 C ATOM 0 HA PRO A 90 33.829 14.989 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.763 16.982 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.072 17.370 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.728 17.604 5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.558 18.733 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 90 33.925 17.045 6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.728 17.547 5.244 1.00 0.00 H new ATOM 1366 N SER A 91 36.240 14.208 2.698 1.00 0.00 N ATOM 1367 CA SER A 91 37.441 13.383 2.755 1.00 0.00 C ATOM 1368 C SER A 91 37.227 12.172 3.658 1.00 0.00 C ATOM 1369 O SER A 91 38.040 11.888 4.538 1.00 0.00 O ATOM 1370 CB SER A 91 38.627 14.207 3.261 1.00 0.00 C ATOM 1371 OG SER A 91 39.327 14.808 2.185 1.00 0.00 O ATOM 0 H SER A 91 35.908 14.405 1.754 1.00 0.00 H new ATOM 0 HA SER A 91 37.656 13.029 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.272 14.979 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.304 13.567 3.827 1.00 0.00 H new ATOM 0 HG SER A 91 40.079 15.330 2.535 1.00 0.00 H new ATOM 1377 N SER A 92 36.126 11.462 3.433 1.00 0.00 N ATOM 1378 CA SER A 92 35.801 10.284 4.228 1.00 0.00 C ATOM 1379 C SER A 92 34.924 9.319 3.436 1.00 0.00 C ATOM 1380 O SER A 92 33.942 9.724 2.812 1.00 0.00 O ATOM 1381 CB SER A 92 35.091 10.694 5.520 1.00 0.00 C ATOM 1382 OG SER A 92 36.023 10.955 6.554 1.00 0.00 O ATOM 0 H SER A 92 35.444 11.682 2.707 1.00 0.00 H new ATOM 0 HA SER A 92 36.733 9.778 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.485 11.582 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.410 9.902 5.831 1.00 0.00 H new ATOM 0 HG SER A 92 35.786 11.793 7.004 1.00 0.00 H new ATOM 1388 N HIS A 93 35.285 8.040 3.466 1.00 0.00 N ATOM 1389 CA HIS A 93 34.531 7.016 2.751 1.00 0.00 C ATOM 1390 C HIS A 93 33.280 6.620 3.530 1.00 0.00 C ATOM 1391 O HIS A 93 33.369 6.020 4.601 1.00 0.00 O ATOM 1392 CB HIS A 93 35.406 5.786 2.507 1.00 0.00 C ATOM 1393 CG HIS A 93 34.623 4.546 2.202 1.00 0.00 C ATOM 1394 ND1 HIS A 93 34.930 3.312 2.736 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.540 4.354 1.413 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.070 2.415 2.289 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.216 3.022 1.484 1.00 0.00 N ATOM 0 H HIS A 93 36.094 7.688 3.977 1.00 0.00 H new ATOM 0 HA HIS A 93 34.223 7.429 1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.084 5.991 1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.023 5.609 3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.027 5.108 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.066 1.364 2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.442 2.574 0.995 1.00 0.00 H new ATOM 1406 N TYR A 94 32.118 6.959 2.985 1.00 0.00 N ATOM 1407 CA TYR A 94 30.849 6.641 3.630 1.00 0.00 C ATOM 1408 C TYR A 94 30.190 5.434 2.970 1.00 0.00 C ATOM 1409 O TYR A 94 29.979 5.412 1.758 1.00 0.00 O ATOM 1410 CB TYR A 94 29.908 7.845 3.571 1.00 0.00 C ATOM 1411 CG TYR A 94 30.073 8.800 4.732 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.040 9.797 4.705 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.261 8.706 5.856 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.195 10.671 5.764 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.407 9.576 6.918 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.376 10.556 6.868 1.00 0.00 C ATOM 1417 OH TYR A 94 30.526 11.426 7.924 1.00 0.00 O ATOM 0 H TYR A 94 32.028 7.454 2.098 1.00 0.00 H new ATOM 0 HA TYR A 94 31.051 6.397 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.080 8.385 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 94 28.878 7.490 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.682 9.891 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.502 7.939 5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 94 31.953 11.440 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 94 28.766 9.490 7.783 1.00 0.00 H new ATOM 0 HH TYR A 94 29.871 11.211 8.621 1.00 0.00 H new ATOM 1427 N VAL A 95 29.867 4.429 3.779 1.00 0.00 N ATOM 1428 CA VAL A 95 29.230 3.218 3.276 1.00 0.00 C ATOM 1429 C VAL A 95 27.712 3.354 3.278 1.00 0.00 C ATOM 1430 O VAL A 95 27.071 3.257 4.325 1.00 0.00 O ATOM 1431 CB VAL A 95 29.625 1.987 4.114 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.930 0.739 3.591 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.135 1.806 4.114 1.00 0.00 C ATOM 0 H VAL A 95 30.036 4.430 4.785 1.00 0.00 H new ATOM 0 HA VAL A 95 29.578 3.079 2.252 1.00 0.00 H new ATOM 0 HB VAL A 95 29.301 2.150 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.221 -0.120 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.850 0.873 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.220 0.568 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.397 0.932 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.485 1.665 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.608 2.691 4.540 1.00 0.00 H new ATOM 1443 N ILE A 96 27.142 3.579 2.099 1.00 0.00 N ATOM 1444 CA ILE A 96 25.698 3.727 1.964 1.00 0.00 C ATOM 1445 C ILE A 96 25.045 2.407 1.567 1.00 0.00 C ATOM 1446 O ILE A 96 25.509 1.721 0.656 1.00 0.00 O ATOM 1447 CB ILE A 96 25.337 4.800 0.920 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.816 6.176 1.385 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.837 4.811 0.670 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.270 6.450 1.069 1.00 0.00 C ATOM 0 H ILE A 96 27.658 3.663 1.223 1.00 0.00 H new ATOM 0 HA ILE A 96 25.320 4.038 2.938 1.00 0.00 H new ATOM 0 HB ILE A 96 25.840 4.559 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.200 6.943 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.665 6.260 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.597 5.574 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.523 3.835 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.315 5.031 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.539 7.443 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.896 5.705 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.424 6.399 -0.009 1.00 0.00 H new ATOM 1462 N THR A 97 23.963 2.057 2.256 1.00 0.00 N ATOM 1463 CA THR A 97 23.245 0.820 1.976 1.00 0.00 C ATOM 1464 C THR A 97 21.779 1.095 1.663 1.00 0.00 C ATOM 1465 O THR A 97 21.260 2.170 1.965 1.00 0.00 O ATOM 1466 CB THR A 97 23.331 -0.160 3.161 1.00 0.00 C ATOM 1467 OG1 THR A 97 22.912 0.491 4.366 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.749 -0.684 3.328 1.00 0.00 C ATOM 0 H THR A 97 23.565 2.613 3.012 1.00 0.00 H new ATOM 0 HA THR A 97 23.721 0.368 1.106 1.00 0.00 H new ATOM 0 HB THR A 97 22.671 -1.003 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.968 -0.139 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.785 -1.374 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.054 -1.204 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.426 0.150 3.513 1.00 0.00 H new ATOM 1476 N LEU A 98 21.115 0.117 1.056 1.00 0.00 N ATOM 1477 CA LEU A 98 19.707 0.253 0.702 1.00 0.00 C ATOM 1478 C LEU A 98 18.998 -1.096 0.761 1.00 0.00 C ATOM 1479 O LEU A 98 19.465 -2.081 0.188 1.00 0.00 O ATOM 1480 CB LEU A 98 19.568 0.855 -0.697 1.00 0.00 C ATOM 1481 CG LEU A 98 18.140 1.128 -1.172 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.650 2.469 -0.647 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.066 1.089 -2.691 1.00 0.00 C ATOM 0 H LEU A 98 21.530 -0.779 0.799 1.00 0.00 H new ATOM 0 HA LEU A 98 19.239 0.920 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.124 1.792 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.044 0.181 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 98 17.491 0.347 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.632 2.646 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.664 2.460 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.302 3.263 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.043 1.285 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.728 1.848 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.374 0.105 -3.045 1.00 0.00 H new ATOM 1495 N LYS A 99 17.865 -1.134 1.454 1.00 0.00 N ATOM 1496 CA LYS A 99 17.088 -2.361 1.585 1.00 0.00 C ATOM 1497 C LYS A 99 15.597 -2.079 1.438 1.00 0.00 C ATOM 1498 O LYS A 99 15.080 -1.112 1.997 1.00 0.00 O ATOM 1499 CB LYS A 99 17.362 -3.020 2.939 1.00 0.00 C ATOM 1500 CG LYS A 99 16.792 -2.250 4.117 1.00 0.00 C ATOM 1501 CD LYS A 99 16.918 -3.036 5.411 1.00 0.00 C ATOM 1502 CE LYS A 99 18.258 -2.785 6.088 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.291 -3.332 7.472 1.00 0.00 N ATOM 0 H LYS A 99 17.464 -0.328 1.934 1.00 0.00 H new ATOM 0 HA LYS A 99 17.392 -3.040 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.942 -4.026 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.439 -3.125 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.313 -1.298 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.743 -2.021 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.110 -2.758 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.808 -4.100 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.054 -3.240 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.456 -1.713 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.220 -3.141 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.548 -2.879 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.128 -4.359 7.443 1.00 0.00 H new ATOM 1517 N ALA A 100 14.910 -2.930 0.684 1.00 0.00 N ATOM 1518 CA ALA A 100 13.477 -2.774 0.466 1.00 0.00 C ATOM 1519 C ALA A 100 12.676 -3.528 1.522 1.00 0.00 C ATOM 1520 O ALA A 100 12.905 -4.714 1.760 1.00 0.00 O ATOM 1521 CB ALA A 100 13.099 -3.254 -0.927 1.00 0.00 C ATOM 0 H ALA A 100 15.323 -3.735 0.213 1.00 0.00 H new ATOM 0 HA ALA A 100 13.235 -1.715 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.026 -3.131 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.638 -2.669 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.362 -4.306 -1.033 1.00 0.00 H new ATOM 1527 N PHE A 101 11.736 -2.832 2.154 1.00 0.00 N ATOM 1528 CA PHE A 101 10.902 -3.436 3.187 1.00 0.00 C ATOM 1529 C PHE A 101 9.430 -3.102 2.962 1.00 0.00 C ATOM 1530 O PHE A 101 9.094 -2.010 2.504 1.00 0.00 O ATOM 1531 CB PHE A 101 11.340 -2.955 4.572 1.00 0.00 C ATOM 1532 CG PHE A 101 11.030 -1.508 4.829 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.938 -0.520 4.485 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.831 -1.137 5.416 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.655 0.812 4.722 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.543 0.194 5.655 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.456 1.169 5.307 1.00 0.00 C ATOM 0 H PHE A 101 11.533 -1.850 1.969 1.00 0.00 H new ATOM 0 HA PHE A 101 11.024 -4.518 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.849 -3.564 5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.413 -3.113 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.877 -0.793 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.113 -1.896 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.371 1.573 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.605 0.470 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.233 2.209 5.492 1.00 0.00 H new ATOM 1547 N ASN A 102 8.558 -4.050 3.286 1.00 0.00 N ATOM 1548 CA ASN A 102 7.122 -3.857 3.119 1.00 0.00 C ATOM 1549 C ASN A 102 6.350 -4.485 4.276 1.00 0.00 C ATOM 1550 O ASN A 102 6.942 -4.992 5.227 1.00 0.00 O ATOM 1551 CB ASN A 102 6.656 -4.462 1.793 1.00 0.00 C ATOM 1552 CG ASN A 102 6.656 -5.979 1.818 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.258 -6.596 2.697 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.980 -6.586 0.850 1.00 0.00 N ATOM 0 H ASN A 102 8.820 -4.960 3.666 1.00 0.00 H new ATOM 0 HA ASN A 102 6.923 -2.785 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.651 -4.105 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.306 -4.115 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.945 -7.605 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.496 -6.034 0.142 1.00 0.00 H new ATOM 1561 N ASN A 103 5.025 -4.446 4.186 1.00 0.00 N ATOM 1562 CA ASN A 103 4.171 -5.011 5.225 1.00 0.00 C ATOM 1563 C ASN A 103 4.547 -6.463 5.508 1.00 0.00 C ATOM 1564 O ASN A 103 4.418 -6.940 6.635 1.00 0.00 O ATOM 1565 CB ASN A 103 2.701 -4.924 4.810 1.00 0.00 C ATOM 1566 CG ASN A 103 2.330 -5.968 3.774 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.736 -5.881 2.615 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.554 -6.963 4.189 1.00 0.00 N ATOM 0 H ASN A 103 4.519 -4.029 3.405 1.00 0.00 H new ATOM 0 HA ASN A 103 4.318 -4.432 6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.070 -5.049 5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.497 -3.931 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.271 -7.695 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.241 -6.995 5.159 1.00 0.00 H new ATOM 1575 N VAL A 104 5.012 -7.160 4.476 1.00 0.00 N ATOM 1576 CA VAL A 104 5.408 -8.556 4.613 1.00 0.00 C ATOM 1577 C VAL A 104 6.682 -8.688 5.439 1.00 0.00 C ATOM 1578 O VAL A 104 6.779 -9.543 6.319 1.00 0.00 O ATOM 1579 CB VAL A 104 5.631 -9.214 3.238 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.078 -10.658 3.402 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.366 -9.131 2.396 1.00 0.00 C ATOM 0 H VAL A 104 5.124 -6.780 3.536 1.00 0.00 H new ATOM 0 HA VAL A 104 4.592 -9.067 5.124 1.00 0.00 H new ATOM 0 HB VAL A 104 6.422 -8.671 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.230 -11.106 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.012 -10.688 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.313 -11.217 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.542 -9.601 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.554 -9.647 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.095 -8.086 2.248 1.00 0.00 H new ATOM 1591 N GLY A 105 7.659 -7.833 5.151 1.00 0.00 N ATOM 1592 CA GLY A 105 8.915 -7.870 5.877 1.00 0.00 C ATOM 1593 C GLY A 105 10.015 -7.102 5.172 1.00 0.00 C ATOM 1594 O GLY A 105 9.759 -6.390 4.201 1.00 0.00 O ATOM 0 H GLY A 105 7.603 -7.116 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.767 -7.454 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.226 -8.907 6.007 1.00 0.00 H new ATOM 1598 N GLU A 106 11.243 -7.244 5.662 1.00 0.00 N ATOM 1599 CA GLU A 106 12.385 -6.554 5.073 1.00 0.00 C ATOM 1600 C GLU A 106 13.139 -7.472 4.116 1.00 0.00 C ATOM 1601 O GLU A 106 13.063 -8.695 4.221 1.00 0.00 O ATOM 1602 CB GLU A 106 13.328 -6.056 6.170 1.00 0.00 C ATOM 1603 CG GLU A 106 12.630 -5.260 7.259 1.00 0.00 C ATOM 1604 CD GLU A 106 11.754 -6.125 8.144 1.00 0.00 C ATOM 1605 OE1 GLU A 106 12.306 -6.861 8.988 1.00 0.00 O ATOM 1606 OE2 GLU A 106 10.516 -6.067 7.991 1.00 0.00 O ATOM 0 H GLU A 106 11.472 -7.830 6.465 1.00 0.00 H new ATOM 0 HA GLU A 106 12.011 -5.699 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.829 -6.912 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.102 -5.436 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.378 -4.759 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.020 -4.481 6.801 1.00 0.00 H new ATOM 1613 N GLY A 107 13.868 -6.870 3.180 1.00 0.00 N ATOM 1614 CA GLY A 107 14.626 -7.647 2.217 1.00 0.00 C ATOM 1615 C GLY A 107 16.115 -7.630 2.500 1.00 0.00 C ATOM 1616 O GLY A 107 16.533 -7.504 3.651 1.00 0.00 O ATOM 0 H GLY A 107 13.947 -5.859 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.270 -8.677 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.445 -7.255 1.216 1.00 0.00 H new ATOM 1620 N ILE A 108 16.917 -7.758 1.448 1.00 0.00 N ATOM 1621 CA ILE A 108 18.367 -7.757 1.590 1.00 0.00 C ATOM 1622 C ILE A 108 18.955 -6.401 1.214 1.00 0.00 C ATOM 1623 O ILE A 108 18.727 -5.878 0.123 1.00 0.00 O ATOM 1624 CB ILE A 108 19.019 -8.846 0.718 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.163 -9.118 -0.521 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.217 -10.121 1.523 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.012 -10.065 -0.263 1.00 0.00 C ATOM 0 H ILE A 108 16.587 -7.864 0.489 1.00 0.00 H new ATOM 0 HA ILE A 108 18.581 -7.966 2.638 1.00 0.00 H new ATOM 0 HB ILE A 108 19.996 -8.492 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.769 -8.173 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.795 -9.533 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.679 -10.881 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.863 -9.916 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.251 -10.481 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.448 -10.212 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.400 -11.023 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.357 -9.643 0.499 1.00 0.00 H new ATOM 1639 N PRO A 109 19.733 -5.816 2.138 1.00 0.00 N ATOM 1640 CA PRO A 109 20.372 -4.515 1.925 1.00 0.00 C ATOM 1641 C PRO A 109 21.486 -4.578 0.886 1.00 0.00 C ATOM 1642 O PRO A 109 21.999 -5.654 0.576 1.00 0.00 O ATOM 1643 CB PRO A 109 20.946 -4.172 3.303 1.00 0.00 C ATOM 1644 CG PRO A 109 21.148 -5.490 3.967 1.00 0.00 C ATOM 1645 CD PRO A 109 20.049 -6.382 3.460 1.00 0.00 C ATOM 0 HA PRO A 109 19.669 -3.774 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.884 -3.624 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.261 -3.543 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.128 -5.902 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.102 -5.392 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.376 -7.419 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.182 -6.367 4.121 1.00 0.00 H new ATOM 1653 N LEU A 110 21.856 -3.420 0.350 1.00 0.00 N ATOM 1654 CA LEU A 110 22.911 -3.344 -0.655 1.00 0.00 C ATOM 1655 C LEU A 110 24.158 -2.674 -0.086 1.00 0.00 C ATOM 1656 O LEU A 110 24.103 -2.018 0.954 1.00 0.00 O ATOM 1657 CB LEU A 110 22.418 -2.574 -1.882 1.00 0.00 C ATOM 1658 CG LEU A 110 21.474 -3.332 -2.815 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.764 -2.369 -3.753 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.237 -4.385 -3.606 1.00 0.00 C ATOM 0 H LEU A 110 21.441 -2.521 0.594 1.00 0.00 H new ATOM 0 HA LEU A 110 23.171 -4.360 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.911 -1.671 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.286 -2.254 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 110 20.722 -3.837 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.096 -2.927 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.185 -1.653 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.501 -1.836 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.549 -4.915 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.011 -3.902 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.698 -5.094 -2.918 1.00 0.00 H new ATOM 1672 N TYR A 111 25.280 -2.842 -0.777 1.00 0.00 N ATOM 1673 CA TYR A 111 26.541 -2.253 -0.342 1.00 0.00 C ATOM 1674 C TYR A 111 27.125 -1.352 -1.425 1.00 0.00 C ATOM 1675 O TYR A 111 27.332 -1.783 -2.559 1.00 0.00 O ATOM 1676 CB TYR A 111 27.542 -3.351 0.019 1.00 0.00 C ATOM 1677 CG TYR A 111 27.456 -3.800 1.460 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.308 -4.408 1.952 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.524 -3.617 2.330 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.225 -4.818 3.268 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.451 -4.026 3.648 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.299 -4.626 4.112 1.00 0.00 C ATOM 1683 OH TYR A 111 27.220 -5.035 5.424 1.00 0.00 O ATOM 0 H TYR A 111 25.342 -3.381 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 111 26.343 -1.646 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.376 -4.210 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.551 -2.991 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.466 -4.563 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.427 -3.147 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.324 -5.287 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.291 -3.877 4.311 1.00 0.00 H new ATOM 0 HH TYR A 111 28.061 -4.828 5.882 1.00 0.00 H new ATOM 1693 N GLU A 112 27.388 -0.100 -1.066 1.00 0.00 N ATOM 1694 CA GLU A 112 27.948 0.863 -2.008 1.00 0.00 C ATOM 1695 C GLU A 112 29.110 1.626 -1.379 1.00 0.00 C ATOM 1696 O GLU A 112 29.445 1.418 -0.213 1.00 0.00 O ATOM 1697 CB GLU A 112 26.869 1.844 -2.470 1.00 0.00 C ATOM 1698 CG GLU A 112 26.069 1.352 -3.664 1.00 0.00 C ATOM 1699 CD GLU A 112 26.950 0.950 -4.831 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.905 1.694 -5.137 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.685 -0.109 -5.438 1.00 0.00 O ATOM 0 H GLU A 112 27.223 0.272 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 112 28.322 0.313 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.187 2.038 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.339 2.794 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.460 0.499 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.383 2.136 -3.985 1.00 0.00 H new ATOM 1708 N SER A 113 29.722 2.510 -2.160 1.00 0.00 N ATOM 1709 CA SER A 113 30.849 3.302 -1.683 1.00 0.00 C ATOM 1710 C SER A 113 30.784 4.725 -2.228 1.00 0.00 C ATOM 1711 O SER A 113 30.465 4.939 -3.397 1.00 0.00 O ATOM 1712 CB SER A 113 32.170 2.647 -2.092 1.00 0.00 C ATOM 1713 OG SER A 113 32.471 2.913 -3.451 1.00 0.00 O ATOM 0 H SER A 113 29.456 2.696 -3.127 1.00 0.00 H new ATOM 0 HA SER A 113 30.795 3.346 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 113 32.975 3.018 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.110 1.570 -1.933 1.00 0.00 H new ATOM 0 HG SER A 113 33.320 2.485 -3.688 1.00 0.00 H new ATOM 1719 N ALA A 114 31.089 5.695 -1.372 1.00 0.00 N ATOM 1720 CA ALA A 114 31.067 7.098 -1.768 1.00 0.00 C ATOM 1721 C ALA A 114 32.098 7.904 -0.986 1.00 0.00 C ATOM 1722 O ALA A 114 31.957 8.110 0.219 1.00 0.00 O ATOM 1723 CB ALA A 114 29.676 7.681 -1.568 1.00 0.00 C ATOM 0 H ALA A 114 31.354 5.535 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 114 31.324 7.156 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.674 8.729 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 114 28.959 7.129 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.397 7.604 -0.517 1.00 0.00 H new ATOM 1729 N VAL A 115 33.137 8.359 -1.681 1.00 0.00 N ATOM 1730 CA VAL A 115 34.192 9.143 -1.051 1.00 0.00 C ATOM 1731 C VAL A 115 33.983 10.635 -1.287 1.00 0.00 C ATOM 1732 O VAL A 115 34.164 11.131 -2.400 1.00 0.00 O ATOM 1733 CB VAL A 115 35.582 8.741 -1.581 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.670 9.558 -0.900 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.817 7.252 -1.380 1.00 0.00 C ATOM 0 H VAL A 115 33.270 8.198 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 115 34.145 8.937 0.018 1.00 0.00 H new ATOM 0 HB VAL A 115 35.620 8.951 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.645 9.260 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.508 10.617 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.638 9.383 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.803 6.985 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.761 7.015 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.056 6.688 -1.918 1.00 0.00 H new ATOM 1745 N THR A 116 33.601 11.347 -0.232 1.00 0.00 N ATOM 1746 CA THR A 116 33.366 12.783 -0.323 1.00 0.00 C ATOM 1747 C THR A 116 34.620 13.517 -0.781 1.00 0.00 C ATOM 1748 O THR A 116 35.727 13.210 -0.338 1.00 0.00 O ATOM 1749 CB THR A 116 32.908 13.364 1.028 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.726 12.850 2.085 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.450 13.025 1.297 1.00 0.00 C ATOM 0 H THR A 116 33.448 10.953 0.696 1.00 0.00 H new ATOM 0 HA THR A 116 32.575 12.928 -1.059 1.00 0.00 H new ATOM 0 HB THR A 116 33.010 14.448 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.288 13.013 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.150 13.446 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.827 13.443 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.327 11.942 1.321 1.00 0.00 H new ATOM 1759 N ARG A 117 34.441 14.490 -1.669 1.00 0.00 N ATOM 1760 CA ARG A 117 35.559 15.268 -2.187 1.00 0.00 C ATOM 1761 C ARG A 117 36.225 16.071 -1.073 1.00 0.00 C ATOM 1762 O ARG A 117 35.588 16.474 -0.099 1.00 0.00 O ATOM 1763 CB ARG A 117 35.084 16.209 -3.295 1.00 0.00 C ATOM 1764 CG ARG A 117 34.686 15.491 -4.574 1.00 0.00 C ATOM 1765 CD ARG A 117 34.741 16.422 -5.776 1.00 0.00 C ATOM 1766 NE ARG A 117 36.112 16.795 -6.116 1.00 0.00 N ATOM 1767 CZ ARG A 117 36.426 17.876 -6.821 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.472 18.688 -7.257 1.00 0.00 N ATOM 1769 NH2 ARG A 117 37.696 18.148 -7.090 1.00 0.00 N ATOM 0 H ARG A 117 33.531 14.758 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 117 36.292 14.574 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.233 16.784 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.878 16.922 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.351 14.643 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.678 15.090 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 117 34.274 15.936 -6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.162 17.321 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 117 36.869 16.192 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 117 34.494 18.483 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.716 19.517 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 117 38.433 17.527 -6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 117 37.936 18.978 -7.631 1.00 0.00 H new ATOM 1783 N PRO A 118 37.537 16.310 -1.218 1.00 0.00 N ATOM 1784 CA PRO A 118 38.317 17.066 -0.234 1.00 0.00 C ATOM 1785 C PRO A 118 37.950 18.546 -0.217 1.00 0.00 C ATOM 1786 O PRO A 118 38.236 19.278 -1.166 1.00 0.00 O ATOM 1787 CB PRO A 118 39.761 16.879 -0.706 1.00 0.00 C ATOM 1788 CG PRO A 118 39.649 16.609 -2.167 1.00 0.00 C ATOM 1789 CD PRO A 118 38.359 15.859 -2.353 1.00 0.00 C ATOM 0 HA PRO A 118 38.138 16.717 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.359 17.769 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.244 16.051 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.645 17.539 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.496 16.022 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.890 16.096 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.515 14.780 -2.333 1.00 0.00 H new