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 92 SER OG : rot -75:sc= -1.1 USER MOD Set 1.2: A 116 THR OG1 : rot -162:sc= -0.756 USER MOD Set 2.1: A 64 TYR OH : rot 170:sc= 0.457 USER MOD Set 2.2: A 72 GLN : amide:sc= -3.71! K(o=-3.3!,f=-4.4) USER MOD Set 3.1: A 52 ASN : amide:sc= -3.59! C(o=-12!,f=-13!) USER MOD Set 3.2: A 54 ASN : amide:sc= -7.96! C(o=-12!,f=-13!) USER MOD Set 4.1: A 32 SER OG : rot -99:sc= 1.21 USER MOD Set 4.2: A 48 THR OG1 : rot 107:sc= 1.01 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -2.93! C(o=-5.7!,f=-2.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.123 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0847 USER MOD Single : A 68 SER OG : rot 25:sc= 0.149 USER MOD Single : A 70 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.018) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.1!) 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= -1.33 X(o=-1.3,f=-0.87) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.214 F(o=-0.95,f=-0.21) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 160:sc= -0.665 USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -0.213 (180deg=-1) USER MOD Single : A 102 ASN : amide:sc= -0.535 K(o=-0.53,f=-13!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.285 -8.754 -4.022 1.00 0.00 N ATOM 287 CA ASP A 23 1.913 -9.704 -3.111 1.00 0.00 C ATOM 288 C ASP A 23 2.659 -8.976 -1.997 1.00 0.00 C ATOM 289 O ASP A 23 3.830 -8.628 -2.147 1.00 0.00 O ATOM 290 CB ASP A 23 2.875 -10.616 -3.875 1.00 0.00 C ATOM 291 CG ASP A 23 2.990 -11.991 -3.248 1.00 0.00 C ATOM 292 OD1 ASP A 23 2.893 -12.087 -2.007 1.00 0.00 O ATOM 293 OD2 ASP A 23 3.177 -12.972 -3.998 1.00 0.00 O ATOM 0 HA ASP A 23 1.128 -10.312 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.534 -10.717 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.861 -10.152 -3.909 1.00 0.00 H new ATOM 298 N GLU A 24 1.973 -8.749 -0.882 1.00 0.00 N ATOM 299 CA GLU A 24 2.571 -8.061 0.256 1.00 0.00 C ATOM 300 C GLU A 24 3.144 -9.061 1.256 1.00 0.00 C ATOM 301 O GLU A 24 4.230 -8.859 1.802 1.00 0.00 O ATOM 302 CB GLU A 24 1.534 -7.171 0.945 1.00 0.00 C ATOM 303 CG GLU A 24 2.105 -6.339 2.081 1.00 0.00 C ATOM 304 CD GLU A 24 1.042 -5.541 2.810 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.070 -6.074 3.007 1.00 0.00 O ATOM 306 OE2 GLU A 24 1.323 -4.383 3.184 1.00 0.00 O ATOM 0 H GLU A 24 1.003 -9.031 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 24 3.384 -7.438 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.090 -6.505 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.730 -7.797 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.611 -6.996 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.858 -5.658 1.685 1.00 0.00 H new ATOM 313 N THR A 25 2.406 -10.141 1.494 1.00 0.00 N ATOM 314 CA THR A 25 2.838 -11.172 2.429 1.00 0.00 C ATOM 315 C THR A 25 4.344 -11.394 2.345 1.00 0.00 C ATOM 316 O THR A 25 4.981 -11.772 3.328 1.00 0.00 O ATOM 317 CB THR A 25 2.118 -12.507 2.166 1.00 0.00 C ATOM 318 OG1 THR A 25 2.316 -12.911 0.806 1.00 0.00 O ATOM 319 CG2 THR A 25 0.629 -12.384 2.452 1.00 0.00 C ATOM 0 H THR A 25 1.505 -10.324 1.051 1.00 0.00 H new ATOM 0 HA THR A 25 2.580 -10.820 3.428 1.00 0.00 H new ATOM 0 HB THR A 25 2.539 -13.259 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.856 -13.762 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.141 -13.340 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.481 -12.105 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.197 -11.619 1.807 1.00 0.00 H new ATOM 327 N ARG A 26 4.907 -11.156 1.164 1.00 0.00 N ATOM 328 CA ARG A 26 6.339 -11.332 0.952 1.00 0.00 C ATOM 329 C ARG A 26 7.054 -9.984 0.930 1.00 0.00 C ATOM 330 O ARG A 26 6.524 -8.996 0.420 1.00 0.00 O ATOM 331 CB ARG A 26 6.594 -12.078 -0.359 1.00 0.00 C ATOM 332 CG ARG A 26 5.987 -11.398 -1.575 1.00 0.00 C ATOM 333 CD ARG A 26 6.360 -12.120 -2.861 1.00 0.00 C ATOM 334 NE ARG A 26 5.693 -13.413 -2.976 1.00 0.00 N ATOM 335 CZ ARG A 26 6.168 -14.535 -2.446 1.00 0.00 C ATOM 336 NH1 ARG A 26 7.308 -14.522 -1.769 1.00 0.00 N ATOM 337 NH2 ARG A 26 5.503 -15.674 -2.594 1.00 0.00 N ATOM 0 H ARG A 26 4.394 -10.841 0.341 1.00 0.00 H new ATOM 0 HA ARG A 26 6.734 -11.921 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.669 -12.177 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.189 -13.087 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.902 -11.370 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.330 -10.364 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.095 -11.498 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.440 -12.265 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 26 4.814 -13.458 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.823 -13.649 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.670 -15.385 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.626 -15.689 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.869 -16.535 -2.187 1.00 0.00 H new ATOM 351 N VAL A 27 8.261 -9.951 1.486 1.00 0.00 N ATOM 352 CA VAL A 27 9.050 -8.726 1.530 1.00 0.00 C ATOM 353 C VAL A 27 9.790 -8.501 0.216 1.00 0.00 C ATOM 354 O VAL A 27 10.204 -9.443 -0.460 1.00 0.00 O ATOM 355 CB VAL A 27 10.070 -8.755 2.683 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.366 -8.971 4.014 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.114 -9.835 2.442 1.00 0.00 C ATOM 0 H VAL A 27 8.714 -10.759 1.912 1.00 0.00 H new ATOM 0 HA VAL A 27 8.351 -7.906 1.695 1.00 0.00 H new ATOM 0 HB VAL A 27 10.578 -7.791 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.103 -8.989 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.659 -8.159 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.830 -9.920 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.827 -9.842 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.624 -10.807 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.640 -9.631 1.509 1.00 0.00 H new ATOM 367 N PRO A 28 9.962 -7.224 -0.155 1.00 0.00 N ATOM 368 CA PRO A 28 10.655 -6.846 -1.391 1.00 0.00 C ATOM 369 C PRO A 28 12.152 -7.132 -1.327 1.00 0.00 C ATOM 370 O PRO A 28 12.910 -6.383 -0.712 1.00 0.00 O ATOM 371 CB PRO A 28 10.402 -5.339 -1.492 1.00 0.00 C ATOM 372 CG PRO A 28 10.172 -4.899 -0.088 1.00 0.00 C ATOM 373 CD PRO A 28 9.495 -6.051 0.602 1.00 0.00 C ATOM 0 HA PRO A 28 10.294 -7.411 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.254 -4.823 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.538 -5.124 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.113 -4.650 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.549 -4.005 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.778 -6.112 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.410 -5.957 0.569 1.00 0.00 H new ATOM 381 N GLU A 29 12.569 -8.219 -1.967 1.00 0.00 N ATOM 382 CA GLU A 29 13.976 -8.603 -1.982 1.00 0.00 C ATOM 383 C GLU A 29 14.853 -7.438 -2.432 1.00 0.00 C ATOM 384 O GLU A 29 14.361 -6.339 -2.688 1.00 0.00 O ATOM 385 CB GLU A 29 14.190 -9.804 -2.906 1.00 0.00 C ATOM 386 CG GLU A 29 13.029 -10.783 -2.910 1.00 0.00 C ATOM 387 CD GLU A 29 13.392 -12.116 -3.536 1.00 0.00 C ATOM 388 OE1 GLU A 29 13.984 -12.113 -4.635 1.00 0.00 O ATOM 389 OE2 GLU A 29 13.083 -13.161 -2.926 1.00 0.00 O ATOM 0 H GLU A 29 11.954 -8.849 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 29 14.262 -8.879 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.355 -9.445 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.096 -10.329 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.693 -10.946 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.192 -10.346 -3.455 1.00 0.00 H new ATOM 396 N VAL A 30 16.155 -7.687 -2.527 1.00 0.00 N ATOM 397 CA VAL A 30 17.102 -6.661 -2.946 1.00 0.00 C ATOM 398 C VAL A 30 16.621 -5.953 -4.208 1.00 0.00 C ATOM 399 O VAL A 30 16.112 -6.573 -5.142 1.00 0.00 O ATOM 400 CB VAL A 30 18.498 -7.257 -3.205 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.411 -8.413 -4.189 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.449 -6.184 -3.714 1.00 0.00 C ATOM 0 H VAL A 30 16.578 -8.591 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 30 17.169 -5.940 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 30 18.890 -7.641 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.407 -8.821 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.765 -9.190 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.998 -8.057 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.431 -6.623 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.064 -5.768 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.535 -5.392 -2.971 1.00 0.00 H new ATOM 412 N PRO A 31 16.786 -4.622 -4.239 1.00 0.00 N ATOM 413 CA PRO A 31 16.376 -3.801 -5.382 1.00 0.00 C ATOM 414 C PRO A 31 17.251 -4.036 -6.609 1.00 0.00 C ATOM 415 O PRO A 31 18.250 -4.752 -6.542 1.00 0.00 O ATOM 416 CB PRO A 31 16.548 -2.369 -4.869 1.00 0.00 C ATOM 417 CG PRO A 31 17.582 -2.471 -3.801 1.00 0.00 C ATOM 418 CD PRO A 31 17.385 -3.817 -3.162 1.00 0.00 C ATOM 0 HA PRO A 31 15.362 -4.033 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.868 -1.698 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.611 -1.974 -4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.585 -2.380 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.468 -1.671 -3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.329 -4.242 -2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.730 -3.757 -2.293 1.00 0.00 H new ATOM 426 N SER A 32 16.870 -3.428 -7.727 1.00 0.00 N ATOM 427 CA SER A 32 17.618 -3.575 -8.970 1.00 0.00 C ATOM 428 C SER A 32 19.068 -3.139 -8.786 1.00 0.00 C ATOM 429 O SER A 32 19.992 -3.796 -9.266 1.00 0.00 O ATOM 430 CB SER A 32 16.965 -2.753 -10.084 1.00 0.00 C ATOM 431 OG SER A 32 16.787 -1.405 -9.686 1.00 0.00 O ATOM 0 H SER A 32 16.048 -2.829 -7.798 1.00 0.00 H new ATOM 0 HA SER A 32 17.605 -4.628 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.585 -2.792 -10.980 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.000 -3.189 -10.344 1.00 0.00 H new ATOM 0 HG SER A 32 15.861 -1.269 -9.395 1.00 0.00 H new ATOM 437 N SER A 33 19.261 -2.025 -8.085 1.00 0.00 N ATOM 438 CA SER A 33 20.598 -1.498 -7.839 1.00 0.00 C ATOM 439 C SER A 33 20.544 -0.300 -6.896 1.00 0.00 C ATOM 440 O SER A 33 19.480 0.060 -6.391 1.00 0.00 O ATOM 441 CB SER A 33 21.260 -1.095 -9.158 1.00 0.00 C ATOM 442 OG SER A 33 20.803 0.175 -9.591 1.00 0.00 O ATOM 0 H SER A 33 18.508 -1.471 -7.678 1.00 0.00 H new ATOM 0 HA SER A 33 21.191 -2.282 -7.368 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.343 -1.072 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.043 -1.843 -9.921 1.00 0.00 H new ATOM 0 HG SER A 33 21.242 0.410 -10.435 1.00 0.00 H new ATOM 448 N LEU A 34 21.699 0.313 -6.663 1.00 0.00 N ATOM 449 CA LEU A 34 21.786 1.471 -5.781 1.00 0.00 C ATOM 450 C LEU A 34 22.972 2.354 -6.156 1.00 0.00 C ATOM 451 O LEU A 34 24.114 1.895 -6.194 1.00 0.00 O ATOM 452 CB LEU A 34 21.913 1.019 -4.325 1.00 0.00 C ATOM 453 CG LEU A 34 22.636 1.984 -3.383 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.749 3.175 -3.056 1.00 0.00 C ATOM 455 CD2 LEU A 34 23.061 1.267 -2.110 1.00 0.00 C ATOM 0 H LEU A 34 22.588 0.027 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 34 20.872 2.054 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.912 0.841 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.437 0.064 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 34 23.531 2.351 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.280 3.851 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.495 3.702 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.836 2.827 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.574 1.968 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.180 0.871 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.734 0.447 -2.362 1.00 0.00 H new ATOM 467 N HIS A 35 22.694 3.624 -6.431 1.00 0.00 N ATOM 468 CA HIS A 35 23.739 4.573 -6.801 1.00 0.00 C ATOM 469 C HIS A 35 24.008 5.554 -5.665 1.00 0.00 C ATOM 470 O HIS A 35 23.143 5.799 -4.824 1.00 0.00 O ATOM 471 CB HIS A 35 23.340 5.336 -8.065 1.00 0.00 C ATOM 472 CG HIS A 35 23.921 6.714 -8.141 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.758 7.789 -7.334 1.00 0.00 N flip ATOM 474 CD2 HIS A 35 24.781 7.114 -9.141 1.00 0.00 C flip ATOM 475 CE1 HIS A 35 24.517 8.808 -7.856 1.00 0.00 C flip ATOM 476 NE2 HIS A 35 25.125 8.375 -8.946 1.00 0.00 N flip ATOM 0 H HIS A 35 21.754 4.020 -6.405 1.00 0.00 H new ATOM 0 HA HIS A 35 24.653 4.012 -6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.659 4.767 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.253 5.406 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 35 25.121 6.493 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.603 9.802 -7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 35 25.753 8.921 -9.536 1.00 0.00 H new ATOM 485 N VAL A 36 25.214 6.113 -5.645 1.00 0.00 N ATOM 486 CA VAL A 36 25.598 7.067 -4.612 1.00 0.00 C ATOM 487 C VAL A 36 26.648 8.045 -5.129 1.00 0.00 C ATOM 488 O VAL A 36 27.700 7.638 -5.623 1.00 0.00 O ATOM 489 CB VAL A 36 26.149 6.352 -3.364 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.011 5.832 -2.500 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.083 5.222 -3.767 1.00 0.00 C ATOM 0 H VAL A 36 25.942 5.921 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 36 24.697 7.617 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 36 26.719 7.072 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.420 5.330 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.385 6.666 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.411 5.127 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.463 4.728 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.539 4.501 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.917 5.626 -4.340 1.00 0.00 H new ATOM 501 N ARG A 37 26.355 9.336 -5.013 1.00 0.00 N ATOM 502 CA ARG A 37 27.273 10.372 -5.470 1.00 0.00 C ATOM 503 C ARG A 37 27.890 11.111 -4.286 1.00 0.00 C ATOM 504 O ARG A 37 27.240 11.914 -3.617 1.00 0.00 O ATOM 505 CB ARG A 37 26.545 11.362 -6.380 1.00 0.00 C ATOM 506 CG ARG A 37 26.764 11.101 -7.862 1.00 0.00 C ATOM 507 CD ARG A 37 27.938 11.903 -8.402 1.00 0.00 C ATOM 508 NE ARG A 37 28.244 11.559 -9.788 1.00 0.00 N ATOM 509 CZ ARG A 37 29.372 11.904 -10.399 1.00 0.00 C ATOM 510 NH1 ARG A 37 30.296 12.598 -9.749 1.00 0.00 N ATOM 511 NH2 ARG A 37 29.578 11.554 -11.662 1.00 0.00 N ATOM 0 H ARG A 37 25.489 9.689 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 37 28.073 9.892 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.477 11.321 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.879 12.372 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 37 26.944 10.038 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 37 25.861 11.359 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.712 12.967 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 37 28.816 11.723 -7.781 1.00 0.00 H new ATOM 0 HE ARG A 37 27.554 11.025 -10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 37 30.142 12.868 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 37 31.161 12.862 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.870 11.019 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 37 30.445 11.820 -12.130 1.00 0.00 H new ATOM 525 N PRO A 38 29.176 10.835 -4.021 1.00 0.00 N ATOM 526 CA PRO A 38 29.909 11.463 -2.918 1.00 0.00 C ATOM 527 C PRO A 38 30.178 12.943 -3.169 1.00 0.00 C ATOM 528 O PRO A 38 30.857 13.307 -4.129 1.00 0.00 O ATOM 529 CB PRO A 38 31.224 10.681 -2.876 1.00 0.00 C ATOM 530 CG PRO A 38 31.398 10.156 -4.259 1.00 0.00 C ATOM 531 CD PRO A 38 30.012 9.888 -4.777 1.00 0.00 C ATOM 0 HA PRO A 38 29.347 11.430 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.057 11.323 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.180 9.871 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.917 10.879 -4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.997 9.246 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.944 10.061 -5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.710 8.856 -4.601 1.00 0.00 H new ATOM 539 N LEU A 39 29.641 13.792 -2.300 1.00 0.00 N ATOM 540 CA LEU A 39 29.823 15.234 -2.427 1.00 0.00 C ATOM 541 C LEU A 39 30.590 15.793 -1.234 1.00 0.00 C ATOM 542 O LEU A 39 30.573 15.217 -0.146 1.00 0.00 O ATOM 543 CB LEU A 39 28.466 15.931 -2.547 1.00 0.00 C ATOM 544 CG LEU A 39 27.868 15.998 -3.953 1.00 0.00 C ATOM 545 CD1 LEU A 39 27.217 14.673 -4.320 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.862 17.135 -4.051 1.00 0.00 C ATOM 0 H LEU A 39 29.076 13.507 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 39 30.403 15.424 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.758 15.418 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.568 16.948 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 39 28.674 16.191 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.797 14.740 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.964 13.880 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.422 14.449 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.447 17.168 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.059 16.973 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.359 18.080 -3.833 1.00 0.00 H new ATOM 558 N VAL A 40 31.261 16.921 -1.444 1.00 0.00 N ATOM 559 CA VAL A 40 32.033 17.561 -0.385 1.00 0.00 C ATOM 560 C VAL A 40 31.418 17.288 0.984 1.00 0.00 C ATOM 561 O VAL A 40 31.944 16.495 1.767 1.00 0.00 O ATOM 562 CB VAL A 40 32.125 19.083 -0.599 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.921 19.733 0.523 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.746 19.393 -1.953 1.00 0.00 C ATOM 0 H VAL A 40 31.286 17.411 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 40 33.036 17.135 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 40 31.117 19.497 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.975 20.809 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.430 19.539 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.928 19.317 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.804 20.473 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.748 18.968 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 40 32.131 18.961 -2.743 1.00 0.00 H new ATOM 574 N THR A 41 30.300 17.949 1.267 1.00 0.00 N ATOM 575 CA THR A 41 29.614 17.778 2.542 1.00 0.00 C ATOM 576 C THR A 41 28.225 17.182 2.343 1.00 0.00 C ATOM 577 O THR A 41 27.333 17.373 3.169 1.00 0.00 O ATOM 578 CB THR A 41 29.483 19.117 3.293 1.00 0.00 C ATOM 579 OG1 THR A 41 29.069 20.147 2.388 1.00 0.00 O ATOM 580 CG2 THR A 41 30.803 19.505 3.941 1.00 0.00 C ATOM 0 H THR A 41 29.850 18.607 0.631 1.00 0.00 H new ATOM 0 HA THR A 41 30.218 17.093 3.137 1.00 0.00 H new ATOM 0 HB THR A 41 28.734 18.998 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.986 20.995 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.686 20.453 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.101 18.733 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.569 19.607 3.173 1.00 0.00 H new ATOM 588 N SER A 42 28.049 16.458 1.242 1.00 0.00 N ATOM 589 CA SER A 42 26.767 15.836 0.933 1.00 0.00 C ATOM 590 C SER A 42 26.967 14.527 0.175 1.00 0.00 C ATOM 591 O SER A 42 28.094 14.148 -0.145 1.00 0.00 O ATOM 592 CB SER A 42 25.899 16.789 0.108 1.00 0.00 C ATOM 593 OG SER A 42 26.173 18.140 0.435 1.00 0.00 O ATOM 0 H SER A 42 28.778 16.288 0.549 1.00 0.00 H new ATOM 0 HA SER A 42 26.261 15.618 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.081 16.624 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.846 16.574 0.288 1.00 0.00 H new ATOM 0 HG SER A 42 25.607 18.729 -0.106 1.00 0.00 H new ATOM 599 N ILE A 43 25.865 13.841 -0.109 1.00 0.00 N ATOM 600 CA ILE A 43 25.918 12.575 -0.830 1.00 0.00 C ATOM 601 C ILE A 43 24.567 12.240 -1.452 1.00 0.00 C ATOM 602 O ILE A 43 23.635 11.835 -0.757 1.00 0.00 O ATOM 603 CB ILE A 43 26.347 11.420 0.093 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.744 11.682 0.659 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.314 10.099 -0.662 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.328 10.499 1.400 1.00 0.00 C ATOM 0 H ILE A 43 24.925 14.141 0.149 1.00 0.00 H new ATOM 0 HA ILE A 43 26.660 12.692 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 43 25.645 11.359 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.413 11.955 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.699 12.537 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.620 9.292 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.302 9.910 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 43 26.996 10.148 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.319 10.757 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.681 10.239 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.405 9.648 0.723 1.00 0.00 H new ATOM 618 N VAL A 44 24.468 12.409 -2.766 1.00 0.00 N ATOM 619 CA VAL A 44 23.232 12.122 -3.484 1.00 0.00 C ATOM 620 C VAL A 44 23.002 10.619 -3.601 1.00 0.00 C ATOM 621 O VAL A 44 23.505 9.973 -4.521 1.00 0.00 O ATOM 622 CB VAL A 44 23.244 12.740 -4.894 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.824 12.940 -5.402 1.00 0.00 C ATOM 624 CG2 VAL A 44 24.009 14.055 -4.892 1.00 0.00 C ATOM 0 H VAL A 44 25.230 12.744 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 44 22.421 12.568 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 44 23.752 12.052 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.853 13.378 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.313 11.978 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.287 13.608 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 44 24.008 14.478 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 44 23.532 14.753 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.037 13.878 -4.574 1.00 0.00 H new ATOM 634 N VAL A 45 22.237 10.068 -2.664 1.00 0.00 N ATOM 635 CA VAL A 45 21.938 8.641 -2.663 1.00 0.00 C ATOM 636 C VAL A 45 20.715 8.335 -3.520 1.00 0.00 C ATOM 637 O VAL A 45 19.578 8.514 -3.084 1.00 0.00 O ATOM 638 CB VAL A 45 21.694 8.119 -1.235 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.196 6.682 -1.268 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.962 8.234 -0.403 1.00 0.00 C ATOM 0 H VAL A 45 21.813 10.588 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 45 22.808 8.136 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 45 20.924 8.733 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.029 6.331 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.261 6.634 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.940 6.050 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.772 7.861 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.755 7.645 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.269 9.278 -0.351 1.00 0.00 H new ATOM 650 N SER A 46 20.956 7.871 -4.742 1.00 0.00 N ATOM 651 CA SER A 46 19.873 7.543 -5.663 1.00 0.00 C ATOM 652 C SER A 46 19.720 6.032 -5.804 1.00 0.00 C ATOM 653 O SER A 46 20.707 5.304 -5.910 1.00 0.00 O ATOM 654 CB SER A 46 20.133 8.171 -7.033 1.00 0.00 C ATOM 655 OG SER A 46 19.326 7.570 -8.031 1.00 0.00 O ATOM 0 H SER A 46 21.891 7.714 -5.118 1.00 0.00 H new ATOM 0 HA SER A 46 18.947 7.948 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.928 9.241 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.185 8.058 -7.295 1.00 0.00 H new ATOM 0 HG SER A 46 19.510 7.990 -8.897 1.00 0.00 H new ATOM 661 N TRP A 47 18.475 5.568 -5.805 1.00 0.00 N ATOM 662 CA TRP A 47 18.191 4.143 -5.933 1.00 0.00 C ATOM 663 C TRP A 47 17.092 3.897 -6.960 1.00 0.00 C ATOM 664 O TRP A 47 16.620 4.828 -7.616 1.00 0.00 O ATOM 665 CB TRP A 47 17.782 3.560 -4.580 1.00 0.00 C ATOM 666 CG TRP A 47 16.565 4.212 -3.996 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.266 3.832 -4.175 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.536 5.359 -3.140 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.430 4.674 -3.482 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.184 5.619 -2.838 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.518 6.191 -2.597 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.794 6.675 -2.019 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.130 7.239 -1.785 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.778 7.474 -1.502 1.00 0.00 C ATOM 0 H TRP A 47 17.647 6.157 -5.719 1.00 0.00 H new ATOM 0 HA TRP A 47 19.099 3.646 -6.275 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.594 2.492 -4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.612 3.665 -3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 47 14.943 2.993 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.413 4.606 -3.452 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.563 6.018 -2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.752 6.857 -1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.882 7.888 -1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.507 8.302 -0.863 1.00 0.00 H new ATOM 685 N THR A 48 16.685 2.639 -7.097 1.00 0.00 N ATOM 686 CA THR A 48 15.641 2.271 -8.045 1.00 0.00 C ATOM 687 C THR A 48 14.775 1.143 -7.498 1.00 0.00 C ATOM 688 O THR A 48 15.174 0.399 -6.602 1.00 0.00 O ATOM 689 CB THR A 48 16.238 1.836 -9.397 1.00 0.00 C ATOM 690 OG1 THR A 48 17.527 1.245 -9.196 1.00 0.00 O ATOM 691 CG2 THR A 48 16.361 3.023 -10.341 1.00 0.00 C ATOM 0 H THR A 48 17.063 1.857 -6.563 1.00 0.00 H new ATOM 0 HA THR A 48 15.025 3.157 -8.197 1.00 0.00 H new ATOM 0 HB THR A 48 15.568 1.102 -9.846 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.467 0.276 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.785 2.692 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.375 3.453 -10.515 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.012 3.776 -9.896 1.00 0.00 H new ATOM 699 N PRO A 49 13.559 1.010 -8.049 1.00 0.00 N ATOM 700 CA PRO A 49 12.610 -0.027 -7.632 1.00 0.00 C ATOM 701 C PRO A 49 13.059 -1.424 -8.048 1.00 0.00 C ATOM 702 O PRO A 49 13.851 -1.598 -8.975 1.00 0.00 O ATOM 703 CB PRO A 49 11.320 0.358 -8.360 1.00 0.00 C ATOM 704 CG PRO A 49 11.774 1.131 -9.550 1.00 0.00 C ATOM 705 CD PRO A 49 13.017 1.861 -9.121 1.00 0.00 C ATOM 0 HA PRO A 49 12.506 -0.072 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.753 -0.525 -8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.669 0.957 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.981 0.468 -10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.005 1.830 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.724 1.970 -9.944 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.790 2.865 -8.761 1.00 0.00 H new ATOM 713 N PRO A 50 12.543 -2.445 -7.347 1.00 0.00 N ATOM 714 CA PRO A 50 12.877 -3.845 -7.627 1.00 0.00 C ATOM 715 C PRO A 50 12.291 -4.328 -8.949 1.00 0.00 C ATOM 716 O PRO A 50 11.135 -4.048 -9.264 1.00 0.00 O ATOM 717 CB PRO A 50 12.246 -4.601 -6.454 1.00 0.00 C ATOM 718 CG PRO A 50 11.133 -3.723 -5.993 1.00 0.00 C ATOM 719 CD PRO A 50 11.594 -2.312 -6.229 1.00 0.00 C ATOM 0 HA PRO A 50 13.952 -3.997 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.877 -5.578 -6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.970 -4.773 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.217 -3.932 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.915 -3.891 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.762 -1.655 -6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.072 -1.892 -5.344 1.00 0.00 H new ATOM 727 N GLU A 51 13.096 -5.054 -9.718 1.00 0.00 N ATOM 728 CA GLU A 51 12.656 -5.575 -11.007 1.00 0.00 C ATOM 729 C GLU A 51 11.231 -6.114 -10.918 1.00 0.00 C ATOM 730 O GLU A 51 10.404 -5.861 -11.793 1.00 0.00 O ATOM 731 CB GLU A 51 13.601 -6.679 -11.486 1.00 0.00 C ATOM 732 CG GLU A 51 14.807 -6.158 -12.250 1.00 0.00 C ATOM 733 CD GLU A 51 14.418 -5.292 -13.432 1.00 0.00 C ATOM 734 OE1 GLU A 51 13.282 -5.438 -13.928 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.252 -4.466 -13.861 1.00 0.00 O ATOM 0 H GLU A 51 14.056 -5.295 -9.471 1.00 0.00 H new ATOM 0 HA GLU A 51 12.672 -4.756 -11.726 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.946 -7.250 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.047 -7.368 -12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.439 -5.582 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.402 -7.001 -12.602 1.00 0.00 H new ATOM 742 N ASN A 52 10.952 -6.860 -9.853 1.00 0.00 N ATOM 743 CA ASN A 52 9.628 -7.436 -9.649 1.00 0.00 C ATOM 744 C ASN A 52 8.626 -6.363 -9.232 1.00 0.00 C ATOM 745 O ASN A 52 8.678 -5.855 -8.112 1.00 0.00 O ATOM 746 CB ASN A 52 9.685 -8.536 -8.588 1.00 0.00 C ATOM 747 CG ASN A 52 8.645 -9.616 -8.817 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.729 -9.449 -9.623 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.782 -10.729 -8.107 1.00 0.00 N ATOM 0 H ASN A 52 11.625 -7.079 -9.119 1.00 0.00 H new ATOM 0 HA ASN A 52 9.298 -7.869 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.678 -8.986 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.535 -8.095 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.112 -11.490 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.557 -10.823 -7.451 1.00 0.00 H new ATOM 756 N GLN A 53 7.716 -6.026 -10.139 1.00 0.00 N ATOM 757 CA GLN A 53 6.703 -5.014 -9.865 1.00 0.00 C ATOM 758 C GLN A 53 5.404 -5.658 -9.390 1.00 0.00 C ATOM 759 O GLN A 53 4.314 -5.212 -9.743 1.00 0.00 O ATOM 760 CB GLN A 53 6.441 -4.172 -11.115 1.00 0.00 C ATOM 761 CG GLN A 53 7.364 -2.971 -11.244 1.00 0.00 C ATOM 762 CD GLN A 53 7.114 -1.925 -10.175 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.096 -1.234 -10.192 1.00 0.00 O ATOM 764 NE2 GLN A 53 8.045 -1.804 -9.235 1.00 0.00 N ATOM 0 H GLN A 53 7.659 -6.439 -11.070 1.00 0.00 H new ATOM 0 HA GLN A 53 7.078 -4.367 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.553 -4.802 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.408 -3.826 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.400 -3.306 -11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.231 -2.519 -12.227 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.874 -2.398 -9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.931 -1.118 -8.489 1.00 0.00 H new ATOM 773 N ASN A 54 5.530 -6.711 -8.589 1.00 0.00 N ATOM 774 CA ASN A 54 4.366 -7.418 -8.067 1.00 0.00 C ATOM 775 C ASN A 54 4.295 -7.300 -6.547 1.00 0.00 C ATOM 776 O ASN A 54 3.219 -7.400 -5.957 1.00 0.00 O ATOM 777 CB ASN A 54 4.414 -8.892 -8.474 1.00 0.00 C ATOM 778 CG ASN A 54 5.218 -9.734 -7.502 1.00 0.00 C ATOM 779 OD1 ASN A 54 6.287 -10.243 -7.842 1.00 0.00 O ATOM 780 ND2 ASN A 54 4.707 -9.886 -6.286 1.00 0.00 N ATOM 0 H ASN A 54 6.426 -7.093 -8.287 1.00 0.00 H new ATOM 0 HA ASN A 54 3.473 -6.960 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.398 -9.283 -8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.849 -8.977 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.203 -10.443 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.818 -9.446 -6.048 1.00 0.00 H new ATOM 787 N ILE A 55 5.448 -7.087 -5.921 1.00 0.00 N ATOM 788 CA ILE A 55 5.516 -6.954 -4.471 1.00 0.00 C ATOM 789 C ILE A 55 5.190 -5.530 -4.034 1.00 0.00 C ATOM 790 O ILE A 55 5.499 -4.567 -4.737 1.00 0.00 O ATOM 791 CB ILE A 55 6.907 -7.338 -3.935 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.433 -8.578 -4.662 1.00 0.00 C ATOM 793 CG2 ILE A 55 6.848 -7.583 -2.435 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.908 -8.830 -4.437 1.00 0.00 C ATOM 0 H ILE A 55 6.347 -7.003 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 55 4.775 -7.637 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 55 7.593 -6.511 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.869 -9.450 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.250 -8.467 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.839 -7.854 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.511 -6.677 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.151 -8.394 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.212 -9.724 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.482 -7.975 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.094 -8.973 -3.373 1.00 0.00 H new ATOM 806 N VAL A 56 4.567 -5.403 -2.867 1.00 0.00 N ATOM 807 CA VAL A 56 4.202 -4.096 -2.333 1.00 0.00 C ATOM 808 C VAL A 56 5.377 -3.451 -1.607 1.00 0.00 C ATOM 809 O VAL A 56 5.973 -4.051 -0.712 1.00 0.00 O ATOM 810 CB VAL A 56 3.008 -4.198 -1.366 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.724 -2.849 -0.723 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.778 -4.722 -2.091 1.00 0.00 C ATOM 0 H VAL A 56 4.304 -6.189 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 56 3.919 -3.475 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 56 3.263 -4.904 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.877 -2.941 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.602 -2.519 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.490 -2.119 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.944 -4.788 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.518 -4.044 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.989 -5.711 -2.498 1.00 0.00 H new ATOM 822 N VAL A 57 5.706 -2.224 -1.998 1.00 0.00 N ATOM 823 CA VAL A 57 6.810 -1.496 -1.383 1.00 0.00 C ATOM 824 C VAL A 57 6.307 -0.269 -0.631 1.00 0.00 C ATOM 825 O VAL A 57 5.617 0.579 -1.197 1.00 0.00 O ATOM 826 CB VAL A 57 7.844 -1.052 -2.434 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.863 -0.107 -1.816 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.532 -2.263 -3.049 1.00 0.00 C ATOM 0 H VAL A 57 5.224 -1.713 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 57 7.288 -2.179 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 57 7.322 -0.516 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.585 0.196 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.353 0.775 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.382 -0.613 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.260 -1.931 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.041 -2.828 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.789 -2.898 -3.530 1.00 0.00 H new ATOM 838 N ARG A 58 6.659 -0.180 0.647 1.00 0.00 N ATOM 839 CA ARG A 58 6.243 0.944 1.478 1.00 0.00 C ATOM 840 C ARG A 58 7.341 2.001 1.551 1.00 0.00 C ATOM 841 O ARG A 58 7.078 3.163 1.860 1.00 0.00 O ATOM 842 CB ARG A 58 5.890 0.461 2.886 1.00 0.00 C ATOM 843 CG ARG A 58 4.631 -0.388 2.941 1.00 0.00 C ATOM 844 CD ARG A 58 3.392 0.466 3.160 1.00 0.00 C ATOM 845 NE ARG A 58 2.334 -0.270 3.848 1.00 0.00 N ATOM 846 CZ ARG A 58 1.075 0.146 3.917 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.718 1.288 3.345 1.00 0.00 N ATOM 848 NH2 ARG A 58 0.169 -0.579 4.561 1.00 0.00 N ATOM 0 H ARG A 58 7.231 -0.873 1.130 1.00 0.00 H new ATOM 0 HA ARG A 58 5.360 1.393 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.725 -0.116 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.763 1.326 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.528 -0.949 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.718 -1.118 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.658 1.348 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.021 0.820 2.198 1.00 0.00 H new ATOM 0 HE ARG A 58 2.576 -1.152 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.411 1.849 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.250 1.605 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.439 -1.457 5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.798 -0.258 4.613 1.00 0.00 H new ATOM 862 N GLY A 59 8.572 1.589 1.265 1.00 0.00 N ATOM 863 CA GLY A 59 9.691 2.513 1.305 1.00 0.00 C ATOM 864 C GLY A 59 11.028 1.802 1.380 1.00 0.00 C ATOM 865 O GLY A 59 11.087 0.572 1.349 1.00 0.00 O ATOM 0 H GLY A 59 8.815 0.633 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.668 3.145 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.584 3.171 2.167 1.00 0.00 H new ATOM 869 N TYR A 60 12.103 2.575 1.477 1.00 0.00 N ATOM 870 CA TYR A 60 13.446 2.012 1.552 1.00 0.00 C ATOM 871 C TYR A 60 14.255 2.679 2.659 1.00 0.00 C ATOM 872 O TYR A 60 14.094 3.869 2.931 1.00 0.00 O ATOM 873 CB TYR A 60 14.164 2.173 0.211 1.00 0.00 C ATOM 874 CG TYR A 60 13.260 1.991 -0.987 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.339 2.970 -1.341 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.326 0.842 -1.764 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.511 2.808 -2.435 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.502 0.672 -2.860 1.00 0.00 C ATOM 879 CZ TYR A 60 11.596 1.658 -3.191 1.00 0.00 C ATOM 880 OH TYR A 60 10.773 1.493 -4.281 1.00 0.00 O ATOM 0 H TYR A 60 12.071 3.594 1.506 1.00 0.00 H new ATOM 0 HA TYR A 60 13.356 0.951 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.616 3.164 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.977 1.449 0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.270 3.872 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.034 0.068 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.801 3.578 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.567 -0.228 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 60 10.961 0.630 -4.705 1.00 0.00 H new ATOM 890 N ALA A 61 15.128 1.904 3.294 1.00 0.00 N ATOM 891 CA ALA A 61 15.966 2.419 4.370 1.00 0.00 C ATOM 892 C ALA A 61 17.406 2.606 3.903 1.00 0.00 C ATOM 893 O ALA A 61 17.989 1.713 3.288 1.00 0.00 O ATOM 894 CB ALA A 61 15.915 1.487 5.571 1.00 0.00 C ATOM 0 H ALA A 61 15.273 0.917 3.082 1.00 0.00 H new ATOM 0 HA ALA A 61 15.578 3.394 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.545 1.884 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.888 1.408 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.275 0.500 5.281 1.00 0.00 H new ATOM 900 N ILE A 62 17.972 3.771 4.199 1.00 0.00 N ATOM 901 CA ILE A 62 19.344 4.074 3.810 1.00 0.00 C ATOM 902 C ILE A 62 20.278 4.039 5.015 1.00 0.00 C ATOM 903 O ILE A 62 20.010 4.665 6.039 1.00 0.00 O ATOM 904 CB ILE A 62 19.446 5.454 3.135 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.481 5.540 1.950 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.874 5.718 2.681 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.986 6.942 1.674 1.00 0.00 C ATOM 0 H ILE A 62 17.502 4.520 4.707 1.00 0.00 H new ATOM 0 HA ILE A 62 19.646 3.307 3.097 1.00 0.00 H new ATOM 0 HB ILE A 62 19.169 6.218 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.978 5.157 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.625 4.892 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.930 6.697 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.540 5.695 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.177 4.951 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.307 6.927 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.460 7.321 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.834 7.590 1.451 1.00 0.00 H new ATOM 919 N GLY A 63 21.378 3.304 4.883 1.00 0.00 N ATOM 920 CA GLY A 63 22.336 3.202 5.968 1.00 0.00 C ATOM 921 C GLY A 63 23.688 3.783 5.604 1.00 0.00 C ATOM 922 O GLY A 63 24.304 3.371 4.620 1.00 0.00 O ATOM 0 H GLY A 63 21.623 2.778 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.945 3.720 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.457 2.155 6.245 1.00 0.00 H new ATOM 926 N TYR A 64 24.150 4.744 6.395 1.00 0.00 N ATOM 927 CA TYR A 64 25.436 5.386 6.148 1.00 0.00 C ATOM 928 C TYR A 64 26.244 5.500 7.437 1.00 0.00 C ATOM 929 O TYR A 64 25.685 5.609 8.527 1.00 0.00 O ATOM 930 CB TYR A 64 25.229 6.773 5.539 1.00 0.00 C ATOM 931 CG TYR A 64 24.452 7.716 6.430 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.096 7.526 6.661 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.075 8.798 7.040 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.382 8.385 7.474 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.370 9.662 7.855 1.00 0.00 C ATOM 936 CZ TYR A 64 23.023 9.451 8.069 1.00 0.00 C ATOM 937 OH TYR A 64 22.317 10.310 8.880 1.00 0.00 O ATOM 0 H TYR A 64 23.653 5.096 7.213 1.00 0.00 H new ATOM 0 HA TYR A 64 25.993 4.767 5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.202 7.213 5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.704 6.669 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.591 6.692 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.129 8.966 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.328 8.222 7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.870 10.498 8.322 1.00 0.00 H new ATOM 0 HH TYR A 64 22.940 10.907 9.345 1.00 0.00 H new ATOM 947 N GLY A 65 27.567 5.475 7.303 1.00 0.00 N ATOM 948 CA GLY A 65 28.433 5.577 8.463 1.00 0.00 C ATOM 949 C GLY A 65 29.869 5.207 8.149 1.00 0.00 C ATOM 950 O GLY A 65 30.131 4.439 7.223 1.00 0.00 O ATOM 0 H GLY A 65 28.054 5.386 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.400 6.596 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.057 4.925 9.252 1.00 0.00 H new ATOM 954 N ILE A 66 30.801 5.756 8.921 1.00 0.00 N ATOM 955 CA ILE A 66 32.218 5.480 8.719 1.00 0.00 C ATOM 956 C ILE A 66 32.568 4.059 9.149 1.00 0.00 C ATOM 957 O ILE A 66 32.869 3.809 10.315 1.00 0.00 O ATOM 958 CB ILE A 66 33.101 6.472 9.499 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.654 7.910 9.226 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.564 6.287 9.124 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.940 8.375 7.816 1.00 0.00 C ATOM 0 H ILE A 66 30.601 6.394 9.691 1.00 0.00 H new ATOM 0 HA ILE A 66 32.413 5.593 7.653 1.00 0.00 H new ATOM 0 HB ILE A 66 32.991 6.273 10.565 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.584 7.991 9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.154 8.577 9.928 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.175 6.995 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.875 5.270 9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.691 6.463 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.597 9.402 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 66 34.012 8.326 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.417 7.732 7.108 1.00 0.00 H new ATOM 973 N GLY A 67 32.528 3.132 8.197 1.00 0.00 N ATOM 974 CA GLY A 67 32.844 1.748 8.496 1.00 0.00 C ATOM 975 C GLY A 67 31.639 0.837 8.368 1.00 0.00 C ATOM 976 O GLY A 67 31.745 -0.274 7.848 1.00 0.00 O ATOM 0 H GLY A 67 32.282 3.315 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.629 1.404 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.241 1.680 9.509 1.00 0.00 H new ATOM 980 N SER A 68 30.491 1.306 8.846 1.00 0.00 N ATOM 981 CA SER A 68 29.262 0.524 8.787 1.00 0.00 C ATOM 982 C SER A 68 28.045 1.433 8.646 1.00 0.00 C ATOM 983 O SER A 68 27.973 2.512 9.235 1.00 0.00 O ATOM 984 CB SER A 68 29.123 -0.341 10.041 1.00 0.00 C ATOM 985 OG SER A 68 29.821 -1.566 9.896 1.00 0.00 O ATOM 0 H SER A 68 30.386 2.224 9.278 1.00 0.00 H new ATOM 0 HA SER A 68 29.314 -0.123 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.509 0.201 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.069 -0.540 10.234 1.00 0.00 H new ATOM 0 HG SER A 68 30.540 -1.457 9.239 1.00 0.00 H new ATOM 991 N PRO A 69 27.065 0.988 7.845 1.00 0.00 N ATOM 992 CA PRO A 69 25.833 1.746 7.607 1.00 0.00 C ATOM 993 C PRO A 69 24.937 1.797 8.839 1.00 0.00 C ATOM 994 O PRO A 69 23.856 2.386 8.809 1.00 0.00 O ATOM 995 CB PRO A 69 25.150 0.966 6.481 1.00 0.00 C ATOM 996 CG PRO A 69 25.674 -0.423 6.609 1.00 0.00 C ATOM 997 CD PRO A 69 27.085 -0.288 7.111 1.00 0.00 C ATOM 0 HA PRO A 69 26.036 2.788 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.065 0.991 6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.387 1.390 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.067 -1.007 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.649 -0.940 5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.362 -1.120 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.803 -0.269 6.291 1.00 0.00 H new ATOM 1005 N HIS A 70 25.392 1.176 9.923 1.00 0.00 N ATOM 1006 CA HIS A 70 24.631 1.152 11.167 1.00 0.00 C ATOM 1007 C HIS A 70 24.653 2.519 11.844 1.00 0.00 C ATOM 1008 O HIS A 70 23.664 2.944 12.440 1.00 0.00 O ATOM 1009 CB HIS A 70 25.194 0.092 12.113 1.00 0.00 C ATOM 1010 CG HIS A 70 25.374 -1.249 11.471 1.00 0.00 C ATOM 1011 ND1 HIS A 70 26.325 -2.159 11.883 1.00 0.00 N ATOM 1012 CD2 HIS A 70 24.717 -1.834 10.442 1.00 0.00 C ATOM 1013 CE1 HIS A 70 26.246 -3.244 11.134 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.278 -3.073 10.252 1.00 0.00 N ATOM 0 H HIS A 70 26.284 0.683 9.965 1.00 0.00 H new ATOM 0 HA HIS A 70 23.598 0.902 10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.155 0.434 12.497 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.527 -0.011 12.969 1.00 0.00 H new ATOM 0 HD2 HIS A 70 23.903 -1.406 9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 70 26.868 -4.122 11.227 1.00 0.00 H new ATOM 0 HE2 HIS A 70 24.993 -3.751 9.545 1.00 0.00 H new ATOM 1023 N ALA A 71 25.789 3.203 11.748 1.00 0.00 N ATOM 1024 CA ALA A 71 25.940 4.522 12.350 1.00 0.00 C ATOM 1025 C ALA A 71 24.630 5.302 12.297 1.00 0.00 C ATOM 1026 O ALA A 71 24.102 5.714 13.329 1.00 0.00 O ATOM 1027 CB ALA A 71 27.047 5.298 11.651 1.00 0.00 C ATOM 0 H ALA A 71 26.618 2.865 11.259 1.00 0.00 H new ATOM 0 HA ALA A 71 26.211 4.388 13.397 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.149 6.281 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.987 4.755 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.799 5.415 10.596 1.00 0.00 H new ATOM 1033 N GLN A 72 24.114 5.502 11.089 1.00 0.00 N ATOM 1034 CA GLN A 72 22.867 6.235 10.903 1.00 0.00 C ATOM 1035 C GLN A 72 21.951 5.510 9.922 1.00 0.00 C ATOM 1036 O GLN A 72 22.414 4.767 9.057 1.00 0.00 O ATOM 1037 CB GLN A 72 23.153 7.651 10.402 1.00 0.00 C ATOM 1038 CG GLN A 72 23.677 8.584 11.482 1.00 0.00 C ATOM 1039 CD GLN A 72 24.445 9.762 10.913 1.00 0.00 C ATOM 1040 OE1 GLN A 72 23.976 10.900 10.950 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.632 9.494 10.383 1.00 0.00 N ATOM 0 H GLN A 72 24.540 5.167 10.225 1.00 0.00 H new ATOM 0 HA GLN A 72 22.362 6.294 11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.881 7.601 9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.239 8.071 9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.840 8.953 12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 72 24.325 8.025 12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.982 8.536 10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.194 10.246 9.985 1.00 0.00 H new ATOM 1050 N THR A 73 20.648 5.732 10.063 1.00 0.00 N ATOM 1051 CA THR A 73 19.666 5.099 9.191 1.00 0.00 C ATOM 1052 C THR A 73 18.532 6.060 8.853 1.00 0.00 C ATOM 1053 O THR A 73 17.914 6.644 9.743 1.00 0.00 O ATOM 1054 CB THR A 73 19.075 3.832 9.836 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.123 2.906 10.146 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.066 3.172 8.908 1.00 0.00 C ATOM 0 H THR A 73 20.248 6.346 10.773 1.00 0.00 H new ATOM 0 HA THR A 73 20.189 4.821 8.276 1.00 0.00 H new ATOM 0 HB THR A 73 18.564 4.123 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.739 2.104 10.557 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.662 2.279 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.255 3.869 8.697 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.557 2.894 7.975 1.00 0.00 H new ATOM 1064 N ILE A 74 18.262 6.218 7.561 1.00 0.00 N ATOM 1065 CA ILE A 74 17.200 7.106 7.106 1.00 0.00 C ATOM 1066 C ILE A 74 16.312 6.419 6.075 1.00 0.00 C ATOM 1067 O ILE A 74 16.740 6.147 4.953 1.00 0.00 O ATOM 1068 CB ILE A 74 17.771 8.399 6.495 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.587 9.165 7.538 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.647 9.269 5.950 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.499 10.214 6.941 1.00 0.00 C ATOM 0 H ILE A 74 18.764 5.742 6.811 1.00 0.00 H new ATOM 0 HA ILE A 74 16.604 7.360 7.983 1.00 0.00 H new ATOM 0 HB ILE A 74 18.431 8.133 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.905 9.645 8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.187 8.457 8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.067 10.179 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.104 8.722 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.964 9.530 6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.046 10.717 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.205 9.738 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.904 10.944 6.393 1.00 0.00 H new ATOM 1083 N LYS A 75 15.071 6.141 6.461 1.00 0.00 N ATOM 1084 CA LYS A 75 14.120 5.488 5.570 1.00 0.00 C ATOM 1085 C LYS A 75 13.002 6.446 5.171 1.00 0.00 C ATOM 1086 O LYS A 75 12.361 7.058 6.025 1.00 0.00 O ATOM 1087 CB LYS A 75 13.527 4.248 6.244 1.00 0.00 C ATOM 1088 CG LYS A 75 13.214 4.447 7.717 1.00 0.00 C ATOM 1089 CD LYS A 75 12.788 3.147 8.378 1.00 0.00 C ATOM 1090 CE LYS A 75 13.166 3.120 9.851 1.00 0.00 C ATOM 1091 NZ LYS A 75 12.091 3.687 10.710 1.00 0.00 N ATOM 0 H LYS A 75 14.700 6.358 7.386 1.00 0.00 H new ATOM 0 HA LYS A 75 14.653 5.185 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.613 3.963 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.226 3.418 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.092 4.844 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.421 5.187 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.710 3.022 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.256 2.307 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.370 2.093 10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.086 3.685 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.387 3.650 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.914 4.675 10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.220 3.132 10.587 1.00 0.00 H new ATOM 1105 N VAL A 76 12.773 6.570 3.868 1.00 0.00 N ATOM 1106 CA VAL A 76 11.730 7.452 3.356 1.00 0.00 C ATOM 1107 C VAL A 76 10.591 6.652 2.734 1.00 0.00 C ATOM 1108 O VAL A 76 10.616 5.421 2.724 1.00 0.00 O ATOM 1109 CB VAL A 76 12.289 8.430 2.306 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.006 9.589 2.983 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.219 7.706 1.344 1.00 0.00 C ATOM 0 H VAL A 76 13.295 6.071 3.147 1.00 0.00 H new ATOM 0 HA VAL A 76 11.350 8.020 4.205 1.00 0.00 H new ATOM 0 HB VAL A 76 11.455 8.835 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.394 10.269 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.307 10.123 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.831 9.206 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.604 8.413 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.050 7.271 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.670 6.915 0.833 1.00 0.00 H new ATOM 1121 N ASP A 77 9.594 7.360 2.215 1.00 0.00 N ATOM 1122 CA ASP A 77 8.444 6.716 1.589 1.00 0.00 C ATOM 1123 C ASP A 77 8.846 6.038 0.282 1.00 0.00 C ATOM 1124 O ASP A 77 10.027 5.981 -0.061 1.00 0.00 O ATOM 1125 CB ASP A 77 7.339 7.741 1.327 1.00 0.00 C ATOM 1126 CG ASP A 77 5.954 7.131 1.407 1.00 0.00 C ATOM 1127 OD1 ASP A 77 5.802 6.087 2.077 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.020 7.698 0.802 1.00 0.00 O ATOM 0 H ASP A 77 9.558 8.379 2.215 1.00 0.00 H new ATOM 0 HA ASP A 77 8.068 5.954 2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.419 8.551 2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.482 8.182 0.340 1.00 0.00 H new ATOM 1133 N TYR A 78 7.857 5.525 -0.440 1.00 0.00 N ATOM 1134 CA TYR A 78 8.107 4.848 -1.707 1.00 0.00 C ATOM 1135 C TYR A 78 8.205 5.852 -2.852 1.00 0.00 C ATOM 1136 O TYR A 78 8.713 5.537 -3.928 1.00 0.00 O ATOM 1137 CB TYR A 78 6.998 3.835 -1.995 1.00 0.00 C ATOM 1138 CG TYR A 78 5.606 4.417 -1.899 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.004 4.627 -0.665 1.00 0.00 C ATOM 1140 CD2 TYR A 78 4.894 4.757 -3.042 1.00 0.00 C ATOM 1141 CE1 TYR A 78 3.732 5.158 -0.572 1.00 0.00 C ATOM 1142 CE2 TYR A 78 3.622 5.289 -2.959 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.045 5.488 -1.722 1.00 0.00 C ATOM 1144 OH TYR A 78 1.778 6.018 -1.634 1.00 0.00 O ATOM 0 H TYR A 78 6.874 5.565 -0.170 1.00 0.00 H new ATOM 0 HA TYR A 78 9.059 4.322 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.143 3.425 -2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.085 3.005 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.539 4.371 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.343 4.603 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.278 5.314 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.082 5.548 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 78 1.435 6.196 -2.534 1.00 0.00 H new ATOM 1154 N LYS A 79 7.714 7.063 -2.611 1.00 0.00 N ATOM 1155 CA LYS A 79 7.746 8.116 -3.619 1.00 0.00 C ATOM 1156 C LYS A 79 9.048 8.907 -3.539 1.00 0.00 C ATOM 1157 O LYS A 79 9.055 10.126 -3.704 1.00 0.00 O ATOM 1158 CB LYS A 79 6.553 9.058 -3.440 1.00 0.00 C ATOM 1159 CG LYS A 79 5.212 8.396 -3.701 1.00 0.00 C ATOM 1160 CD LYS A 79 4.953 8.228 -5.189 1.00 0.00 C ATOM 1161 CE LYS A 79 3.464 8.251 -5.502 1.00 0.00 C ATOM 1162 NZ LYS A 79 3.173 7.696 -6.853 1.00 0.00 N ATOM 0 H LYS A 79 7.289 7.340 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 79 7.687 7.646 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.562 9.453 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.667 9.907 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.186 7.421 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.417 8.996 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.454 9.025 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.383 7.286 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.926 7.675 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.096 9.275 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.148 7.729 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.666 8.261 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.501 6.710 -6.901 1.00 0.00 H new ATOM 1176 N GLN A 80 10.148 8.204 -3.285 1.00 0.00 N ATOM 1177 CA GLN A 80 11.455 8.841 -3.184 1.00 0.00 C ATOM 1178 C GLN A 80 12.462 8.168 -4.111 1.00 0.00 C ATOM 1179 O GLN A 80 12.858 7.024 -3.888 1.00 0.00 O ATOM 1180 CB GLN A 80 11.960 8.791 -1.741 1.00 0.00 C ATOM 1181 CG GLN A 80 11.181 9.688 -0.793 1.00 0.00 C ATOM 1182 CD GLN A 80 10.796 11.011 -1.425 1.00 0.00 C ATOM 1183 OE1 GLN A 80 11.580 11.614 -2.158 1.00 0.00 O ATOM 1184 NE2 GLN A 80 9.582 11.471 -1.144 1.00 0.00 N ATOM 0 H GLN A 80 10.159 7.194 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 80 11.348 9.882 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.907 7.763 -1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.010 9.081 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.279 9.169 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.780 9.876 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.964 10.939 -0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.268 12.356 -1.541 1.00 0.00 H new ATOM 1193 N ARG A 81 12.872 8.886 -5.152 1.00 0.00 N ATOM 1194 CA ARG A 81 13.831 8.357 -6.114 1.00 0.00 C ATOM 1195 C ARG A 81 15.240 8.350 -5.529 1.00 0.00 C ATOM 1196 O ARG A 81 16.012 7.417 -5.753 1.00 0.00 O ATOM 1197 CB ARG A 81 13.806 9.186 -7.400 1.00 0.00 C ATOM 1198 CG ARG A 81 15.083 9.081 -8.217 1.00 0.00 C ATOM 1199 CD ARG A 81 15.236 7.701 -8.837 1.00 0.00 C ATOM 1200 NE ARG A 81 16.044 7.733 -10.053 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.956 6.825 -11.019 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.100 5.819 -10.911 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.726 6.922 -12.095 1.00 0.00 N ATOM 0 H ARG A 81 12.555 9.835 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 81 13.547 7.331 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.965 8.864 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.633 10.231 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.076 9.836 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.942 9.292 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.696 7.028 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.251 7.296 -9.067 1.00 0.00 H new ATOM 0 HE ARG A 81 16.713 8.495 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.507 5.741 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.034 5.123 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.387 7.694 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.657 6.224 -12.836 1.00 0.00 H new ATOM 1217 N TYR A 82 15.569 9.396 -4.778 1.00 0.00 N ATOM 1218 CA TYR A 82 16.885 9.511 -4.163 1.00 0.00 C ATOM 1219 C TYR A 82 16.822 10.358 -2.895 1.00 0.00 C ATOM 1220 O TYR A 82 15.770 10.894 -2.545 1.00 0.00 O ATOM 1221 CB TYR A 82 17.880 10.125 -5.149 1.00 0.00 C ATOM 1222 CG TYR A 82 17.695 11.612 -5.350 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.731 12.101 -6.223 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.484 12.529 -4.665 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.559 13.459 -6.409 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.318 13.888 -4.845 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.355 14.349 -5.718 1.00 0.00 C ATOM 1228 OH TYR A 82 17.186 15.702 -5.900 1.00 0.00 O ATOM 0 H TYR A 82 14.942 10.176 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 82 17.220 8.509 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.893 9.938 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.782 9.622 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.105 11.408 -6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.240 12.172 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.805 13.822 -7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.939 14.587 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 82 17.824 16.190 -5.339 1.00 0.00 H new ATOM 1238 N TYR A 83 17.955 10.473 -2.211 1.00 0.00 N ATOM 1239 CA TYR A 83 18.029 11.252 -0.981 1.00 0.00 C ATOM 1240 C TYR A 83 19.355 12.001 -0.890 1.00 0.00 C ATOM 1241 O TYR A 83 20.421 11.436 -1.137 1.00 0.00 O ATOM 1242 CB TYR A 83 17.862 10.340 0.236 1.00 0.00 C ATOM 1243 CG TYR A 83 17.655 11.091 1.531 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.425 11.660 1.839 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.689 11.234 2.448 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.231 12.348 3.021 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.505 11.918 3.633 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.274 12.474 3.915 1.00 0.00 C ATOM 1249 OH TYR A 83 17.086 13.158 5.094 1.00 0.00 O ATOM 0 H TYR A 83 18.835 10.037 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 83 17.220 11.982 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.012 9.678 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.745 9.708 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.606 11.562 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.655 10.802 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.269 12.785 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.320 12.017 4.335 1.00 0.00 H new ATOM 0 HH TYR A 83 17.918 13.154 5.611 1.00 0.00 H new ATOM 1259 N THR A 84 19.281 13.280 -0.533 1.00 0.00 N ATOM 1260 CA THR A 84 20.473 14.109 -0.409 1.00 0.00 C ATOM 1261 C THR A 84 20.961 14.159 1.034 1.00 0.00 C ATOM 1262 O THR A 84 20.463 14.946 1.840 1.00 0.00 O ATOM 1263 CB THR A 84 20.213 15.545 -0.902 1.00 0.00 C ATOM 1264 OG1 THR A 84 19.721 15.520 -2.246 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.483 16.379 -0.836 1.00 0.00 C ATOM 0 H THR A 84 18.407 13.764 -0.325 1.00 0.00 H new ATOM 0 HA THR A 84 21.241 13.652 -1.033 1.00 0.00 H new ATOM 0 HB THR A 84 19.466 15.999 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.557 16.437 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.274 17.389 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.838 16.421 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.249 15.926 -1.465 1.00 0.00 H new ATOM 1273 N ILE A 85 21.937 13.316 1.354 1.00 0.00 N ATOM 1274 CA ILE A 85 22.492 13.267 2.700 1.00 0.00 C ATOM 1275 C ILE A 85 23.486 14.401 2.927 1.00 0.00 C ATOM 1276 O ILE A 85 24.652 14.302 2.548 1.00 0.00 O ATOM 1277 CB ILE A 85 23.194 11.923 2.971 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.249 10.759 2.666 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.676 11.857 4.412 1.00 0.00 C ATOM 1280 CD1 ILE A 85 22.908 9.401 2.773 1.00 0.00 C ATOM 0 H ILE A 85 22.359 12.658 0.699 1.00 0.00 H new ATOM 0 HA ILE A 85 21.655 13.377 3.390 1.00 0.00 H new ATOM 0 HB ILE A 85 24.061 11.845 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.403 10.799 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.848 10.881 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.170 10.901 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.380 12.668 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.824 11.954 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.179 8.624 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.736 9.342 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.284 9.258 3.786 1.00 0.00 H new ATOM 1292 N GLU A 86 23.015 15.477 3.549 1.00 0.00 N ATOM 1293 CA GLU A 86 23.864 16.630 3.828 1.00 0.00 C ATOM 1294 C GLU A 86 24.349 16.612 5.274 1.00 0.00 C ATOM 1295 O GLU A 86 23.891 15.807 6.084 1.00 0.00 O ATOM 1296 CB GLU A 86 23.105 17.929 3.549 1.00 0.00 C ATOM 1297 CG GLU A 86 22.431 17.960 2.188 1.00 0.00 C ATOM 1298 CD GLU A 86 21.207 18.855 2.164 1.00 0.00 C ATOM 1299 OE1 GLU A 86 21.202 19.873 2.887 1.00 0.00 O ATOM 1300 OE2 GLU A 86 20.254 18.537 1.422 1.00 0.00 O ATOM 0 H GLU A 86 22.051 15.575 3.869 1.00 0.00 H new ATOM 0 HA GLU A 86 24.733 16.577 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.350 18.072 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.798 18.767 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.145 18.307 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.142 16.947 1.907 1.00 0.00 H new ATOM 1307 N ASN A 87 25.281 17.505 5.591 1.00 0.00 N ATOM 1308 CA ASN A 87 25.831 17.591 6.939 1.00 0.00 C ATOM 1309 C ASN A 87 26.755 16.412 7.226 1.00 0.00 C ATOM 1310 O ASN A 87 26.690 15.804 8.296 1.00 0.00 O ATOM 1311 CB ASN A 87 24.702 17.632 7.971 1.00 0.00 C ATOM 1312 CG ASN A 87 23.503 18.423 7.485 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.587 19.634 7.278 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.379 17.740 7.300 1.00 0.00 N ATOM 0 H ASN A 87 25.671 18.179 4.933 1.00 0.00 H new ATOM 0 HA ASN A 87 26.412 18.510 7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.391 16.614 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.074 18.073 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.539 18.218 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.355 16.737 7.484 1.00 0.00 H new ATOM 1321 N LEU A 88 27.616 16.094 6.265 1.00 0.00 N ATOM 1322 CA LEU A 88 28.555 14.988 6.415 1.00 0.00 C ATOM 1323 C LEU A 88 29.990 15.498 6.490 1.00 0.00 C ATOM 1324 O LEU A 88 30.276 16.636 6.115 1.00 0.00 O ATOM 1325 CB LEU A 88 28.410 14.009 5.248 1.00 0.00 C ATOM 1326 CG LEU A 88 27.046 13.333 5.103 1.00 0.00 C ATOM 1327 CD1 LEU A 88 26.923 12.666 3.743 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.833 12.320 6.218 1.00 0.00 C ATOM 0 H LEU A 88 27.683 16.586 5.374 1.00 0.00 H new ATOM 0 HA LEU A 88 28.324 14.471 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.628 14.543 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.168 13.233 5.355 1.00 0.00 H new ATOM 0 HG LEU A 88 26.272 14.097 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 88 25.946 12.190 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.031 13.416 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.704 11.913 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.858 11.848 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.612 11.559 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.877 12.826 7.182 1.00 0.00 H new ATOM 1340 N ASP A 89 30.889 14.650 6.976 1.00 0.00 N ATOM 1341 CA ASP A 89 32.296 15.014 7.098 1.00 0.00 C ATOM 1342 C ASP A 89 33.039 14.759 5.790 1.00 0.00 C ATOM 1343 O ASP A 89 33.152 13.625 5.323 1.00 0.00 O ATOM 1344 CB ASP A 89 32.952 14.226 8.233 1.00 0.00 C ATOM 1345 CG ASP A 89 32.439 14.641 9.598 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.345 15.860 9.851 1.00 0.00 O ATOM 1347 OD2 ASP A 89 32.131 13.746 10.413 1.00 0.00 O ATOM 0 H ASP A 89 30.669 13.706 7.292 1.00 0.00 H new ATOM 0 HA ASP A 89 32.352 16.079 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.767 13.162 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.032 14.370 8.195 1.00 0.00 H new ATOM 1352 N PRO A 90 33.556 15.837 5.183 1.00 0.00 N ATOM 1353 CA PRO A 90 34.296 15.756 3.920 1.00 0.00 C ATOM 1354 C PRO A 90 35.651 15.078 4.085 1.00 0.00 C ATOM 1355 O PRO A 90 36.216 15.055 5.179 1.00 0.00 O ATOM 1356 CB PRO A 90 34.477 17.223 3.520 1.00 0.00 C ATOM 1357 CG PRO A 90 34.416 17.976 4.804 1.00 0.00 C ATOM 1358 CD PRO A 90 33.459 17.219 5.683 1.00 0.00 C ATOM 0 HA PRO A 90 33.768 15.159 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.429 17.381 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 90 33.694 17.546 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.401 18.041 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.072 18.997 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 90 33.740 17.287 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.444 17.606 5.599 1.00 0.00 H new ATOM 1366 N SER A 91 36.169 14.526 2.992 1.00 0.00 N ATOM 1367 CA SER A 91 37.457 13.843 3.017 1.00 0.00 C ATOM 1368 C SER A 91 37.382 12.572 3.856 1.00 0.00 C ATOM 1369 O SER A 91 38.164 12.384 4.788 1.00 0.00 O ATOM 1370 CB SER A 91 38.539 14.772 3.571 1.00 0.00 C ATOM 1371 OG SER A 91 39.832 14.331 3.193 1.00 0.00 O ATOM 0 H SER A 91 35.716 14.539 2.078 1.00 0.00 H new ATOM 0 HA SER A 91 37.714 13.567 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.375 15.785 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.468 14.811 4.658 1.00 0.00 H new ATOM 0 HG SER A 91 40.506 14.942 3.558 1.00 0.00 H new ATOM 1377 N SER A 92 36.436 11.702 3.519 1.00 0.00 N ATOM 1378 CA SER A 92 36.255 10.450 4.244 1.00 0.00 C ATOM 1379 C SER A 92 35.355 9.496 3.464 1.00 0.00 C ATOM 1380 O SER A 92 34.448 9.925 2.749 1.00 0.00 O ATOM 1381 CB SER A 92 35.657 10.718 5.626 1.00 0.00 C ATOM 1382 OG SER A 92 34.617 11.678 5.555 1.00 0.00 O ATOM 0 H SER A 92 35.783 11.841 2.748 1.00 0.00 H new ATOM 0 HA SER A 92 37.233 9.983 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.270 9.789 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 92 36.437 11.071 6.301 1.00 0.00 H new ATOM 0 HG SER A 92 35.003 12.571 5.438 1.00 0.00 H new ATOM 1388 N HIS A 93 35.612 8.200 3.606 1.00 0.00 N ATOM 1389 CA HIS A 93 34.825 7.184 2.916 1.00 0.00 C ATOM 1390 C HIS A 93 33.547 6.869 3.688 1.00 0.00 C ATOM 1391 O HIS A 93 33.553 6.805 4.917 1.00 0.00 O ATOM 1392 CB HIS A 93 35.650 5.909 2.731 1.00 0.00 C ATOM 1393 CG HIS A 93 34.824 4.706 2.394 1.00 0.00 C ATOM 1394 ND1 HIS A 93 33.855 4.529 1.466 1.00 0.00 N flip ATOM 1395 CD2 HIS A 93 34.951 3.499 3.049 1.00 0.00 C flip ATOM 1396 CE1 HIS A 93 33.419 3.231 1.575 1.00 0.00 C flip ATOM 1397 NE2 HIS A 93 34.097 2.631 2.537 1.00 0.00 N flip ATOM 0 H HIS A 93 36.359 7.828 4.193 1.00 0.00 H new ATOM 0 HA HIS A 93 34.550 7.576 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.382 6.071 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.209 5.711 3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 93 35.641 3.295 3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 93 32.647 2.775 0.972 1.00 0.00 H new ATOM 0 HE2 HIS A 93 33.981 1.662 2.834 1.00 0.00 H new ATOM 1406 N TYR A 94 32.454 6.676 2.958 1.00 0.00 N ATOM 1407 CA TYR A 94 31.168 6.372 3.574 1.00 0.00 C ATOM 1408 C TYR A 94 30.511 5.172 2.899 1.00 0.00 C ATOM 1409 O TYR A 94 30.466 5.083 1.672 1.00 0.00 O ATOM 1410 CB TYR A 94 30.241 7.586 3.495 1.00 0.00 C ATOM 1411 CG TYR A 94 30.398 8.544 4.655 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.530 9.341 4.775 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.414 8.653 5.630 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.678 10.216 5.833 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.552 9.527 6.690 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.686 10.306 6.788 1.00 0.00 C ATOM 1417 OH TYR A 94 30.829 11.178 7.843 1.00 0.00 O ATOM 0 H TYR A 94 32.433 6.725 1.939 1.00 0.00 H new ATOM 0 HA TYR A 94 31.345 6.126 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.434 8.120 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.208 7.242 3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.307 9.275 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.526 8.043 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.565 10.827 5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 94 28.776 9.600 7.438 1.00 0.00 H new ATOM 0 HH TYR A 94 30.042 11.120 8.424 1.00 0.00 H new ATOM 1427 N VAL A 95 30.002 4.250 3.710 1.00 0.00 N ATOM 1428 CA VAL A 95 29.345 3.056 3.194 1.00 0.00 C ATOM 1429 C VAL A 95 27.829 3.219 3.192 1.00 0.00 C ATOM 1430 O VAL A 95 27.196 3.237 4.248 1.00 0.00 O ATOM 1431 CB VAL A 95 29.715 1.810 4.020 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.977 0.586 3.500 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.220 1.584 3.998 1.00 0.00 C ATOM 0 H VAL A 95 30.032 4.308 4.728 1.00 0.00 H new ATOM 0 HA VAL A 95 29.694 2.921 2.170 1.00 0.00 H new ATOM 0 HB VAL A 95 29.410 1.977 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.251 -0.285 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.902 0.751 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.248 0.413 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.464 0.700 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.551 1.438 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.725 2.452 4.422 1.00 0.00 H new ATOM 1443 N ILE A 96 27.253 3.337 2.001 1.00 0.00 N ATOM 1444 CA ILE A 96 25.811 3.497 1.862 1.00 0.00 C ATOM 1445 C ILE A 96 25.133 2.158 1.594 1.00 0.00 C ATOM 1446 O ILE A 96 25.635 1.337 0.826 1.00 0.00 O ATOM 1447 CB ILE A 96 25.460 4.474 0.725 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.868 5.900 1.104 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.973 4.409 0.411 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.345 6.172 0.930 1.00 0.00 C ATOM 0 H ILE A 96 27.763 3.325 1.118 1.00 0.00 H new ATOM 0 HA ILE A 96 25.446 3.904 2.805 1.00 0.00 H new ATOM 0 HB ILE A 96 26.013 4.183 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.303 6.605 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.593 6.084 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.740 5.105 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.710 3.397 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.401 4.678 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.562 7.201 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.917 5.491 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.622 6.020 -0.113 1.00 0.00 H new ATOM 1462 N THR A 97 23.986 1.943 2.231 1.00 0.00 N ATOM 1463 CA THR A 97 23.237 0.704 2.061 1.00 0.00 C ATOM 1464 C THR A 97 21.748 0.981 1.889 1.00 0.00 C ATOM 1465 O THR A 97 21.163 1.772 2.631 1.00 0.00 O ATOM 1466 CB THR A 97 23.437 -0.242 3.260 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.114 0.437 4.479 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.871 -0.745 3.319 1.00 0.00 C ATOM 0 H THR A 97 23.555 2.611 2.870 1.00 0.00 H new ATOM 0 HA THR A 97 23.620 0.224 1.161 1.00 0.00 H new ATOM 0 HB THR A 97 22.773 -1.098 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.930 -0.221 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.988 -1.411 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.105 -1.286 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.550 0.102 3.423 1.00 0.00 H new ATOM 1476 N LEU A 98 21.139 0.326 0.907 1.00 0.00 N ATOM 1477 CA LEU A 98 19.716 0.501 0.638 1.00 0.00 C ATOM 1478 C LEU A 98 18.988 -0.839 0.664 1.00 0.00 C ATOM 1479 O LEU A 98 19.511 -1.852 0.199 1.00 0.00 O ATOM 1480 CB LEU A 98 19.512 1.178 -0.718 1.00 0.00 C ATOM 1481 CG LEU A 98 18.066 1.299 -1.198 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.452 2.606 -0.721 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.996 1.198 -2.715 1.00 0.00 C ATOM 0 H LEU A 98 21.608 -0.331 0.284 1.00 0.00 H new ATOM 0 HA LEU A 98 19.300 1.136 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.943 2.178 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.077 0.623 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 98 17.493 0.475 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.423 2.674 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.466 2.638 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.027 3.444 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.959 1.286 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.584 2.000 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.395 0.235 -3.034 1.00 0.00 H new ATOM 1495 N LYS A 99 17.776 -0.838 1.210 1.00 0.00 N ATOM 1496 CA LYS A 99 16.973 -2.052 1.294 1.00 0.00 C ATOM 1497 C LYS A 99 15.484 -1.723 1.263 1.00 0.00 C ATOM 1498 O LYS A 99 15.042 -0.748 1.870 1.00 0.00 O ATOM 1499 CB LYS A 99 17.309 -2.823 2.573 1.00 0.00 C ATOM 1500 CG LYS A 99 16.750 -2.184 3.833 1.00 0.00 C ATOM 1501 CD LYS A 99 16.734 -3.164 4.994 1.00 0.00 C ATOM 1502 CE LYS A 99 18.028 -3.105 5.791 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.277 -1.745 6.344 1.00 0.00 N ATOM 0 H LYS A 99 17.328 -0.009 1.601 1.00 0.00 H new ATOM 0 HA LYS A 99 17.208 -2.673 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.921 -3.838 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.392 -2.902 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.351 -1.314 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.738 -1.827 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.892 -2.940 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.584 -4.175 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.985 -3.827 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.862 -3.395 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.826 -1.823 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.811 -1.181 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.369 -1.279 6.543 1.00 0.00 H new ATOM 1517 N ALA A 100 14.716 -2.543 0.554 1.00 0.00 N ATOM 1518 CA ALA A 100 13.276 -2.341 0.448 1.00 0.00 C ATOM 1519 C ALA A 100 12.536 -3.060 1.570 1.00 0.00 C ATOM 1520 O ALA A 100 12.790 -4.233 1.843 1.00 0.00 O ATOM 1521 CB ALA A 100 12.775 -2.817 -0.908 1.00 0.00 C ATOM 0 H ALA A 100 15.067 -3.354 0.044 1.00 0.00 H new ATOM 0 HA ALA A 100 13.076 -1.274 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.698 -2.660 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.272 -2.254 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.995 -3.878 -1.025 1.00 0.00 H new ATOM 1527 N PHE A 101 11.621 -2.348 2.220 1.00 0.00 N ATOM 1528 CA PHE A 101 10.845 -2.918 3.315 1.00 0.00 C ATOM 1529 C PHE A 101 9.365 -2.577 3.168 1.00 0.00 C ATOM 1530 O PHE A 101 9.010 -1.481 2.737 1.00 0.00 O ATOM 1531 CB PHE A 101 11.367 -2.406 4.659 1.00 0.00 C ATOM 1532 CG PHE A 101 11.001 -0.976 4.939 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.795 0.059 4.473 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.864 -0.668 5.667 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.461 1.376 4.729 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.525 0.647 5.926 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.324 1.670 5.456 1.00 0.00 C ATOM 0 H PHE A 101 11.399 -1.375 2.007 1.00 0.00 H new ATOM 0 HA PHE A 101 10.955 -4.002 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.973 -3.036 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.452 -2.506 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.685 -0.165 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.235 -1.464 6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.089 2.174 4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.636 0.874 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.061 2.698 5.656 1.00 0.00 H new ATOM 1547 N ASN A 102 8.507 -3.525 3.529 1.00 0.00 N ATOM 1548 CA ASN A 102 7.065 -3.326 3.437 1.00 0.00 C ATOM 1549 C ASN A 102 6.383 -3.667 4.759 1.00 0.00 C ATOM 1550 O ASN A 102 7.045 -3.965 5.752 1.00 0.00 O ATOM 1551 CB ASN A 102 6.481 -4.185 2.313 1.00 0.00 C ATOM 1552 CG ASN A 102 6.799 -5.658 2.486 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.622 -6.033 3.322 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.147 -6.501 1.694 1.00 0.00 N ATOM 0 H ASN A 102 8.785 -4.438 3.888 1.00 0.00 H new ATOM 0 HA ASN A 102 6.882 -2.275 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.400 -4.051 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.873 -3.841 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.320 -7.504 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.473 -6.146 1.015 1.00 0.00 H new ATOM 1561 N ASN A 103 5.055 -3.622 4.762 1.00 0.00 N ATOM 1562 CA ASN A 103 4.282 -3.926 5.961 1.00 0.00 C ATOM 1563 C ASN A 103 4.728 -5.251 6.574 1.00 0.00 C ATOM 1564 O ASN A 103 4.602 -5.463 7.780 1.00 0.00 O ATOM 1565 CB ASN A 103 2.789 -3.981 5.631 1.00 0.00 C ATOM 1566 CG ASN A 103 1.919 -3.816 6.862 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.098 -2.881 7.642 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.970 -4.728 7.042 1.00 0.00 N ATOM 0 H ASN A 103 4.491 -3.378 3.948 1.00 0.00 H new ATOM 0 HA ASN A 103 4.457 -3.132 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.549 -3.197 4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.560 -4.933 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.354 -4.670 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.857 -5.487 6.369 1.00 0.00 H new ATOM 1575 N VAL A 104 5.249 -6.139 5.734 1.00 0.00 N ATOM 1576 CA VAL A 104 5.715 -7.443 6.192 1.00 0.00 C ATOM 1577 C VAL A 104 7.098 -7.340 6.826 1.00 0.00 C ATOM 1578 O VAL A 104 7.324 -7.833 7.930 1.00 0.00 O ATOM 1579 CB VAL A 104 5.767 -8.458 5.035 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.341 -9.783 5.514 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.383 -8.653 4.436 1.00 0.00 C ATOM 0 H VAL A 104 5.359 -5.980 4.733 1.00 0.00 H new ATOM 0 HA VAL A 104 5.001 -7.791 6.939 1.00 0.00 H new ATOM 0 HB VAL A 104 6.422 -8.065 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.370 -10.488 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.351 -9.626 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.713 -10.185 6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.438 -9.373 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.704 -9.025 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.014 -7.701 4.055 1.00 0.00 H new ATOM 1591 N GLY A 105 8.021 -6.695 6.119 1.00 0.00 N ATOM 1592 CA GLY A 105 9.371 -6.539 6.628 1.00 0.00 C ATOM 1593 C GLY A 105 10.352 -6.120 5.552 1.00 0.00 C ATOM 1594 O GLY A 105 9.951 -5.713 4.462 1.00 0.00 O ATOM 0 H GLY A 105 7.858 -6.278 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.372 -5.796 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.700 -7.480 7.069 1.00 0.00 H new ATOM 1598 N GLU A 106 11.642 -6.219 5.858 1.00 0.00 N ATOM 1599 CA GLU A 106 12.683 -5.845 4.908 1.00 0.00 C ATOM 1600 C GLU A 106 13.385 -7.082 4.354 1.00 0.00 C ATOM 1601 O GLU A 106 13.241 -8.181 4.887 1.00 0.00 O ATOM 1602 CB GLU A 106 13.705 -4.921 5.574 1.00 0.00 C ATOM 1603 CG GLU A 106 14.232 -5.450 6.897 1.00 0.00 C ATOM 1604 CD GLU A 106 15.078 -6.697 6.732 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.166 -6.600 6.127 1.00 0.00 O ATOM 1606 OE2 GLU A 106 14.652 -7.770 7.208 1.00 0.00 O ATOM 0 H GLU A 106 11.991 -6.555 6.756 1.00 0.00 H new ATOM 0 HA GLU A 106 12.210 -5.316 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.543 -4.769 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.247 -3.946 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.825 -4.675 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.392 -5.670 7.556 1.00 0.00 H new ATOM 1613 N GLY A 107 14.145 -6.893 3.280 1.00 0.00 N ATOM 1614 CA GLY A 107 14.858 -8.001 2.671 1.00 0.00 C ATOM 1615 C GLY A 107 16.355 -7.918 2.891 1.00 0.00 C ATOM 1616 O GLY A 107 16.818 -7.829 4.029 1.00 0.00 O ATOM 0 H GLY A 107 14.280 -5.992 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.485 -8.939 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.652 -8.018 1.601 1.00 0.00 H new ATOM 1620 N ILE A 108 17.114 -7.950 1.801 1.00 0.00 N ATOM 1621 CA ILE A 108 18.568 -7.879 1.881 1.00 0.00 C ATOM 1622 C ILE A 108 19.084 -6.550 1.339 1.00 0.00 C ATOM 1623 O ILE A 108 18.859 -6.194 0.182 1.00 0.00 O ATOM 1624 CB ILE A 108 19.232 -9.030 1.103 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.325 -9.492 -0.039 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.546 -10.189 2.038 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.264 -10.480 0.392 1.00 0.00 C ATOM 0 H ILE A 108 16.747 -8.025 0.852 1.00 0.00 H new ATOM 0 HA ILE A 108 18.830 -7.966 2.935 1.00 0.00 H new ATOM 0 HB ILE A 108 20.168 -8.668 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.841 -8.622 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.938 -9.946 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.015 -10.995 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.225 -9.851 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.623 -10.552 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.659 -10.763 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.741 -11.368 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.627 -10.022 1.149 1.00 0.00 H new ATOM 1639 N PRO A 109 19.795 -5.798 2.192 1.00 0.00 N ATOM 1640 CA PRO A 109 20.360 -4.498 1.820 1.00 0.00 C ATOM 1641 C PRO A 109 21.508 -4.628 0.826 1.00 0.00 C ATOM 1642 O PRO A 109 21.977 -5.732 0.544 1.00 0.00 O ATOM 1643 CB PRO A 109 20.866 -3.937 3.152 1.00 0.00 C ATOM 1644 CG PRO A 109 21.127 -5.138 3.994 1.00 0.00 C ATOM 1645 CD PRO A 109 20.101 -6.160 3.586 1.00 0.00 C ATOM 0 HA PRO A 109 19.627 -3.861 1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.771 -3.346 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.126 -3.283 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.138 -5.514 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.039 -4.898 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.492 -7.175 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.214 -6.113 4.217 1.00 0.00 H new ATOM 1653 N LEU A 110 21.958 -3.496 0.297 1.00 0.00 N ATOM 1654 CA LEU A 110 23.053 -3.483 -0.667 1.00 0.00 C ATOM 1655 C LEU A 110 24.308 -2.867 -0.057 1.00 0.00 C ATOM 1656 O LEU A 110 24.300 -2.427 1.093 1.00 0.00 O ATOM 1657 CB LEU A 110 22.647 -2.705 -1.920 1.00 0.00 C ATOM 1658 CG LEU A 110 21.591 -3.366 -2.808 1.00 0.00 C ATOM 1659 CD1 LEU A 110 21.102 -2.394 -3.870 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.150 -4.627 -3.452 1.00 0.00 C ATOM 0 H LEU A 110 21.581 -2.574 0.519 1.00 0.00 H new ATOM 0 HA LEU A 110 23.273 -4.514 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.274 -1.728 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.540 -2.530 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 110 20.742 -3.646 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.351 -2.882 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.662 -1.520 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.941 -2.082 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.386 -5.084 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.016 -4.371 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.450 -5.330 -2.675 1.00 0.00 H new ATOM 1672 N TYR A 111 25.384 -2.838 -0.835 1.00 0.00 N ATOM 1673 CA TYR A 111 26.647 -2.276 -0.372 1.00 0.00 C ATOM 1674 C TYR A 111 27.282 -1.400 -1.448 1.00 0.00 C ATOM 1675 O TYR A 111 27.429 -1.819 -2.596 1.00 0.00 O ATOM 1676 CB TYR A 111 27.612 -3.394 0.026 1.00 0.00 C ATOM 1677 CG TYR A 111 27.400 -3.905 1.433 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.222 -4.551 1.788 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.377 -3.743 2.407 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.024 -5.019 3.073 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.188 -4.209 3.694 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.010 -4.846 4.022 1.00 0.00 C ATOM 1683 OH TYR A 111 26.817 -5.312 5.302 1.00 0.00 O ATOM 0 H TYR A 111 25.407 -3.197 -1.789 1.00 0.00 H new ATOM 0 HA TYR A 111 26.440 -1.656 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.502 -4.223 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.635 -3.030 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.448 -4.690 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.301 -3.244 2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.102 -5.518 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 111 28.959 -4.075 4.439 1.00 0.00 H new ATOM 0 HH TYR A 111 27.607 -5.111 5.846 1.00 0.00 H new ATOM 1693 N GLU A 112 27.656 -0.183 -1.067 1.00 0.00 N ATOM 1694 CA GLU A 112 28.274 0.752 -1.999 1.00 0.00 C ATOM 1695 C GLU A 112 29.414 1.515 -1.330 1.00 0.00 C ATOM 1696 O GLU A 112 29.686 1.329 -0.144 1.00 0.00 O ATOM 1697 CB GLU A 112 27.233 1.737 -2.535 1.00 0.00 C ATOM 1698 CG GLU A 112 26.463 1.215 -3.737 1.00 0.00 C ATOM 1699 CD GLU A 112 27.357 0.521 -4.746 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.345 1.143 -5.189 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.069 -0.644 -5.092 1.00 0.00 O ATOM 0 H GLU A 112 27.542 0.178 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 112 28.683 0.178 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.528 1.977 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.732 2.666 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.696 0.519 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.949 2.044 -4.223 1.00 0.00 H new ATOM 1708 N SER A 113 30.076 2.373 -2.099 1.00 0.00 N ATOM 1709 CA SER A 113 31.189 3.161 -1.582 1.00 0.00 C ATOM 1710 C SER A 113 31.154 4.581 -2.138 1.00 0.00 C ATOM 1711 O SER A 113 30.813 4.796 -3.301 1.00 0.00 O ATOM 1712 CB SER A 113 32.520 2.496 -1.936 1.00 0.00 C ATOM 1713 OG SER A 113 32.807 2.631 -3.317 1.00 0.00 O ATOM 0 H SER A 113 29.861 2.540 -3.082 1.00 0.00 H new ATOM 0 HA SER A 113 31.093 3.211 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.322 2.945 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.484 1.439 -1.671 1.00 0.00 H new ATOM 0 HG SER A 113 33.664 2.199 -3.517 1.00 0.00 H new ATOM 1719 N ALA A 114 31.508 5.548 -1.298 1.00 0.00 N ATOM 1720 CA ALA A 114 31.520 6.948 -1.705 1.00 0.00 C ATOM 1721 C ALA A 114 32.459 7.767 -0.827 1.00 0.00 C ATOM 1722 O ALA A 114 32.255 7.881 0.381 1.00 0.00 O ATOM 1723 CB ALA A 114 30.112 7.523 -1.656 1.00 0.00 C ATOM 0 H ALA A 114 31.790 5.388 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 114 31.887 7.000 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.135 8.569 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.466 6.962 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.725 7.451 -0.640 1.00 0.00 H new ATOM 1729 N VAL A 115 33.491 8.336 -1.443 1.00 0.00 N ATOM 1730 CA VAL A 115 34.463 9.146 -0.717 1.00 0.00 C ATOM 1731 C VAL A 115 34.182 10.633 -0.896 1.00 0.00 C ATOM 1732 O VAL A 115 34.498 11.216 -1.934 1.00 0.00 O ATOM 1733 CB VAL A 115 35.901 8.846 -1.181 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.895 9.726 -0.438 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.228 7.374 -0.985 1.00 0.00 C ATOM 0 H VAL A 115 33.675 8.251 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 115 34.368 8.886 0.337 1.00 0.00 H new ATOM 0 HB VAL A 115 35.976 9.072 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.906 9.501 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.671 10.774 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.821 9.534 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.248 7.180 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.136 7.118 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.535 6.767 -1.567 1.00 0.00 H new ATOM 1745 N THR A 116 33.585 11.244 0.123 1.00 0.00 N ATOM 1746 CA THR A 116 33.260 12.664 0.078 1.00 0.00 C ATOM 1747 C THR A 116 34.442 13.483 -0.429 1.00 0.00 C ATOM 1748 O THR A 116 35.573 13.305 0.025 1.00 0.00 O ATOM 1749 CB THR A 116 32.845 13.189 1.465 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.921 13.023 2.395 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.611 12.458 1.973 1.00 0.00 C ATOM 0 H THR A 116 33.317 10.777 0.989 1.00 0.00 H new ATOM 0 HA THR A 116 32.422 12.775 -0.611 1.00 0.00 H new ATOM 0 HB THR A 116 32.608 14.249 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.576 13.090 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.337 12.846 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.785 12.612 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.826 11.392 2.051 1.00 0.00 H new ATOM 1759 N ARG A 117 34.173 14.381 -1.372 1.00 0.00 N ATOM 1760 CA ARG A 117 35.215 15.226 -1.941 1.00 0.00 C ATOM 1761 C ARG A 117 35.916 16.033 -0.851 1.00 0.00 C ATOM 1762 O ARG A 117 35.355 16.308 0.210 1.00 0.00 O ATOM 1763 CB ARG A 117 34.621 16.171 -2.987 1.00 0.00 C ATOM 1764 CG ARG A 117 34.578 15.580 -4.386 1.00 0.00 C ATOM 1765 CD ARG A 117 33.653 14.374 -4.454 1.00 0.00 C ATOM 1766 NE ARG A 117 34.337 13.139 -4.080 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.208 12.515 -4.864 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.501 13.008 -6.060 1.00 0.00 N ATOM 1769 NH2 ARG A 117 35.789 11.395 -4.453 1.00 0.00 N ATOM 0 H ARG A 117 33.242 14.541 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 117 35.950 14.580 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.610 16.444 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.206 17.090 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 117 34.241 16.339 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 117 35.583 15.286 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 117 32.802 14.532 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.257 14.277 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 117 34.134 12.734 -3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.057 13.869 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 117 36.171 12.526 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 117 35.567 11.013 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 117 36.458 10.916 -5.056 1.00 0.00 H new ATOM 1783 N PRO A 118 37.172 16.422 -1.117 1.00 0.00 N ATOM 1784 CA PRO A 118 37.976 17.202 -0.172 1.00 0.00 C ATOM 1785 C PRO A 118 37.463 18.630 -0.015 1.00 0.00 C ATOM 1786 O PRO A 118 37.550 19.437 -0.942 1.00 0.00 O ATOM 1787 CB PRO A 118 39.369 17.202 -0.807 1.00 0.00 C ATOM 1788 CG PRO A 118 39.122 17.005 -2.263 1.00 0.00 C ATOM 1789 CD PRO A 118 37.903 16.130 -2.362 1.00 0.00 C ATOM 0 HA PRO A 118 37.950 16.778 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.890 18.140 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 118 39.990 16.404 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.959 17.959 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.980 16.535 -2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.307 16.369 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.170 15.076 -2.434 1.00 0.00 H new