USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 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 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.898 K(o=-0.84,f=-5.6!) USER MOD Set 2.2: A 54 ASN : amide:sc= 0.0609 K(o=-0.84,f=-0.19!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= 0.228 K(o=0.46,f=-1.8) USER MOD Set 3.2: A 46 SER OG : rot -107:sc= 0.233 USER MOD Set 4.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.183 USER MOD Single : A 53 GLN : amide:sc=-0.000175 X(o=-0.00017,f=-0.00017) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 8:sc= 0.212 USER MOD Single : A 70 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-2.6!) 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= -0.518 X(o=-0.52,f=-0.73) 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=-0.00561 USER MOD Single : A 87 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.86) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 15:sc= 0.445 USER MOD Single : A 93 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.047) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.44 K(o=-2.4,f=-15!) USER MOD Single : A 103 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.6!) 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 -166:sc= -0.0536 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.515 -9.726 -4.654 1.00 0.00 N ATOM 287 CA ASP A 23 2.096 -10.635 -3.672 1.00 0.00 C ATOM 288 C ASP A 23 2.784 -9.859 -2.554 1.00 0.00 C ATOM 289 O ASP A 23 4.001 -9.678 -2.569 1.00 0.00 O ATOM 290 CB ASP A 23 3.095 -11.576 -4.346 1.00 0.00 C ATOM 291 CG ASP A 23 2.428 -12.807 -4.929 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.718 -12.672 -5.947 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.617 -13.906 -4.366 1.00 0.00 O ATOM 0 HA ASP A 23 1.289 -11.225 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.617 -11.040 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.847 -11.883 -3.620 1.00 0.00 H new ATOM 298 N GLU A 24 1.996 -9.402 -1.585 1.00 0.00 N ATOM 299 CA GLU A 24 2.530 -8.643 -0.460 1.00 0.00 C ATOM 300 C GLU A 24 3.066 -9.578 0.620 1.00 0.00 C ATOM 301 O GLU A 24 4.050 -9.269 1.293 1.00 0.00 O ATOM 302 CB GLU A 24 1.451 -7.732 0.128 1.00 0.00 C ATOM 303 CG GLU A 24 1.889 -7.005 1.388 1.00 0.00 C ATOM 304 CD GLU A 24 0.782 -6.161 1.989 1.00 0.00 C ATOM 305 OE1 GLU A 24 0.114 -5.430 1.227 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.583 -6.230 3.220 1.00 0.00 O ATOM 0 H GLU A 24 0.986 -9.544 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 24 3.353 -8.029 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.159 -6.997 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.566 -8.328 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.226 -7.734 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.742 -6.367 1.157 1.00 0.00 H new ATOM 313 N THR A 25 2.412 -10.724 0.781 1.00 0.00 N ATOM 314 CA THR A 25 2.820 -11.703 1.781 1.00 0.00 C ATOM 315 C THR A 25 4.335 -11.874 1.796 1.00 0.00 C ATOM 316 O THR A 25 4.911 -12.289 2.802 1.00 0.00 O ATOM 317 CB THR A 25 2.163 -13.073 1.525 1.00 0.00 C ATOM 318 OG1 THR A 25 2.486 -13.533 0.208 1.00 0.00 O ATOM 319 CG2 THR A 25 0.653 -12.987 1.682 1.00 0.00 C ATOM 0 H THR A 25 1.597 -10.997 0.231 1.00 0.00 H new ATOM 0 HA THR A 25 2.490 -11.324 2.748 1.00 0.00 H new ATOM 0 HB THR A 25 2.549 -13.779 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.066 -14.405 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.212 -13.966 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.410 -12.666 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.253 -12.268 0.967 1.00 0.00 H new ATOM 327 N ARG A 26 4.974 -11.550 0.677 1.00 0.00 N ATOM 328 CA ARG A 26 6.422 -11.668 0.563 1.00 0.00 C ATOM 329 C ARG A 26 7.084 -10.294 0.601 1.00 0.00 C ATOM 330 O ARG A 26 6.533 -9.313 0.102 1.00 0.00 O ATOM 331 CB ARG A 26 6.796 -12.390 -0.733 1.00 0.00 C ATOM 332 CG ARG A 26 6.178 -11.771 -1.976 1.00 0.00 C ATOM 333 CD ARG A 26 6.772 -12.359 -3.246 1.00 0.00 C ATOM 334 NE ARG A 26 6.459 -13.777 -3.391 1.00 0.00 N ATOM 335 CZ ARG A 26 6.717 -14.478 -4.490 1.00 0.00 C ATOM 336 NH1 ARG A 26 7.290 -13.895 -5.533 1.00 0.00 N ATOM 337 NH2 ARG A 26 6.402 -15.766 -4.546 1.00 0.00 N ATOM 0 H ARG A 26 4.511 -11.204 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 26 6.782 -12.250 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.881 -12.390 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.483 -13.432 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.100 -11.934 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.337 -10.693 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.392 -11.814 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.854 -12.226 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 26 6.018 -14.256 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.534 -12.905 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.487 -14.436 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.961 -16.219 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.600 -16.303 -5.390 1.00 0.00 H new ATOM 351 N VAL A 27 8.271 -10.230 1.197 1.00 0.00 N ATOM 352 CA VAL A 27 9.009 -8.977 1.300 1.00 0.00 C ATOM 353 C VAL A 27 9.781 -8.687 0.018 1.00 0.00 C ATOM 354 O VAL A 27 10.223 -9.593 -0.688 1.00 0.00 O ATOM 355 CB VAL A 27 9.992 -9.001 2.485 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.266 -9.347 3.776 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.122 -9.985 2.219 1.00 0.00 C ATOM 0 H VAL A 27 8.742 -11.032 1.616 1.00 0.00 H new ATOM 0 HA VAL A 27 8.274 -8.189 1.464 1.00 0.00 H new ATOM 0 HB VAL A 27 10.424 -8.007 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.978 -9.359 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.496 -8.601 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.804 -10.329 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.808 -9.989 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.709 -10.984 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.660 -9.687 1.319 1.00 0.00 H new ATOM 367 N PRO A 28 9.948 -7.393 -0.292 1.00 0.00 N ATOM 368 CA PRO A 28 10.668 -6.952 -1.490 1.00 0.00 C ATOM 369 C PRO A 28 12.166 -7.225 -1.399 1.00 0.00 C ATOM 370 O PRO A 28 12.898 -6.501 -0.726 1.00 0.00 O ATOM 371 CB PRO A 28 10.401 -5.446 -1.531 1.00 0.00 C ATOM 372 CG PRO A 28 10.128 -5.071 -0.115 1.00 0.00 C ATOM 373 CD PRO A 28 9.447 -6.260 0.504 1.00 0.00 C ATOM 0 HA PRO A 28 10.336 -7.482 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.259 -4.902 -1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.552 -5.212 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.053 -4.833 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.494 -4.186 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.703 -6.366 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.362 -6.177 0.446 1.00 0.00 H new ATOM 381 N GLU A 29 12.614 -8.274 -2.082 1.00 0.00 N ATOM 382 CA GLU A 29 14.025 -8.642 -2.077 1.00 0.00 C ATOM 383 C GLU A 29 14.892 -7.479 -2.550 1.00 0.00 C ATOM 384 O GLU A 29 14.386 -6.402 -2.866 1.00 0.00 O ATOM 385 CB GLU A 29 14.260 -9.863 -2.968 1.00 0.00 C ATOM 386 CG GLU A 29 13.234 -10.966 -2.772 1.00 0.00 C ATOM 387 CD GLU A 29 13.586 -12.232 -3.530 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.453 -12.990 -3.050 1.00 0.00 O ATOM 389 OE2 GLU A 29 12.992 -12.463 -4.604 1.00 0.00 O ATOM 0 H GLU A 29 12.021 -8.883 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 29 14.306 -8.889 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.248 -9.548 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.254 -10.263 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.150 -11.195 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.257 -10.611 -3.100 1.00 0.00 H new ATOM 396 N VAL A 30 16.201 -7.704 -2.595 1.00 0.00 N ATOM 397 CA VAL A 30 17.139 -6.676 -3.030 1.00 0.00 C ATOM 398 C VAL A 30 16.628 -5.955 -4.272 1.00 0.00 C ATOM 399 O VAL A 30 16.179 -6.573 -5.238 1.00 0.00 O ATOM 400 CB VAL A 30 18.527 -7.273 -3.331 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.390 -8.661 -3.938 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.314 -6.354 -4.253 1.00 0.00 C ATOM 0 H VAL A 30 16.636 -8.589 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 30 17.228 -5.963 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 30 19.075 -7.365 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.380 -9.067 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.868 -9.314 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.823 -8.598 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.292 -6.792 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.772 -6.228 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.443 -5.383 -3.775 1.00 0.00 H new ATOM 412 N PRO A 31 16.697 -4.616 -4.250 1.00 0.00 N ATOM 413 CA PRO A 31 16.246 -3.781 -5.367 1.00 0.00 C ATOM 414 C PRO A 31 17.154 -3.905 -6.586 1.00 0.00 C ATOM 415 O PRO A 31 18.256 -4.448 -6.499 1.00 0.00 O ATOM 416 CB PRO A 31 16.308 -2.362 -4.797 1.00 0.00 C ATOM 417 CG PRO A 31 17.330 -2.432 -3.715 1.00 0.00 C ATOM 418 CD PRO A 31 17.221 -3.813 -3.132 1.00 0.00 C ATOM 0 HA PRO A 31 15.256 -4.071 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.591 -1.640 -5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.339 -2.050 -4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.330 -2.253 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.147 -1.672 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.188 -4.182 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.550 -3.835 -2.273 1.00 0.00 H new ATOM 426 N SER A 32 16.685 -3.398 -7.722 1.00 0.00 N ATOM 427 CA SER A 32 17.454 -3.455 -8.960 1.00 0.00 C ATOM 428 C SER A 32 18.916 -3.099 -8.708 1.00 0.00 C ATOM 429 O SER A 32 19.820 -3.857 -9.058 1.00 0.00 O ATOM 430 CB SER A 32 16.857 -2.505 -10.000 1.00 0.00 C ATOM 431 OG SER A 32 17.859 -2.008 -10.870 1.00 0.00 O ATOM 0 H SER A 32 15.776 -2.943 -7.811 1.00 0.00 H new ATOM 0 HA SER A 32 17.407 -4.475 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.094 -3.027 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.363 -1.674 -9.497 1.00 0.00 H new ATOM 0 HG SER A 32 17.452 -1.404 -11.526 1.00 0.00 H new ATOM 437 N SER A 33 19.139 -1.939 -8.098 1.00 0.00 N ATOM 438 CA SER A 33 20.491 -1.479 -7.803 1.00 0.00 C ATOM 439 C SER A 33 20.460 -0.216 -6.947 1.00 0.00 C ATOM 440 O SER A 33 19.391 0.291 -6.606 1.00 0.00 O ATOM 441 CB SER A 33 21.256 -1.211 -9.100 1.00 0.00 C ATOM 442 OG SER A 33 20.781 -0.039 -9.739 1.00 0.00 O ATOM 0 H SER A 33 18.401 -1.301 -7.799 1.00 0.00 H new ATOM 0 HA SER A 33 21.001 -2.264 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.319 -1.106 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.150 -2.063 -9.771 1.00 0.00 H new ATOM 0 HG SER A 33 21.287 0.111 -10.565 1.00 0.00 H new ATOM 448 N LEU A 34 21.641 0.286 -6.603 1.00 0.00 N ATOM 449 CA LEU A 34 21.751 1.490 -5.786 1.00 0.00 C ATOM 450 C LEU A 34 22.980 2.303 -6.178 1.00 0.00 C ATOM 451 O LEU A 34 24.111 1.823 -6.086 1.00 0.00 O ATOM 452 CB LEU A 34 21.821 1.120 -4.304 1.00 0.00 C ATOM 453 CG LEU A 34 22.654 2.048 -3.419 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.975 3.401 -3.275 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.886 1.418 -2.054 1.00 0.00 C ATOM 0 H LEU A 34 22.535 -0.121 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 34 20.864 2.100 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.805 1.090 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.226 0.111 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 34 23.622 2.200 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.583 4.048 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.862 3.858 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.993 3.269 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.481 2.093 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.927 1.235 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.417 0.474 -2.175 1.00 0.00 H new ATOM 467 N HIS A 35 22.753 3.538 -6.613 1.00 0.00 N ATOM 468 CA HIS A 35 23.843 4.420 -7.017 1.00 0.00 C ATOM 469 C HIS A 35 24.009 5.568 -6.025 1.00 0.00 C ATOM 470 O HIS A 35 23.038 6.028 -5.424 1.00 0.00 O ATOM 471 CB HIS A 35 23.587 4.975 -8.418 1.00 0.00 C ATOM 472 CG HIS A 35 24.525 6.075 -8.807 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.116 7.377 -9.006 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.859 6.063 -9.033 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.158 8.118 -9.339 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.229 7.344 -9.362 1.00 0.00 N ATOM 0 H HIS A 35 21.824 3.951 -6.695 1.00 0.00 H new ATOM 0 HA HIS A 35 24.764 3.836 -7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.671 4.164 -9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.563 5.346 -8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.512 5.205 -8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.138 9.176 -9.555 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.176 7.648 -9.587 1.00 0.00 H new ATOM 485 N VAL A 36 25.246 6.025 -5.858 1.00 0.00 N ATOM 486 CA VAL A 36 25.539 7.119 -4.939 1.00 0.00 C ATOM 487 C VAL A 36 26.539 8.095 -5.548 1.00 0.00 C ATOM 488 O VAL A 36 27.249 7.760 -6.496 1.00 0.00 O ATOM 489 CB VAL A 36 26.097 6.595 -3.603 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.034 5.808 -2.851 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.335 5.743 -3.840 1.00 0.00 C ATOM 0 H VAL A 36 26.061 5.655 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 36 24.598 7.637 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 36 26.384 7.449 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.447 5.446 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.179 6.453 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.713 4.960 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.716 5.381 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.077 4.894 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.101 6.343 -4.332 1.00 0.00 H new ATOM 501 N ARG A 37 26.590 9.303 -4.997 1.00 0.00 N ATOM 502 CA ARG A 37 27.503 10.328 -5.486 1.00 0.00 C ATOM 503 C ARG A 37 28.113 11.111 -4.327 1.00 0.00 C ATOM 504 O ARG A 37 27.442 11.890 -3.650 1.00 0.00 O ATOM 505 CB ARG A 37 26.772 11.284 -6.431 1.00 0.00 C ATOM 506 CG ARG A 37 27.665 11.877 -7.508 1.00 0.00 C ATOM 507 CD ARG A 37 28.829 12.647 -6.905 1.00 0.00 C ATOM 508 NE ARG A 37 29.835 12.992 -7.906 1.00 0.00 N ATOM 509 CZ ARG A 37 29.669 13.946 -8.816 1.00 0.00 C ATOM 510 NH1 ARG A 37 28.543 14.646 -8.850 1.00 0.00 N ATOM 511 NH2 ARG A 37 30.630 14.201 -9.694 1.00 0.00 N ATOM 0 H ARG A 37 26.009 9.596 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 37 28.307 9.832 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.948 10.752 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.334 12.094 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.046 11.080 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.079 12.541 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 28.457 13.558 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 37 29.290 12.049 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 37 30.713 12.472 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.802 14.453 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.418 15.378 -9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 37 31.497 13.665 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 37 30.502 14.933 -10.392 1.00 0.00 H new ATOM 525 N PRO A 38 29.417 10.899 -4.091 1.00 0.00 N ATOM 526 CA PRO A 38 30.146 11.574 -3.014 1.00 0.00 C ATOM 527 C PRO A 38 30.337 13.062 -3.288 1.00 0.00 C ATOM 528 O PRO A 38 30.950 13.447 -4.285 1.00 0.00 O ATOM 529 CB PRO A 38 31.498 10.856 -2.996 1.00 0.00 C ATOM 530 CG PRO A 38 31.662 10.324 -4.378 1.00 0.00 C ATOM 531 CD PRO A 38 30.278 9.983 -4.858 1.00 0.00 C ATOM 0 HA PRO A 38 29.610 11.526 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.306 11.540 -2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.510 10.053 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.129 11.064 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.305 9.444 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.175 10.139 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.030 8.940 -4.662 1.00 0.00 H new ATOM 539 N LEU A 39 29.810 13.895 -2.398 1.00 0.00 N ATOM 540 CA LEU A 39 29.923 15.342 -2.543 1.00 0.00 C ATOM 541 C LEU A 39 30.741 15.942 -1.404 1.00 0.00 C ATOM 542 O LEU A 39 30.807 15.380 -0.310 1.00 0.00 O ATOM 543 CB LEU A 39 28.534 15.981 -2.581 1.00 0.00 C ATOM 544 CG LEU A 39 27.891 16.109 -3.962 1.00 0.00 C ATOM 545 CD1 LEU A 39 27.228 14.801 -4.365 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.881 17.247 -3.978 1.00 0.00 C ATOM 0 H LEU A 39 29.300 13.593 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 39 30.437 15.549 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.869 15.395 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.602 16.976 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 39 28.674 16.335 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.776 14.911 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.976 14.008 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.457 14.545 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.434 17.323 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.101 17.052 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.384 18.183 -3.734 1.00 0.00 H new ATOM 558 N VAL A 40 31.360 17.089 -1.666 1.00 0.00 N ATOM 559 CA VAL A 40 32.170 17.767 -0.661 1.00 0.00 C ATOM 560 C VAL A 40 31.622 17.526 0.741 1.00 0.00 C ATOM 561 O VAL A 40 32.182 16.747 1.513 1.00 0.00 O ATOM 562 CB VAL A 40 32.233 19.284 -0.922 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.915 19.997 0.236 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.953 19.569 -2.232 1.00 0.00 C ATOM 0 H VAL A 40 31.316 17.568 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 40 33.175 17.351 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 40 31.215 19.664 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.950 21.068 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.354 19.819 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.930 19.616 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.989 20.645 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.968 19.176 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 40 32.418 19.090 -3.053 1.00 0.00 H new ATOM 574 N THR A 41 30.523 18.199 1.065 1.00 0.00 N ATOM 575 CA THR A 41 29.899 18.059 2.374 1.00 0.00 C ATOM 576 C THR A 41 28.534 17.390 2.264 1.00 0.00 C ATOM 577 O THR A 41 27.680 17.553 3.136 1.00 0.00 O ATOM 578 CB THR A 41 29.734 19.425 3.067 1.00 0.00 C ATOM 579 OG1 THR A 41 29.180 20.376 2.150 1.00 0.00 O ATOM 580 CG2 THR A 41 31.070 19.933 3.587 1.00 0.00 C ATOM 0 H THR A 41 30.046 18.847 0.438 1.00 0.00 H new ATOM 0 HA THR A 41 30.560 17.433 2.973 1.00 0.00 H new ATOM 0 HB THR A 41 29.057 19.299 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.077 21.241 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.928 20.899 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.475 19.221 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.766 20.044 2.755 1.00 0.00 H new ATOM 588 N SER A 42 28.335 16.636 1.188 1.00 0.00 N ATOM 589 CA SER A 42 27.071 15.944 0.962 1.00 0.00 C ATOM 590 C SER A 42 27.293 14.646 0.192 1.00 0.00 C ATOM 591 O SER A 42 28.425 14.293 -0.138 1.00 0.00 O ATOM 592 CB SER A 42 26.101 16.845 0.197 1.00 0.00 C ATOM 593 OG SER A 42 26.796 17.711 -0.684 1.00 0.00 O ATOM 0 H SER A 42 29.033 16.488 0.459 1.00 0.00 H new ATOM 0 HA SER A 42 26.640 15.701 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.400 16.232 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.513 17.433 0.902 1.00 0.00 H new ATOM 0 HG SER A 42 26.153 18.275 -1.162 1.00 0.00 H new ATOM 599 N ILE A 43 26.203 13.939 -0.091 1.00 0.00 N ATOM 600 CA ILE A 43 26.277 12.681 -0.823 1.00 0.00 C ATOM 601 C ILE A 43 24.926 12.316 -1.427 1.00 0.00 C ATOM 602 O ILE A 43 23.997 11.937 -0.713 1.00 0.00 O ATOM 603 CB ILE A 43 26.750 11.529 0.084 1.00 0.00 C ATOM 604 CG1 ILE A 43 28.130 11.843 0.666 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.782 10.222 -0.694 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.751 10.681 1.409 1.00 0.00 C ATOM 0 H ILE A 43 25.259 14.217 0.176 1.00 0.00 H new ATOM 0 HA ILE A 43 27.003 12.824 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 43 26.045 11.422 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.796 12.145 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 43 28.045 12.693 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 43 27.118 9.417 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.783 9.995 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.468 10.316 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.727 10.975 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 43 28.105 10.393 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.868 9.836 0.730 1.00 0.00 H new ATOM 618 N VAL A 44 24.823 12.431 -2.747 1.00 0.00 N ATOM 619 CA VAL A 44 23.586 12.110 -3.448 1.00 0.00 C ATOM 620 C VAL A 44 23.381 10.602 -3.540 1.00 0.00 C ATOM 621 O VAL A 44 24.190 9.889 -4.135 1.00 0.00 O ATOM 622 CB VAL A 44 23.575 12.705 -4.868 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.295 12.324 -5.598 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.736 14.217 -4.813 1.00 0.00 C ATOM 0 H VAL A 44 25.582 12.744 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 44 22.773 12.550 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 44 24.418 12.292 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.306 12.754 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.226 11.239 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.435 12.707 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.726 14.621 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.915 14.650 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.683 14.465 -4.333 1.00 0.00 H new ATOM 634 N VAL A 45 22.293 10.120 -2.946 1.00 0.00 N ATOM 635 CA VAL A 45 21.981 8.696 -2.962 1.00 0.00 C ATOM 636 C VAL A 45 20.791 8.405 -3.870 1.00 0.00 C ATOM 637 O VAL A 45 19.641 8.635 -3.497 1.00 0.00 O ATOM 638 CB VAL A 45 21.672 8.174 -1.546 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.282 6.704 -1.593 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.865 8.389 -0.628 1.00 0.00 C ATOM 0 H VAL A 45 21.613 10.695 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 45 22.862 8.182 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 45 20.829 8.736 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.067 6.352 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.396 6.582 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.103 6.123 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.630 8.015 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.729 7.853 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.093 9.453 -0.571 1.00 0.00 H new ATOM 650 N SER A 46 21.077 7.895 -5.064 1.00 0.00 N ATOM 651 CA SER A 46 20.030 7.575 -6.028 1.00 0.00 C ATOM 652 C SER A 46 19.873 6.064 -6.177 1.00 0.00 C ATOM 653 O SER A 46 20.847 5.348 -6.410 1.00 0.00 O ATOM 654 CB SER A 46 20.349 8.202 -7.387 1.00 0.00 C ATOM 655 OG SER A 46 21.175 7.349 -8.161 1.00 0.00 O ATOM 0 H SER A 46 22.024 7.695 -5.387 1.00 0.00 H new ATOM 0 HA SER A 46 19.091 7.986 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.422 8.402 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.847 9.161 -7.241 1.00 0.00 H new ATOM 0 HG SER A 46 22.082 7.718 -8.199 1.00 0.00 H new ATOM 661 N TRP A 47 18.641 5.588 -6.041 1.00 0.00 N ATOM 662 CA TRP A 47 18.355 4.163 -6.160 1.00 0.00 C ATOM 663 C TRP A 47 17.217 3.917 -7.145 1.00 0.00 C ATOM 664 O TRP A 47 16.683 4.853 -7.739 1.00 0.00 O ATOM 665 CB TRP A 47 17.998 3.578 -4.793 1.00 0.00 C ATOM 666 CG TRP A 47 16.780 4.200 -4.180 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.479 3.854 -4.410 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.751 5.276 -3.236 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.642 4.652 -3.667 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.398 5.531 -2.938 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.735 6.048 -2.613 1.00 0.00 C ATOM 672 CZ2 TRP A 47 15.007 6.526 -2.045 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.346 7.035 -1.727 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.992 7.267 -1.450 1.00 0.00 C ATOM 0 H TRP A 47 17.824 6.168 -5.848 1.00 0.00 H new ATOM 0 HA TRP A 47 19.250 3.668 -6.537 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.836 2.505 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.843 3.710 -4.118 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.155 3.069 -5.077 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.623 4.598 -3.660 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.781 5.877 -2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.964 6.706 -1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.098 7.638 -1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.720 8.046 -0.753 1.00 0.00 H new ATOM 685 N THR A 48 16.851 2.650 -7.314 1.00 0.00 N ATOM 686 CA THR A 48 15.777 2.281 -8.227 1.00 0.00 C ATOM 687 C THR A 48 14.903 1.181 -7.634 1.00 0.00 C ATOM 688 O THR A 48 15.346 0.381 -6.809 1.00 0.00 O ATOM 689 CB THR A 48 16.332 1.804 -9.583 1.00 0.00 C ATOM 690 OG1 THR A 48 17.508 1.013 -9.380 1.00 0.00 O ATOM 691 CG2 THR A 48 16.659 2.988 -10.480 1.00 0.00 C ATOM 0 H THR A 48 17.283 1.863 -6.830 1.00 0.00 H new ATOM 0 HA THR A 48 15.174 3.176 -8.383 1.00 0.00 H new ATOM 0 HB THR A 48 15.568 1.199 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.854 0.712 -10.246 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.049 2.627 -11.432 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.755 3.571 -10.656 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.407 3.616 -9.996 1.00 0.00 H new ATOM 699 N PRO A 49 13.633 1.138 -8.061 1.00 0.00 N ATOM 700 CA PRO A 49 12.671 0.140 -7.585 1.00 0.00 C ATOM 701 C PRO A 49 12.992 -1.262 -8.092 1.00 0.00 C ATOM 702 O PRO A 49 13.668 -1.442 -9.105 1.00 0.00 O ATOM 703 CB PRO A 49 11.340 0.626 -8.164 1.00 0.00 C ATOM 704 CG PRO A 49 11.717 1.419 -9.367 1.00 0.00 C ATOM 705 CD PRO A 49 13.038 2.061 -9.043 1.00 0.00 C ATOM 0 HA PRO A 49 12.674 0.057 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.694 -0.211 -8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.794 1.235 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.799 0.779 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.961 2.172 -9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.664 2.163 -9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.908 3.061 -8.628 1.00 0.00 H new ATOM 713 N PRO A 50 12.496 -2.280 -7.373 1.00 0.00 N ATOM 714 CA PRO A 50 12.716 -3.684 -7.732 1.00 0.00 C ATOM 715 C PRO A 50 11.966 -4.084 -8.998 1.00 0.00 C ATOM 716 O PRO A 50 10.755 -3.889 -9.100 1.00 0.00 O ATOM 717 CB PRO A 50 12.172 -4.449 -6.524 1.00 0.00 C ATOM 718 CG PRO A 50 11.167 -3.532 -5.916 1.00 0.00 C ATOM 719 CD PRO A 50 11.681 -2.139 -6.155 1.00 0.00 C ATOM 0 HA PRO A 50 13.765 -3.890 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.716 -5.392 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.966 -4.690 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.187 -3.670 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.053 -3.729 -4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.866 -1.429 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.274 -1.780 -5.314 1.00 0.00 H new ATOM 727 N GLU A 51 12.693 -4.643 -9.960 1.00 0.00 N ATOM 728 CA GLU A 51 12.094 -5.070 -11.220 1.00 0.00 C ATOM 729 C GLU A 51 10.822 -5.875 -10.972 1.00 0.00 C ATOM 730 O GLU A 51 9.934 -5.930 -11.822 1.00 0.00 O ATOM 731 CB GLU A 51 13.090 -5.904 -12.027 1.00 0.00 C ATOM 732 CG GLU A 51 13.958 -5.080 -12.962 1.00 0.00 C ATOM 733 CD GLU A 51 15.015 -5.912 -13.663 1.00 0.00 C ATOM 734 OE1 GLU A 51 16.109 -6.088 -13.089 1.00 0.00 O ATOM 735 OE2 GLU A 51 14.746 -6.387 -14.786 1.00 0.00 O ATOM 0 H GLU A 51 13.697 -4.811 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 51 11.833 -4.178 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.732 -6.453 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.542 -6.644 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.326 -4.599 -13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.443 -4.286 -12.395 1.00 0.00 H new ATOM 742 N ASN A 52 10.742 -6.498 -9.801 1.00 0.00 N ATOM 743 CA ASN A 52 9.579 -7.302 -9.441 1.00 0.00 C ATOM 744 C ASN A 52 8.490 -6.434 -8.817 1.00 0.00 C ATOM 745 O ASN A 52 8.499 -6.181 -7.613 1.00 0.00 O ATOM 746 CB ASN A 52 9.982 -8.412 -8.467 1.00 0.00 C ATOM 747 CG ASN A 52 9.023 -9.586 -8.501 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.807 -9.412 -8.417 1.00 0.00 O ATOM 749 ND2 ASN A 52 9.568 -10.791 -8.625 1.00 0.00 N ATOM 0 H ASN A 52 11.468 -6.462 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 52 9.184 -7.752 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.986 -8.759 -8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.022 -8.008 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.973 -11.619 -8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.581 -10.888 -8.691 1.00 0.00 H new ATOM 756 N GLN A 53 7.554 -5.983 -9.646 1.00 0.00 N ATOM 757 CA GLN A 53 6.458 -5.144 -9.176 1.00 0.00 C ATOM 758 C GLN A 53 5.391 -5.982 -8.479 1.00 0.00 C ATOM 759 O GLN A 53 4.561 -5.456 -7.738 1.00 0.00 O ATOM 760 CB GLN A 53 5.838 -4.377 -10.345 1.00 0.00 C ATOM 761 CG GLN A 53 6.698 -3.227 -10.843 1.00 0.00 C ATOM 762 CD GLN A 53 6.625 -2.010 -9.943 1.00 0.00 C ATOM 763 OE1 GLN A 53 5.654 -1.253 -9.981 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.653 -1.815 -9.126 1.00 0.00 N ATOM 0 H GLN A 53 7.533 -6.184 -10.646 1.00 0.00 H new ATOM 0 HA GLN A 53 6.862 -4.432 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.659 -5.069 -11.168 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.867 -3.988 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.734 -3.558 -10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.380 -2.950 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.437 -2.468 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.659 -1.012 -8.496 1.00 0.00 H new ATOM 773 N ASN A 54 5.420 -7.289 -8.721 1.00 0.00 N ATOM 774 CA ASN A 54 4.455 -8.199 -8.117 1.00 0.00 C ATOM 775 C ASN A 54 4.453 -8.061 -6.597 1.00 0.00 C ATOM 776 O ASN A 54 3.434 -8.286 -5.944 1.00 0.00 O ATOM 777 CB ASN A 54 4.771 -9.644 -8.508 1.00 0.00 C ATOM 778 CG ASN A 54 5.013 -9.800 -9.997 1.00 0.00 C ATOM 779 OD1 ASN A 54 6.100 -9.505 -10.494 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.999 -10.266 -10.716 1.00 0.00 N ATOM 0 H ASN A 54 6.101 -7.741 -9.331 1.00 0.00 H new ATOM 0 HA ASN A 54 3.465 -7.937 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.652 -9.981 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.944 -10.288 -8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.103 -10.392 -11.723 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.116 -10.498 -10.262 1.00 0.00 H new ATOM 787 N ILE A 55 5.602 -7.689 -6.042 1.00 0.00 N ATOM 788 CA ILE A 55 5.732 -7.519 -4.600 1.00 0.00 C ATOM 789 C ILE A 55 5.382 -6.096 -4.180 1.00 0.00 C ATOM 790 O ILE A 55 5.768 -5.130 -4.838 1.00 0.00 O ATOM 791 CB ILE A 55 7.159 -7.847 -4.121 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.663 -9.128 -4.789 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.191 -7.984 -2.607 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.162 -9.306 -4.700 1.00 0.00 C ATOM 0 H ILE A 55 6.455 -7.500 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 55 5.032 -8.214 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 55 7.819 -7.028 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.175 -9.986 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.368 -9.121 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.206 -8.216 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.870 -7.048 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.520 -8.787 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.448 -10.234 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.658 -8.467 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.462 -9.345 -3.653 1.00 0.00 H new ATOM 806 N VAL A 56 4.648 -5.974 -3.079 1.00 0.00 N ATOM 807 CA VAL A 56 4.247 -4.668 -2.568 1.00 0.00 C ATOM 808 C VAL A 56 5.369 -4.026 -1.760 1.00 0.00 C ATOM 809 O VAL A 56 5.983 -4.670 -0.910 1.00 0.00 O ATOM 810 CB VAL A 56 2.988 -4.772 -1.686 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.624 -3.411 -1.113 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.828 -5.353 -2.481 1.00 0.00 C ATOM 0 H VAL A 56 4.319 -6.763 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 56 4.024 -4.044 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 56 3.202 -5.444 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.732 -3.504 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.450 -3.038 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.428 -2.714 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.947 -5.420 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.611 -4.708 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.094 -6.348 -2.838 1.00 0.00 H new ATOM 822 N VAL A 57 5.631 -2.751 -2.031 1.00 0.00 N ATOM 823 CA VAL A 57 6.678 -2.020 -1.328 1.00 0.00 C ATOM 824 C VAL A 57 6.105 -0.819 -0.584 1.00 0.00 C ATOM 825 O VAL A 57 5.357 -0.023 -1.152 1.00 0.00 O ATOM 826 CB VAL A 57 7.773 -1.535 -2.297 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.793 -0.677 -1.566 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.447 -2.720 -2.973 1.00 0.00 C ATOM 0 H VAL A 57 5.132 -2.203 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 57 7.119 -2.712 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 57 7.306 -0.922 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.558 -0.344 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.295 0.191 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.258 -1.262 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.218 -2.360 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.901 -3.360 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.705 -3.290 -3.533 1.00 0.00 H new ATOM 838 N ARG A 58 6.463 -0.693 0.690 1.00 0.00 N ATOM 839 CA ARG A 58 5.983 0.412 1.512 1.00 0.00 C ATOM 840 C ARG A 58 7.048 1.498 1.638 1.00 0.00 C ATOM 841 O ARG A 58 6.732 2.675 1.805 1.00 0.00 O ATOM 842 CB ARG A 58 5.588 -0.093 2.901 1.00 0.00 C ATOM 843 CG ARG A 58 4.241 -0.796 2.933 1.00 0.00 C ATOM 844 CD ARG A 58 3.096 0.199 3.039 1.00 0.00 C ATOM 845 NE ARG A 58 2.670 0.685 1.730 1.00 0.00 N ATOM 846 CZ ARG A 58 1.961 -0.040 0.872 1.00 0.00 C ATOM 847 NH1 ARG A 58 1.600 -1.277 1.184 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.611 0.473 -0.301 1.00 0.00 N ATOM 0 H ARG A 58 7.083 -1.342 1.175 1.00 0.00 H new ATOM 0 HA ARG A 58 5.107 0.841 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.355 -0.779 3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.565 0.750 3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.121 -1.396 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.208 -1.482 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.252 -0.272 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.405 1.043 3.656 1.00 0.00 H new ATOM 0 HE ARG A 58 2.931 1.633 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.867 -1.674 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.056 -1.831 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.886 1.425 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.067 -0.084 -0.959 1.00 0.00 H new ATOM 862 N GLY A 59 8.312 1.093 1.556 1.00 0.00 N ATOM 863 CA GLY A 59 9.404 2.043 1.663 1.00 0.00 C ATOM 864 C GLY A 59 10.759 1.366 1.703 1.00 0.00 C ATOM 865 O GLY A 59 10.849 0.138 1.696 1.00 0.00 O ATOM 0 H GLY A 59 8.599 0.124 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.369 2.729 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.274 2.642 2.564 1.00 0.00 H new ATOM 869 N TYR A 60 11.818 2.168 1.743 1.00 0.00 N ATOM 870 CA TYR A 60 13.176 1.639 1.780 1.00 0.00 C ATOM 871 C TYR A 60 13.935 2.172 2.992 1.00 0.00 C ATOM 872 O TYR A 60 13.518 3.143 3.622 1.00 0.00 O ATOM 873 CB TYR A 60 13.923 2.003 0.496 1.00 0.00 C ATOM 874 CG TYR A 60 13.105 1.796 -0.759 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.223 2.771 -1.206 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.216 0.624 -1.498 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.474 2.585 -2.352 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.472 0.430 -2.646 1.00 0.00 C ATOM 879 CZ TYR A 60 11.602 1.414 -3.068 1.00 0.00 C ATOM 880 OH TYR A 60 10.858 1.225 -4.211 1.00 0.00 O ATOM 0 H TYR A 60 11.762 3.186 1.751 1.00 0.00 H new ATOM 0 HA TYR A 60 13.114 0.554 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.233 3.046 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.831 1.403 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.121 3.690 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.896 -0.148 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.792 3.353 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.571 -0.486 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 60 11.067 0.349 -4.596 1.00 0.00 H new ATOM 890 N ALA A 61 15.054 1.529 3.310 1.00 0.00 N ATOM 891 CA ALA A 61 15.874 1.939 4.443 1.00 0.00 C ATOM 892 C ALA A 61 17.293 2.278 4.000 1.00 0.00 C ATOM 893 O ALA A 61 18.025 1.415 3.514 1.00 0.00 O ATOM 894 CB ALA A 61 15.897 0.845 5.501 1.00 0.00 C ATOM 0 H ALA A 61 15.413 0.723 2.799 1.00 0.00 H new ATOM 0 HA ALA A 61 15.431 2.837 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.513 1.165 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.882 0.653 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.313 -0.067 5.072 1.00 0.00 H new ATOM 900 N ILE A 62 17.675 3.539 4.169 1.00 0.00 N ATOM 901 CA ILE A 62 19.007 3.992 3.787 1.00 0.00 C ATOM 902 C ILE A 62 19.935 4.053 4.995 1.00 0.00 C ATOM 903 O ILE A 62 19.516 4.410 6.095 1.00 0.00 O ATOM 904 CB ILE A 62 18.960 5.378 3.118 1.00 0.00 C ATOM 905 CG1 ILE A 62 17.884 5.408 2.031 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.320 5.731 2.534 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.320 6.789 1.776 1.00 0.00 C ATOM 0 H ILE A 62 17.081 4.266 4.568 1.00 0.00 H new ATOM 0 HA ILE A 62 19.394 3.266 3.072 1.00 0.00 H new ATOM 0 HB ILE A 62 18.707 6.121 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.305 5.020 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.072 4.740 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.270 6.714 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.065 5.746 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.600 4.987 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.563 6.734 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.869 7.172 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.121 7.456 1.459 1.00 0.00 H new ATOM 919 N GLY A 63 21.200 3.705 4.781 1.00 0.00 N ATOM 920 CA GLY A 63 22.169 3.730 5.861 1.00 0.00 C ATOM 921 C GLY A 63 23.500 4.315 5.433 1.00 0.00 C ATOM 922 O GLY A 63 23.924 4.142 4.290 1.00 0.00 O ATOM 0 H GLY A 63 21.571 3.406 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.769 4.314 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.323 2.716 6.230 1.00 0.00 H new ATOM 926 N TYR A 64 24.161 5.012 6.352 1.00 0.00 N ATOM 927 CA TYR A 64 25.450 5.629 6.062 1.00 0.00 C ATOM 928 C TYR A 64 26.332 5.658 7.307 1.00 0.00 C ATOM 929 O TYR A 64 25.840 5.579 8.432 1.00 0.00 O ATOM 930 CB TYR A 64 25.251 7.049 5.531 1.00 0.00 C ATOM 931 CG TYR A 64 24.506 7.954 6.485 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.161 7.744 6.766 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.146 9.020 7.106 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.476 8.569 7.637 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.469 9.849 7.980 1.00 0.00 C ATOM 936 CZ TYR A 64 23.134 9.619 8.242 1.00 0.00 C ATOM 937 OH TYR A 64 22.456 10.443 9.110 1.00 0.00 O ATOM 0 H TYR A 64 23.825 5.163 7.303 1.00 0.00 H new ATOM 0 HA TYR A 64 25.948 5.030 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.226 7.487 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.706 7.002 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.643 6.922 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.191 9.204 6.902 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.431 8.393 7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.982 10.672 8.455 1.00 0.00 H new ATOM 0 HH TYR A 64 23.065 11.132 9.450 1.00 0.00 H new ATOM 947 N GLY A 65 27.639 5.773 7.095 1.00 0.00 N ATOM 948 CA GLY A 65 28.570 5.812 8.208 1.00 0.00 C ATOM 949 C GLY A 65 29.956 5.333 7.822 1.00 0.00 C ATOM 950 O GLY A 65 30.101 4.461 6.965 1.00 0.00 O ATOM 0 H GLY A 65 28.070 5.840 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.634 6.831 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.188 5.193 9.019 1.00 0.00 H new ATOM 954 N ILE A 66 30.975 5.906 8.453 1.00 0.00 N ATOM 955 CA ILE A 66 32.355 5.532 8.170 1.00 0.00 C ATOM 956 C ILE A 66 32.661 4.128 8.680 1.00 0.00 C ATOM 957 O ILE A 66 32.730 3.896 9.886 1.00 0.00 O ATOM 958 CB ILE A 66 33.348 6.524 8.804 1.00 0.00 C ATOM 959 CG1 ILE A 66 33.015 7.956 8.378 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.775 6.168 8.413 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.449 9.001 9.382 1.00 0.00 C ATOM 0 H ILE A 66 30.871 6.631 9.163 1.00 0.00 H new ATOM 0 HA ILE A 66 32.472 5.555 7.087 1.00 0.00 H new ATOM 0 HB ILE A 66 33.262 6.458 9.889 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.494 8.162 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.940 8.039 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.465 6.878 8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 66 35.007 5.162 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.876 6.209 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.181 9.992 9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.950 8.820 10.334 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.529 8.945 9.522 1.00 0.00 H new ATOM 973 N GLY A 67 32.844 3.194 7.752 1.00 0.00 N ATOM 974 CA GLY A 67 33.142 1.824 8.127 1.00 0.00 C ATOM 975 C GLY A 67 31.916 0.933 8.091 1.00 0.00 C ATOM 976 O GLY A 67 31.954 -0.165 7.536 1.00 0.00 O ATOM 0 H GLY A 67 32.791 3.361 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.899 1.423 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.568 1.810 9.130 1.00 0.00 H new ATOM 980 N SER A 68 30.825 1.406 8.686 1.00 0.00 N ATOM 981 CA SER A 68 29.584 0.642 8.724 1.00 0.00 C ATOM 982 C SER A 68 28.373 1.571 8.704 1.00 0.00 C ATOM 983 O SER A 68 28.358 2.626 9.339 1.00 0.00 O ATOM 984 CB SER A 68 29.542 -0.242 9.972 1.00 0.00 C ATOM 985 OG SER A 68 30.399 -1.362 9.833 1.00 0.00 O ATOM 0 H SER A 68 30.776 2.314 9.148 1.00 0.00 H new ATOM 0 HA SER A 68 29.549 0.009 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.838 0.341 10.844 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.521 -0.581 10.147 1.00 0.00 H new ATOM 0 HG SER A 68 30.934 -1.266 9.017 1.00 0.00 H new ATOM 991 N PRO A 69 27.334 1.170 7.958 1.00 0.00 N ATOM 992 CA PRO A 69 26.099 1.951 7.836 1.00 0.00 C ATOM 993 C PRO A 69 25.291 1.963 9.130 1.00 0.00 C ATOM 994 O PRO A 69 24.487 2.866 9.363 1.00 0.00 O ATOM 995 CB PRO A 69 25.327 1.226 6.731 1.00 0.00 C ATOM 996 CG PRO A 69 25.838 -0.173 6.768 1.00 0.00 C ATOM 997 CD PRO A 69 27.283 -0.076 7.175 1.00 0.00 C ATOM 0 HA PRO A 69 26.300 2.999 7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.252 1.260 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.502 1.686 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.272 -0.776 7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.738 -0.651 5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.592 -0.936 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.943 -0.033 6.308 1.00 0.00 H new ATOM 1005 N HIS A 70 25.511 0.956 9.969 1.00 0.00 N ATOM 1006 CA HIS A 70 24.804 0.852 11.240 1.00 0.00 C ATOM 1007 C HIS A 70 24.766 2.201 11.953 1.00 0.00 C ATOM 1008 O HIS A 70 23.872 2.464 12.756 1.00 0.00 O ATOM 1009 CB HIS A 70 25.472 -0.192 12.135 1.00 0.00 C ATOM 1010 CG HIS A 70 26.582 0.361 12.975 1.00 0.00 C ATOM 1011 ND1 HIS A 70 26.366 1.181 14.063 1.00 0.00 N ATOM 1012 CD2 HIS A 70 27.923 0.206 12.883 1.00 0.00 C ATOM 1013 CE1 HIS A 70 27.527 1.508 14.602 1.00 0.00 C ATOM 1014 NE2 HIS A 70 28.488 0.929 13.905 1.00 0.00 N ATOM 0 H HIS A 70 26.173 0.201 9.792 1.00 0.00 H new ATOM 0 HA HIS A 70 23.780 0.541 11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 70 24.719 -0.634 12.788 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.865 -0.995 11.512 1.00 0.00 H new ATOM 0 HD2 HIS A 70 28.451 -0.378 12.143 1.00 0.00 H new ATOM 0 HE1 HIS A 70 27.667 2.141 15.466 1.00 0.00 H new ATOM 0 HE2 HIS A 70 29.487 1.006 14.095 1.00 0.00 H new ATOM 1023 N ALA A 71 25.742 3.051 11.653 1.00 0.00 N ATOM 1024 CA ALA A 71 25.819 4.372 12.263 1.00 0.00 C ATOM 1025 C ALA A 71 24.440 5.016 12.354 1.00 0.00 C ATOM 1026 O ALA A 71 23.879 5.150 13.441 1.00 0.00 O ATOM 1027 CB ALA A 71 26.769 5.263 11.476 1.00 0.00 C ATOM 0 H ALA A 71 26.491 2.848 10.991 1.00 0.00 H new ATOM 0 HA ALA A 71 26.204 4.255 13.276 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.816 6.247 11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.763 4.817 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.408 5.365 10.452 1.00 0.00 H new ATOM 1033 N GLN A 72 23.900 5.413 11.206 1.00 0.00 N ATOM 1034 CA GLN A 72 22.587 6.044 11.158 1.00 0.00 C ATOM 1035 C GLN A 72 21.735 5.444 10.044 1.00 0.00 C ATOM 1036 O GLN A 72 22.254 5.018 9.012 1.00 0.00 O ATOM 1037 CB GLN A 72 22.730 7.553 10.951 1.00 0.00 C ATOM 1038 CG GLN A 72 23.114 8.306 12.214 1.00 0.00 C ATOM 1039 CD GLN A 72 23.597 9.715 11.929 1.00 0.00 C ATOM 1040 OE1 GLN A 72 22.850 10.682 12.078 1.00 0.00 O ATOM 1041 NE2 GLN A 72 24.853 9.838 11.517 1.00 0.00 N ATOM 0 H GLN A 72 24.352 5.309 10.297 1.00 0.00 H new ATOM 0 HA GLN A 72 22.089 5.861 12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.484 7.737 10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.788 7.950 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.254 8.349 12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.897 7.756 12.736 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.437 9.009 11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.234 10.761 11.310 1.00 0.00 H new ATOM 1050 N THR A 73 20.423 5.414 10.259 1.00 0.00 N ATOM 1051 CA THR A 73 19.500 4.866 9.275 1.00 0.00 C ATOM 1052 C THR A 73 18.366 5.841 8.981 1.00 0.00 C ATOM 1053 O THR A 73 17.664 6.284 9.891 1.00 0.00 O ATOM 1054 CB THR A 73 18.901 3.528 9.750 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.950 2.599 10.044 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.979 2.942 8.692 1.00 0.00 C ATOM 0 H THR A 73 19.977 5.763 11.107 1.00 0.00 H new ATOM 0 HA THR A 73 20.074 4.696 8.364 1.00 0.00 H new ATOM 0 HB THR A 73 18.319 3.715 10.652 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.561 1.752 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.568 1.998 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.165 3.639 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.542 2.768 7.775 1.00 0.00 H new ATOM 1064 N ILE A 74 18.191 6.171 7.706 1.00 0.00 N ATOM 1065 CA ILE A 74 17.140 7.094 7.293 1.00 0.00 C ATOM 1066 C ILE A 74 16.062 6.374 6.491 1.00 0.00 C ATOM 1067 O ILE A 74 16.293 5.950 5.358 1.00 0.00 O ATOM 1068 CB ILE A 74 17.706 8.251 6.450 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.747 9.034 7.252 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.584 9.169 5.989 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.689 9.846 6.390 1.00 0.00 C ATOM 0 H ILE A 74 18.763 5.813 6.941 1.00 0.00 H new ATOM 0 HA ILE A 74 16.701 7.501 8.204 1.00 0.00 H new ATOM 0 HB ILE A 74 18.193 7.834 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.234 9.702 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.329 8.337 7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.000 9.982 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.876 8.603 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.071 9.581 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.399 10.375 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.230 9.181 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.117 10.568 5.806 1.00 0.00 H new ATOM 1083 N LYS A 75 14.880 6.241 7.084 1.00 0.00 N ATOM 1084 CA LYS A 75 13.763 5.576 6.424 1.00 0.00 C ATOM 1085 C LYS A 75 12.819 6.595 5.793 1.00 0.00 C ATOM 1086 O LYS A 75 12.311 7.489 6.471 1.00 0.00 O ATOM 1087 CB LYS A 75 12.997 4.707 7.424 1.00 0.00 C ATOM 1088 CG LYS A 75 13.647 3.358 7.680 1.00 0.00 C ATOM 1089 CD LYS A 75 12.893 2.567 8.735 1.00 0.00 C ATOM 1090 CE LYS A 75 13.820 1.636 9.502 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.180 1.113 10.741 1.00 0.00 N ATOM 0 H LYS A 75 14.671 6.585 8.021 1.00 0.00 H new ATOM 0 HA LYS A 75 14.166 4.942 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.911 5.244 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.984 4.549 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.681 2.788 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.678 3.505 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.409 3.254 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.103 1.985 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.108 0.802 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.735 2.168 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.844 0.483 11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.928 1.907 11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.321 0.583 10.491 1.00 0.00 H new ATOM 1105 N VAL A 76 12.587 6.454 4.492 1.00 0.00 N ATOM 1106 CA VAL A 76 11.701 7.360 3.771 1.00 0.00 C ATOM 1107 C VAL A 76 10.574 6.597 3.084 1.00 0.00 C ATOM 1108 O VAL A 76 10.453 5.381 3.234 1.00 0.00 O ATOM 1109 CB VAL A 76 12.472 8.175 2.715 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.472 9.106 3.384 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.169 7.248 1.731 1.00 0.00 C ATOM 0 H VAL A 76 13.000 5.721 3.916 1.00 0.00 H new ATOM 0 HA VAL A 76 11.277 8.042 4.508 1.00 0.00 H new ATOM 0 HB VAL A 76 11.759 8.785 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.007 9.673 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.944 9.794 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.183 8.519 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.709 7.841 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.871 6.610 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.427 6.628 1.227 1.00 0.00 H new ATOM 1121 N ASP A 77 9.752 7.319 2.331 1.00 0.00 N ATOM 1122 CA ASP A 77 8.635 6.710 1.619 1.00 0.00 C ATOM 1123 C ASP A 77 9.130 5.875 0.442 1.00 0.00 C ATOM 1124 O ASP A 77 10.335 5.749 0.221 1.00 0.00 O ATOM 1125 CB ASP A 77 7.668 7.787 1.125 1.00 0.00 C ATOM 1126 CG ASP A 77 7.215 8.712 2.238 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.276 8.298 3.414 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.798 9.849 1.932 1.00 0.00 O ATOM 0 H ASP A 77 9.838 8.327 2.198 1.00 0.00 H new ATOM 0 HA ASP A 77 8.111 6.053 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.150 8.373 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.797 7.311 0.675 1.00 0.00 H new ATOM 1133 N TYR A 78 8.194 5.308 -0.310 1.00 0.00 N ATOM 1134 CA TYR A 78 8.535 4.483 -1.463 1.00 0.00 C ATOM 1135 C TYR A 78 8.543 5.312 -2.743 1.00 0.00 C ATOM 1136 O TYR A 78 8.881 4.815 -3.818 1.00 0.00 O ATOM 1137 CB TYR A 78 7.545 3.324 -1.599 1.00 0.00 C ATOM 1138 CG TYR A 78 6.122 3.770 -1.851 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.280 4.102 -0.797 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.621 3.860 -3.144 1.00 0.00 C ATOM 1141 CE1 TYR A 78 3.979 4.509 -1.024 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.322 4.268 -3.380 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.505 4.591 -2.317 1.00 0.00 C ATOM 1144 OH TYR A 78 2.211 4.997 -2.546 1.00 0.00 O ATOM 0 H TYR A 78 7.193 5.404 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 78 9.536 4.081 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.865 2.678 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.573 2.724 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.648 4.041 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.258 3.607 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.337 4.762 -0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.949 4.334 -4.391 1.00 0.00 H new ATOM 0 HH TYR A 78 2.035 5.002 -3.510 1.00 0.00 H new ATOM 1154 N LYS A 79 8.169 6.581 -2.621 1.00 0.00 N ATOM 1155 CA LYS A 79 8.134 7.483 -3.766 1.00 0.00 C ATOM 1156 C LYS A 79 9.356 8.394 -3.778 1.00 0.00 C ATOM 1157 O LYS A 79 9.282 9.541 -4.219 1.00 0.00 O ATOM 1158 CB LYS A 79 6.856 8.326 -3.739 1.00 0.00 C ATOM 1159 CG LYS A 79 5.603 7.541 -4.086 1.00 0.00 C ATOM 1160 CD LYS A 79 4.344 8.315 -3.729 1.00 0.00 C ATOM 1161 CE LYS A 79 4.265 8.591 -2.235 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.897 9.006 -1.820 1.00 0.00 N ATOM 0 H LYS A 79 7.885 7.009 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 79 8.144 6.879 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.739 8.761 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.962 9.154 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.600 7.311 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.610 6.590 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.328 9.258 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.467 7.749 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.556 7.696 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.977 9.373 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.884 9.185 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.629 9.874 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.221 8.249 -2.048 1.00 0.00 H new ATOM 1176 N GLN A 80 10.480 7.876 -3.294 1.00 0.00 N ATOM 1177 CA GLN A 80 11.719 8.644 -3.250 1.00 0.00 C ATOM 1178 C GLN A 80 12.762 8.049 -4.190 1.00 0.00 C ATOM 1179 O GLN A 80 13.301 6.972 -3.933 1.00 0.00 O ATOM 1180 CB GLN A 80 12.267 8.688 -1.823 1.00 0.00 C ATOM 1181 CG GLN A 80 11.505 9.632 -0.907 1.00 0.00 C ATOM 1182 CD GLN A 80 11.092 10.913 -1.603 1.00 0.00 C ATOM 1183 OE1 GLN A 80 11.924 11.619 -2.174 1.00 0.00 O ATOM 1184 NE2 GLN A 80 9.801 11.222 -1.559 1.00 0.00 N ATOM 0 H GLN A 80 10.558 6.928 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 80 11.499 9.660 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.238 7.684 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.314 8.991 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.617 9.126 -0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.126 9.875 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.146 10.608 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.465 12.073 -2.010 1.00 0.00 H new ATOM 1193 N ARG A 81 13.041 8.756 -5.280 1.00 0.00 N ATOM 1194 CA ARG A 81 14.018 8.296 -6.260 1.00 0.00 C ATOM 1195 C ARG A 81 15.433 8.368 -5.691 1.00 0.00 C ATOM 1196 O ARG A 81 16.237 7.456 -5.883 1.00 0.00 O ATOM 1197 CB ARG A 81 13.926 9.134 -7.536 1.00 0.00 C ATOM 1198 CG ARG A 81 15.243 9.248 -8.286 1.00 0.00 C ATOM 1199 CD ARG A 81 15.679 7.905 -8.852 1.00 0.00 C ATOM 1200 NE ARG A 81 16.504 8.057 -10.048 1.00 0.00 N ATOM 1201 CZ ARG A 81 16.636 7.114 -10.974 1.00 0.00 C ATOM 1202 NH1 ARG A 81 16.001 5.958 -10.843 1.00 0.00 N ATOM 1203 NH2 ARG A 81 17.405 7.328 -12.035 1.00 0.00 N ATOM 0 H ARG A 81 12.604 9.649 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 81 13.794 7.257 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.179 8.694 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.576 10.134 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.140 9.970 -9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.013 9.629 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.237 7.356 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.798 7.310 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 81 17.006 8.935 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.409 5.791 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.104 5.236 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.895 8.217 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.506 6.604 -12.746 1.00 0.00 H new ATOM 1217 N TYR A 82 15.728 9.458 -4.992 1.00 0.00 N ATOM 1218 CA TYR A 82 17.046 9.651 -4.398 1.00 0.00 C ATOM 1219 C TYR A 82 16.957 10.512 -3.142 1.00 0.00 C ATOM 1220 O TYR A 82 15.940 11.160 -2.891 1.00 0.00 O ATOM 1221 CB TYR A 82 17.994 10.299 -5.409 1.00 0.00 C ATOM 1222 CG TYR A 82 17.796 11.791 -5.553 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.878 12.307 -6.459 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.528 12.686 -4.782 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.695 13.669 -6.594 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.351 14.051 -4.909 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.433 14.537 -5.817 1.00 0.00 C ATOM 1228 OH TYR A 82 17.253 15.895 -5.948 1.00 0.00 O ATOM 0 H TYR A 82 15.073 10.221 -4.823 1.00 0.00 H new ATOM 0 HA TYR A 82 17.437 8.673 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.023 10.105 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.853 9.827 -6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.297 11.631 -7.069 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.248 12.308 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.978 14.053 -7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.928 14.733 -4.301 1.00 0.00 H new ATOM 0 HH TYR A 82 17.849 16.365 -5.328 1.00 0.00 H new ATOM 1238 N TYR A 83 18.028 10.514 -2.357 1.00 0.00 N ATOM 1239 CA TYR A 83 18.072 11.294 -1.126 1.00 0.00 C ATOM 1240 C TYR A 83 19.405 12.024 -0.990 1.00 0.00 C ATOM 1241 O TYR A 83 20.466 11.461 -1.263 1.00 0.00 O ATOM 1242 CB TYR A 83 17.849 10.387 0.085 1.00 0.00 C ATOM 1243 CG TYR A 83 17.583 11.143 1.367 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.625 11.521 2.204 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.287 11.479 1.742 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.386 12.211 3.376 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.039 12.170 2.912 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.091 12.534 3.726 1.00 0.00 C ATOM 1249 OH TYR A 83 16.849 13.222 4.892 1.00 0.00 O ATOM 0 H TYR A 83 18.878 9.984 -2.551 1.00 0.00 H new ATOM 0 HA TYR A 83 17.275 12.036 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.007 9.725 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.726 9.755 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.640 11.271 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.460 11.195 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.208 12.496 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.026 12.424 3.188 1.00 0.00 H new ATOM 0 HH TYR A 83 15.885 13.371 4.990 1.00 0.00 H new ATOM 1259 N THR A 84 19.343 13.282 -0.566 1.00 0.00 N ATOM 1260 CA THR A 84 20.543 14.091 -0.394 1.00 0.00 C ATOM 1261 C THR A 84 20.960 14.152 1.071 1.00 0.00 C ATOM 1262 O THR A 84 20.249 14.715 1.905 1.00 0.00 O ATOM 1263 CB THR A 84 20.334 15.525 -0.917 1.00 0.00 C ATOM 1264 OG1 THR A 84 19.964 15.493 -2.300 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.598 16.353 -0.744 1.00 0.00 C ATOM 0 H THR A 84 18.474 13.763 -0.335 1.00 0.00 H new ATOM 0 HA THR A 84 21.332 13.612 -0.974 1.00 0.00 H new ATOM 0 HB THR A 84 19.534 15.987 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.831 16.408 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.427 17.362 -1.120 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.861 16.400 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.414 15.892 -1.301 1.00 0.00 H new ATOM 1273 N ILE A 85 22.114 13.571 1.378 1.00 0.00 N ATOM 1274 CA ILE A 85 22.625 13.562 2.743 1.00 0.00 C ATOM 1275 C ILE A 85 23.602 14.710 2.972 1.00 0.00 C ATOM 1276 O ILE A 85 24.678 14.750 2.376 1.00 0.00 O ATOM 1277 CB ILE A 85 23.328 12.231 3.072 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.440 11.049 2.679 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.678 12.169 4.551 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.165 9.722 2.677 1.00 0.00 C ATOM 0 H ILE A 85 22.713 13.100 0.700 1.00 0.00 H new ATOM 0 HA ILE A 85 21.766 13.683 3.403 1.00 0.00 H new ATOM 0 HB ILE A 85 24.252 12.173 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.598 10.993 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.027 11.230 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.174 11.223 4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.344 12.994 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.767 12.245 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.474 8.930 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.990 9.759 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.554 9.519 3.675 1.00 0.00 H new ATOM 1292 N GLU A 86 23.220 15.640 3.841 1.00 0.00 N ATOM 1293 CA GLU A 86 24.064 16.789 4.150 1.00 0.00 C ATOM 1294 C GLU A 86 24.570 16.722 5.588 1.00 0.00 C ATOM 1295 O GLU A 86 24.105 15.907 6.383 1.00 0.00 O ATOM 1296 CB GLU A 86 23.292 18.091 3.930 1.00 0.00 C ATOM 1297 CG GLU A 86 22.756 18.249 2.517 1.00 0.00 C ATOM 1298 CD GLU A 86 21.996 19.547 2.323 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.776 19.567 2.585 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.624 20.545 1.908 1.00 0.00 O ATOM 0 H GLU A 86 22.332 15.621 4.343 1.00 0.00 H new ATOM 0 HA GLU A 86 24.923 16.767 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.459 18.133 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.945 18.934 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.586 18.209 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.100 17.410 2.285 1.00 0.00 H new ATOM 1307 N ASN A 87 25.527 17.585 5.913 1.00 0.00 N ATOM 1308 CA ASN A 87 26.098 17.624 7.255 1.00 0.00 C ATOM 1309 C ASN A 87 27.035 16.442 7.481 1.00 0.00 C ATOM 1310 O ASN A 87 26.947 15.751 8.497 1.00 0.00 O ATOM 1311 CB ASN A 87 24.985 17.615 8.305 1.00 0.00 C ATOM 1312 CG ASN A 87 23.799 18.469 7.898 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.917 19.685 7.752 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.648 17.833 7.715 1.00 0.00 N ATOM 0 H ASN A 87 25.923 18.267 5.266 1.00 0.00 H new ATOM 0 HA ASN A 87 26.673 18.545 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.652 16.590 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.381 17.977 9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.815 18.354 7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.597 16.823 7.847 1.00 0.00 H new ATOM 1321 N LEU A 88 27.933 16.215 6.529 1.00 0.00 N ATOM 1322 CA LEU A 88 28.888 15.117 6.624 1.00 0.00 C ATOM 1323 C LEU A 88 30.321 15.640 6.628 1.00 0.00 C ATOM 1324 O LEU A 88 30.567 16.806 6.319 1.00 0.00 O ATOM 1325 CB LEU A 88 28.693 14.142 5.461 1.00 0.00 C ATOM 1326 CG LEU A 88 27.290 13.554 5.307 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.174 12.783 4.002 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.955 12.657 6.490 1.00 0.00 C ATOM 0 H LEU A 88 28.020 16.777 5.682 1.00 0.00 H new ATOM 0 HA LEU A 88 28.709 14.593 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.954 14.655 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.399 13.320 5.580 1.00 0.00 H new ATOM 0 HG LEU A 88 26.574 14.375 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.169 12.372 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.370 13.453 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.900 11.970 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.953 12.247 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.676 11.842 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.996 13.239 7.411 1.00 0.00 H new ATOM 1340 N ASP A 89 31.262 14.770 6.978 1.00 0.00 N ATOM 1341 CA ASP A 89 32.671 15.144 7.019 1.00 0.00 C ATOM 1342 C ASP A 89 33.338 14.898 5.669 1.00 0.00 C ATOM 1343 O ASP A 89 33.351 13.782 5.149 1.00 0.00 O ATOM 1344 CB ASP A 89 33.398 14.357 8.111 1.00 0.00 C ATOM 1345 CG ASP A 89 34.804 14.868 8.354 1.00 0.00 C ATOM 1346 OD1 ASP A 89 34.995 16.102 8.353 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.714 14.034 8.544 1.00 0.00 O ATOM 0 H ASP A 89 31.075 13.801 7.237 1.00 0.00 H new ATOM 0 HA ASP A 89 32.732 16.208 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.828 14.416 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.441 13.305 7.829 1.00 0.00 H new ATOM 1352 N PRO A 90 33.904 15.965 5.085 1.00 0.00 N ATOM 1353 CA PRO A 90 34.583 15.890 3.788 1.00 0.00 C ATOM 1354 C PRO A 90 35.892 15.113 3.862 1.00 0.00 C ATOM 1355 O PRO A 90 36.553 15.089 4.901 1.00 0.00 O ATOM 1356 CB PRO A 90 34.850 17.357 3.443 1.00 0.00 C ATOM 1357 CG PRO A 90 34.897 18.053 4.759 1.00 0.00 C ATOM 1358 CD PRO A 90 33.927 17.325 5.647 1.00 0.00 C ATOM 0 HA PRO A 90 33.984 15.365 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.789 17.472 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.063 17.764 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.903 18.029 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.620 19.102 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.256 17.325 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.939 17.785 5.625 1.00 0.00 H new ATOM 1366 N SER A 91 36.262 14.478 2.754 1.00 0.00 N ATOM 1367 CA SER A 91 37.492 13.697 2.696 1.00 0.00 C ATOM 1368 C SER A 91 37.396 12.464 3.589 1.00 0.00 C ATOM 1369 O SER A 91 38.296 12.186 4.381 1.00 0.00 O ATOM 1370 CB SER A 91 38.687 14.554 3.117 1.00 0.00 C ATOM 1371 OG SER A 91 39.878 14.115 2.488 1.00 0.00 O ATOM 0 H SER A 91 35.728 14.489 1.885 1.00 0.00 H new ATOM 0 HA SER A 91 37.635 13.368 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.499 15.596 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.806 14.510 4.200 1.00 0.00 H new ATOM 0 HG SER A 91 40.626 14.680 2.773 1.00 0.00 H new ATOM 1377 N SER A 92 36.297 11.729 3.456 1.00 0.00 N ATOM 1378 CA SER A 92 36.079 10.527 4.253 1.00 0.00 C ATOM 1379 C SER A 92 35.177 9.542 3.516 1.00 0.00 C ATOM 1380 O SER A 92 34.194 9.933 2.887 1.00 0.00 O ATOM 1381 CB SER A 92 35.459 10.891 5.604 1.00 0.00 C ATOM 1382 OG SER A 92 36.441 11.385 6.499 1.00 0.00 O ATOM 0 H SER A 92 35.543 11.945 2.804 1.00 0.00 H new ATOM 0 HA SER A 92 37.046 10.052 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.682 11.642 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.978 10.013 6.035 1.00 0.00 H new ATOM 0 HG SER A 92 37.255 11.607 6.001 1.00 0.00 H new ATOM 1388 N HIS A 93 35.520 8.260 3.598 1.00 0.00 N ATOM 1389 CA HIS A 93 34.742 7.217 2.940 1.00 0.00 C ATOM 1390 C HIS A 93 33.493 6.879 3.748 1.00 0.00 C ATOM 1391 O HIS A 93 33.555 6.715 4.967 1.00 0.00 O ATOM 1392 CB HIS A 93 35.593 5.962 2.746 1.00 0.00 C ATOM 1393 CG HIS A 93 34.787 4.711 2.580 1.00 0.00 C ATOM 1394 ND1 HIS A 93 34.958 3.594 3.371 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.798 4.404 1.708 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.110 2.655 2.992 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.395 3.121 1.984 1.00 0.00 N ATOM 0 H HIS A 93 36.331 7.919 4.114 1.00 0.00 H new ATOM 0 HA HIS A 93 34.432 7.591 1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.227 6.095 1.869 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.256 5.846 3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.400 5.049 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.017 1.673 3.432 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.662 2.611 1.491 1.00 0.00 H new ATOM 1406 N TYR A 94 32.360 6.776 3.062 1.00 0.00 N ATOM 1407 CA TYR A 94 31.096 6.461 3.717 1.00 0.00 C ATOM 1408 C TYR A 94 30.380 5.321 2.998 1.00 0.00 C ATOM 1409 O TYR A 94 30.209 5.349 1.779 1.00 0.00 O ATOM 1410 CB TYR A 94 30.196 7.698 3.757 1.00 0.00 C ATOM 1411 CG TYR A 94 30.525 8.648 4.886 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.715 9.364 4.894 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.644 8.831 5.945 1.00 0.00 C ATOM 1414 CE1 TYR A 94 32.020 10.233 5.924 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.939 9.699 6.979 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.128 10.397 6.964 1.00 0.00 C ATOM 1417 OH TYR A 94 31.427 11.263 7.991 1.00 0.00 O ATOM 0 H TYR A 94 32.291 6.906 2.053 1.00 0.00 H new ATOM 0 HA TYR A 94 31.313 6.144 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.281 8.230 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.158 7.379 3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.414 9.239 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.712 8.285 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.951 10.781 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.242 9.830 7.794 1.00 0.00 H new ATOM 0 HH TYR A 94 30.695 11.264 8.642 1.00 0.00 H new ATOM 1427 N VAL A 95 29.962 4.318 3.764 1.00 0.00 N ATOM 1428 CA VAL A 95 29.263 3.168 3.203 1.00 0.00 C ATOM 1429 C VAL A 95 27.760 3.416 3.141 1.00 0.00 C ATOM 1430 O VAL A 95 27.098 3.547 4.171 1.00 0.00 O ATOM 1431 CB VAL A 95 29.528 1.894 4.026 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.775 0.711 3.436 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.020 1.606 4.096 1.00 0.00 C ATOM 0 H VAL A 95 30.095 4.279 4.774 1.00 0.00 H new ATOM 0 HA VAL A 95 29.647 3.025 2.193 1.00 0.00 H new ATOM 0 HB VAL A 95 29.165 2.056 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 95 28.974 -0.180 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.705 0.920 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.105 0.544 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.189 0.702 4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.411 1.464 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.531 2.445 4.568 1.00 0.00 H new ATOM 1443 N ILE A 96 27.226 3.479 1.925 1.00 0.00 N ATOM 1444 CA ILE A 96 25.800 3.710 1.729 1.00 0.00 C ATOM 1445 C ILE A 96 25.072 2.409 1.410 1.00 0.00 C ATOM 1446 O ILE A 96 25.487 1.650 0.533 1.00 0.00 O ATOM 1447 CB ILE A 96 25.545 4.719 0.594 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.902 6.135 1.051 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.093 4.653 0.143 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.383 6.436 0.983 1.00 0.00 C ATOM 0 H ILE A 96 27.759 3.373 1.062 1.00 0.00 H new ATOM 0 HA ILE A 96 25.415 4.120 2.663 1.00 0.00 H new ATOM 0 HB ILE A 96 26.181 4.459 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.364 6.854 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.558 6.275 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.928 5.372 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.869 3.649 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.440 4.891 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.563 7.456 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.925 5.740 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.729 6.328 -0.045 1.00 0.00 H new ATOM 1462 N THR A 97 23.981 2.157 2.126 1.00 0.00 N ATOM 1463 CA THR A 97 23.193 0.948 1.920 1.00 0.00 C ATOM 1464 C THR A 97 21.716 1.278 1.740 1.00 0.00 C ATOM 1465 O THR A 97 21.239 2.312 2.210 1.00 0.00 O ATOM 1466 CB THR A 97 23.349 -0.032 3.099 1.00 0.00 C ATOM 1467 OG1 THR A 97 22.710 0.499 4.265 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.818 -0.294 3.394 1.00 0.00 C ATOM 0 H THR A 97 23.623 2.775 2.854 1.00 0.00 H new ATOM 0 HA THR A 97 23.570 0.476 1.013 1.00 0.00 H new ATOM 0 HB THR A 97 22.876 -0.975 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.812 -0.130 5.009 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.903 -0.988 4.230 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.295 -0.726 2.514 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.311 0.644 3.650 1.00 0.00 H new ATOM 1476 N LEU A 98 20.996 0.394 1.058 1.00 0.00 N ATOM 1477 CA LEU A 98 19.571 0.592 0.817 1.00 0.00 C ATOM 1478 C LEU A 98 18.847 -0.746 0.705 1.00 0.00 C ATOM 1479 O LEU A 98 19.373 -1.704 0.138 1.00 0.00 O ATOM 1480 CB LEU A 98 19.358 1.408 -0.459 1.00 0.00 C ATOM 1481 CG LEU A 98 17.945 1.384 -1.043 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.083 2.459 -0.401 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.990 1.565 -2.554 1.00 0.00 C ATOM 0 H LEU A 98 21.375 -0.466 0.662 1.00 0.00 H new ATOM 0 HA LEU A 98 19.157 1.139 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.627 2.444 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.050 1.044 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 98 17.499 0.413 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.081 2.426 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.024 2.285 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.525 3.438 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.976 1.545 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.455 2.521 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.571 0.758 -3.000 1.00 0.00 H new ATOM 1495 N LYS A 99 17.635 -0.805 1.247 1.00 0.00 N ATOM 1496 CA LYS A 99 16.836 -2.024 1.206 1.00 0.00 C ATOM 1497 C LYS A 99 15.346 -1.697 1.178 1.00 0.00 C ATOM 1498 O LYS A 99 14.911 -0.694 1.743 1.00 0.00 O ATOM 1499 CB LYS A 99 17.153 -2.907 2.415 1.00 0.00 C ATOM 1500 CG LYS A 99 17.383 -2.124 3.696 1.00 0.00 C ATOM 1501 CD LYS A 99 17.313 -3.024 4.919 1.00 0.00 C ATOM 1502 CE LYS A 99 18.248 -2.544 6.018 1.00 0.00 C ATOM 1503 NZ LYS A 99 17.721 -2.865 7.374 1.00 0.00 N ATOM 0 H LYS A 99 17.184 -0.022 1.720 1.00 0.00 H new ATOM 0 HA LYS A 99 17.089 -2.564 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.331 -3.606 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.041 -3.501 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.358 -1.637 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.636 -1.335 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.290 -3.050 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.574 -4.044 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.227 -3.006 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.390 -1.467 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.387 -2.522 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.799 -2.403 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.609 -3.895 7.468 1.00 0.00 H new ATOM 1517 N ALA A 100 14.570 -2.550 0.517 1.00 0.00 N ATOM 1518 CA ALA A 100 13.129 -2.353 0.419 1.00 0.00 C ATOM 1519 C ALA A 100 12.391 -3.170 1.474 1.00 0.00 C ATOM 1520 O ALA A 100 12.726 -4.328 1.724 1.00 0.00 O ATOM 1521 CB ALA A 100 12.640 -2.720 -0.974 1.00 0.00 C ATOM 0 H ALA A 100 14.915 -3.384 0.042 1.00 0.00 H new ATOM 0 HA ALA A 100 12.917 -1.299 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.562 -2.568 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.136 -2.089 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.871 -3.766 -1.177 1.00 0.00 H new ATOM 1527 N PHE A 101 11.384 -2.560 2.090 1.00 0.00 N ATOM 1528 CA PHE A 101 10.599 -3.231 3.120 1.00 0.00 C ATOM 1529 C PHE A 101 9.104 -3.062 2.860 1.00 0.00 C ATOM 1530 O PHE A 101 8.695 -2.236 2.046 1.00 0.00 O ATOM 1531 CB PHE A 101 10.953 -2.679 4.502 1.00 0.00 C ATOM 1532 CG PHE A 101 10.572 -1.239 4.689 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.443 -0.225 4.323 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.343 -0.898 5.229 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.095 1.102 4.494 1.00 0.00 C ATOM 1536 CE2 PHE A 101 8.989 0.427 5.402 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.866 1.428 5.034 1.00 0.00 C ATOM 0 H PHE A 101 11.092 -1.602 1.894 1.00 0.00 H new ATOM 0 HA PHE A 101 10.838 -4.294 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.455 -3.280 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.026 -2.786 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.405 -0.474 3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.653 -1.677 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.783 1.883 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.028 0.679 5.825 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.592 2.464 5.168 1.00 0.00 H new ATOM 1547 N ASN A 102 8.296 -3.852 3.560 1.00 0.00 N ATOM 1548 CA ASN A 102 6.847 -3.791 3.405 1.00 0.00 C ATOM 1549 C ASN A 102 6.144 -4.193 4.698 1.00 0.00 C ATOM 1550 O ASN A 102 6.791 -4.498 5.699 1.00 0.00 O ATOM 1551 CB ASN A 102 6.396 -4.703 2.262 1.00 0.00 C ATOM 1552 CG ASN A 102 6.782 -6.151 2.491 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.624 -6.454 3.337 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.168 -7.054 1.736 1.00 0.00 N ATOM 0 H ASN A 102 8.619 -4.541 4.239 1.00 0.00 H new ATOM 0 HA ASN A 102 6.575 -2.762 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.314 -4.632 2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.837 -4.356 1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.388 -8.044 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.477 -6.758 1.047 1.00 0.00 H new ATOM 1561 N ASN A 103 4.815 -4.191 4.668 1.00 0.00 N ATOM 1562 CA ASN A 103 4.024 -4.556 5.838 1.00 0.00 C ATOM 1563 C ASN A 103 4.417 -5.938 6.351 1.00 0.00 C ATOM 1564 O ASN A 103 4.068 -6.320 7.468 1.00 0.00 O ATOM 1565 CB ASN A 103 2.533 -4.530 5.499 1.00 0.00 C ATOM 1566 CG ASN A 103 1.681 -5.153 6.588 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.006 -5.063 7.773 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.585 -5.789 6.191 1.00 0.00 N ATOM 0 H ASN A 103 4.264 -3.941 3.847 1.00 0.00 H new ATOM 0 HA ASN A 103 4.224 -3.827 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.217 -3.499 5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.367 -5.062 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.027 -6.228 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.355 -5.838 5.198 1.00 0.00 H new ATOM 1575 N VAL A 104 5.147 -6.683 5.527 1.00 0.00 N ATOM 1576 CA VAL A 104 5.589 -8.022 5.898 1.00 0.00 C ATOM 1577 C VAL A 104 6.952 -7.982 6.581 1.00 0.00 C ATOM 1578 O VAL A 104 7.139 -8.561 7.650 1.00 0.00 O ATOM 1579 CB VAL A 104 5.671 -8.947 4.668 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.208 -10.314 5.062 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.308 -9.071 4.004 1.00 0.00 C ATOM 0 H VAL A 104 5.445 -6.382 4.599 1.00 0.00 H new ATOM 0 HA VAL A 104 4.849 -8.418 6.593 1.00 0.00 H new ATOM 0 HB VAL A 104 6.362 -8.506 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.259 -10.953 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.205 -10.204 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.546 -10.766 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.384 -9.728 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.594 -9.488 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.968 -8.086 3.684 1.00 0.00 H new ATOM 1591 N GLY A 105 7.901 -7.292 5.955 1.00 0.00 N ATOM 1592 CA GLY A 105 9.235 -7.188 6.518 1.00 0.00 C ATOM 1593 C GLY A 105 10.214 -6.526 5.569 1.00 0.00 C ATOM 1594 O GLY A 105 9.811 -5.836 4.633 1.00 0.00 O ATOM 0 H GLY A 105 7.770 -6.804 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.191 -6.618 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.597 -8.184 6.773 1.00 0.00 H new ATOM 1598 N GLU A 106 11.504 -6.736 5.811 1.00 0.00 N ATOM 1599 CA GLU A 106 12.543 -6.151 4.971 1.00 0.00 C ATOM 1600 C GLU A 106 13.260 -7.229 4.163 1.00 0.00 C ATOM 1601 O GLU A 106 12.979 -8.418 4.307 1.00 0.00 O ATOM 1602 CB GLU A 106 13.552 -5.385 5.829 1.00 0.00 C ATOM 1603 CG GLU A 106 12.921 -4.647 6.997 1.00 0.00 C ATOM 1604 CD GLU A 106 12.485 -5.580 8.110 1.00 0.00 C ATOM 1605 OE1 GLU A 106 13.365 -6.175 8.765 1.00 0.00 O ATOM 1606 OE2 GLU A 106 11.262 -5.715 8.325 1.00 0.00 O ATOM 0 H GLU A 106 11.854 -7.306 6.581 1.00 0.00 H new ATOM 0 HA GLU A 106 12.067 -5.458 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.296 -6.084 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.081 -4.669 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.634 -3.924 7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.058 -4.083 6.642 1.00 0.00 H new ATOM 1613 N GLY A 107 14.189 -6.803 3.312 1.00 0.00 N ATOM 1614 CA GLY A 107 14.932 -7.743 2.494 1.00 0.00 C ATOM 1615 C GLY A 107 16.429 -7.641 2.707 1.00 0.00 C ATOM 1616 O GLY A 107 16.888 -7.390 3.822 1.00 0.00 O ATOM 0 H GLY A 107 14.440 -5.824 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.604 -8.757 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.705 -7.564 1.443 1.00 0.00 H new ATOM 1620 N ILE A 108 17.193 -7.838 1.637 1.00 0.00 N ATOM 1621 CA ILE A 108 18.646 -7.766 1.713 1.00 0.00 C ATOM 1622 C ILE A 108 19.167 -6.474 1.093 1.00 0.00 C ATOM 1623 O ILE A 108 19.072 -6.254 -0.115 1.00 0.00 O ATOM 1624 CB ILE A 108 19.306 -8.965 1.005 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.397 -9.492 -0.106 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.619 -10.065 2.008 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.330 -10.444 0.386 1.00 0.00 C ATOM 0 H ILE A 108 16.829 -8.049 0.708 1.00 0.00 H new ATOM 0 HA ILE A 108 18.908 -7.789 2.771 1.00 0.00 H new ATOM 0 HB ILE A 108 20.242 -8.633 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.918 -8.648 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 108 19.007 -9.998 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.085 -10.905 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.301 -9.682 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.696 -10.397 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.723 -10.777 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.801 -11.306 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.695 -9.936 1.112 1.00 0.00 H new ATOM 1639 N PRO A 109 19.732 -5.599 1.937 1.00 0.00 N ATOM 1640 CA PRO A 109 20.282 -4.314 1.494 1.00 0.00 C ATOM 1641 C PRO A 109 21.549 -4.481 0.663 1.00 0.00 C ATOM 1642 O PRO A 109 22.139 -5.562 0.622 1.00 0.00 O ATOM 1643 CB PRO A 109 20.594 -3.590 2.806 1.00 0.00 C ATOM 1644 CG PRO A 109 20.801 -4.681 3.800 1.00 0.00 C ATOM 1645 CD PRO A 109 19.880 -5.796 3.389 1.00 0.00 C ATOM 0 HA PRO A 109 19.588 -3.775 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.483 -2.966 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.774 -2.935 3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.839 -5.014 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.573 -4.338 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.304 -6.773 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 109 18.921 -5.735 3.903 1.00 0.00 H new ATOM 1653 N LEU A 110 21.964 -3.406 0.002 1.00 0.00 N ATOM 1654 CA LEU A 110 23.163 -3.433 -0.829 1.00 0.00 C ATOM 1655 C LEU A 110 24.291 -2.636 -0.182 1.00 0.00 C ATOM 1656 O LEU A 110 24.069 -1.885 0.768 1.00 0.00 O ATOM 1657 CB LEU A 110 22.858 -2.872 -2.218 1.00 0.00 C ATOM 1658 CG LEU A 110 21.687 -3.517 -2.961 1.00 0.00 C ATOM 1659 CD1 LEU A 110 21.027 -2.513 -3.893 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.156 -4.739 -3.737 1.00 0.00 C ATOM 0 H LEU A 110 21.488 -2.504 0.025 1.00 0.00 H new ATOM 0 HA LEU A 110 23.485 -4.470 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.657 -1.805 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.752 -2.973 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 110 20.949 -3.839 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.196 -2.990 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.655 -1.668 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.756 -2.160 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.310 -5.185 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.914 -4.441 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.581 -5.467 -3.046 1.00 0.00 H new ATOM 1672 N TYR A 111 25.501 -2.804 -0.705 1.00 0.00 N ATOM 1673 CA TYR A 111 26.665 -2.100 -0.178 1.00 0.00 C ATOM 1674 C TYR A 111 27.283 -1.198 -1.242 1.00 0.00 C ATOM 1675 O TYR A 111 27.490 -1.615 -2.380 1.00 0.00 O ATOM 1676 CB TYR A 111 27.707 -3.100 0.326 1.00 0.00 C ATOM 1677 CG TYR A 111 27.526 -3.483 1.778 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.258 -3.655 2.319 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.624 -3.672 2.608 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.089 -4.004 3.645 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.464 -4.022 3.935 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.195 -4.187 4.448 1.00 0.00 C ATOM 1683 OH TYR A 111 27.030 -4.535 5.769 1.00 0.00 O ATOM 0 H TYR A 111 25.701 -3.421 -1.492 1.00 0.00 H new ATOM 0 HA TYR A 111 26.336 -1.478 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.661 -4.000 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.701 -2.674 0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.390 -3.514 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.619 -3.543 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.096 -4.133 4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.328 -4.166 4.567 1.00 0.00 H new ATOM 0 HH TYR A 111 27.908 -4.626 6.195 1.00 0.00 H new ATOM 1693 N GLU A 112 27.574 0.042 -0.860 1.00 0.00 N ATOM 1694 CA GLU A 112 28.168 1.004 -1.781 1.00 0.00 C ATOM 1695 C GLU A 112 29.354 1.715 -1.134 1.00 0.00 C ATOM 1696 O GLU A 112 29.619 1.546 0.056 1.00 0.00 O ATOM 1697 CB GLU A 112 27.124 2.031 -2.224 1.00 0.00 C ATOM 1698 CG GLU A 112 26.397 1.646 -3.502 1.00 0.00 C ATOM 1699 CD GLU A 112 25.821 0.244 -3.446 1.00 0.00 C ATOM 1700 OE1 GLU A 112 24.995 -0.023 -2.549 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.197 -0.585 -4.300 1.00 0.00 O ATOM 0 H GLU A 112 27.408 0.403 0.079 1.00 0.00 H new ATOM 0 HA GLU A 112 28.525 0.459 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.394 2.162 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.613 2.994 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.593 2.358 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 112 27.086 1.718 -4.343 1.00 0.00 H new ATOM 1708 N SER A 113 30.064 2.510 -1.928 1.00 0.00 N ATOM 1709 CA SER A 113 31.224 3.243 -1.435 1.00 0.00 C ATOM 1710 C SER A 113 31.276 4.645 -2.035 1.00 0.00 C ATOM 1711 O SER A 113 31.065 4.827 -3.234 1.00 0.00 O ATOM 1712 CB SER A 113 32.512 2.487 -1.768 1.00 0.00 C ATOM 1713 OG SER A 113 32.617 2.248 -3.161 1.00 0.00 O ATOM 0 H SER A 113 29.856 2.663 -2.915 1.00 0.00 H new ATOM 0 HA SER A 113 31.132 3.332 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.373 3.062 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.530 1.539 -1.231 1.00 0.00 H new ATOM 0 HG SER A 113 33.449 1.765 -3.348 1.00 0.00 H new ATOM 1719 N ALA A 114 31.557 5.633 -1.192 1.00 0.00 N ATOM 1720 CA ALA A 114 31.638 7.018 -1.638 1.00 0.00 C ATOM 1721 C ALA A 114 32.680 7.793 -0.837 1.00 0.00 C ATOM 1722 O ALA A 114 32.642 7.814 0.393 1.00 0.00 O ATOM 1723 CB ALA A 114 30.277 7.690 -1.525 1.00 0.00 C ATOM 0 H ALA A 114 31.732 5.500 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 114 31.946 7.019 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.353 8.724 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.556 7.158 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.946 7.670 -0.487 1.00 0.00 H new ATOM 1729 N VAL A 115 33.610 8.427 -1.543 1.00 0.00 N ATOM 1730 CA VAL A 115 34.662 9.203 -0.898 1.00 0.00 C ATOM 1731 C VAL A 115 34.469 10.697 -1.136 1.00 0.00 C ATOM 1732 O VAL A 115 34.791 11.214 -2.206 1.00 0.00 O ATOM 1733 CB VAL A 115 36.056 8.790 -1.407 1.00 0.00 C ATOM 1734 CG1 VAL A 115 37.143 9.554 -0.666 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.253 7.289 -1.260 1.00 0.00 C ATOM 0 H VAL A 115 33.656 8.419 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 115 34.597 8.997 0.170 1.00 0.00 H new ATOM 0 HB VAL A 115 36.127 9.041 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 115 38.121 9.249 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 115 37.010 10.624 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 115 37.078 9.337 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.243 7.015 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.163 7.011 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.494 6.764 -1.840 1.00 0.00 H new ATOM 1745 N THR A 116 33.939 11.387 -0.131 1.00 0.00 N ATOM 1746 CA THR A 116 33.701 12.821 -0.230 1.00 0.00 C ATOM 1747 C THR A 116 34.954 13.556 -0.693 1.00 0.00 C ATOM 1748 O THR A 116 36.074 13.133 -0.407 1.00 0.00 O ATOM 1749 CB THR A 116 33.244 13.409 1.118 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.157 13.029 2.153 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.843 12.932 1.470 1.00 0.00 C ATOM 0 H THR A 116 33.666 10.975 0.761 1.00 0.00 H new ATOM 0 HA THR A 116 32.909 12.959 -0.966 1.00 0.00 H new ATOM 0 HB THR A 116 33.229 14.495 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.755 13.212 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.542 13.360 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 116 31.145 13.249 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.836 11.844 1.542 1.00 0.00 H new ATOM 1759 N ARG A 117 34.757 14.658 -1.410 1.00 0.00 N ATOM 1760 CA ARG A 117 35.872 15.451 -1.913 1.00 0.00 C ATOM 1761 C ARG A 117 36.464 16.320 -0.807 1.00 0.00 C ATOM 1762 O ARG A 117 35.789 16.690 0.154 1.00 0.00 O ATOM 1763 CB ARG A 117 35.415 16.331 -3.078 1.00 0.00 C ATOM 1764 CG ARG A 117 35.064 15.547 -4.332 1.00 0.00 C ATOM 1765 CD ARG A 117 35.201 16.404 -5.581 1.00 0.00 C ATOM 1766 NE ARG A 117 35.309 15.594 -6.792 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.296 16.102 -8.019 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.180 17.410 -8.198 1.00 0.00 N ATOM 1769 NH2 ARG A 117 35.399 15.300 -9.071 1.00 0.00 N ATOM 0 H ARG A 117 33.836 15.021 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 117 36.643 14.766 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.545 16.909 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 117 36.204 17.045 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.716 14.677 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 117 34.043 15.174 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 117 34.339 17.065 -5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 117 36.082 17.039 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 117 35.399 14.583 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.100 18.030 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.170 17.797 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 117 35.488 14.293 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 117 35.389 15.691 -10.013 1.00 0.00 H new ATOM 1783 N PRO A 118 37.756 16.653 -0.944 1.00 0.00 N ATOM 1784 CA PRO A 118 38.468 17.482 0.034 1.00 0.00 C ATOM 1785 C PRO A 118 37.991 18.930 0.022 1.00 0.00 C ATOM 1786 O PRO A 118 38.440 19.735 -0.795 1.00 0.00 O ATOM 1787 CB PRO A 118 39.926 17.395 -0.422 1.00 0.00 C ATOM 1788 CG PRO A 118 39.851 17.094 -1.879 1.00 0.00 C ATOM 1789 CD PRO A 118 38.622 16.247 -2.064 1.00 0.00 C ATOM 0 HA PRO A 118 38.306 17.138 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.455 18.330 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.463 16.614 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.785 18.011 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.743 16.566 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 118 38.147 16.433 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.857 15.183 -2.025 1.00 0.00 H new