USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 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 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 157:sc= -0.0603 (180deg=-0.823) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.29) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.212 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.08 K(o=-2.1,f=-12!) USER MOD Single : A 53 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.054) USER MOD Single : A 54 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.025) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 68 SER OG : rot 28:sc= 0.0683 USER MOD Single : A 70 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.688 K(o=-0.69,f=-1.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.89) USER MOD Single : A 80 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.55) 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= -3.81! C(o=-3.8!,f=-2.5!) USER MOD Single : A 91 SER OG : rot -62:sc= 0.261 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 97 THR OG1 : rot -54:sc= 0.481 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -3.77! C(o=-3.8!,f=-18!) USER MOD Single : A 103 ASN : amide:sc= -4.85! C(o=-4.9!,f=-13!) 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 -119:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.210 -8.734 -4.950 1.00 0.00 N ATOM 287 CA ASP A 23 1.761 -9.726 -4.034 1.00 0.00 C ATOM 288 C ASP A 23 2.265 -9.065 -2.755 1.00 0.00 C ATOM 289 O ASP A 23 3.209 -8.276 -2.784 1.00 0.00 O ATOM 290 CB ASP A 23 2.898 -10.497 -4.706 1.00 0.00 C ATOM 291 CG ASP A 23 2.428 -11.289 -5.910 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.722 -12.300 -5.715 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.767 -10.899 -7.047 1.00 0.00 O ATOM 0 HA ASP A 23 0.965 -10.423 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.674 -9.797 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.350 -11.175 -3.983 1.00 0.00 H new ATOM 298 N GLU A 24 1.627 -9.390 -1.635 1.00 0.00 N ATOM 299 CA GLU A 24 2.010 -8.826 -0.346 1.00 0.00 C ATOM 300 C GLU A 24 2.194 -9.924 0.696 1.00 0.00 C ATOM 301 O GLU A 24 1.857 -9.748 1.868 1.00 0.00 O ATOM 302 CB GLU A 24 0.955 -7.825 0.131 1.00 0.00 C ATOM 303 CG GLU A 24 1.475 -6.840 1.165 1.00 0.00 C ATOM 304 CD GLU A 24 0.360 -6.089 1.866 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.069 -5.040 1.342 1.00 0.00 O ATOM 306 OE2 GLU A 24 -0.084 -6.549 2.939 1.00 0.00 O ATOM 0 H GLU A 24 0.843 -10.041 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 24 2.961 -8.308 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.577 -7.271 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.112 -8.372 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.069 -7.376 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.140 -6.126 0.679 1.00 0.00 H new ATOM 313 N THR A 25 2.731 -11.060 0.262 1.00 0.00 N ATOM 314 CA THR A 25 2.959 -12.189 1.156 1.00 0.00 C ATOM 315 C THR A 25 4.446 -12.386 1.425 1.00 0.00 C ATOM 316 O THR A 25 4.831 -12.989 2.427 1.00 0.00 O ATOM 317 CB THR A 25 2.376 -13.491 0.576 1.00 0.00 C ATOM 318 OG1 THR A 25 2.837 -13.679 -0.767 1.00 0.00 O ATOM 319 CG2 THR A 25 0.855 -13.460 0.595 1.00 0.00 C ATOM 0 H THR A 25 3.016 -11.223 -0.704 1.00 0.00 H new ATOM 0 HA THR A 25 2.451 -11.958 2.093 1.00 0.00 H new ATOM 0 HB THR A 25 2.714 -14.321 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.463 -14.510 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.467 -14.390 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.506 -13.347 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.501 -12.621 -0.003 1.00 0.00 H new ATOM 327 N ARG A 26 5.278 -11.874 0.524 1.00 0.00 N ATOM 328 CA ARG A 26 6.725 -11.995 0.665 1.00 0.00 C ATOM 329 C ARG A 26 7.382 -10.620 0.725 1.00 0.00 C ATOM 330 O ARG A 26 6.778 -9.614 0.351 1.00 0.00 O ATOM 331 CB ARG A 26 7.306 -12.800 -0.500 1.00 0.00 C ATOM 332 CG ARG A 26 7.226 -12.081 -1.837 1.00 0.00 C ATOM 333 CD ARG A 26 7.251 -13.061 -2.999 1.00 0.00 C ATOM 334 NE ARG A 26 5.981 -13.765 -3.149 1.00 0.00 N ATOM 335 CZ ARG A 26 5.735 -14.640 -4.119 1.00 0.00 C ATOM 336 NH1 ARG A 26 6.669 -14.916 -5.019 1.00 0.00 N ATOM 337 NH2 ARG A 26 4.554 -15.240 -4.189 1.00 0.00 N ATOM 0 H ARG A 26 4.976 -11.372 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 26 6.932 -12.518 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.349 -13.034 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.775 -13.749 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.312 -11.489 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.061 -11.386 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.479 -12.525 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.051 -13.785 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 26 5.242 -13.575 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.578 -14.457 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.478 -15.588 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.834 -15.030 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.366 -15.911 -4.934 1.00 0.00 H new ATOM 351 N VAL A 27 8.623 -10.583 1.198 1.00 0.00 N ATOM 352 CA VAL A 27 9.363 -9.331 1.307 1.00 0.00 C ATOM 353 C VAL A 27 9.979 -8.938 -0.031 1.00 0.00 C ATOM 354 O VAL A 27 10.310 -9.784 -0.862 1.00 0.00 O ATOM 355 CB VAL A 27 10.480 -9.429 2.364 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.896 -9.767 3.728 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.517 -10.461 1.948 1.00 0.00 C ATOM 0 H VAL A 27 9.138 -11.406 1.512 1.00 0.00 H new ATOM 0 HA VAL A 27 8.648 -8.567 1.613 1.00 0.00 H new ATOM 0 HB VAL A 27 10.974 -8.460 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.699 -9.832 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.194 -8.988 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.375 -10.723 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.299 -10.517 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.040 -11.436 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.957 -10.171 0.994 1.00 0.00 H new ATOM 367 N PRO A 28 10.137 -7.624 -0.246 1.00 0.00 N ATOM 368 CA PRO A 28 10.715 -7.088 -1.483 1.00 0.00 C ATOM 369 C PRO A 28 12.205 -7.387 -1.603 1.00 0.00 C ATOM 370 O PRO A 28 13.030 -6.744 -0.955 1.00 0.00 O ATOM 371 CB PRO A 28 10.480 -5.581 -1.360 1.00 0.00 C ATOM 372 CG PRO A 28 10.392 -5.329 0.106 1.00 0.00 C ATOM 373 CD PRO A 28 9.765 -6.560 0.700 1.00 0.00 C ATOM 0 HA PRO A 28 10.264 -7.532 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.295 -5.015 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.564 -5.280 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.379 -5.150 0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.790 -4.445 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.146 -6.762 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.683 -6.458 0.785 1.00 0.00 H new ATOM 381 N GLU A 29 12.542 -8.366 -2.436 1.00 0.00 N ATOM 382 CA GLU A 29 13.935 -8.749 -2.640 1.00 0.00 C ATOM 383 C GLU A 29 14.778 -7.542 -3.038 1.00 0.00 C ATOM 384 O GLU A 29 14.248 -6.502 -3.429 1.00 0.00 O ATOM 385 CB GLU A 29 14.036 -9.834 -3.715 1.00 0.00 C ATOM 386 CG GLU A 29 13.574 -11.202 -3.245 1.00 0.00 C ATOM 387 CD GLU A 29 14.640 -11.940 -2.459 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.816 -11.904 -2.878 1.00 0.00 O ATOM 389 OE2 GLU A 29 14.300 -12.554 -1.426 1.00 0.00 O ATOM 0 H GLU A 29 11.871 -8.908 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 29 14.319 -9.143 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.440 -9.535 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.070 -9.905 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.685 -11.088 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.285 -11.800 -4.109 1.00 0.00 H new ATOM 396 N VAL A 30 16.096 -7.688 -2.937 1.00 0.00 N ATOM 397 CA VAL A 30 17.014 -6.611 -3.286 1.00 0.00 C ATOM 398 C VAL A 30 16.525 -5.849 -4.512 1.00 0.00 C ATOM 399 O VAL A 30 16.040 -6.430 -5.483 1.00 0.00 O ATOM 400 CB VAL A 30 18.431 -7.149 -3.561 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.392 -8.243 -4.617 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.356 -6.018 -3.986 1.00 0.00 C ATOM 0 H VAL A 30 16.551 -8.542 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 30 17.049 -5.935 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 30 18.822 -7.581 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.402 -8.610 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.764 -9.063 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.981 -7.840 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.353 -6.415 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.971 -5.555 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.408 -5.273 -3.192 1.00 0.00 H new ATOM 412 N PRO A 31 16.655 -4.514 -4.470 1.00 0.00 N ATOM 413 CA PRO A 31 16.233 -3.643 -5.571 1.00 0.00 C ATOM 414 C PRO A 31 17.124 -3.789 -6.800 1.00 0.00 C ATOM 415 O PRO A 31 18.212 -4.359 -6.726 1.00 0.00 O ATOM 416 CB PRO A 31 16.365 -2.237 -4.980 1.00 0.00 C ATOM 417 CG PRO A 31 17.392 -2.370 -3.909 1.00 0.00 C ATOM 418 CD PRO A 31 17.225 -3.754 -3.345 1.00 0.00 C ATOM 0 HA PRO A 31 15.228 -3.883 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.674 -1.517 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.415 -1.887 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.396 -2.231 -4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.251 -1.614 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.177 -4.173 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.562 -3.758 -2.480 1.00 0.00 H new ATOM 426 N SER A 32 16.654 -3.271 -7.930 1.00 0.00 N ATOM 427 CA SER A 32 17.407 -3.347 -9.177 1.00 0.00 C ATOM 428 C SER A 32 18.869 -2.976 -8.952 1.00 0.00 C ATOM 429 O SER A 32 19.775 -3.702 -9.361 1.00 0.00 O ATOM 430 CB SER A 32 16.789 -2.421 -10.227 1.00 0.00 C ATOM 431 OG SER A 32 17.690 -2.192 -11.297 1.00 0.00 O ATOM 0 H SER A 32 15.756 -2.794 -8.008 1.00 0.00 H new ATOM 0 HA SER A 32 17.363 -4.375 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.869 -2.863 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.519 -1.471 -9.765 1.00 0.00 H new ATOM 0 HG SER A 32 17.272 -1.599 -11.956 1.00 0.00 H new ATOM 437 N SER A 33 19.091 -1.840 -8.299 1.00 0.00 N ATOM 438 CA SER A 33 20.443 -1.369 -8.022 1.00 0.00 C ATOM 439 C SER A 33 20.417 -0.144 -7.113 1.00 0.00 C ATOM 440 O SER A 33 19.357 0.272 -6.643 1.00 0.00 O ATOM 441 CB SER A 33 21.166 -1.032 -9.328 1.00 0.00 C ATOM 442 OG SER A 33 20.613 0.122 -9.935 1.00 0.00 O ATOM 0 H SER A 33 18.352 -1.229 -7.952 1.00 0.00 H new ATOM 0 HA SER A 33 20.981 -2.168 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.225 -0.870 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.096 -1.876 -10.014 1.00 0.00 H new ATOM 0 HG SER A 33 21.094 0.316 -10.767 1.00 0.00 H new ATOM 448 N LEU A 34 21.590 0.429 -6.868 1.00 0.00 N ATOM 449 CA LEU A 34 21.703 1.607 -6.015 1.00 0.00 C ATOM 450 C LEU A 34 22.952 2.411 -6.360 1.00 0.00 C ATOM 451 O LEU A 34 24.075 1.929 -6.210 1.00 0.00 O ATOM 452 CB LEU A 34 21.740 1.193 -4.543 1.00 0.00 C ATOM 453 CG LEU A 34 22.406 2.180 -3.584 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.459 3.323 -3.252 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.855 1.471 -2.315 1.00 0.00 C ATOM 0 H LEU A 34 22.476 0.097 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 34 20.829 2.236 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.716 1.026 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.260 0.238 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 34 23.286 2.595 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.950 4.015 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.188 3.848 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.560 2.925 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.327 2.189 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.991 1.027 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.570 0.688 -2.569 1.00 0.00 H new ATOM 467 N HIS A 35 22.749 3.641 -6.822 1.00 0.00 N ATOM 468 CA HIS A 35 23.859 4.515 -7.186 1.00 0.00 C ATOM 469 C HIS A 35 24.139 5.527 -6.079 1.00 0.00 C ATOM 470 O HIS A 35 23.236 5.924 -5.343 1.00 0.00 O ATOM 471 CB HIS A 35 23.554 5.244 -8.494 1.00 0.00 C ATOM 472 CG HIS A 35 24.405 6.456 -8.717 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.905 7.741 -8.700 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.731 6.573 -8.963 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.886 8.596 -8.926 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.005 7.913 -9.088 1.00 0.00 N ATOM 0 H HIS A 35 21.826 4.055 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 35 24.746 3.897 -7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.694 4.554 -9.326 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.505 5.541 -8.499 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.441 5.763 -9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.790 9.671 -8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 35 26.923 8.315 -9.275 1.00 0.00 H new ATOM 485 N VAL A 36 25.398 5.940 -5.966 1.00 0.00 N ATOM 486 CA VAL A 36 25.797 6.906 -4.950 1.00 0.00 C ATOM 487 C VAL A 36 26.718 7.970 -5.535 1.00 0.00 C ATOM 488 O VAL A 36 27.591 7.671 -6.349 1.00 0.00 O ATOM 489 CB VAL A 36 26.511 6.217 -3.771 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.526 5.387 -2.962 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.660 5.356 -4.274 1.00 0.00 C ATOM 0 H VAL A 36 26.159 5.620 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 36 24.885 7.379 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 36 26.923 6.986 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.048 4.908 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.741 6.034 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.082 4.624 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.153 4.877 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.274 4.592 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.377 5.981 -4.806 1.00 0.00 H new ATOM 501 N ARG A 37 26.517 9.215 -5.114 1.00 0.00 N ATOM 502 CA ARG A 37 27.329 10.325 -5.597 1.00 0.00 C ATOM 503 C ARG A 37 27.937 11.101 -4.433 1.00 0.00 C ATOM 504 O ARG A 37 27.251 11.829 -3.714 1.00 0.00 O ATOM 505 CB ARG A 37 26.486 11.262 -6.464 1.00 0.00 C ATOM 506 CG ARG A 37 27.122 12.625 -6.684 1.00 0.00 C ATOM 507 CD ARG A 37 28.228 12.562 -7.726 1.00 0.00 C ATOM 508 NE ARG A 37 27.734 12.101 -9.021 1.00 0.00 N ATOM 509 CZ ARG A 37 28.400 12.257 -10.160 1.00 0.00 C ATOM 510 NH1 ARG A 37 29.582 12.859 -10.163 1.00 0.00 N ATOM 511 NH2 ARG A 37 27.885 11.811 -11.298 1.00 0.00 N ATOM 0 H ARG A 37 25.799 9.480 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 37 28.139 9.914 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.313 10.791 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.511 11.397 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 37 26.360 13.336 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.528 12.994 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 37 28.676 13.549 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 29.015 11.893 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 37 26.828 11.634 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 37 29.981 13.203 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 37 30.092 12.978 -11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.976 11.348 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 37 28.398 11.932 -12.172 1.00 0.00 H new ATOM 525 N PRO A 38 29.255 10.944 -4.240 1.00 0.00 N ATOM 526 CA PRO A 38 29.984 11.621 -3.164 1.00 0.00 C ATOM 527 C PRO A 38 30.099 13.124 -3.398 1.00 0.00 C ATOM 528 O PRO A 38 30.540 13.565 -4.460 1.00 0.00 O ATOM 529 CB PRO A 38 31.367 10.967 -3.206 1.00 0.00 C ATOM 530 CG PRO A 38 31.515 10.483 -4.607 1.00 0.00 C ATOM 531 CD PRO A 38 30.135 10.092 -5.058 1.00 0.00 C ATOM 0 HA PRO A 38 29.479 11.520 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.150 11.680 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.438 10.145 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.929 11.262 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.197 9.634 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.994 10.274 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.941 9.033 -4.887 1.00 0.00 H new ATOM 539 N LEU A 39 29.700 13.905 -2.400 1.00 0.00 N ATOM 540 CA LEU A 39 29.758 15.360 -2.498 1.00 0.00 C ATOM 541 C LEU A 39 30.586 15.948 -1.360 1.00 0.00 C ATOM 542 O LEU A 39 30.716 15.344 -0.295 1.00 0.00 O ATOM 543 CB LEU A 39 28.347 15.949 -2.474 1.00 0.00 C ATOM 544 CG LEU A 39 27.656 16.090 -3.831 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.965 14.791 -4.216 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.658 17.239 -3.804 1.00 0.00 C ATOM 0 H LEU A 39 29.333 13.556 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 39 30.236 15.618 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.724 15.323 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.394 16.933 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 39 28.414 16.311 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.479 14.911 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.702 13.991 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.218 14.540 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.176 17.325 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.904 17.048 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.179 18.168 -3.574 1.00 0.00 H new ATOM 558 N VAL A 40 31.144 17.132 -1.593 1.00 0.00 N ATOM 559 CA VAL A 40 31.957 17.805 -0.586 1.00 0.00 C ATOM 560 C VAL A 40 31.504 17.437 0.822 1.00 0.00 C ATOM 561 O VAL A 40 32.156 16.652 1.511 1.00 0.00 O ATOM 562 CB VAL A 40 31.899 19.336 -0.749 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.673 20.021 0.366 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.435 19.747 -2.112 1.00 0.00 C ATOM 0 H VAL A 40 31.048 17.645 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 40 32.984 17.470 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 40 30.858 19.652 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.621 21.102 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.239 19.751 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.715 19.702 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.387 20.832 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.470 19.420 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.833 19.285 -2.894 1.00 0.00 H new ATOM 574 N THR A 41 30.382 18.010 1.245 1.00 0.00 N ATOM 575 CA THR A 41 29.841 17.743 2.572 1.00 0.00 C ATOM 576 C THR A 41 28.476 17.069 2.484 1.00 0.00 C ATOM 577 O THR A 41 27.653 17.193 3.392 1.00 0.00 O ATOM 578 CB THR A 41 29.710 19.038 3.396 1.00 0.00 C ATOM 579 OG1 THR A 41 29.125 20.071 2.595 1.00 0.00 O ATOM 580 CG2 THR A 41 31.068 19.494 3.908 1.00 0.00 C ATOM 0 H THR A 41 29.830 18.662 0.688 1.00 0.00 H new ATOM 0 HA THR A 41 30.542 17.073 3.070 1.00 0.00 H new ATOM 0 HB THR A 41 29.067 18.834 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.043 20.890 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.950 20.410 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.498 18.718 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.731 19.682 3.063 1.00 0.00 H new ATOM 588 N SER A 42 28.243 16.357 1.387 1.00 0.00 N ATOM 589 CA SER A 42 26.976 15.665 1.180 1.00 0.00 C ATOM 590 C SER A 42 27.166 14.435 0.298 1.00 0.00 C ATOM 591 O SER A 42 28.283 14.119 -0.112 1.00 0.00 O ATOM 592 CB SER A 42 25.953 16.610 0.544 1.00 0.00 C ATOM 593 OG SER A 42 26.542 17.375 -0.493 1.00 0.00 O ATOM 0 H SER A 42 28.915 16.244 0.628 1.00 0.00 H new ATOM 0 HA SER A 42 26.605 15.339 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.119 16.033 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.546 17.276 1.305 1.00 0.00 H new ATOM 0 HG SER A 42 25.868 17.969 -0.884 1.00 0.00 H new ATOM 599 N ILE A 43 26.067 13.746 0.010 1.00 0.00 N ATOM 600 CA ILE A 43 26.112 12.551 -0.824 1.00 0.00 C ATOM 601 C ILE A 43 24.734 12.225 -1.390 1.00 0.00 C ATOM 602 O ILE A 43 23.838 11.794 -0.664 1.00 0.00 O ATOM 603 CB ILE A 43 26.633 11.335 -0.037 1.00 0.00 C ATOM 604 CG1 ILE A 43 28.020 11.627 0.537 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.672 10.104 -0.930 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.650 10.440 1.231 1.00 0.00 C ATOM 0 H ILE A 43 25.135 13.994 0.342 1.00 0.00 H new ATOM 0 HA ILE A 43 26.798 12.763 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 43 25.952 11.138 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.676 11.956 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.945 12.453 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 43 27.043 9.252 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.668 9.887 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.333 10.289 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.632 10.721 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 43 28.015 10.124 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.758 9.619 0.522 1.00 0.00 H new ATOM 618 N VAL A 44 24.572 12.430 -2.694 1.00 0.00 N ATOM 619 CA VAL A 44 23.304 12.154 -3.359 1.00 0.00 C ATOM 620 C VAL A 44 23.097 10.655 -3.547 1.00 0.00 C ATOM 621 O VAL A 44 23.520 10.080 -4.550 1.00 0.00 O ATOM 622 CB VAL A 44 23.229 12.848 -4.732 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.793 12.887 -5.233 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.813 14.250 -4.653 1.00 0.00 C ATOM 0 H VAL A 44 25.303 12.786 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 44 22.516 12.548 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 44 23.821 12.272 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.760 13.381 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.414 11.870 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.175 13.438 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.752 14.725 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 44 23.250 14.838 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.856 14.193 -4.342 1.00 0.00 H new ATOM 634 N VAL A 45 22.442 10.028 -2.575 1.00 0.00 N ATOM 635 CA VAL A 45 22.176 8.596 -2.634 1.00 0.00 C ATOM 636 C VAL A 45 20.942 8.300 -3.480 1.00 0.00 C ATOM 637 O VAL A 45 19.811 8.442 -3.017 1.00 0.00 O ATOM 638 CB VAL A 45 21.973 8.004 -1.226 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.582 6.537 -1.314 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.232 8.179 -0.389 1.00 0.00 C ATOM 0 H VAL A 45 22.086 10.489 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 45 23.048 8.131 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 45 21.161 8.543 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.443 6.137 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.652 6.441 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.370 5.980 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.072 7.755 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 45 24.064 7.667 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.463 9.240 -0.297 1.00 0.00 H new ATOM 650 N SER A 46 21.169 7.887 -4.722 1.00 0.00 N ATOM 651 CA SER A 46 20.076 7.573 -5.635 1.00 0.00 C ATOM 652 C SER A 46 19.920 6.064 -5.799 1.00 0.00 C ATOM 653 O SER A 46 20.903 5.344 -5.973 1.00 0.00 O ATOM 654 CB SER A 46 20.320 8.223 -6.999 1.00 0.00 C ATOM 655 OG SER A 46 20.943 9.488 -6.857 1.00 0.00 O ATOM 0 H SER A 46 22.100 7.762 -5.120 1.00 0.00 H new ATOM 0 HA SER A 46 19.155 7.971 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.947 7.572 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 46 19.372 8.338 -7.525 1.00 0.00 H new ATOM 0 HG SER A 46 21.090 9.882 -7.742 1.00 0.00 H new ATOM 661 N TRP A 47 18.679 5.595 -5.741 1.00 0.00 N ATOM 662 CA TRP A 47 18.394 4.171 -5.883 1.00 0.00 C ATOM 663 C TRP A 47 17.303 3.936 -6.922 1.00 0.00 C ATOM 664 O TRP A 47 16.844 4.871 -7.578 1.00 0.00 O ATOM 665 CB TRP A 47 17.971 3.579 -4.537 1.00 0.00 C ATOM 666 CG TRP A 47 16.750 4.229 -3.959 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.451 3.870 -4.174 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.717 5.354 -3.073 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.611 4.703 -3.475 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.363 5.621 -2.791 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.698 6.159 -2.490 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.969 6.660 -1.952 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.306 7.190 -1.657 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.951 7.433 -1.394 1.00 0.00 C ATOM 0 H TRP A 47 17.855 6.178 -5.597 1.00 0.00 H new ATOM 0 HA TRP A 47 19.304 3.674 -6.221 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.782 2.513 -4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.795 3.677 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.130 3.051 -4.801 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.593 4.647 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.745 5.979 -2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.925 6.849 -1.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.056 7.819 -1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.676 8.246 -0.738 1.00 0.00 H new ATOM 685 N THR A 48 16.891 2.680 -7.067 1.00 0.00 N ATOM 686 CA THR A 48 15.855 2.322 -8.027 1.00 0.00 C ATOM 687 C THR A 48 14.937 1.241 -7.467 1.00 0.00 C ATOM 688 O THR A 48 15.317 0.462 -6.593 1.00 0.00 O ATOM 689 CB THR A 48 16.464 1.827 -9.352 1.00 0.00 C ATOM 690 OG1 THR A 48 17.510 0.885 -9.089 1.00 0.00 O ATOM 691 CG2 THR A 48 17.014 2.991 -10.163 1.00 0.00 C ATOM 0 H THR A 48 17.259 1.894 -6.531 1.00 0.00 H new ATOM 0 HA THR A 48 15.275 3.225 -8.218 1.00 0.00 H new ATOM 0 HB THR A 48 15.677 1.343 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.891 0.574 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.439 2.617 -11.094 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.209 3.691 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.789 3.500 -9.590 1.00 0.00 H new ATOM 699 N PRO A 49 13.699 1.189 -7.982 1.00 0.00 N ATOM 700 CA PRO A 49 12.702 0.206 -7.549 1.00 0.00 C ATOM 701 C PRO A 49 13.052 -1.210 -7.994 1.00 0.00 C ATOM 702 O PRO A 49 13.855 -1.419 -8.904 1.00 0.00 O ATOM 703 CB PRO A 49 11.417 0.680 -8.233 1.00 0.00 C ATOM 704 CG PRO A 49 11.881 1.440 -9.427 1.00 0.00 C ATOM 705 CD PRO A 49 13.179 2.087 -9.027 1.00 0.00 C ATOM 0 HA PRO A 49 12.628 0.152 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.788 -0.162 -8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.824 1.309 -7.569 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.022 0.777 -10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.146 2.189 -9.723 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.866 2.164 -9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.025 3.097 -8.648 1.00 0.00 H new ATOM 713 N PRO A 50 12.437 -2.206 -7.340 1.00 0.00 N ATOM 714 CA PRO A 50 12.667 -3.619 -7.653 1.00 0.00 C ATOM 715 C PRO A 50 12.085 -4.016 -9.005 1.00 0.00 C ATOM 716 O PRO A 50 10.906 -3.786 -9.274 1.00 0.00 O ATOM 717 CB PRO A 50 11.944 -4.355 -6.522 1.00 0.00 C ATOM 718 CG PRO A 50 10.891 -3.406 -6.065 1.00 0.00 C ATOM 719 CD PRO A 50 11.468 -2.029 -6.245 1.00 0.00 C ATOM 0 HA PRO A 50 13.729 -3.853 -7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.508 -5.290 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.629 -4.607 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.978 -3.526 -6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.629 -3.586 -5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.699 -1.301 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.951 -1.673 -5.335 1.00 0.00 H new ATOM 727 N GLU A 51 12.919 -4.613 -9.851 1.00 0.00 N ATOM 728 CA GLU A 51 12.485 -5.041 -11.176 1.00 0.00 C ATOM 729 C GLU A 51 11.041 -5.536 -11.142 1.00 0.00 C ATOM 730 O GLU A 51 10.243 -5.212 -12.020 1.00 0.00 O ATOM 731 CB GLU A 51 13.401 -6.146 -11.705 1.00 0.00 C ATOM 732 CG GLU A 51 13.592 -6.110 -13.212 1.00 0.00 C ATOM 733 CD GLU A 51 13.790 -7.489 -13.808 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.652 -8.237 -13.302 1.00 0.00 O ATOM 735 OE2 GLU A 51 13.082 -7.821 -14.782 1.00 0.00 O ATOM 0 H GLU A 51 13.898 -4.811 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 51 12.541 -4.181 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.374 -6.061 -11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.988 -7.114 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.723 -5.640 -13.673 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.455 -5.488 -13.450 1.00 0.00 H new ATOM 742 N ASN A 52 10.715 -6.323 -10.122 1.00 0.00 N ATOM 743 CA ASN A 52 9.369 -6.864 -9.974 1.00 0.00 C ATOM 744 C ASN A 52 8.454 -5.861 -9.276 1.00 0.00 C ATOM 745 O ASN A 52 8.681 -5.498 -8.122 1.00 0.00 O ATOM 746 CB ASN A 52 9.407 -8.173 -9.183 1.00 0.00 C ATOM 747 CG ASN A 52 8.063 -8.876 -9.163 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.021 -8.242 -8.996 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.082 -10.192 -9.335 1.00 0.00 N ATOM 0 H ASN A 52 11.364 -6.600 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 52 8.971 -7.061 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.154 -8.836 -9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.721 -7.967 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.209 -10.719 -9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.970 -10.676 -9.470 1.00 0.00 H new ATOM 756 N GLN A 53 7.420 -5.419 -9.985 1.00 0.00 N ATOM 757 CA GLN A 53 6.471 -4.459 -9.434 1.00 0.00 C ATOM 758 C GLN A 53 5.406 -5.164 -8.600 1.00 0.00 C ATOM 759 O GLN A 53 5.011 -4.678 -7.541 1.00 0.00 O ATOM 760 CB GLN A 53 5.810 -3.661 -10.558 1.00 0.00 C ATOM 761 CG GLN A 53 6.675 -2.531 -11.093 1.00 0.00 C ATOM 762 CD GLN A 53 6.731 -1.344 -10.152 1.00 0.00 C ATOM 763 OE1 GLN A 53 5.936 -0.410 -10.264 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.674 -1.373 -9.217 1.00 0.00 N ATOM 0 H GLN A 53 7.218 -5.710 -10.942 1.00 0.00 H new ATOM 0 HA GLN A 53 7.019 -3.775 -8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.564 -4.338 -11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.870 -3.246 -10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.685 -2.902 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.286 -2.207 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.312 -2.167 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.760 -0.601 -8.556 1.00 0.00 H new ATOM 773 N ASN A 54 4.946 -6.312 -9.085 1.00 0.00 N ATOM 774 CA ASN A 54 3.925 -7.083 -8.384 1.00 0.00 C ATOM 775 C ASN A 54 4.127 -7.007 -6.874 1.00 0.00 C ATOM 776 O ASN A 54 3.165 -6.881 -6.115 1.00 0.00 O ATOM 777 CB ASN A 54 3.957 -8.543 -8.841 1.00 0.00 C ATOM 778 CG ASN A 54 3.586 -8.700 -10.303 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.424 -9.051 -11.133 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.324 -8.440 -10.624 1.00 0.00 N ATOM 0 H ASN A 54 5.263 -6.729 -9.960 1.00 0.00 H new ATOM 0 HA ASN A 54 2.952 -6.654 -8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.954 -8.950 -8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.269 -9.127 -8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.015 -8.529 -11.592 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.663 -8.152 -9.902 1.00 0.00 H new ATOM 787 N ILE A 55 5.382 -7.082 -6.446 1.00 0.00 N ATOM 788 CA ILE A 55 5.710 -7.019 -5.027 1.00 0.00 C ATOM 789 C ILE A 55 5.379 -5.648 -4.446 1.00 0.00 C ATOM 790 O ILE A 55 5.738 -4.617 -5.017 1.00 0.00 O ATOM 791 CB ILE A 55 7.199 -7.324 -4.778 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.557 -8.706 -5.328 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.516 -7.240 -3.293 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.042 -8.992 -5.323 1.00 0.00 C ATOM 0 H ILE A 55 6.189 -7.186 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 55 5.105 -7.777 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 55 7.800 -6.579 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.047 -9.467 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.182 -8.790 -6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.572 -7.458 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.294 -6.237 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.910 -7.965 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.222 -9.989 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.557 -8.254 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.419 -8.940 -4.302 1.00 0.00 H new ATOM 806 N VAL A 56 4.694 -5.642 -3.307 1.00 0.00 N ATOM 807 CA VAL A 56 4.318 -4.398 -2.647 1.00 0.00 C ATOM 808 C VAL A 56 5.502 -3.790 -1.904 1.00 0.00 C ATOM 809 O VAL A 56 6.199 -4.477 -1.157 1.00 0.00 O ATOM 810 CB VAL A 56 3.160 -4.617 -1.655 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.851 -3.331 -0.904 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.926 -5.131 -2.381 1.00 0.00 C ATOM 0 H VAL A 56 4.388 -6.486 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 56 3.992 -3.711 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 56 3.464 -5.370 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.030 -3.504 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.734 -3.011 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.566 -2.554 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.118 -5.280 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.616 -4.404 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.158 -6.078 -2.868 1.00 0.00 H new ATOM 822 N VAL A 57 5.724 -2.496 -2.114 1.00 0.00 N ATOM 823 CA VAL A 57 6.824 -1.794 -1.463 1.00 0.00 C ATOM 824 C VAL A 57 6.321 -0.573 -0.701 1.00 0.00 C ATOM 825 O VAL A 57 5.795 0.369 -1.294 1.00 0.00 O ATOM 826 CB VAL A 57 7.887 -1.347 -2.484 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.001 -0.577 -1.792 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.443 -2.547 -3.234 1.00 0.00 C ATOM 0 H VAL A 57 5.157 -1.913 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 57 7.277 -2.495 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 57 7.414 -0.683 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.743 -0.269 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.585 0.305 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.474 -1.214 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.193 -2.212 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.901 -3.238 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.635 -3.052 -3.763 1.00 0.00 H new ATOM 838 N ARG A 58 6.487 -0.596 0.618 1.00 0.00 N ATOM 839 CA ARG A 58 6.049 0.509 1.462 1.00 0.00 C ATOM 840 C ARG A 58 7.090 1.625 1.480 1.00 0.00 C ATOM 841 O ARG A 58 6.748 2.805 1.531 1.00 0.00 O ATOM 842 CB ARG A 58 5.788 0.018 2.887 1.00 0.00 C ATOM 843 CG ARG A 58 4.431 -0.644 3.064 1.00 0.00 C ATOM 844 CD ARG A 58 3.317 0.386 3.159 1.00 0.00 C ATOM 845 NE ARG A 58 2.205 -0.085 3.980 1.00 0.00 N ATOM 846 CZ ARG A 58 2.181 0.003 5.306 1.00 0.00 C ATOM 847 NH1 ARG A 58 3.203 0.542 5.956 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.133 -0.448 5.983 1.00 0.00 N ATOM 0 H ARG A 58 6.921 -1.367 1.125 1.00 0.00 H new ATOM 0 HA ARG A 58 5.123 0.906 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.568 -0.690 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.863 0.862 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.239 -1.313 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.439 -1.257 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.713 1.310 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.955 0.621 2.158 1.00 0.00 H new ATOM 0 HE ARG A 58 1.403 -0.505 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.010 0.890 5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.182 0.608 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.345 -0.863 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.116 -0.380 7.001 1.00 0.00 H new ATOM 862 N GLY A 59 8.362 1.241 1.437 1.00 0.00 N ATOM 863 CA GLY A 59 9.433 2.220 1.450 1.00 0.00 C ATOM 864 C GLY A 59 10.806 1.578 1.460 1.00 0.00 C ATOM 865 O GLY A 59 10.927 0.355 1.387 1.00 0.00 O ATOM 0 H GLY A 59 8.670 0.270 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.343 2.864 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.327 2.858 2.328 1.00 0.00 H new ATOM 869 N TYR A 60 11.843 2.403 1.550 1.00 0.00 N ATOM 870 CA TYR A 60 13.215 1.909 1.565 1.00 0.00 C ATOM 871 C TYR A 60 14.016 2.560 2.688 1.00 0.00 C ATOM 872 O TYR A 60 13.857 3.747 2.971 1.00 0.00 O ATOM 873 CB TYR A 60 13.890 2.177 0.219 1.00 0.00 C ATOM 874 CG TYR A 60 12.996 1.913 -0.971 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.152 2.901 -1.464 1.00 0.00 C ATOM 876 CD2 TYR A 60 12.995 0.676 -1.603 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.333 2.664 -2.550 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.180 0.430 -2.691 1.00 0.00 C ATOM 879 CZ TYR A 60 11.350 1.427 -3.161 1.00 0.00 C ATOM 880 OH TYR A 60 10.536 1.188 -4.244 1.00 0.00 O ATOM 0 H TYR A 60 11.760 3.418 1.614 1.00 0.00 H new ATOM 0 HA TYR A 60 13.186 0.834 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.223 3.215 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.781 1.554 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.136 3.871 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.643 -0.107 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.682 3.443 -2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.192 -0.537 -3.171 1.00 0.00 H new ATOM 0 HH TYR A 60 10.669 0.269 -4.557 1.00 0.00 H new ATOM 890 N ALA A 61 14.879 1.774 3.323 1.00 0.00 N ATOM 891 CA ALA A 61 15.708 2.273 4.413 1.00 0.00 C ATOM 892 C ALA A 61 17.157 2.439 3.969 1.00 0.00 C ATOM 893 O ALA A 61 17.751 1.521 3.402 1.00 0.00 O ATOM 894 CB ALA A 61 15.625 1.338 5.610 1.00 0.00 C ATOM 0 H ALA A 61 15.022 0.789 3.101 1.00 0.00 H new ATOM 0 HA ALA A 61 15.330 3.253 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.249 1.723 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.591 1.273 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.975 0.347 5.322 1.00 0.00 H new ATOM 900 N ILE A 62 17.720 3.614 4.228 1.00 0.00 N ATOM 901 CA ILE A 62 19.100 3.899 3.855 1.00 0.00 C ATOM 902 C ILE A 62 20.018 3.859 5.072 1.00 0.00 C ATOM 903 O ILE A 62 19.607 4.188 6.184 1.00 0.00 O ATOM 904 CB ILE A 62 19.226 5.276 3.176 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.309 5.352 1.954 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.671 5.539 2.777 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.857 6.757 1.624 1.00 0.00 C ATOM 0 H ILE A 62 17.242 4.384 4.695 1.00 0.00 H new ATOM 0 HA ILE A 62 19.403 3.125 3.149 1.00 0.00 H new ATOM 0 HB ILE A 62 18.919 6.044 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.830 4.935 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.432 4.729 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.744 6.516 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.303 5.522 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.002 4.768 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.210 6.735 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.307 7.170 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.727 7.380 1.417 1.00 0.00 H new ATOM 919 N GLY A 63 21.265 3.455 4.852 1.00 0.00 N ATOM 920 CA GLY A 63 22.223 3.381 5.940 1.00 0.00 C ATOM 921 C GLY A 63 23.605 3.850 5.529 1.00 0.00 C ATOM 922 O GLY A 63 24.188 3.329 4.578 1.00 0.00 O ATOM 0 H GLY A 63 21.629 3.178 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.869 3.988 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.283 2.353 6.298 1.00 0.00 H new ATOM 926 N TYR A 64 24.129 4.839 6.245 1.00 0.00 N ATOM 927 CA TYR A 64 25.449 5.381 5.946 1.00 0.00 C ATOM 928 C TYR A 64 26.329 5.389 7.192 1.00 0.00 C ATOM 929 O TYR A 64 25.845 5.218 8.310 1.00 0.00 O ATOM 930 CB TYR A 64 25.326 6.800 5.387 1.00 0.00 C ATOM 931 CG TYR A 64 24.436 7.701 6.213 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.054 7.554 6.193 1.00 0.00 C ATOM 933 CD2 TYR A 64 24.976 8.700 7.013 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.237 8.375 6.945 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.167 9.525 7.770 1.00 0.00 C ATOM 936 CZ TYR A 64 22.798 9.359 7.732 1.00 0.00 C ATOM 937 OH TYR A 64 21.988 10.180 8.484 1.00 0.00 O ATOM 0 H TYR A 64 23.660 5.281 7.036 1.00 0.00 H new ATOM 0 HA TYR A 64 25.915 4.741 5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.320 7.244 5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.934 6.749 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.611 6.784 5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.047 8.834 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.165 8.247 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.604 10.296 8.388 1.00 0.00 H new ATOM 0 HH TYR A 64 22.541 10.818 8.982 1.00 0.00 H new ATOM 947 N GLY A 65 27.628 5.588 6.990 1.00 0.00 N ATOM 948 CA GLY A 65 28.557 5.615 8.105 1.00 0.00 C ATOM 949 C GLY A 65 29.975 5.282 7.686 1.00 0.00 C ATOM 950 O GLY A 65 30.217 4.253 7.053 1.00 0.00 O ATOM 0 H GLY A 65 28.054 5.731 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.540 6.603 8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.229 4.905 8.864 1.00 0.00 H new ATOM 954 N ILE A 66 30.915 6.153 8.037 1.00 0.00 N ATOM 955 CA ILE A 66 32.316 5.946 7.693 1.00 0.00 C ATOM 956 C ILE A 66 32.800 4.578 8.161 1.00 0.00 C ATOM 957 O ILE A 66 32.984 4.348 9.356 1.00 0.00 O ATOM 958 CB ILE A 66 33.214 7.035 8.309 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.723 8.424 7.899 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.660 6.831 7.884 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.093 9.511 8.884 1.00 0.00 C ATOM 0 H ILE A 66 30.731 7.009 8.560 1.00 0.00 H new ATOM 0 HA ILE A 66 32.386 6.001 6.607 1.00 0.00 H new ATOM 0 HB ILE A 66 33.161 6.958 9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.138 8.673 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.639 8.399 7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.283 7.608 8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 66 35.004 5.854 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.731 6.885 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.713 10.469 8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.656 9.285 9.857 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.178 9.564 8.977 1.00 0.00 H new ATOM 973 N GLY A 67 33.008 3.672 7.210 1.00 0.00 N ATOM 974 CA GLY A 67 33.471 2.338 7.544 1.00 0.00 C ATOM 975 C GLY A 67 32.329 1.364 7.758 1.00 0.00 C ATOM 976 O GLY A 67 32.319 0.275 7.185 1.00 0.00 O ATOM 0 H GLY A 67 32.864 3.838 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.114 1.969 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.080 2.384 8.447 1.00 0.00 H new ATOM 980 N SER A 68 31.367 1.756 8.586 1.00 0.00 N ATOM 981 CA SER A 68 30.217 0.907 8.878 1.00 0.00 C ATOM 982 C SER A 68 28.912 1.656 8.630 1.00 0.00 C ATOM 983 O SER A 68 28.669 2.732 9.177 1.00 0.00 O ATOM 984 CB SER A 68 30.272 0.420 10.328 1.00 0.00 C ATOM 985 OG SER A 68 30.481 1.500 11.221 1.00 0.00 O ATOM 0 H SER A 68 31.360 2.656 9.067 1.00 0.00 H new ATOM 0 HA SER A 68 30.253 0.046 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.342 -0.089 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.075 -0.309 10.440 1.00 0.00 H new ATOM 0 HG SER A 68 30.110 2.321 10.834 1.00 0.00 H new ATOM 991 N PRO A 69 28.049 1.074 7.784 1.00 0.00 N ATOM 992 CA PRO A 69 26.752 1.668 7.443 1.00 0.00 C ATOM 993 C PRO A 69 25.776 1.639 8.613 1.00 0.00 C ATOM 994 O PRO A 69 24.707 2.248 8.558 1.00 0.00 O ATOM 995 CB PRO A 69 26.246 0.783 6.301 1.00 0.00 C ATOM 996 CG PRO A 69 26.924 -0.527 6.509 1.00 0.00 C ATOM 997 CD PRO A 69 28.272 -0.208 7.095 1.00 0.00 C ATOM 0 HA PRO A 69 26.843 2.721 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 69 25.162 0.677 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.496 1.209 5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.347 -1.163 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 69 27.026 -1.067 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.604 -0.983 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 69 29.036 -0.122 6.322 1.00 0.00 H new ATOM 1005 N HIS A 70 26.149 0.928 9.672 1.00 0.00 N ATOM 1006 CA HIS A 70 25.306 0.820 10.857 1.00 0.00 C ATOM 1007 C HIS A 70 25.496 2.028 11.771 1.00 0.00 C ATOM 1008 O HIS A 70 25.593 1.887 12.989 1.00 0.00 O ATOM 1009 CB HIS A 70 25.624 -0.466 11.621 1.00 0.00 C ATOM 1010 CG HIS A 70 25.470 -1.706 10.795 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.424 -2.591 10.953 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.236 -2.206 9.797 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.555 -3.582 10.090 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.646 -3.372 9.376 1.00 0.00 N ATOM 0 H HIS A 70 27.030 0.418 9.734 1.00 0.00 H new ATOM 0 HA HIS A 70 24.266 0.792 10.531 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.646 -0.413 11.995 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.969 -0.534 12.490 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.142 -1.769 9.405 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.884 -4.422 9.986 1.00 0.00 H new ATOM 0 HE2 HIS A 70 25.994 -3.978 8.633 1.00 0.00 H new ATOM 1023 N ALA A 71 25.549 3.213 11.173 1.00 0.00 N ATOM 1024 CA ALA A 71 25.726 4.445 11.932 1.00 0.00 C ATOM 1025 C ALA A 71 24.434 5.253 11.976 1.00 0.00 C ATOM 1026 O ALA A 71 24.035 5.744 13.032 1.00 0.00 O ATOM 1027 CB ALA A 71 26.851 5.276 11.334 1.00 0.00 C ATOM 0 H ALA A 71 25.472 3.346 10.165 1.00 0.00 H new ATOM 0 HA ALA A 71 25.991 4.178 12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.972 6.193 11.911 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.779 4.705 11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.609 5.526 10.301 1.00 0.00 H new ATOM 1033 N GLN A 72 23.786 5.388 10.824 1.00 0.00 N ATOM 1034 CA GLN A 72 22.539 6.138 10.732 1.00 0.00 C ATOM 1035 C GLN A 72 21.554 5.445 9.796 1.00 0.00 C ATOM 1036 O GLN A 72 21.953 4.753 8.859 1.00 0.00 O ATOM 1037 CB GLN A 72 22.812 7.562 10.242 1.00 0.00 C ATOM 1038 CG GLN A 72 23.502 8.439 11.274 1.00 0.00 C ATOM 1039 CD GLN A 72 25.012 8.310 11.232 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.597 8.062 10.178 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.652 8.478 12.383 1.00 0.00 N ATOM 0 H GLN A 72 24.104 4.988 9.941 1.00 0.00 H new ATOM 0 HA GLN A 72 22.096 6.182 11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.430 7.516 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.868 8.026 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.225 9.480 11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.146 8.172 12.269 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.127 8.682 13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.669 8.403 12.417 1.00 0.00 H new ATOM 1050 N THR A 73 20.264 5.636 10.057 1.00 0.00 N ATOM 1051 CA THR A 73 19.222 5.028 9.240 1.00 0.00 C ATOM 1052 C THR A 73 18.139 6.041 8.888 1.00 0.00 C ATOM 1053 O THR A 73 17.540 6.655 9.772 1.00 0.00 O ATOM 1054 CB THR A 73 18.574 3.828 9.956 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.587 2.924 10.411 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.614 3.098 9.029 1.00 0.00 C ATOM 0 H THR A 73 19.917 6.207 10.828 1.00 0.00 H new ATOM 0 HA THR A 73 19.701 4.679 8.325 1.00 0.00 H new ATOM 0 HB THR A 73 18.012 4.204 10.811 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.167 2.165 10.866 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.169 2.255 9.557 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.828 3.781 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.157 2.734 8.156 1.00 0.00 H new ATOM 1064 N ILE A 74 17.891 6.210 7.594 1.00 0.00 N ATOM 1065 CA ILE A 74 16.877 7.148 7.126 1.00 0.00 C ATOM 1066 C ILE A 74 15.815 6.439 6.293 1.00 0.00 C ATOM 1067 O ILE A 74 16.068 6.031 5.160 1.00 0.00 O ATOM 1068 CB ILE A 74 17.501 8.279 6.288 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.542 9.040 7.112 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.420 9.224 5.786 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.299 10.081 6.316 1.00 0.00 C ATOM 0 H ILE A 74 18.378 5.710 6.850 1.00 0.00 H new ATOM 0 HA ILE A 74 16.412 7.578 8.013 1.00 0.00 H new ATOM 0 HB ILE A 74 18.001 7.839 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.045 9.527 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.252 8.328 7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.877 10.018 5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.713 8.672 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.895 9.660 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.020 10.581 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.825 9.598 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.598 10.815 5.918 1.00 0.00 H new ATOM 1083 N LYS A 75 14.623 6.296 6.862 1.00 0.00 N ATOM 1084 CA LYS A 75 13.519 5.640 6.172 1.00 0.00 C ATOM 1085 C LYS A 75 12.575 6.667 5.555 1.00 0.00 C ATOM 1086 O LYS A 75 11.977 7.479 6.261 1.00 0.00 O ATOM 1087 CB LYS A 75 12.748 4.741 7.141 1.00 0.00 C ATOM 1088 CG LYS A 75 13.605 3.666 7.787 1.00 0.00 C ATOM 1089 CD LYS A 75 12.826 2.885 8.832 1.00 0.00 C ATOM 1090 CE LYS A 75 13.685 1.807 9.477 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.801 0.600 8.613 1.00 0.00 N ATOM 0 H LYS A 75 14.397 6.626 7.800 1.00 0.00 H new ATOM 0 HA LYS A 75 13.936 5.029 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.305 5.359 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.926 4.266 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.973 2.984 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.478 4.125 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.459 3.567 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.952 2.427 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.679 2.207 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.254 1.526 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.851 -0.250 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.970 0.538 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.663 0.668 8.035 1.00 0.00 H new ATOM 1105 N VAL A 76 12.445 6.625 4.233 1.00 0.00 N ATOM 1106 CA VAL A 76 11.571 7.550 3.521 1.00 0.00 C ATOM 1107 C VAL A 76 10.462 6.804 2.787 1.00 0.00 C ATOM 1108 O VAL A 76 10.421 5.574 2.788 1.00 0.00 O ATOM 1109 CB VAL A 76 12.361 8.400 2.507 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.409 9.242 3.219 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.004 7.511 1.454 1.00 0.00 C ATOM 0 H VAL A 76 12.934 5.960 3.633 1.00 0.00 H new ATOM 0 HA VAL A 76 11.129 8.208 4.269 1.00 0.00 H new ATOM 0 HB VAL A 76 11.667 9.075 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.957 9.836 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.920 9.906 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.102 8.589 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.558 8.128 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.686 6.811 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.230 6.957 0.924 1.00 0.00 H new ATOM 1121 N ASP A 77 9.564 7.558 2.162 1.00 0.00 N ATOM 1122 CA ASP A 77 8.454 6.969 1.422 1.00 0.00 C ATOM 1123 C ASP A 77 8.954 6.250 0.173 1.00 0.00 C ATOM 1124 O ASP A 77 10.136 6.321 -0.165 1.00 0.00 O ATOM 1125 CB ASP A 77 7.442 8.048 1.034 1.00 0.00 C ATOM 1126 CG ASP A 77 6.516 8.411 2.178 1.00 0.00 C ATOM 1127 OD1 ASP A 77 5.604 7.612 2.479 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.701 9.494 2.772 1.00 0.00 O ATOM 0 H ASP A 77 9.583 8.578 2.153 1.00 0.00 H new ATOM 0 HA ASP A 77 7.966 6.239 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.975 8.940 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.850 7.699 0.188 1.00 0.00 H new ATOM 1133 N TYR A 78 8.048 5.558 -0.508 1.00 0.00 N ATOM 1134 CA TYR A 78 8.397 4.823 -1.718 1.00 0.00 C ATOM 1135 C TYR A 78 8.554 5.770 -2.904 1.00 0.00 C ATOM 1136 O TYR A 78 9.206 5.440 -3.895 1.00 0.00 O ATOM 1137 CB TYR A 78 7.330 3.772 -2.027 1.00 0.00 C ATOM 1138 CG TYR A 78 5.918 4.310 -1.980 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.437 5.143 -2.983 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.065 3.987 -0.932 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.148 5.638 -2.943 1.00 0.00 C ATOM 1142 CE2 TYR A 78 3.774 4.476 -0.885 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.320 5.301 -1.893 1.00 0.00 C ATOM 1144 OH TYR A 78 2.035 5.791 -1.849 1.00 0.00 O ATOM 0 H TYR A 78 7.065 5.490 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 78 9.350 4.323 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.518 3.355 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.422 2.953 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.082 5.408 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.417 3.342 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.791 6.286 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.124 4.214 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 78 1.585 5.457 -1.045 1.00 0.00 H new ATOM 1154 N LYS A 79 7.951 6.949 -2.795 1.00 0.00 N ATOM 1155 CA LYS A 79 8.023 7.946 -3.856 1.00 0.00 C ATOM 1156 C LYS A 79 9.317 8.749 -3.761 1.00 0.00 C ATOM 1157 O LYS A 79 9.330 9.953 -4.016 1.00 0.00 O ATOM 1158 CB LYS A 79 6.819 8.888 -3.781 1.00 0.00 C ATOM 1159 CG LYS A 79 5.623 8.411 -4.586 1.00 0.00 C ATOM 1160 CD LYS A 79 4.370 9.200 -4.244 1.00 0.00 C ATOM 1161 CE LYS A 79 3.296 9.027 -5.306 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.404 7.872 -5.010 1.00 0.00 N ATOM 0 H LYS A 79 7.407 7.237 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 79 8.009 7.424 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.522 9.003 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.117 9.874 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.837 8.510 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.452 7.352 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.985 8.872 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.619 10.257 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.701 9.938 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.767 8.882 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.493 8.004 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.850 6.994 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.245 7.810 -3.984 1.00 0.00 H new ATOM 1176 N GLN A 80 10.401 8.074 -3.393 1.00 0.00 N ATOM 1177 CA GLN A 80 11.699 8.725 -3.266 1.00 0.00 C ATOM 1178 C GLN A 80 12.721 8.093 -4.205 1.00 0.00 C ATOM 1179 O GLN A 80 13.102 6.935 -4.035 1.00 0.00 O ATOM 1180 CB GLN A 80 12.196 8.641 -1.822 1.00 0.00 C ATOM 1181 CG GLN A 80 11.532 9.641 -0.890 1.00 0.00 C ATOM 1182 CD GLN A 80 11.660 11.070 -1.380 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.621 11.767 -1.054 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.688 11.515 -2.169 1.00 0.00 N ATOM 0 H GLN A 80 10.406 7.077 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 80 11.579 9.773 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.021 7.634 -1.444 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.274 8.804 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.476 9.390 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.978 9.560 0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.910 10.903 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.720 12.469 -2.530 1.00 0.00 H new ATOM 1193 N ARG A 81 13.160 8.860 -5.198 1.00 0.00 N ATOM 1194 CA ARG A 81 14.135 8.374 -6.166 1.00 0.00 C ATOM 1195 C ARG A 81 15.541 8.384 -5.572 1.00 0.00 C ATOM 1196 O ARG A 81 16.331 7.469 -5.805 1.00 0.00 O ATOM 1197 CB ARG A 81 14.099 9.230 -7.433 1.00 0.00 C ATOM 1198 CG ARG A 81 15.315 9.048 -8.326 1.00 0.00 C ATOM 1199 CD ARG A 81 15.427 7.617 -8.829 1.00 0.00 C ATOM 1200 NE ARG A 81 16.074 7.545 -10.137 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.436 7.749 -11.284 1.00 0.00 C ATOM 1202 NH1 ARG A 81 14.141 8.035 -11.285 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.093 7.666 -12.433 1.00 0.00 N ATOM 0 H ARG A 81 12.855 9.821 -5.353 1.00 0.00 H new ATOM 0 HA ARG A 81 13.874 7.347 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.202 8.985 -8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.021 10.280 -7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.250 9.729 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.217 9.312 -7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.994 7.024 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.432 7.176 -8.892 1.00 0.00 H new ATOM 0 HE ARG A 81 17.070 7.326 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.632 8.099 -10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.654 8.191 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.089 7.445 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.602 7.823 -13.313 1.00 0.00 H new ATOM 1217 N TYR A 82 15.846 9.424 -4.805 1.00 0.00 N ATOM 1218 CA TYR A 82 17.157 9.555 -4.180 1.00 0.00 C ATOM 1219 C TYR A 82 17.081 10.429 -2.931 1.00 0.00 C ATOM 1220 O TYR A 82 16.055 11.051 -2.657 1.00 0.00 O ATOM 1221 CB TYR A 82 18.160 10.148 -5.171 1.00 0.00 C ATOM 1222 CG TYR A 82 17.890 11.596 -5.512 1.00 0.00 C ATOM 1223 CD1 TYR A 82 17.012 11.938 -6.533 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.513 12.623 -4.813 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.763 13.259 -6.849 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.269 13.947 -5.121 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.394 14.260 -6.140 1.00 0.00 C ATOM 1228 OH TYR A 82 17.147 15.578 -6.451 1.00 0.00 O ATOM 0 H TYR A 82 15.203 10.189 -4.601 1.00 0.00 H new ATOM 0 HA TYR A 82 17.492 8.561 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.164 10.063 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 82 18.144 9.558 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.515 11.157 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.200 12.382 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 82 16.078 13.507 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.761 14.733 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 82 17.669 16.157 -5.858 1.00 0.00 H new ATOM 1238 N TYR A 83 18.175 10.471 -2.180 1.00 0.00 N ATOM 1239 CA TYR A 83 18.234 11.266 -0.959 1.00 0.00 C ATOM 1240 C TYR A 83 19.557 12.020 -0.863 1.00 0.00 C ATOM 1241 O TYR A 83 20.614 11.492 -1.209 1.00 0.00 O ATOM 1242 CB TYR A 83 18.055 10.370 0.268 1.00 0.00 C ATOM 1243 CG TYR A 83 17.808 11.137 1.547 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.867 11.582 2.329 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.516 11.419 1.974 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.647 12.282 3.499 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.286 12.120 3.142 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.355 12.549 3.901 1.00 0.00 C ATOM 1249 OH TYR A 83 17.131 13.248 5.065 1.00 0.00 O ATOM 0 H TYR A 83 19.034 9.964 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 83 17.423 11.994 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.219 9.692 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.945 9.753 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.880 11.377 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.677 11.084 1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.482 12.618 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.275 12.331 3.459 1.00 0.00 H new ATOM 0 HH TYR A 83 16.166 13.352 5.203 1.00 0.00 H new ATOM 1259 N THR A 84 19.490 13.261 -0.389 1.00 0.00 N ATOM 1260 CA THR A 84 20.681 14.090 -0.247 1.00 0.00 C ATOM 1261 C THR A 84 21.163 14.115 1.198 1.00 0.00 C ATOM 1262 O THR A 84 20.663 14.888 2.016 1.00 0.00 O ATOM 1263 CB THR A 84 20.419 15.534 -0.715 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.027 15.539 -2.092 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.659 16.395 -0.531 1.00 0.00 C ATOM 0 H THR A 84 18.624 13.714 -0.097 1.00 0.00 H new ATOM 0 HA THR A 84 21.452 13.647 -0.877 1.00 0.00 H new ATOM 0 HB THR A 84 19.615 15.950 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.861 16.460 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.450 17.410 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.937 16.413 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.480 15.980 -1.116 1.00 0.00 H new ATOM 1273 N ILE A 85 22.138 13.266 1.507 1.00 0.00 N ATOM 1274 CA ILE A 85 22.689 13.194 2.854 1.00 0.00 C ATOM 1275 C ILE A 85 23.648 14.350 3.119 1.00 0.00 C ATOM 1276 O ILE A 85 24.540 14.625 2.317 1.00 0.00 O ATOM 1277 CB ILE A 85 23.430 11.864 3.089 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.492 10.682 2.838 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.991 11.812 4.502 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.201 9.347 2.792 1.00 0.00 C ATOM 0 H ILE A 85 22.562 12.619 0.842 1.00 0.00 H new ATOM 0 HA ILE A 85 21.847 13.258 3.543 1.00 0.00 H new ATOM 0 HB ILE A 85 24.262 11.799 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.736 10.656 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.968 10.838 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.512 10.866 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.688 12.637 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.176 11.895 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.474 8.555 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.938 9.354 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.702 9.168 3.743 1.00 0.00 H new ATOM 1292 N GLU A 86 23.457 15.022 4.250 1.00 0.00 N ATOM 1293 CA GLU A 86 24.306 16.148 4.621 1.00 0.00 C ATOM 1294 C GLU A 86 24.897 15.949 6.013 1.00 0.00 C ATOM 1295 O GLU A 86 24.684 14.917 6.648 1.00 0.00 O ATOM 1296 CB GLU A 86 23.509 17.453 4.575 1.00 0.00 C ATOM 1297 CG GLU A 86 22.904 17.750 3.213 1.00 0.00 C ATOM 1298 CD GLU A 86 22.326 19.149 3.124 1.00 0.00 C ATOM 1299 OE1 GLU A 86 23.073 20.075 2.744 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.128 19.318 3.433 1.00 0.00 O ATOM 0 H GLU A 86 22.723 14.807 4.924 1.00 0.00 H new ATOM 0 HA GLU A 86 25.124 16.205 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.711 17.407 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 86 24.162 18.278 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.668 17.627 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.120 17.023 3.001 1.00 0.00 H new ATOM 1307 N ASN A 87 25.642 16.945 6.482 1.00 0.00 N ATOM 1308 CA ASN A 87 26.265 16.879 7.799 1.00 0.00 C ATOM 1309 C ASN A 87 27.465 15.937 7.786 1.00 0.00 C ATOM 1310 O ASN A 87 27.769 15.287 8.788 1.00 0.00 O ATOM 1311 CB ASN A 87 25.249 16.416 8.845 1.00 0.00 C ATOM 1312 CG ASN A 87 23.831 16.822 8.492 1.00 0.00 C ATOM 1313 OD1 ASN A 87 22.878 16.093 8.770 1.00 0.00 O ATOM 1314 ND2 ASN A 87 23.686 17.990 7.877 1.00 0.00 N ATOM 0 H ASN A 87 25.829 17.807 5.970 1.00 0.00 H new ATOM 0 HA ASN A 87 26.613 17.879 8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.300 15.332 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.514 16.836 9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.756 18.316 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 87 24.505 18.561 7.667 1.00 0.00 H new ATOM 1321 N LEU A 88 28.143 15.867 6.647 1.00 0.00 N ATOM 1322 CA LEU A 88 29.311 15.004 6.503 1.00 0.00 C ATOM 1323 C LEU A 88 30.587 15.830 6.381 1.00 0.00 C ATOM 1324 O LEU A 88 30.542 17.060 6.350 1.00 0.00 O ATOM 1325 CB LEU A 88 29.155 14.101 5.278 1.00 0.00 C ATOM 1326 CG LEU A 88 27.875 13.266 5.218 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.768 12.549 3.881 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.836 12.268 6.366 1.00 0.00 C ATOM 0 H LEU A 88 27.905 16.397 5.809 1.00 0.00 H new ATOM 0 HA LEU A 88 29.386 14.384 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 88 29.201 14.724 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 88 30.009 13.424 5.239 1.00 0.00 H new ATOM 0 HG LEU A 88 27.021 13.936 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.851 11.960 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.750 13.283 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.626 11.890 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.919 11.682 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.696 11.602 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.865 12.804 7.315 1.00 0.00 H new ATOM 1340 N ASP A 89 31.724 15.147 6.309 1.00 0.00 N ATOM 1341 CA ASP A 89 33.013 15.817 6.186 1.00 0.00 C ATOM 1342 C ASP A 89 33.741 15.369 4.923 1.00 0.00 C ATOM 1343 O ASP A 89 33.740 14.192 4.561 1.00 0.00 O ATOM 1344 CB ASP A 89 33.878 15.535 7.415 1.00 0.00 C ATOM 1345 CG ASP A 89 35.354 15.754 7.147 1.00 0.00 C ATOM 1346 OD1 ASP A 89 36.015 14.812 6.661 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.848 16.866 7.423 1.00 0.00 O ATOM 0 H ASP A 89 31.779 14.129 6.334 1.00 0.00 H new ATOM 0 HA ASP A 89 32.831 16.890 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.561 16.180 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.719 14.506 7.739 1.00 0.00 H new ATOM 1352 N PRO A 90 34.376 16.328 4.233 1.00 0.00 N ATOM 1353 CA PRO A 90 35.120 16.055 2.999 1.00 0.00 C ATOM 1354 C PRO A 90 36.394 15.258 3.254 1.00 0.00 C ATOM 1355 O PRO A 90 36.942 15.281 4.356 1.00 0.00 O ATOM 1356 CB PRO A 90 35.459 17.453 2.474 1.00 0.00 C ATOM 1357 CG PRO A 90 35.462 18.322 3.684 1.00 0.00 C ATOM 1358 CD PRO A 90 34.419 17.752 4.605 1.00 0.00 C ATOM 0 HA PRO A 90 34.543 15.450 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 90 36.429 17.464 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.722 17.792 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.443 18.326 4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 90 35.230 19.355 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.691 17.886 5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.451 18.234 4.463 1.00 0.00 H new ATOM 1366 N SER A 91 36.860 14.552 2.229 1.00 0.00 N ATOM 1367 CA SER A 91 38.069 13.745 2.343 1.00 0.00 C ATOM 1368 C SER A 91 37.849 12.570 3.291 1.00 0.00 C ATOM 1369 O SER A 91 38.639 12.342 4.208 1.00 0.00 O ATOM 1370 CB SER A 91 39.236 14.602 2.836 1.00 0.00 C ATOM 1371 OG SER A 91 40.459 13.889 2.763 1.00 0.00 O ATOM 0 H SER A 91 36.419 14.523 1.310 1.00 0.00 H new ATOM 0 HA SER A 91 38.309 13.353 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 91 39.304 15.509 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.054 14.913 3.865 1.00 0.00 H new ATOM 0 HG SER A 91 40.417 13.106 3.351 1.00 0.00 H new ATOM 1377 N SER A 92 36.770 11.827 3.064 1.00 0.00 N ATOM 1378 CA SER A 92 36.443 10.678 3.900 1.00 0.00 C ATOM 1379 C SER A 92 35.645 9.643 3.112 1.00 0.00 C ATOM 1380 O SER A 92 34.953 9.977 2.150 1.00 0.00 O ATOM 1381 CB SER A 92 35.649 11.124 5.129 1.00 0.00 C ATOM 1382 OG SER A 92 35.467 10.051 6.036 1.00 0.00 O ATOM 0 H SER A 92 36.108 12.000 2.308 1.00 0.00 H new ATOM 0 HA SER A 92 37.376 10.220 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.172 11.940 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.678 11.510 4.818 1.00 0.00 H new ATOM 0 HG SER A 92 34.958 10.363 6.813 1.00 0.00 H new ATOM 1388 N HIS A 93 35.747 8.385 3.528 1.00 0.00 N ATOM 1389 CA HIS A 93 35.035 7.300 2.863 1.00 0.00 C ATOM 1390 C HIS A 93 33.768 6.932 3.629 1.00 0.00 C ATOM 1391 O HIS A 93 33.801 6.732 4.843 1.00 0.00 O ATOM 1392 CB HIS A 93 35.939 6.074 2.730 1.00 0.00 C ATOM 1393 CG HIS A 93 35.210 4.834 2.312 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.456 3.594 2.863 1.00 0.00 N ATOM 1395 CD2 HIS A 93 34.234 4.649 1.393 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.665 2.699 2.299 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.913 3.314 1.403 1.00 0.00 N ATOM 0 H HIS A 93 36.316 8.092 4.322 1.00 0.00 H new ATOM 0 HA HIS A 93 34.751 7.642 1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.722 6.288 2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.432 5.891 3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.790 5.410 0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.637 1.644 2.531 1.00 0.00 H new ATOM 0 HE2 HIS A 93 33.209 2.869 0.814 1.00 0.00 H new ATOM 1406 N TYR A 94 32.653 6.845 2.912 1.00 0.00 N ATOM 1407 CA TYR A 94 31.375 6.504 3.524 1.00 0.00 C ATOM 1408 C TYR A 94 30.757 5.282 2.852 1.00 0.00 C ATOM 1409 O TYR A 94 30.934 5.061 1.654 1.00 0.00 O ATOM 1410 CB TYR A 94 30.412 7.689 3.437 1.00 0.00 C ATOM 1411 CG TYR A 94 30.686 8.769 4.460 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.661 9.733 4.236 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.969 8.825 5.649 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.915 10.720 5.168 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.216 9.810 6.585 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.190 10.755 6.341 1.00 0.00 C ATOM 1417 OH TYR A 94 31.440 11.738 7.271 1.00 0.00 O ATOM 0 H TYR A 94 32.609 7.006 1.906 1.00 0.00 H new ATOM 0 HA TYR A 94 31.555 6.267 4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.472 8.122 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.392 7.328 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.230 9.710 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.206 8.086 5.844 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.678 11.461 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.649 9.840 7.504 1.00 0.00 H new ATOM 0 HH TYR A 94 30.843 11.621 8.039 1.00 0.00 H new ATOM 1427 N VAL A 95 30.030 4.489 3.633 1.00 0.00 N ATOM 1428 CA VAL A 95 29.383 3.290 3.115 1.00 0.00 C ATOM 1429 C VAL A 95 27.865 3.423 3.155 1.00 0.00 C ATOM 1430 O VAL A 95 27.250 3.313 4.216 1.00 0.00 O ATOM 1431 CB VAL A 95 29.799 2.039 3.912 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.081 0.806 3.384 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.308 1.851 3.859 1.00 0.00 C ATOM 0 H VAL A 95 29.875 4.656 4.627 1.00 0.00 H new ATOM 0 HA VAL A 95 29.707 3.177 2.081 1.00 0.00 H new ATOM 0 HB VAL A 95 29.510 2.180 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.387 -0.068 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.004 0.944 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.337 0.658 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.584 0.963 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.624 1.731 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.799 2.724 4.289 1.00 0.00 H new ATOM 1443 N ILE A 96 27.266 3.659 1.993 1.00 0.00 N ATOM 1444 CA ILE A 96 25.819 3.806 1.895 1.00 0.00 C ATOM 1445 C ILE A 96 25.154 2.476 1.559 1.00 0.00 C ATOM 1446 O ILE A 96 25.651 1.711 0.732 1.00 0.00 O ATOM 1447 CB ILE A 96 25.429 4.847 0.829 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.008 6.217 1.186 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.916 4.924 0.693 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.448 6.395 0.759 1.00 0.00 C ATOM 0 H ILE A 96 27.760 3.753 1.106 1.00 0.00 H new ATOM 0 HA ILE A 96 25.470 4.149 2.869 1.00 0.00 H new ATOM 0 HB ILE A 96 25.845 4.537 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.401 6.992 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.937 6.363 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.656 5.664 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.527 3.950 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.479 5.214 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.792 7.389 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.068 5.643 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.523 6.282 -0.322 1.00 0.00 H new ATOM 1462 N THR A 97 24.023 2.206 2.204 1.00 0.00 N ATOM 1463 CA THR A 97 23.288 0.969 1.973 1.00 0.00 C ATOM 1464 C THR A 97 21.799 1.240 1.789 1.00 0.00 C ATOM 1465 O THR A 97 21.274 2.239 2.284 1.00 0.00 O ATOM 1466 CB THR A 97 23.477 -0.022 3.137 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.102 0.595 4.373 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.922 -0.493 3.217 1.00 0.00 C ATOM 0 H THR A 97 23.596 2.828 2.891 1.00 0.00 H new ATOM 0 HA THR A 97 23.690 0.528 1.061 1.00 0.00 H new ATOM 0 HB THR A 97 22.839 -0.887 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.591 1.438 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.031 -1.192 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.195 -0.989 2.286 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.576 0.364 3.376 1.00 0.00 H new ATOM 1476 N LEU A 98 21.123 0.347 1.076 1.00 0.00 N ATOM 1477 CA LEU A 98 19.693 0.489 0.827 1.00 0.00 C ATOM 1478 C LEU A 98 18.999 -0.868 0.847 1.00 0.00 C ATOM 1479 O LEU A 98 19.495 -1.840 0.276 1.00 0.00 O ATOM 1480 CB LEU A 98 19.456 1.177 -0.519 1.00 0.00 C ATOM 1481 CG LEU A 98 18.024 1.130 -1.053 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.224 2.317 -0.541 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.023 1.101 -2.575 1.00 0.00 C ATOM 0 H LEU A 98 21.542 -0.484 0.659 1.00 0.00 H new ATOM 0 HA LEU A 98 19.270 1.103 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.755 2.221 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.114 0.720 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 98 17.552 0.217 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.208 2.266 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.196 2.294 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.694 3.243 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.996 1.068 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.513 1.997 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.559 0.218 -2.922 1.00 0.00 H new ATOM 1495 N LYS A 99 17.847 -0.928 1.506 1.00 0.00 N ATOM 1496 CA LYS A 99 17.081 -2.166 1.598 1.00 0.00 C ATOM 1497 C LYS A 99 15.583 -1.885 1.527 1.00 0.00 C ATOM 1498 O LYS A 99 15.084 -0.963 2.171 1.00 0.00 O ATOM 1499 CB LYS A 99 17.411 -2.899 2.900 1.00 0.00 C ATOM 1500 CG LYS A 99 16.918 -2.180 4.145 1.00 0.00 C ATOM 1501 CD LYS A 99 17.011 -3.068 5.374 1.00 0.00 C ATOM 1502 CE LYS A 99 18.423 -3.092 5.939 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.449 -3.577 7.347 1.00 0.00 N ATOM 0 H LYS A 99 17.423 -0.133 1.985 1.00 0.00 H new ATOM 0 HA LYS A 99 17.356 -2.797 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.971 -3.896 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.491 -3.030 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.507 -1.277 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.885 -1.865 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.319 -2.710 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.704 -4.082 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.050 -3.735 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.850 -2.090 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.429 -3.579 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.871 -2.949 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.065 -4.543 7.389 1.00 0.00 H new ATOM 1517 N ALA A 100 14.872 -2.687 0.741 1.00 0.00 N ATOM 1518 CA ALA A 100 13.432 -2.527 0.588 1.00 0.00 C ATOM 1519 C ALA A 100 12.679 -3.241 1.705 1.00 0.00 C ATOM 1520 O ALA A 100 12.963 -4.398 2.018 1.00 0.00 O ATOM 1521 CB ALA A 100 12.983 -3.047 -0.769 1.00 0.00 C ATOM 0 H ALA A 100 15.271 -3.454 0.200 1.00 0.00 H new ATOM 0 HA ALA A 100 13.202 -1.463 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.905 -2.921 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.488 -2.489 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.234 -4.104 -0.855 1.00 0.00 H new ATOM 1527 N PHE A 101 11.718 -2.545 2.304 1.00 0.00 N ATOM 1528 CA PHE A 101 10.925 -3.113 3.388 1.00 0.00 C ATOM 1529 C PHE A 101 9.439 -2.842 3.175 1.00 0.00 C ATOM 1530 O PHE A 101 9.040 -1.720 2.866 1.00 0.00 O ATOM 1531 CB PHE A 101 11.372 -2.534 4.733 1.00 0.00 C ATOM 1532 CG PHE A 101 11.048 -1.077 4.896 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.911 -0.104 4.417 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.881 -0.679 5.527 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.616 1.238 4.566 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.580 0.661 5.679 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.448 1.621 5.197 1.00 0.00 C ATOM 0 H PHE A 101 11.470 -1.587 2.057 1.00 0.00 H new ATOM 0 HA PHE A 101 11.083 -4.191 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.897 -3.096 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.448 -2.673 4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.825 -0.398 3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.198 -1.425 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.298 1.986 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.667 0.957 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.214 2.669 5.313 1.00 0.00 H new ATOM 1547 N ASN A 102 8.624 -3.879 3.341 1.00 0.00 N ATOM 1548 CA ASN A 102 7.182 -3.754 3.166 1.00 0.00 C ATOM 1549 C ASN A 102 6.435 -4.379 4.340 1.00 0.00 C ATOM 1550 O ASN A 102 7.047 -4.882 5.281 1.00 0.00 O ATOM 1551 CB ASN A 102 6.747 -4.419 1.858 1.00 0.00 C ATOM 1552 CG ASN A 102 6.694 -5.930 1.967 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.130 -6.507 2.964 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.159 -6.579 0.940 1.00 0.00 N ATOM 0 H ASN A 102 8.938 -4.815 3.597 1.00 0.00 H new ATOM 0 HA ASN A 102 6.937 -2.693 3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.764 -4.044 1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.439 -4.139 1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.097 -7.597 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.810 -6.060 0.134 1.00 0.00 H new ATOM 1561 N ASN A 103 5.108 -4.344 4.276 1.00 0.00 N ATOM 1562 CA ASN A 103 4.276 -4.907 5.334 1.00 0.00 C ATOM 1563 C ASN A 103 4.737 -6.315 5.696 1.00 0.00 C ATOM 1564 O ASN A 103 4.771 -6.687 6.870 1.00 0.00 O ATOM 1565 CB ASN A 103 2.810 -4.934 4.899 1.00 0.00 C ATOM 1566 CG ASN A 103 2.291 -3.558 4.530 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.598 -2.568 5.194 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.498 -3.490 3.467 1.00 0.00 N ATOM 0 H ASN A 103 4.586 -3.932 3.503 1.00 0.00 H new ATOM 0 HA ASN A 103 4.374 -4.273 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.700 -5.602 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.202 -5.344 5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.117 -2.591 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.270 -4.337 2.946 1.00 0.00 H new ATOM 1575 N VAL A 104 5.092 -7.096 4.680 1.00 0.00 N ATOM 1576 CA VAL A 104 5.553 -8.463 4.891 1.00 0.00 C ATOM 1577 C VAL A 104 6.815 -8.492 5.746 1.00 0.00 C ATOM 1578 O VAL A 104 6.900 -9.237 6.721 1.00 0.00 O ATOM 1579 CB VAL A 104 5.835 -9.172 3.554 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.179 -10.636 3.787 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.643 -9.039 2.618 1.00 0.00 C ATOM 0 H VAL A 104 5.069 -6.805 3.703 1.00 0.00 H new ATOM 0 HA VAL A 104 4.754 -8.990 5.412 1.00 0.00 H new ATOM 0 HB VAL A 104 6.693 -8.692 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.375 -11.120 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.065 -10.706 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.343 -11.132 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.860 -9.546 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.765 -9.491 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.448 -7.984 2.425 1.00 0.00 H new ATOM 1591 N GLY A 105 7.795 -7.674 5.373 1.00 0.00 N ATOM 1592 CA GLY A 105 9.040 -7.621 6.116 1.00 0.00 C ATOM 1593 C GLY A 105 10.125 -6.865 5.376 1.00 0.00 C ATOM 1594 O GLY A 105 9.835 -6.051 4.499 1.00 0.00 O ATOM 0 H GLY A 105 7.748 -7.047 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.864 -7.146 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.382 -8.636 6.319 1.00 0.00 H new ATOM 1598 N GLU A 106 11.378 -7.132 5.731 1.00 0.00 N ATOM 1599 CA GLU A 106 12.510 -6.467 5.095 1.00 0.00 C ATOM 1600 C GLU A 106 13.239 -7.419 4.150 1.00 0.00 C ATOM 1601 O GLU A 106 13.150 -8.638 4.290 1.00 0.00 O ATOM 1602 CB GLU A 106 13.480 -5.939 6.154 1.00 0.00 C ATOM 1603 CG GLU A 106 12.847 -4.956 7.124 1.00 0.00 C ATOM 1604 CD GLU A 106 13.746 -4.639 8.303 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.912 -4.257 8.076 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.281 -4.775 9.455 1.00 0.00 O ATOM 0 H GLU A 106 11.635 -7.803 6.455 1.00 0.00 H new ATOM 0 HA GLU A 106 12.127 -5.628 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.885 -6.781 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.320 -5.455 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.608 -4.033 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.906 -5.367 7.490 1.00 0.00 H new ATOM 1613 N GLY A 107 13.959 -6.851 3.188 1.00 0.00 N ATOM 1614 CA GLY A 107 14.692 -7.662 2.233 1.00 0.00 C ATOM 1615 C GLY A 107 16.188 -7.636 2.479 1.00 0.00 C ATOM 1616 O GLY A 107 16.635 -7.573 3.624 1.00 0.00 O ATOM 0 H GLY A 107 14.048 -5.844 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.336 -8.691 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.486 -7.305 1.224 1.00 0.00 H new ATOM 1620 N ILE A 108 16.963 -7.687 1.401 1.00 0.00 N ATOM 1621 CA ILE A 108 18.417 -7.669 1.505 1.00 0.00 C ATOM 1622 C ILE A 108 18.980 -6.308 1.108 1.00 0.00 C ATOM 1623 O ILE A 108 18.719 -5.794 0.021 1.00 0.00 O ATOM 1624 CB ILE A 108 19.058 -8.755 0.621 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.166 -9.052 -0.587 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.303 -10.020 1.429 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.031 -10.003 -0.279 1.00 0.00 C ATOM 0 H ILE A 108 16.609 -7.741 0.446 1.00 0.00 H new ATOM 0 HA ILE A 108 18.661 -7.870 2.548 1.00 0.00 H new ATOM 0 HB ILE A 108 20.018 -8.388 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.753 -8.116 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.777 -9.474 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.756 -10.778 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.973 -9.797 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.355 -10.393 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.440 -10.168 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.437 -10.953 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.397 -9.574 0.497 1.00 0.00 H new ATOM 1639 N PRO A 109 19.773 -5.711 2.010 1.00 0.00 N ATOM 1640 CA PRO A 109 20.392 -4.403 1.776 1.00 0.00 C ATOM 1641 C PRO A 109 21.481 -4.459 0.710 1.00 0.00 C ATOM 1642 O PRO A 109 21.885 -5.539 0.277 1.00 0.00 O ATOM 1643 CB PRO A 109 20.994 -4.047 3.137 1.00 0.00 C ATOM 1644 CG PRO A 109 21.227 -5.359 3.803 1.00 0.00 C ATOM 1645 CD PRO A 109 20.127 -6.266 3.327 1.00 0.00 C ATOM 0 HA PRO A 109 19.672 -3.672 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.924 -3.489 3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.316 -3.423 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.205 -5.761 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.205 -5.255 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.464 -7.300 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.276 -6.258 4.008 1.00 0.00 H new ATOM 1653 N LEU A 110 21.954 -3.291 0.291 1.00 0.00 N ATOM 1654 CA LEU A 110 22.998 -3.207 -0.724 1.00 0.00 C ATOM 1655 C LEU A 110 24.260 -2.565 -0.157 1.00 0.00 C ATOM 1656 O LEU A 110 24.236 -1.976 0.924 1.00 0.00 O ATOM 1657 CB LEU A 110 22.502 -2.405 -1.929 1.00 0.00 C ATOM 1658 CG LEU A 110 21.533 -3.129 -2.864 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.940 -2.158 -3.874 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.235 -4.277 -3.575 1.00 0.00 C ATOM 0 H LEU A 110 21.631 -2.388 0.639 1.00 0.00 H new ATOM 0 HA LEU A 110 23.241 -4.220 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.015 -1.501 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.368 -2.088 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 110 20.720 -3.541 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.253 -2.691 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.401 -1.370 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.741 -1.716 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.530 -4.781 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.067 -3.887 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.611 -4.986 -2.838 1.00 0.00 H new ATOM 1672 N TYR A 111 25.359 -2.683 -0.893 1.00 0.00 N ATOM 1673 CA TYR A 111 26.631 -2.114 -0.463 1.00 0.00 C ATOM 1674 C TYR A 111 27.202 -1.185 -1.530 1.00 0.00 C ATOM 1675 O TYR A 111 27.352 -1.573 -2.688 1.00 0.00 O ATOM 1676 CB TYR A 111 27.632 -3.228 -0.152 1.00 0.00 C ATOM 1677 CG TYR A 111 27.517 -3.772 1.254 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.348 -4.383 1.690 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.578 -3.675 2.146 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.238 -4.880 2.974 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.477 -4.171 3.432 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.305 -4.772 3.841 1.00 0.00 C ATOM 1683 OH TYR A 111 27.200 -5.267 5.121 1.00 0.00 O ATOM 0 H TYR A 111 25.395 -3.167 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 111 26.452 -1.532 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.487 -4.043 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.643 -2.849 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.511 -4.471 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.497 -3.204 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.321 -5.351 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.311 -4.088 4.113 1.00 0.00 H new ATOM 0 HH TYR A 111 28.040 -5.112 5.602 1.00 0.00 H new ATOM 1693 N GLU A 112 27.517 0.042 -1.130 1.00 0.00 N ATOM 1694 CA GLU A 112 28.071 1.027 -2.051 1.00 0.00 C ATOM 1695 C GLU A 112 29.268 1.741 -1.430 1.00 0.00 C ATOM 1696 O GLU A 112 29.598 1.523 -0.264 1.00 0.00 O ATOM 1697 CB GLU A 112 27.002 2.048 -2.445 1.00 0.00 C ATOM 1698 CG GLU A 112 26.205 1.652 -3.677 1.00 0.00 C ATOM 1699 CD GLU A 112 27.091 1.236 -4.835 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.950 2.045 -5.245 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.926 0.102 -5.331 1.00 0.00 O ATOM 0 H GLU A 112 27.398 0.378 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 112 28.408 0.501 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.317 2.185 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.480 3.010 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.535 0.830 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.579 2.490 -3.985 1.00 0.00 H new ATOM 1708 N SER A 113 29.914 2.595 -2.217 1.00 0.00 N ATOM 1709 CA SER A 113 31.077 3.339 -1.747 1.00 0.00 C ATOM 1710 C SER A 113 31.074 4.760 -2.302 1.00 0.00 C ATOM 1711 O SER A 113 30.838 4.973 -3.491 1.00 0.00 O ATOM 1712 CB SER A 113 32.366 2.622 -2.154 1.00 0.00 C ATOM 1713 OG SER A 113 32.378 2.345 -3.544 1.00 0.00 O ATOM 0 H SER A 113 29.652 2.789 -3.183 1.00 0.00 H new ATOM 0 HA SER A 113 31.028 3.393 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.226 3.239 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.461 1.692 -1.594 1.00 0.00 H new ATOM 0 HG SER A 113 33.213 1.888 -3.779 1.00 0.00 H new ATOM 1719 N ALA A 114 31.338 5.729 -1.432 1.00 0.00 N ATOM 1720 CA ALA A 114 31.369 7.130 -1.835 1.00 0.00 C ATOM 1721 C ALA A 114 32.350 7.925 -0.981 1.00 0.00 C ATOM 1722 O ALA A 114 32.147 8.095 0.221 1.00 0.00 O ATOM 1723 CB ALA A 114 29.976 7.735 -1.744 1.00 0.00 C ATOM 0 H ALA A 114 31.534 5.570 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 114 31.708 7.178 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.013 8.781 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.299 7.190 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.616 7.668 -0.717 1.00 0.00 H new ATOM 1729 N VAL A 115 33.416 8.410 -1.610 1.00 0.00 N ATOM 1730 CA VAL A 115 34.429 9.189 -0.907 1.00 0.00 C ATOM 1731 C VAL A 115 34.206 10.684 -1.102 1.00 0.00 C ATOM 1732 O VAL A 115 34.448 11.224 -2.182 1.00 0.00 O ATOM 1733 CB VAL A 115 35.848 8.826 -1.386 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.887 9.678 -0.673 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.120 7.345 -1.169 1.00 0.00 C ATOM 0 H VAL A 115 33.601 8.277 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 115 34.337 8.946 0.152 1.00 0.00 H new ATOM 0 HB VAL A 115 35.916 9.032 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.883 9.407 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.701 10.731 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.822 9.507 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.126 7.106 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.034 7.111 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.395 6.756 -1.731 1.00 0.00 H new ATOM 1745 N THR A 116 33.744 11.350 -0.048 1.00 0.00 N ATOM 1746 CA THR A 116 33.488 12.784 -0.102 1.00 0.00 C ATOM 1747 C THR A 116 34.634 13.522 -0.783 1.00 0.00 C ATOM 1748 O THR A 116 35.797 13.139 -0.651 1.00 0.00 O ATOM 1749 CB THR A 116 33.279 13.371 1.307 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.405 13.063 2.137 1.00 0.00 O ATOM 1751 CG2 THR A 116 32.010 12.821 1.940 1.00 0.00 C ATOM 0 H THR A 116 33.539 10.919 0.853 1.00 0.00 H new ATOM 0 HA THR A 116 32.576 12.920 -0.683 1.00 0.00 H new ATOM 0 HB THR A 116 33.180 14.453 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 116 34.111 12.525 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.884 13.250 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 116 31.152 13.082 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 116 32.084 11.736 2.019 1.00 0.00 H new ATOM 1759 N ARG A 117 34.300 14.583 -1.511 1.00 0.00 N ATOM 1760 CA ARG A 117 35.302 15.374 -2.213 1.00 0.00 C ATOM 1761 C ARG A 117 36.296 15.988 -1.231 1.00 0.00 C ATOM 1762 O ARG A 117 36.011 16.156 -0.045 1.00 0.00 O ATOM 1763 CB ARG A 117 34.630 16.478 -3.032 1.00 0.00 C ATOM 1764 CG ARG A 117 34.110 16.006 -4.380 1.00 0.00 C ATOM 1765 CD ARG A 117 32.907 16.819 -4.829 1.00 0.00 C ATOM 1766 NE ARG A 117 32.713 16.757 -6.276 1.00 0.00 N ATOM 1767 CZ ARG A 117 31.545 16.971 -6.871 1.00 0.00 C ATOM 1768 NH1 ARG A 117 30.472 17.260 -6.147 1.00 0.00 N ATOM 1769 NH2 ARG A 117 31.448 16.896 -8.192 1.00 0.00 N ATOM 0 H ARG A 117 33.343 14.914 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 117 35.845 14.711 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.801 16.892 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.343 17.287 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 117 34.902 16.085 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.836 14.953 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 117 32.012 16.450 -4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.038 17.858 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 117 33.519 16.537 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 117 30.543 17.318 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 117 29.576 17.424 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 117 32.271 16.674 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 117 30.550 17.061 -8.648 1.00 0.00 H new ATOM 1783 N PRO A 118 37.491 16.332 -1.735 1.00 0.00 N ATOM 1784 CA PRO A 118 38.550 16.932 -0.920 1.00 0.00 C ATOM 1785 C PRO A 118 38.214 18.356 -0.488 1.00 0.00 C ATOM 1786 O PRO A 118 38.974 18.989 0.245 1.00 0.00 O ATOM 1787 CB PRO A 118 39.762 16.930 -1.855 1.00 0.00 C ATOM 1788 CG PRO A 118 39.182 16.940 -3.227 1.00 0.00 C ATOM 1789 CD PRO A 118 37.899 16.161 -3.140 1.00 0.00 C ATOM 0 HA PRO A 118 38.709 16.383 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.394 17.802 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.384 16.050 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.997 17.960 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.867 16.486 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.146 16.548 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.049 15.111 -3.390 1.00 0.00 H new