USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=26 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 35 HIS : no HE2:sc= 0.343 K(o=0.82,f=-5.6!) USER MOD Set 1.2: A 46 SER OG : rot 130:sc= 0.476 USER MOD Set 2.1: A 32 SER OG : rot 140:sc= 0.528 USER MOD Set 2.2: A 48 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.158 USER MOD Single : A 52 ASN : amide:sc= -2.29 K(o=-2.3,f=-7.7!) USER MOD Single : A 53 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.089) USER MOD Single : A 54 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.0057) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.3) 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= -0.567 X(o=-0.57,f=-0.57) 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= -0.87 X(o=-0.87,f=-0.44) USER MOD Single : A 91 SER OG : rot -56:sc= 0.233 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.106 F(o=-0.76,f=-0.11) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 97 THR OG1 : rot 153:sc= -0.993 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 0.257 (180deg=0.101) USER MOD Single : A 102 ASN : amide:sc= 0.207 K(o=0.21,f=-14!) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.759 F(o=-2.2,f=-0.76) 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 178:sc= 1.53 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.573 -8.604 -4.515 1.00 0.00 N ATOM 287 CA ASP A 23 2.034 -9.541 -3.497 1.00 0.00 C ATOM 288 C ASP A 23 2.738 -8.805 -2.362 1.00 0.00 C ATOM 289 O ASP A 23 3.885 -8.382 -2.501 1.00 0.00 O ATOM 290 CB ASP A 23 2.977 -10.574 -4.115 1.00 0.00 C ATOM 291 CG ASP A 23 2.929 -11.907 -3.393 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.887 -12.208 -2.773 1.00 0.00 O ATOM 293 OD2 ASP A 23 3.932 -12.648 -3.448 1.00 0.00 O ATOM 0 HA ASP A 23 1.164 -10.054 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.713 -10.722 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.997 -10.189 -4.094 1.00 0.00 H new ATOM 298 N GLU A 24 2.043 -8.656 -1.238 1.00 0.00 N ATOM 299 CA GLU A 24 2.602 -7.970 -0.080 1.00 0.00 C ATOM 300 C GLU A 24 2.983 -8.966 1.012 1.00 0.00 C ATOM 301 O GLU A 24 3.963 -8.773 1.731 1.00 0.00 O ATOM 302 CB GLU A 24 1.601 -6.952 0.470 1.00 0.00 C ATOM 303 CG GLU A 24 2.136 -6.142 1.639 1.00 0.00 C ATOM 304 CD GLU A 24 1.250 -4.961 1.984 1.00 0.00 C ATOM 305 OE1 GLU A 24 0.596 -4.422 1.067 1.00 0.00 O ATOM 306 OE2 GLU A 24 1.211 -4.575 3.171 1.00 0.00 O ATOM 0 H GLU A 24 1.092 -9.001 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 24 3.503 -7.447 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.311 -6.271 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.699 -7.476 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.230 -6.788 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.137 -5.783 1.400 1.00 0.00 H new ATOM 313 N THR A 25 2.199 -10.034 1.130 1.00 0.00 N ATOM 314 CA THR A 25 2.451 -11.060 2.133 1.00 0.00 C ATOM 315 C THR A 25 3.945 -11.324 2.286 1.00 0.00 C ATOM 316 O THR A 25 4.404 -11.752 3.345 1.00 0.00 O ATOM 317 CB THR A 25 1.742 -12.380 1.778 1.00 0.00 C ATOM 318 OG1 THR A 25 1.830 -13.295 2.876 1.00 0.00 O ATOM 319 CG2 THR A 25 2.358 -13.009 0.537 1.00 0.00 C ATOM 0 H THR A 25 1.384 -10.210 0.542 1.00 0.00 H new ATOM 0 HA THR A 25 2.052 -10.685 3.075 1.00 0.00 H new ATOM 0 HB THR A 25 0.694 -12.159 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.375 -14.131 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.841 -13.940 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.263 -12.323 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.413 -13.216 0.719 1.00 0.00 H new ATOM 327 N ARG A 26 4.699 -11.066 1.223 1.00 0.00 N ATOM 328 CA ARG A 26 6.141 -11.277 1.239 1.00 0.00 C ATOM 329 C ARG A 26 6.885 -9.945 1.258 1.00 0.00 C ATOM 330 O ARG A 26 6.334 -8.908 0.887 1.00 0.00 O ATOM 331 CB ARG A 26 6.572 -12.096 0.021 1.00 0.00 C ATOM 332 CG ARG A 26 6.570 -11.305 -1.277 1.00 0.00 C ATOM 333 CD ARG A 26 7.026 -12.159 -2.450 1.00 0.00 C ATOM 334 NE ARG A 26 8.477 -12.328 -2.472 1.00 0.00 N ATOM 335 CZ ARG A 26 9.115 -13.290 -1.815 1.00 0.00 C ATOM 336 NH1 ARG A 26 8.434 -14.165 -1.088 1.00 0.00 N ATOM 337 NH2 ARG A 26 10.437 -13.378 -1.885 1.00 0.00 N ATOM 0 H ARG A 26 4.335 -10.710 0.339 1.00 0.00 H new ATOM 0 HA ARG A 26 6.392 -11.827 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.573 -12.490 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.906 -12.952 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.567 -10.924 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.226 -10.440 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.548 -13.137 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.700 -11.698 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 26 9.030 -11.671 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.418 -14.100 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.927 -14.903 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.964 -12.707 -2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.926 -14.117 -1.380 1.00 0.00 H new ATOM 351 N VAL A 27 8.141 -9.980 1.694 1.00 0.00 N ATOM 352 CA VAL A 27 8.961 -8.776 1.761 1.00 0.00 C ATOM 353 C VAL A 27 9.755 -8.580 0.474 1.00 0.00 C ATOM 354 O VAL A 27 10.180 -9.536 -0.174 1.00 0.00 O ATOM 355 CB VAL A 27 9.937 -8.828 2.951 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.196 -9.172 4.235 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.050 -9.830 2.684 1.00 0.00 C ATOM 0 H VAL A 27 8.612 -10.829 2.006 1.00 0.00 H new ATOM 0 HA VAL A 27 8.280 -7.936 1.896 1.00 0.00 H new ATOM 0 HB VAL A 27 10.387 -7.843 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.902 -9.204 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.438 -8.414 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.716 -10.145 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.730 -9.854 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.620 -10.821 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.598 -9.535 1.789 1.00 0.00 H new ATOM 367 N PRO A 28 9.962 -7.310 0.095 1.00 0.00 N ATOM 368 CA PRO A 28 10.708 -6.958 -1.117 1.00 0.00 C ATOM 369 C PRO A 28 12.196 -7.266 -0.992 1.00 0.00 C ATOM 370 O PRO A 28 12.862 -6.790 -0.074 1.00 0.00 O ATOM 371 CB PRO A 28 10.483 -5.449 -1.245 1.00 0.00 C ATOM 372 CG PRO A 28 10.205 -4.988 0.144 1.00 0.00 C ATOM 373 CD PRO A 28 9.484 -6.121 0.820 1.00 0.00 C ATOM 0 HA PRO A 28 10.372 -7.528 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.360 -4.952 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.648 -5.228 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.130 -4.747 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.595 -4.084 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.725 -6.174 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.402 -6.012 0.743 1.00 0.00 H new ATOM 381 N GLU A 29 12.710 -8.065 -1.922 1.00 0.00 N ATOM 382 CA GLU A 29 14.120 -8.436 -1.914 1.00 0.00 C ATOM 383 C GLU A 29 14.989 -7.283 -2.409 1.00 0.00 C ATOM 384 O GLU A 29 14.490 -6.198 -2.706 1.00 0.00 O ATOM 385 CB GLU A 29 14.349 -9.673 -2.786 1.00 0.00 C ATOM 386 CG GLU A 29 13.294 -10.751 -2.602 1.00 0.00 C ATOM 387 CD GLU A 29 13.653 -11.738 -1.509 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.601 -12.527 -1.711 1.00 0.00 O ATOM 389 OE2 GLU A 29 12.988 -11.723 -0.453 1.00 0.00 O ATOM 0 H GLU A 29 12.172 -8.467 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 29 14.403 -8.666 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.369 -9.371 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.329 -10.092 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.339 -10.283 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.161 -11.288 -3.541 1.00 0.00 H new ATOM 396 N VAL A 30 16.293 -7.527 -2.494 1.00 0.00 N ATOM 397 CA VAL A 30 17.232 -6.511 -2.953 1.00 0.00 C ATOM 398 C VAL A 30 16.754 -5.866 -4.249 1.00 0.00 C ATOM 399 O VAL A 30 16.374 -6.542 -5.205 1.00 0.00 O ATOM 400 CB VAL A 30 18.636 -7.104 -3.175 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.539 -8.495 -3.782 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.469 -6.185 -4.057 1.00 0.00 C ATOM 0 H VAL A 30 16.723 -8.420 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 30 17.285 -5.753 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 30 19.132 -7.190 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.541 -8.897 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.982 -9.148 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.024 -8.438 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.458 -6.619 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.979 -6.065 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.568 -5.211 -3.577 1.00 0.00 H new ATOM 412 N PRO A 31 16.773 -4.525 -4.284 1.00 0.00 N ATOM 413 CA PRO A 31 16.345 -3.758 -5.458 1.00 0.00 C ATOM 414 C PRO A 31 17.314 -3.900 -6.628 1.00 0.00 C ATOM 415 O PRO A 31 18.399 -4.463 -6.482 1.00 0.00 O ATOM 416 CB PRO A 31 16.327 -2.314 -4.951 1.00 0.00 C ATOM 417 CG PRO A 31 17.299 -2.297 -3.822 1.00 0.00 C ATOM 418 CD PRO A 31 17.213 -3.655 -3.181 1.00 0.00 C ATOM 0 HA PRO A 31 15.384 -4.102 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.619 -1.615 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.330 -2.023 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.309 -2.098 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.053 -1.512 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.176 -3.971 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.503 -3.665 -2.354 1.00 0.00 H new ATOM 426 N SER A 32 16.914 -3.387 -7.787 1.00 0.00 N ATOM 427 CA SER A 32 17.746 -3.459 -8.982 1.00 0.00 C ATOM 428 C SER A 32 19.188 -3.077 -8.665 1.00 0.00 C ATOM 429 O SER A 32 20.122 -3.815 -8.981 1.00 0.00 O ATOM 430 CB SER A 32 17.191 -2.540 -10.072 1.00 0.00 C ATOM 431 OG SER A 32 17.706 -1.226 -9.942 1.00 0.00 O ATOM 0 H SER A 32 16.019 -2.917 -7.924 1.00 0.00 H new ATOM 0 HA SER A 32 17.732 -4.488 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.447 -2.939 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.103 -2.515 -10.012 1.00 0.00 H new ATOM 0 HG SER A 32 17.907 -0.864 -10.830 1.00 0.00 H new ATOM 437 N SER A 33 19.362 -1.919 -8.037 1.00 0.00 N ATOM 438 CA SER A 33 20.691 -1.435 -7.679 1.00 0.00 C ATOM 439 C SER A 33 20.599 -0.155 -6.854 1.00 0.00 C ATOM 440 O SER A 33 19.507 0.300 -6.511 1.00 0.00 O ATOM 441 CB SER A 33 21.522 -1.186 -8.939 1.00 0.00 C ATOM 442 OG SER A 33 22.909 -1.226 -8.650 1.00 0.00 O ATOM 0 H SER A 33 18.600 -1.298 -7.765 1.00 0.00 H new ATOM 0 HA SER A 33 21.180 -2.200 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 33 21.282 -1.937 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.263 -0.216 -9.363 1.00 0.00 H new ATOM 0 HG SER A 33 23.419 -1.066 -9.471 1.00 0.00 H new ATOM 448 N LEU A 34 21.753 0.423 -6.540 1.00 0.00 N ATOM 449 CA LEU A 34 21.805 1.652 -5.756 1.00 0.00 C ATOM 450 C LEU A 34 23.020 2.491 -6.138 1.00 0.00 C ATOM 451 O LEU A 34 24.162 2.086 -5.916 1.00 0.00 O ATOM 452 CB LEU A 34 21.846 1.325 -4.262 1.00 0.00 C ATOM 453 CG LEU A 34 22.609 2.314 -3.379 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.861 3.635 -3.289 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.831 1.729 -1.992 1.00 0.00 C ATOM 0 H LEU A 34 22.665 0.060 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 34 20.906 2.230 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.821 1.258 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.293 0.339 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 34 23.582 2.501 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.418 4.326 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.754 4.061 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.874 3.466 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.375 2.446 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.868 1.512 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.409 0.809 -2.074 1.00 0.00 H new ATOM 467 N HIS A 35 22.767 3.663 -6.712 1.00 0.00 N ATOM 468 CA HIS A 35 23.841 4.561 -7.123 1.00 0.00 C ATOM 469 C HIS A 35 24.075 5.643 -6.073 1.00 0.00 C ATOM 470 O HIS A 35 23.132 6.133 -5.451 1.00 0.00 O ATOM 471 CB HIS A 35 23.509 5.203 -8.470 1.00 0.00 C ATOM 472 CG HIS A 35 24.342 6.409 -8.780 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.801 7.651 -9.036 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.684 6.558 -8.871 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.775 8.512 -9.274 1.00 0.00 C ATOM 476 NE2 HIS A 35 25.928 7.874 -9.180 1.00 0.00 N ATOM 0 H HIS A 35 21.828 4.013 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 35 24.754 3.975 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.647 4.464 -9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.457 5.486 -8.479 1.00 0.00 H new ATOM 0 HD1 HIS A 35 22.805 7.871 -9.041 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.425 5.786 -8.727 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.650 9.559 -9.506 1.00 0.00 H new ATOM 485 N VAL A 36 25.337 6.011 -5.882 1.00 0.00 N ATOM 486 CA VAL A 36 25.696 7.036 -4.908 1.00 0.00 C ATOM 487 C VAL A 36 26.720 8.007 -5.483 1.00 0.00 C ATOM 488 O VAL A 36 27.585 7.619 -6.269 1.00 0.00 O ATOM 489 CB VAL A 36 26.263 6.411 -3.619 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.141 5.857 -2.755 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.275 5.326 -3.955 1.00 0.00 C ATOM 0 H VAL A 36 26.129 5.615 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 36 24.782 7.579 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 36 26.774 7.189 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.561 5.420 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.458 6.662 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.599 5.091 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.666 4.895 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.791 4.547 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.094 5.758 -4.529 1.00 0.00 H new ATOM 501 N ARG A 37 26.618 9.271 -5.087 1.00 0.00 N ATOM 502 CA ARG A 37 27.535 10.298 -5.564 1.00 0.00 C ATOM 503 C ARG A 37 28.102 11.105 -4.399 1.00 0.00 C ATOM 504 O ARG A 37 27.393 11.857 -3.730 1.00 0.00 O ATOM 505 CB ARG A 37 26.825 11.231 -6.546 1.00 0.00 C ATOM 506 CG ARG A 37 27.746 11.820 -7.602 1.00 0.00 C ATOM 507 CD ARG A 37 28.434 13.080 -7.100 1.00 0.00 C ATOM 508 NE ARG A 37 29.569 13.455 -7.940 1.00 0.00 N ATOM 509 CZ ARG A 37 30.231 14.599 -7.813 1.00 0.00 C ATOM 510 NH1 ARG A 37 29.875 15.475 -6.884 1.00 0.00 N ATOM 511 NH2 ARG A 37 31.253 14.868 -8.615 1.00 0.00 N ATOM 0 H ARG A 37 25.909 9.609 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 37 28.360 9.802 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.024 10.682 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.358 12.044 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.497 11.082 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.172 12.050 -8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.716 13.899 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 37 28.776 12.923 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 37 29.869 12.802 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 37 29.091 15.271 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 37 30.385 16.353 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 37 31.531 14.196 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 37 31.761 15.747 -8.517 1.00 0.00 H new ATOM 525 N PRO A 38 29.410 10.945 -4.149 1.00 0.00 N ATOM 526 CA PRO A 38 30.100 11.650 -3.064 1.00 0.00 C ATOM 527 C PRO A 38 30.234 13.144 -3.337 1.00 0.00 C ATOM 528 O PRO A 38 30.801 13.552 -4.352 1.00 0.00 O ATOM 529 CB PRO A 38 31.479 10.986 -3.031 1.00 0.00 C ATOM 530 CG PRO A 38 31.680 10.461 -4.411 1.00 0.00 C ATOM 531 CD PRO A 38 30.316 10.065 -4.905 1.00 0.00 C ATOM 0 HA PRO A 38 29.556 11.581 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.256 11.701 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.515 10.184 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.124 11.219 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.358 9.607 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.219 10.216 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.108 9.013 -4.711 1.00 0.00 H new ATOM 539 N LEU A 39 29.711 13.957 -2.426 1.00 0.00 N ATOM 540 CA LEU A 39 29.773 15.407 -2.568 1.00 0.00 C ATOM 541 C LEU A 39 30.594 16.030 -1.443 1.00 0.00 C ATOM 542 O LEU A 39 30.708 15.463 -0.356 1.00 0.00 O ATOM 543 CB LEU A 39 28.363 15.999 -2.574 1.00 0.00 C ATOM 544 CG LEU A 39 27.674 16.077 -3.937 1.00 0.00 C ATOM 545 CD1 LEU A 39 27.042 14.740 -4.293 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.627 17.182 -3.943 1.00 0.00 C ATOM 0 H LEU A 39 29.239 13.636 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 39 30.260 15.634 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.738 15.405 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.411 17.004 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 39 28.426 16.312 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.556 14.815 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.814 13.971 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.302 14.475 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.147 17.223 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.877 16.977 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.106 18.138 -3.734 1.00 0.00 H new ATOM 558 N VAL A 40 31.162 17.202 -1.710 1.00 0.00 N ATOM 559 CA VAL A 40 31.969 17.904 -0.720 1.00 0.00 C ATOM 560 C VAL A 40 31.479 17.613 0.694 1.00 0.00 C ATOM 561 O VAL A 40 32.116 16.873 1.445 1.00 0.00 O ATOM 562 CB VAL A 40 31.949 19.426 -0.956 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.680 20.150 0.164 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.559 19.763 -2.308 1.00 0.00 C ATOM 0 H VAL A 40 31.078 17.685 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 40 32.991 17.541 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 40 30.912 19.763 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.655 21.224 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.194 19.934 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.716 19.812 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.537 20.842 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.591 19.414 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.987 19.275 -3.097 1.00 0.00 H new ATOM 574 N THR A 41 30.342 18.201 1.053 1.00 0.00 N ATOM 575 CA THR A 41 29.766 18.006 2.378 1.00 0.00 C ATOM 576 C THR A 41 28.414 17.307 2.292 1.00 0.00 C ATOM 577 O THR A 41 27.578 17.440 3.186 1.00 0.00 O ATOM 578 CB THR A 41 29.592 19.346 3.117 1.00 0.00 C ATOM 579 OG1 THR A 41 28.946 20.297 2.263 1.00 0.00 O ATOM 580 CG2 THR A 41 30.938 19.894 3.568 1.00 0.00 C ATOM 0 H THR A 41 29.802 18.816 0.445 1.00 0.00 H new ATOM 0 HA THR A 41 30.461 17.379 2.936 1.00 0.00 H new ATOM 0 HB THR A 41 28.974 19.172 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.838 21.146 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.790 20.841 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.414 19.181 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.576 20.053 2.699 1.00 0.00 H new ATOM 588 N SER A 42 28.206 16.562 1.211 1.00 0.00 N ATOM 589 CA SER A 42 26.953 15.844 1.008 1.00 0.00 C ATOM 590 C SER A 42 27.183 14.568 0.203 1.00 0.00 C ATOM 591 O SER A 42 28.316 14.241 -0.151 1.00 0.00 O ATOM 592 CB SER A 42 25.940 16.738 0.290 1.00 0.00 C ATOM 593 OG SER A 42 26.580 17.585 -0.647 1.00 0.00 O ATOM 0 H SER A 42 28.888 16.440 0.463 1.00 0.00 H new ATOM 0 HA SER A 42 26.556 15.570 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.202 16.119 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.401 17.341 1.021 1.00 0.00 H new ATOM 0 HG SER A 42 25.910 18.144 -1.093 1.00 0.00 H new ATOM 599 N ILE A 43 26.100 13.853 -0.083 1.00 0.00 N ATOM 600 CA ILE A 43 26.182 12.615 -0.847 1.00 0.00 C ATOM 601 C ILE A 43 24.834 12.259 -1.464 1.00 0.00 C ATOM 602 O ILE A 43 23.903 11.862 -0.764 1.00 0.00 O ATOM 603 CB ILE A 43 26.657 11.442 0.032 1.00 0.00 C ATOM 604 CG1 ILE A 43 28.033 11.747 0.628 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.699 10.156 -0.779 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.661 10.566 1.334 1.00 0.00 C ATOM 0 H ILE A 43 25.155 14.110 0.203 1.00 0.00 H new ATOM 0 HA ILE A 43 26.910 12.782 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 43 25.949 11.310 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.699 12.080 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.940 12.574 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 43 27.036 9.337 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.702 9.933 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.388 10.275 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.634 10.855 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 43 28.016 10.246 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.787 9.745 0.628 1.00 0.00 H new ATOM 618 N VAL A 44 24.737 12.403 -2.782 1.00 0.00 N ATOM 619 CA VAL A 44 23.504 12.094 -3.496 1.00 0.00 C ATOM 620 C VAL A 44 23.290 10.588 -3.598 1.00 0.00 C ATOM 621 O VAL A 44 23.997 9.898 -4.332 1.00 0.00 O ATOM 622 CB VAL A 44 23.510 12.697 -4.913 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.276 12.257 -5.686 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.593 14.215 -4.845 1.00 0.00 C ATOM 0 H VAL A 44 25.498 12.732 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 44 22.688 12.536 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 44 24.390 12.331 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.298 12.693 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.264 11.170 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.380 12.592 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.596 14.625 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.733 14.602 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.510 14.507 -4.332 1.00 0.00 H new ATOM 634 N VAL A 45 22.310 10.084 -2.855 1.00 0.00 N ATOM 635 CA VAL A 45 22.001 8.659 -2.862 1.00 0.00 C ATOM 636 C VAL A 45 20.792 8.363 -3.743 1.00 0.00 C ATOM 637 O VAL A 45 19.649 8.564 -3.333 1.00 0.00 O ATOM 638 CB VAL A 45 21.726 8.137 -1.439 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.384 6.655 -1.471 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.922 8.398 -0.536 1.00 0.00 C ATOM 0 H VAL A 45 21.716 10.641 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 45 22.875 8.148 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 45 20.869 8.674 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.193 6.304 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.495 6.500 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.219 6.098 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.711 8.023 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.798 7.889 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.115 9.470 -0.489 1.00 0.00 H new ATOM 650 N SER A 46 21.053 7.884 -4.955 1.00 0.00 N ATOM 651 CA SER A 46 19.986 7.563 -5.896 1.00 0.00 C ATOM 652 C SER A 46 19.852 6.053 -6.071 1.00 0.00 C ATOM 653 O SER A 46 20.842 5.351 -6.273 1.00 0.00 O ATOM 654 CB SER A 46 20.256 8.223 -7.250 1.00 0.00 C ATOM 655 OG SER A 46 21.300 7.560 -7.941 1.00 0.00 O ATOM 0 H SER A 46 21.994 7.710 -5.308 1.00 0.00 H new ATOM 0 HA SER A 46 19.050 7.949 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.348 8.207 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.521 9.270 -7.101 1.00 0.00 H new ATOM 0 HG SER A 46 21.011 7.358 -8.855 1.00 0.00 H new ATOM 661 N TRP A 47 18.620 5.562 -5.990 1.00 0.00 N ATOM 662 CA TRP A 47 18.355 4.136 -6.140 1.00 0.00 C ATOM 663 C TRP A 47 17.132 3.898 -7.018 1.00 0.00 C ATOM 664 O TRP A 47 16.485 4.844 -7.468 1.00 0.00 O ATOM 665 CB TRP A 47 18.148 3.489 -4.769 1.00 0.00 C ATOM 666 CG TRP A 47 16.911 3.964 -4.069 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.678 3.378 -4.094 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.788 5.126 -3.242 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.796 4.105 -3.332 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.453 5.182 -2.798 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.677 6.124 -2.831 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.987 6.197 -1.966 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.213 7.130 -2.006 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.878 7.161 -1.579 1.00 0.00 C ATOM 0 H TRP A 47 17.790 6.130 -5.821 1.00 0.00 H new ATOM 0 HA TRP A 47 19.219 3.680 -6.623 1.00 0.00 H new ATOM 0 HB2 TRP A 47 18.096 2.407 -4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.015 3.698 -4.142 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.432 2.475 -4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.812 3.880 -3.187 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.708 6.109 -3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.958 6.222 -1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.891 7.907 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.547 7.960 -0.933 1.00 0.00 H new ATOM 685 N THR A 48 16.819 2.629 -7.259 1.00 0.00 N ATOM 686 CA THR A 48 15.674 2.268 -8.085 1.00 0.00 C ATOM 687 C THR A 48 14.932 1.070 -7.502 1.00 0.00 C ATOM 688 O THR A 48 15.482 0.283 -6.732 1.00 0.00 O ATOM 689 CB THR A 48 16.103 1.939 -9.527 1.00 0.00 C ATOM 690 OG1 THR A 48 17.394 1.321 -9.526 1.00 0.00 O ATOM 691 CG2 THR A 48 16.138 3.198 -10.381 1.00 0.00 C ATOM 0 H THR A 48 17.343 1.834 -6.894 1.00 0.00 H new ATOM 0 HA THR A 48 15.010 3.132 -8.100 1.00 0.00 H new ATOM 0 HB THR A 48 15.372 1.251 -9.952 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.294 0.355 -9.394 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.444 2.941 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.146 3.650 -10.404 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.849 3.906 -9.956 1.00 0.00 H new ATOM 699 N PRO A 49 13.652 0.926 -7.877 1.00 0.00 N ATOM 700 CA PRO A 49 12.808 -0.175 -7.404 1.00 0.00 C ATOM 701 C PRO A 49 13.231 -1.520 -7.983 1.00 0.00 C ATOM 702 O PRO A 49 13.882 -1.598 -9.025 1.00 0.00 O ATOM 703 CB PRO A 49 11.413 0.208 -7.905 1.00 0.00 C ATOM 704 CG PRO A 49 11.660 1.079 -9.088 1.00 0.00 C ATOM 705 CD PRO A 49 12.931 1.827 -8.792 1.00 0.00 C ATOM 0 HA PRO A 49 12.869 -0.300 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.834 -0.675 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.848 0.735 -7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.759 0.485 -9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.830 1.767 -9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.504 2.021 -9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.730 2.793 -8.329 1.00 0.00 H new ATOM 713 N PRO A 50 12.854 -2.607 -7.294 1.00 0.00 N ATOM 714 CA PRO A 50 13.183 -3.970 -7.722 1.00 0.00 C ATOM 715 C PRO A 50 12.423 -4.382 -8.978 1.00 0.00 C ATOM 716 O PRO A 50 11.215 -4.172 -9.080 1.00 0.00 O ATOM 717 CB PRO A 50 12.753 -4.830 -6.531 1.00 0.00 C ATOM 718 CG PRO A 50 11.696 -4.031 -5.849 1.00 0.00 C ATOM 719 CD PRO A 50 12.076 -2.589 -6.043 1.00 0.00 C ATOM 0 HA PRO A 50 14.237 -4.073 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.369 -5.796 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.591 -5.029 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.715 -4.237 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.641 -4.281 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.197 -1.949 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.667 -2.213 -5.208 1.00 0.00 H new ATOM 727 N GLU A 51 13.138 -4.971 -9.931 1.00 0.00 N ATOM 728 CA GLU A 51 12.530 -5.412 -11.181 1.00 0.00 C ATOM 729 C GLU A 51 11.129 -5.967 -10.937 1.00 0.00 C ATOM 730 O GLU A 51 10.252 -5.863 -11.793 1.00 0.00 O ATOM 731 CB GLU A 51 13.402 -6.475 -11.851 1.00 0.00 C ATOM 732 CG GLU A 51 14.734 -5.942 -12.352 1.00 0.00 C ATOM 733 CD GLU A 51 15.727 -7.047 -12.656 1.00 0.00 C ATOM 734 OE1 GLU A 51 16.038 -7.835 -11.738 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.193 -7.123 -13.812 1.00 0.00 O ATOM 0 H GLU A 51 14.139 -5.154 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 51 12.451 -4.549 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.587 -7.282 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.855 -6.907 -12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.569 -5.349 -13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.158 -5.273 -11.603 1.00 0.00 H new ATOM 742 N ASN A 52 10.929 -6.557 -9.764 1.00 0.00 N ATOM 743 CA ASN A 52 9.636 -7.130 -9.407 1.00 0.00 C ATOM 744 C ASN A 52 8.775 -6.111 -8.667 1.00 0.00 C ATOM 745 O ASN A 52 8.777 -6.060 -7.437 1.00 0.00 O ATOM 746 CB ASN A 52 9.829 -8.377 -8.541 1.00 0.00 C ATOM 747 CG ASN A 52 8.559 -9.198 -8.420 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.480 -8.660 -8.173 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.684 -10.509 -8.593 1.00 0.00 N ATOM 0 H ASN A 52 11.645 -6.651 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 52 9.124 -7.411 -10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.619 -8.995 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.161 -8.078 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.865 -11.113 -8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.599 -10.912 -8.796 1.00 0.00 H new ATOM 756 N GLN A 53 8.040 -5.304 -9.425 1.00 0.00 N ATOM 757 CA GLN A 53 7.175 -4.286 -8.840 1.00 0.00 C ATOM 758 C GLN A 53 5.899 -4.911 -8.284 1.00 0.00 C ATOM 759 O GLN A 53 5.215 -4.313 -7.455 1.00 0.00 O ATOM 760 CB GLN A 53 6.824 -3.224 -9.884 1.00 0.00 C ATOM 761 CG GLN A 53 7.849 -2.106 -9.982 1.00 0.00 C ATOM 762 CD GLN A 53 7.639 -1.029 -8.936 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.788 -0.153 -9.092 1.00 0.00 O ATOM 764 NE2 GLN A 53 8.417 -1.088 -7.861 1.00 0.00 N ATOM 0 H GLN A 53 8.026 -5.335 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 53 7.715 -3.814 -8.019 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.726 -3.703 -10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.852 -2.795 -9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.849 -2.525 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.799 -1.658 -10.974 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.109 -1.832 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.322 -0.390 -7.124 1.00 0.00 H new ATOM 773 N ASN A 54 5.586 -6.117 -8.747 1.00 0.00 N ATOM 774 CA ASN A 54 4.392 -6.822 -8.296 1.00 0.00 C ATOM 775 C ASN A 54 4.330 -6.868 -6.773 1.00 0.00 C ATOM 776 O ASN A 54 3.275 -7.127 -6.192 1.00 0.00 O ATOM 777 CB ASN A 54 4.369 -8.243 -8.862 1.00 0.00 C ATOM 778 CG ASN A 54 3.897 -8.285 -10.303 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.609 -8.762 -11.187 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.692 -7.783 -10.545 1.00 0.00 N ATOM 0 H ASN A 54 6.142 -6.626 -9.434 1.00 0.00 H new ATOM 0 HA ASN A 54 3.520 -6.279 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.369 -8.673 -8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.715 -8.864 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.321 -7.782 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.137 -7.398 -9.781 1.00 0.00 H new ATOM 787 N ILE A 55 5.466 -6.615 -6.132 1.00 0.00 N ATOM 788 CA ILE A 55 5.540 -6.626 -4.676 1.00 0.00 C ATOM 789 C ILE A 55 5.288 -5.236 -4.102 1.00 0.00 C ATOM 790 O ILE A 55 5.686 -4.229 -4.689 1.00 0.00 O ATOM 791 CB ILE A 55 6.910 -7.131 -4.186 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.316 -8.393 -4.950 1.00 0.00 C ATOM 793 CG2 ILE A 55 6.871 -7.401 -2.690 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.800 -8.682 -4.894 1.00 0.00 C ATOM 0 H ILE A 55 6.348 -6.400 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 55 4.764 -7.307 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 55 7.655 -6.358 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.772 -9.245 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.013 -8.290 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.847 -7.757 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.622 -6.481 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.117 -8.158 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.015 -9.590 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.350 -7.847 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.105 -8.817 -3.856 1.00 0.00 H new ATOM 806 N VAL A 56 4.626 -5.188 -2.951 1.00 0.00 N ATOM 807 CA VAL A 56 4.323 -3.922 -2.295 1.00 0.00 C ATOM 808 C VAL A 56 5.511 -3.429 -1.476 1.00 0.00 C ATOM 809 O VAL A 56 6.187 -4.213 -0.810 1.00 0.00 O ATOM 810 CB VAL A 56 3.094 -4.046 -1.374 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.879 -2.758 -0.594 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.857 -4.402 -2.183 1.00 0.00 C ATOM 0 H VAL A 56 4.289 -6.012 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 56 4.105 -3.202 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 56 3.276 -4.849 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.007 -2.864 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.758 -2.551 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.718 -1.934 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.998 -4.486 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.669 -3.623 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.016 -5.353 -2.691 1.00 0.00 H new ATOM 822 N VAL A 57 5.759 -2.124 -1.529 1.00 0.00 N ATOM 823 CA VAL A 57 6.864 -1.526 -0.791 1.00 0.00 C ATOM 824 C VAL A 57 6.416 -0.268 -0.055 1.00 0.00 C ATOM 825 O VAL A 57 5.982 0.704 -0.674 1.00 0.00 O ATOM 826 CB VAL A 57 8.036 -1.171 -1.725 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.210 -0.626 -0.925 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.454 -2.386 -2.540 1.00 0.00 C ATOM 0 H VAL A 57 5.209 -1.461 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 57 7.199 -2.268 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 57 7.706 -0.395 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.029 -0.381 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.900 0.272 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.543 -1.378 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.283 -2.117 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.767 -3.185 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.612 -2.727 -3.142 1.00 0.00 H new ATOM 838 N ARG A 58 6.526 -0.292 1.269 1.00 0.00 N ATOM 839 CA ARG A 58 6.132 0.846 2.090 1.00 0.00 C ATOM 840 C ARG A 58 7.244 1.890 2.143 1.00 0.00 C ATOM 841 O ARG A 58 7.042 3.003 2.625 1.00 0.00 O ATOM 842 CB ARG A 58 5.784 0.385 3.506 1.00 0.00 C ATOM 843 CG ARG A 58 4.597 -0.564 3.563 1.00 0.00 C ATOM 844 CD ARG A 58 3.280 0.195 3.610 1.00 0.00 C ATOM 845 NE ARG A 58 2.769 0.487 2.273 1.00 0.00 N ATOM 846 CZ ARG A 58 1.768 1.328 2.036 1.00 0.00 C ATOM 847 NH1 ARG A 58 1.175 1.957 3.041 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.360 1.541 0.792 1.00 0.00 N ATOM 0 H ARG A 58 6.885 -1.088 1.796 1.00 0.00 H new ATOM 0 HA ARG A 58 5.251 1.301 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.653 -0.107 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.570 1.259 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.610 -1.218 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.682 -1.203 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.543 -0.391 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.418 1.128 4.157 1.00 0.00 H new ATOM 0 HE ARG A 58 3.204 0.020 1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.487 1.796 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.407 2.602 2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.815 1.059 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.591 2.187 0.611 1.00 0.00 H new ATOM 862 N GLY A 59 8.420 1.520 1.644 1.00 0.00 N ATOM 863 CA GLY A 59 9.547 2.434 1.644 1.00 0.00 C ATOM 864 C GLY A 59 10.878 1.714 1.714 1.00 0.00 C ATOM 865 O GLY A 59 10.924 0.486 1.804 1.00 0.00 O ATOM 0 H GLY A 59 8.612 0.603 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.515 3.045 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.460 3.113 2.492 1.00 0.00 H new ATOM 869 N TYR A 60 11.965 2.476 1.669 1.00 0.00 N ATOM 870 CA TYR A 60 13.304 1.903 1.724 1.00 0.00 C ATOM 871 C TYR A 60 14.117 2.522 2.857 1.00 0.00 C ATOM 872 O TYR A 60 13.828 3.629 3.309 1.00 0.00 O ATOM 873 CB TYR A 60 14.026 2.111 0.391 1.00 0.00 C ATOM 874 CG TYR A 60 13.197 1.724 -0.813 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.221 2.577 -1.312 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.392 0.506 -1.452 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.461 2.227 -2.412 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.638 0.149 -2.553 1.00 0.00 C ATOM 879 CZ TYR A 60 11.674 1.012 -3.029 1.00 0.00 C ATOM 880 OH TYR A 60 10.920 0.661 -4.125 1.00 0.00 O ATOM 0 H TYR A 60 11.945 3.493 1.594 1.00 0.00 H new ATOM 0 HA TYR A 60 13.206 0.834 1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.313 3.159 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.946 1.527 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.053 3.530 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.146 -0.173 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.705 2.901 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.803 -0.802 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 60 11.195 -0.225 -4.441 1.00 0.00 H new ATOM 890 N ALA A 61 15.134 1.797 3.311 1.00 0.00 N ATOM 891 CA ALA A 61 15.991 2.275 4.389 1.00 0.00 C ATOM 892 C ALA A 61 17.405 2.546 3.887 1.00 0.00 C ATOM 893 O ALA A 61 18.017 1.697 3.238 1.00 0.00 O ATOM 894 CB ALA A 61 16.017 1.267 5.528 1.00 0.00 C ATOM 0 H ALA A 61 15.384 0.877 2.949 1.00 0.00 H new ATOM 0 HA ALA A 61 15.579 3.214 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.661 1.637 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.007 1.126 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.402 0.315 5.163 1.00 0.00 H new ATOM 900 N ILE A 62 17.919 3.733 4.192 1.00 0.00 N ATOM 901 CA ILE A 62 19.261 4.115 3.771 1.00 0.00 C ATOM 902 C ILE A 62 20.205 4.209 4.965 1.00 0.00 C ATOM 903 O ILE A 62 20.042 5.066 5.833 1.00 0.00 O ATOM 904 CB ILE A 62 19.256 5.464 3.028 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.292 5.413 1.840 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.661 5.817 2.562 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.701 6.758 1.484 1.00 0.00 C ATOM 0 H ILE A 62 17.426 4.447 4.729 1.00 0.00 H new ATOM 0 HA ILE A 62 19.612 3.337 3.093 1.00 0.00 H new ATOM 0 HB ILE A 62 18.916 6.239 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.818 5.015 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.483 4.719 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.641 6.773 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.323 5.889 3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.026 5.042 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.028 6.646 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.146 7.149 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.502 7.450 1.224 1.00 0.00 H new ATOM 919 N GLY A 63 21.194 3.321 5.002 1.00 0.00 N ATOM 920 CA GLY A 63 22.151 3.322 6.093 1.00 0.00 C ATOM 921 C GLY A 63 23.510 3.846 5.672 1.00 0.00 C ATOM 922 O GLY A 63 24.117 3.332 4.732 1.00 0.00 O ATOM 0 H GLY A 63 21.349 2.601 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.766 3.934 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.259 2.308 6.478 1.00 0.00 H new ATOM 926 N TYR A 64 23.988 4.872 6.368 1.00 0.00 N ATOM 927 CA TYR A 64 25.282 5.468 6.058 1.00 0.00 C ATOM 928 C TYR A 64 26.126 5.623 7.319 1.00 0.00 C ATOM 929 O TYR A 64 25.598 5.723 8.426 1.00 0.00 O ATOM 930 CB TYR A 64 25.092 6.830 5.388 1.00 0.00 C ATOM 931 CG TYR A 64 24.468 7.869 6.293 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.123 7.803 6.634 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.224 8.915 6.806 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.549 8.750 7.460 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.659 9.866 7.634 1.00 0.00 C ATOM 936 CZ TYR A 64 23.321 9.779 7.958 1.00 0.00 C ATOM 937 OH TYR A 64 22.754 10.725 8.781 1.00 0.00 O ATOM 0 H TYR A 64 23.499 5.308 7.150 1.00 0.00 H new ATOM 0 HA TYR A 64 25.805 4.802 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.060 7.194 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.466 6.707 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.516 6.998 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.272 8.986 6.553 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.501 8.685 7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.261 10.673 8.025 1.00 0.00 H new ATOM 0 HH TYR A 64 23.434 11.379 9.045 1.00 0.00 H new ATOM 947 N GLY A 65 27.444 5.643 7.143 1.00 0.00 N ATOM 948 CA GLY A 65 28.342 5.786 8.274 1.00 0.00 C ATOM 949 C GLY A 65 29.775 5.437 7.925 1.00 0.00 C ATOM 950 O GLY A 65 30.022 4.550 7.107 1.00 0.00 O ATOM 0 H GLY A 65 27.906 5.563 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.300 6.812 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.003 5.144 9.087 1.00 0.00 H new ATOM 954 N ILE A 66 30.720 6.135 8.544 1.00 0.00 N ATOM 955 CA ILE A 66 32.136 5.893 8.293 1.00 0.00 C ATOM 956 C ILE A 66 32.573 4.547 8.861 1.00 0.00 C ATOM 957 O ILE A 66 32.827 4.420 10.058 1.00 0.00 O ATOM 958 CB ILE A 66 33.013 7.003 8.901 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.685 8.352 8.258 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.487 6.671 8.725 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.113 9.540 9.092 1.00 0.00 C ATOM 0 H ILE A 66 30.532 6.873 9.223 1.00 0.00 H new ATOM 0 HA ILE A 66 32.268 5.888 7.211 1.00 0.00 H new ATOM 0 HB ILE A 66 32.801 7.069 9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.171 8.409 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.611 8.410 8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.093 7.465 9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.710 5.729 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.715 6.581 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.849 10.462 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.607 9.508 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.192 9.507 9.246 1.00 0.00 H new ATOM 973 N GLY A 67 32.660 3.544 7.992 1.00 0.00 N ATOM 974 CA GLY A 67 33.068 2.221 8.426 1.00 0.00 C ATOM 975 C GLY A 67 31.907 1.248 8.491 1.00 0.00 C ATOM 976 O GLY A 67 32.016 0.110 8.037 1.00 0.00 O ATOM 0 H GLY A 67 32.455 3.624 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.824 1.835 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.534 2.292 9.409 1.00 0.00 H new ATOM 980 N SER A 68 30.793 1.697 9.060 1.00 0.00 N ATOM 981 CA SER A 68 29.608 0.856 9.189 1.00 0.00 C ATOM 982 C SER A 68 28.352 1.621 8.782 1.00 0.00 C ATOM 983 O SER A 68 28.109 2.745 9.223 1.00 0.00 O ATOM 984 CB SER A 68 29.469 0.352 10.626 1.00 0.00 C ATOM 985 OG SER A 68 29.123 1.408 11.506 1.00 0.00 O ATOM 0 H SER A 68 30.686 2.638 9.439 1.00 0.00 H new ATOM 0 HA SER A 68 29.724 0.002 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 68 28.707 -0.426 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.406 -0.101 10.948 1.00 0.00 H new ATOM 0 HG SER A 68 29.038 1.059 12.418 1.00 0.00 H new ATOM 991 N PRO A 69 27.535 0.999 7.920 1.00 0.00 N ATOM 992 CA PRO A 69 26.290 1.601 7.434 1.00 0.00 C ATOM 993 C PRO A 69 25.228 1.696 8.524 1.00 0.00 C ATOM 994 O PRO A 69 24.273 2.466 8.410 1.00 0.00 O ATOM 995 CB PRO A 69 25.838 0.642 6.330 1.00 0.00 C ATOM 996 CG PRO A 69 26.452 -0.667 6.692 1.00 0.00 C ATOM 997 CD PRO A 69 27.763 -0.341 7.353 1.00 0.00 C ATOM 0 HA PRO A 69 26.440 2.625 7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.751 0.571 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.174 0.980 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.805 -1.229 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.604 -1.285 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.015 -1.067 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.585 -0.340 6.637 1.00 0.00 H new ATOM 1005 N HIS A 70 25.400 0.910 9.582 1.00 0.00 N ATOM 1006 CA HIS A 70 24.456 0.907 10.694 1.00 0.00 C ATOM 1007 C HIS A 70 24.556 2.202 11.495 1.00 0.00 C ATOM 1008 O HIS A 70 23.622 2.578 12.203 1.00 0.00 O ATOM 1009 CB HIS A 70 24.715 -0.292 11.607 1.00 0.00 C ATOM 1010 CG HIS A 70 24.011 -1.540 11.171 1.00 0.00 C ATOM 1011 ND1 HIS A 70 22.964 -2.098 11.874 1.00 0.00 N ATOM 1012 CD2 HIS A 70 24.207 -2.338 10.096 1.00 0.00 C ATOM 1013 CE1 HIS A 70 22.548 -3.186 11.251 1.00 0.00 C ATOM 1014 NE2 HIS A 70 23.286 -3.354 10.169 1.00 0.00 N ATOM 0 H HIS A 70 26.184 0.267 9.693 1.00 0.00 H new ATOM 0 HA HIS A 70 23.449 0.831 10.283 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.787 -0.484 11.645 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.400 -0.042 12.620 1.00 0.00 H new ATOM 0 HD2 HIS A 70 24.950 -2.201 9.324 1.00 0.00 H new ATOM 0 HE1 HIS A 70 21.742 -3.829 11.572 1.00 0.00 H new ATOM 0 HE2 HIS A 70 23.188 -4.115 9.497 1.00 0.00 H new ATOM 1023 N ALA A 71 25.693 2.878 11.378 1.00 0.00 N ATOM 1024 CA ALA A 71 25.914 4.131 12.089 1.00 0.00 C ATOM 1025 C ALA A 71 24.650 4.984 12.104 1.00 0.00 C ATOM 1026 O ALA A 71 24.241 5.485 13.151 1.00 0.00 O ATOM 1027 CB ALA A 71 27.065 4.901 11.459 1.00 0.00 C ATOM 0 H ALA A 71 26.476 2.579 10.797 1.00 0.00 H new ATOM 0 HA ALA A 71 26.173 3.893 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.218 5.834 12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.974 4.301 11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.829 5.120 10.418 1.00 0.00 H new ATOM 1033 N GLN A 72 24.037 5.145 10.935 1.00 0.00 N ATOM 1034 CA GLN A 72 22.820 5.939 10.815 1.00 0.00 C ATOM 1035 C GLN A 72 21.837 5.286 9.849 1.00 0.00 C ATOM 1036 O GLN A 72 22.228 4.500 8.985 1.00 0.00 O ATOM 1037 CB GLN A 72 23.155 7.355 10.341 1.00 0.00 C ATOM 1038 CG GLN A 72 23.811 8.215 11.409 1.00 0.00 C ATOM 1039 CD GLN A 72 25.300 7.960 11.531 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.805 7.672 12.616 1.00 0.00 O ATOM 1041 NE2 GLN A 72 26.012 8.065 10.415 1.00 0.00 N ATOM 0 H GLN A 72 24.363 4.737 10.059 1.00 0.00 H new ATOM 0 HA GLN A 72 22.353 5.993 11.798 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.818 7.293 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.240 7.843 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.644 9.267 11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.333 8.022 12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.552 8.306 9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 72 27.019 7.905 10.436 1.00 0.00 H new ATOM 1050 N THR A 73 20.558 5.616 10.001 1.00 0.00 N ATOM 1051 CA THR A 73 19.519 5.060 9.144 1.00 0.00 C ATOM 1052 C THR A 73 18.461 6.107 8.813 1.00 0.00 C ATOM 1053 O THR A 73 18.113 6.937 9.652 1.00 0.00 O ATOM 1054 CB THR A 73 18.835 3.847 9.804 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.822 2.903 10.235 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.872 3.176 8.836 1.00 0.00 C ATOM 0 H THR A 73 20.217 6.266 10.710 1.00 0.00 H new ATOM 0 HA THR A 73 20.007 4.737 8.225 1.00 0.00 H new ATOM 0 HB THR A 73 18.270 4.201 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.380 2.136 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.401 2.323 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.105 3.889 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.419 2.835 7.957 1.00 0.00 H new ATOM 1064 N ILE A 74 17.955 6.061 7.585 1.00 0.00 N ATOM 1065 CA ILE A 74 16.935 7.005 7.145 1.00 0.00 C ATOM 1066 C ILE A 74 15.860 6.308 6.319 1.00 0.00 C ATOM 1067 O ILE A 74 16.103 5.895 5.184 1.00 0.00 O ATOM 1068 CB ILE A 74 17.548 8.147 6.311 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.522 8.963 7.163 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.451 9.039 5.749 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.406 9.885 6.353 1.00 0.00 C ATOM 0 H ILE A 74 18.234 5.381 6.878 1.00 0.00 H new ATOM 0 HA ILE A 74 16.483 7.424 8.044 1.00 0.00 H new ATOM 0 HB ILE A 74 18.100 7.714 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.955 9.555 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.150 8.281 7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.899 9.841 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.792 8.448 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.875 9.468 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.071 10.432 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.999 9.297 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.786 10.591 5.801 1.00 0.00 H new ATOM 1083 N LYS A 75 14.669 6.180 6.894 1.00 0.00 N ATOM 1084 CA LYS A 75 13.554 5.535 6.211 1.00 0.00 C ATOM 1085 C LYS A 75 12.643 6.571 5.560 1.00 0.00 C ATOM 1086 O LYS A 75 12.088 7.437 6.237 1.00 0.00 O ATOM 1087 CB LYS A 75 12.752 4.681 7.195 1.00 0.00 C ATOM 1088 CG LYS A 75 13.544 3.528 7.786 1.00 0.00 C ATOM 1089 CD LYS A 75 12.641 2.543 8.509 1.00 0.00 C ATOM 1090 CE LYS A 75 13.416 1.720 9.526 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.490 2.399 10.850 1.00 0.00 N ATOM 0 H LYS A 75 14.451 6.515 7.832 1.00 0.00 H new ATOM 0 HA LYS A 75 13.961 4.893 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.392 5.316 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.873 4.284 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.085 3.012 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.290 3.916 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.839 3.084 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.171 1.879 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.940 0.746 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.424 1.539 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.026 1.806 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.967 3.317 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.529 2.549 11.217 1.00 0.00 H new ATOM 1105 N VAL A 76 12.492 6.476 4.243 1.00 0.00 N ATOM 1106 CA VAL A 76 11.646 7.403 3.501 1.00 0.00 C ATOM 1107 C VAL A 76 10.623 6.655 2.653 1.00 0.00 C ATOM 1108 O VAL A 76 10.815 5.486 2.318 1.00 0.00 O ATOM 1109 CB VAL A 76 12.482 8.318 2.588 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.380 9.223 3.417 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.303 7.490 1.611 1.00 0.00 C ATOM 0 H VAL A 76 12.945 5.766 3.668 1.00 0.00 H new ATOM 0 HA VAL A 76 11.125 8.015 4.238 1.00 0.00 H new ATOM 0 HB VAL A 76 11.802 8.947 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.963 9.862 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.767 9.842 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.054 8.614 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.888 8.153 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.975 6.834 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.636 6.889 0.994 1.00 0.00 H new ATOM 1121 N ASP A 77 9.537 7.337 2.308 1.00 0.00 N ATOM 1122 CA ASP A 77 8.483 6.738 1.497 1.00 0.00 C ATOM 1123 C ASP A 77 9.068 6.053 0.266 1.00 0.00 C ATOM 1124 O ASP A 77 10.278 6.087 0.040 1.00 0.00 O ATOM 1125 CB ASP A 77 7.470 7.802 1.071 1.00 0.00 C ATOM 1126 CG ASP A 77 8.134 9.104 0.668 1.00 0.00 C ATOM 1127 OD1 ASP A 77 8.586 9.843 1.568 1.00 0.00 O ATOM 1128 OD2 ASP A 77 8.201 9.386 -0.547 1.00 0.00 O ATOM 0 H ASP A 77 9.363 8.305 2.577 1.00 0.00 H new ATOM 0 HA ASP A 77 7.976 5.987 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.880 7.424 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.777 7.989 1.891 1.00 0.00 H new ATOM 1133 N TYR A 78 8.202 5.431 -0.526 1.00 0.00 N ATOM 1134 CA TYR A 78 8.633 4.735 -1.732 1.00 0.00 C ATOM 1135 C TYR A 78 8.868 5.718 -2.875 1.00 0.00 C ATOM 1136 O TYR A 78 9.910 5.690 -3.530 1.00 0.00 O ATOM 1137 CB TYR A 78 7.590 3.695 -2.146 1.00 0.00 C ATOM 1138 CG TYR A 78 6.183 4.243 -2.218 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.690 4.793 -3.395 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.347 4.213 -1.108 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.405 5.296 -3.465 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.061 4.712 -1.169 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.594 5.253 -2.350 1.00 0.00 C ATOM 1144 OH TYR A 78 2.314 5.752 -2.414 1.00 0.00 O ATOM 0 H TYR A 78 7.197 5.395 -0.354 1.00 0.00 H new ATOM 0 HA TYR A 78 9.574 4.230 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.862 3.288 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.613 2.868 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.322 4.828 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.710 3.792 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.038 5.720 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.424 4.679 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 78 1.877 5.644 -1.544 1.00 0.00 H new ATOM 1154 N LYS A 79 7.891 6.589 -3.107 1.00 0.00 N ATOM 1155 CA LYS A 79 7.990 7.584 -4.168 1.00 0.00 C ATOM 1156 C LYS A 79 9.403 8.153 -4.252 1.00 0.00 C ATOM 1157 O LYS A 79 9.866 8.530 -5.327 1.00 0.00 O ATOM 1158 CB LYS A 79 6.987 8.715 -3.929 1.00 0.00 C ATOM 1159 CG LYS A 79 5.573 8.379 -4.372 1.00 0.00 C ATOM 1160 CD LYS A 79 5.303 8.861 -5.787 1.00 0.00 C ATOM 1161 CE LYS A 79 5.544 7.758 -6.807 1.00 0.00 C ATOM 1162 NZ LYS A 79 4.305 6.980 -7.085 1.00 0.00 N ATOM 0 H LYS A 79 7.022 6.626 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 79 7.758 7.094 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.977 8.962 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.323 9.605 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.420 7.301 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.858 8.836 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.273 9.210 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.946 9.712 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.914 8.195 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.320 7.086 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.510 6.238 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.966 6.542 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.572 7.616 -7.460 1.00 0.00 H new ATOM 1176 N GLN A 80 10.081 8.209 -3.110 1.00 0.00 N ATOM 1177 CA GLN A 80 11.442 8.731 -3.056 1.00 0.00 C ATOM 1178 C GLN A 80 12.378 7.901 -3.928 1.00 0.00 C ATOM 1179 O GLN A 80 12.485 6.686 -3.759 1.00 0.00 O ATOM 1180 CB GLN A 80 11.948 8.746 -1.613 1.00 0.00 C ATOM 1181 CG GLN A 80 11.414 9.909 -0.793 1.00 0.00 C ATOM 1182 CD GLN A 80 11.349 11.200 -1.585 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.354 11.894 -1.745 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.164 11.529 -2.085 1.00 0.00 N ATOM 0 H GLN A 80 9.711 7.900 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 80 11.429 9.751 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.667 7.811 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.037 8.786 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.418 9.662 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.049 10.055 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.358 10.924 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.059 12.387 -2.627 1.00 0.00 H new ATOM 1193 N ARG A 81 13.055 8.564 -4.860 1.00 0.00 N ATOM 1194 CA ARG A 81 13.981 7.886 -5.759 1.00 0.00 C ATOM 1195 C ARG A 81 15.425 8.098 -5.312 1.00 0.00 C ATOM 1196 O ARG A 81 16.295 7.268 -5.577 1.00 0.00 O ATOM 1197 CB ARG A 81 13.799 8.394 -7.190 1.00 0.00 C ATOM 1198 CG ARG A 81 14.154 7.365 -8.251 1.00 0.00 C ATOM 1199 CD ARG A 81 14.716 8.024 -9.501 1.00 0.00 C ATOM 1200 NE ARG A 81 13.661 8.462 -10.411 1.00 0.00 N ATOM 1201 CZ ARG A 81 12.941 7.631 -11.155 1.00 0.00 C ATOM 1202 NH1 ARG A 81 13.160 6.325 -11.098 1.00 0.00 N ATOM 1203 NH2 ARG A 81 11.998 8.106 -11.959 1.00 0.00 N ATOM 0 H ARG A 81 12.980 9.570 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 81 13.762 6.819 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.763 8.703 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.418 9.280 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.885 6.663 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.267 6.788 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.327 8.880 -9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.372 7.322 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 81 13.467 9.461 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.884 5.956 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.605 5.689 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.826 9.110 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.445 7.467 -12.530 1.00 0.00 H new ATOM 1217 N TYR A 82 15.672 9.214 -4.635 1.00 0.00 N ATOM 1218 CA TYR A 82 17.010 9.536 -4.154 1.00 0.00 C ATOM 1219 C TYR A 82 16.944 10.400 -2.898 1.00 0.00 C ATOM 1220 O TYR A 82 15.899 10.964 -2.573 1.00 0.00 O ATOM 1221 CB TYR A 82 17.805 10.259 -5.242 1.00 0.00 C ATOM 1222 CG TYR A 82 17.443 11.719 -5.388 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.225 12.102 -5.937 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.318 12.717 -4.976 1.00 0.00 C ATOM 1225 CE1 TYR A 82 15.891 13.435 -6.073 1.00 0.00 C ATOM 1226 CE2 TYR A 82 17.991 14.053 -5.107 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.777 14.407 -5.656 1.00 0.00 C ATOM 1228 OH TYR A 82 16.446 15.736 -5.788 1.00 0.00 O ATOM 0 H TYR A 82 14.963 9.911 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 82 17.514 8.602 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.869 10.178 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.641 9.756 -6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.528 11.344 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.270 12.443 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.941 13.715 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.683 14.816 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 82 17.178 16.291 -5.446 1.00 0.00 H new ATOM 1238 N TYR A 83 18.068 10.498 -2.197 1.00 0.00 N ATOM 1239 CA TYR A 83 18.140 11.291 -0.976 1.00 0.00 C ATOM 1240 C TYR A 83 19.468 12.036 -0.886 1.00 0.00 C ATOM 1241 O TYR A 83 20.526 11.483 -1.192 1.00 0.00 O ATOM 1242 CB TYR A 83 17.961 10.395 0.251 1.00 0.00 C ATOM 1243 CG TYR A 83 17.806 11.162 1.544 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.917 11.597 2.255 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.546 11.452 2.055 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.779 12.298 3.438 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.399 12.153 3.236 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.518 12.573 3.924 1.00 0.00 C ATOM 1249 OH TYR A 83 17.377 13.272 5.101 1.00 0.00 O ATOM 0 H TYR A 83 18.942 10.038 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 83 17.334 12.025 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.084 9.765 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.821 9.730 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.906 11.384 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.667 11.124 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.654 12.629 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.413 12.371 3.619 1.00 0.00 H new ATOM 0 HH TYR A 83 16.425 13.383 5.303 1.00 0.00 H new ATOM 1259 N THR A 84 19.407 13.295 -0.464 1.00 0.00 N ATOM 1260 CA THR A 84 20.603 14.116 -0.334 1.00 0.00 C ATOM 1261 C THR A 84 21.101 14.140 1.107 1.00 0.00 C ATOM 1262 O THR A 84 20.604 14.906 1.933 1.00 0.00 O ATOM 1263 CB THR A 84 20.345 15.562 -0.799 1.00 0.00 C ATOM 1264 OG1 THR A 84 19.881 15.565 -2.153 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.610 16.400 -0.690 1.00 0.00 C ATOM 0 H THR A 84 18.541 13.768 -0.206 1.00 0.00 H new ATOM 0 HA THR A 84 21.365 13.667 -0.971 1.00 0.00 H new ATOM 0 HB THR A 84 19.583 15.997 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.718 16.487 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.403 17.417 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.945 16.420 0.347 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.390 15.965 -1.315 1.00 0.00 H new ATOM 1273 N ILE A 85 22.084 13.296 1.402 1.00 0.00 N ATOM 1274 CA ILE A 85 22.650 13.222 2.743 1.00 0.00 C ATOM 1275 C ILE A 85 23.532 14.431 3.036 1.00 0.00 C ATOM 1276 O ILE A 85 24.537 14.656 2.363 1.00 0.00 O ATOM 1277 CB ILE A 85 23.479 11.938 2.935 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.628 10.705 2.623 1.00 0.00 C ATOM 1279 CG2 ILE A 85 24.025 11.867 4.353 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.392 9.403 2.725 1.00 0.00 C ATOM 0 H ILE A 85 22.505 12.654 0.730 1.00 0.00 H new ATOM 0 HA ILE A 85 21.811 13.210 3.438 1.00 0.00 H new ATOM 0 HB ILE A 85 24.321 11.960 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.781 10.675 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.220 10.800 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.608 10.954 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.661 12.732 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.197 11.864 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.727 8.572 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.223 9.413 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.777 9.286 3.738 1.00 0.00 H new ATOM 1292 N GLU A 86 23.148 15.206 4.046 1.00 0.00 N ATOM 1293 CA GLU A 86 23.905 16.392 4.428 1.00 0.00 C ATOM 1294 C GLU A 86 24.516 16.224 5.817 1.00 0.00 C ATOM 1295 O GLU A 86 24.289 15.218 6.488 1.00 0.00 O ATOM 1296 CB GLU A 86 23.005 17.629 4.401 1.00 0.00 C ATOM 1297 CG GLU A 86 22.542 18.015 3.007 1.00 0.00 C ATOM 1298 CD GLU A 86 21.820 19.348 2.980 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.975 19.584 3.868 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.100 20.155 2.069 1.00 0.00 O ATOM 0 H GLU A 86 22.318 15.034 4.614 1.00 0.00 H new ATOM 0 HA GLU A 86 24.713 16.523 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.132 17.446 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.543 18.469 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.404 18.059 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.880 17.240 2.620 1.00 0.00 H new ATOM 1307 N ASN A 87 25.292 17.217 6.239 1.00 0.00 N ATOM 1308 CA ASN A 87 25.937 17.179 7.547 1.00 0.00 C ATOM 1309 C ASN A 87 26.956 16.046 7.618 1.00 0.00 C ATOM 1310 O ASN A 87 26.920 15.220 8.532 1.00 0.00 O ATOM 1311 CB ASN A 87 24.890 17.009 8.650 1.00 0.00 C ATOM 1312 CG ASN A 87 23.599 17.740 8.339 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.528 18.965 8.433 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.569 16.989 7.967 1.00 0.00 N ATOM 0 H ASN A 87 25.489 18.057 5.695 1.00 0.00 H new ATOM 0 HA ASN A 87 26.460 18.124 7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.680 15.948 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.295 17.378 9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.674 17.425 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.673 15.976 7.903 1.00 0.00 H new ATOM 1321 N LEU A 88 27.864 16.012 6.649 1.00 0.00 N ATOM 1322 CA LEU A 88 28.895 14.981 6.602 1.00 0.00 C ATOM 1323 C LEU A 88 30.287 15.603 6.582 1.00 0.00 C ATOM 1324 O LEU A 88 30.435 16.812 6.404 1.00 0.00 O ATOM 1325 CB LEU A 88 28.701 14.096 5.369 1.00 0.00 C ATOM 1326 CG LEU A 88 27.318 13.465 5.206 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.210 12.756 3.865 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.034 12.499 6.347 1.00 0.00 C ATOM 0 H LEU A 88 27.907 16.687 5.885 1.00 0.00 H new ATOM 0 HA LEU A 88 28.804 14.369 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.913 14.692 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.441 13.297 5.400 1.00 0.00 H new ATOM 0 HG LEU A 88 26.572 14.259 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.219 12.313 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.368 13.474 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.965 11.972 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.045 12.060 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.785 11.709 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.068 13.036 7.295 1.00 0.00 H new ATOM 1340 N ASP A 89 31.305 14.769 6.764 1.00 0.00 N ATOM 1341 CA ASP A 89 32.686 15.236 6.764 1.00 0.00 C ATOM 1342 C ASP A 89 33.339 15.000 5.405 1.00 0.00 C ATOM 1343 O ASP A 89 33.333 13.891 4.871 1.00 0.00 O ATOM 1344 CB ASP A 89 33.486 14.529 7.858 1.00 0.00 C ATOM 1345 CG ASP A 89 34.948 14.933 7.860 1.00 0.00 C ATOM 1346 OD1 ASP A 89 35.228 16.143 7.990 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.811 14.040 7.730 1.00 0.00 O ATOM 0 H ASP A 89 31.199 13.766 6.913 1.00 0.00 H new ATOM 0 HA ASP A 89 32.682 16.308 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.048 14.757 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.410 13.450 7.720 1.00 0.00 H new ATOM 1352 N PRO A 90 33.916 16.067 4.832 1.00 0.00 N ATOM 1353 CA PRO A 90 34.583 16.001 3.529 1.00 0.00 C ATOM 1354 C PRO A 90 35.883 15.205 3.583 1.00 0.00 C ATOM 1355 O PRO A 90 36.575 15.197 4.601 1.00 0.00 O ATOM 1356 CB PRO A 90 34.868 17.469 3.202 1.00 0.00 C ATOM 1357 CG PRO A 90 34.934 18.147 4.527 1.00 0.00 C ATOM 1358 CD PRO A 90 33.960 17.420 5.413 1.00 0.00 C ATOM 0 HA PRO A 90 33.971 15.495 2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.804 17.578 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.082 17.895 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.943 18.104 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.670 19.201 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.296 17.402 6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.978 17.893 5.405 1.00 0.00 H new ATOM 1366 N SER A 91 36.209 14.538 2.480 1.00 0.00 N ATOM 1367 CA SER A 91 37.424 13.736 2.404 1.00 0.00 C ATOM 1368 C SER A 91 37.337 12.527 3.330 1.00 0.00 C ATOM 1369 O SER A 91 38.283 12.216 4.053 1.00 0.00 O ATOM 1370 CB SER A 91 38.644 14.585 2.767 1.00 0.00 C ATOM 1371 OG SER A 91 39.849 13.909 2.450 1.00 0.00 O ATOM 0 H SER A 91 35.649 14.537 1.628 1.00 0.00 H new ATOM 0 HA SER A 91 37.530 13.379 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.604 15.533 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.624 14.819 3.831 1.00 0.00 H new ATOM 0 HG SER A 91 39.866 13.041 2.904 1.00 0.00 H new ATOM 1377 N SER A 92 36.194 11.850 3.303 1.00 0.00 N ATOM 1378 CA SER A 92 35.980 10.677 4.142 1.00 0.00 C ATOM 1379 C SER A 92 35.149 9.628 3.409 1.00 0.00 C ATOM 1380 O SER A 92 34.222 9.959 2.669 1.00 0.00 O ATOM 1381 CB SER A 92 35.283 11.076 5.445 1.00 0.00 C ATOM 1382 OG SER A 92 35.586 10.164 6.486 1.00 0.00 O ATOM 0 H SER A 92 35.401 12.094 2.709 1.00 0.00 H new ATOM 0 HA SER A 92 36.954 10.246 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.594 12.080 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.205 11.109 5.289 1.00 0.00 H new ATOM 0 HG SER A 92 35.130 10.442 7.308 1.00 0.00 H new ATOM 1388 N HIS A 93 35.489 8.360 3.620 1.00 0.00 N ATOM 1389 CA HIS A 93 34.776 7.261 2.979 1.00 0.00 C ATOM 1390 C HIS A 93 33.520 6.897 3.766 1.00 0.00 C ATOM 1391 O HIS A 93 33.559 6.768 4.990 1.00 0.00 O ATOM 1392 CB HIS A 93 35.686 6.039 2.854 1.00 0.00 C ATOM 1393 CG HIS A 93 34.943 4.761 2.612 1.00 0.00 C ATOM 1394 ND1 HIS A 93 33.928 4.474 1.764 1.00 0.00 N flip ATOM 1395 CD2 HIS A 93 35.218 3.591 3.288 1.00 0.00 C flip ATOM 1396 CE1 HIS A 93 33.612 3.149 1.940 1.00 0.00 C flip ATOM 1397 NE2 HIS A 93 34.405 2.639 2.865 1.00 0.00 N flip ATOM 0 H HIS A 93 36.253 8.069 4.229 1.00 0.00 H new ATOM 0 HA HIS A 93 34.478 7.586 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.389 6.202 2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.275 5.940 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 93 35.979 3.471 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 93 32.841 2.612 1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 93 34.392 1.674 3.196 1.00 0.00 H new ATOM 1406 N TYR A 94 32.410 6.732 3.056 1.00 0.00 N ATOM 1407 CA TYR A 94 31.143 6.386 3.689 1.00 0.00 C ATOM 1408 C TYR A 94 30.531 5.148 3.041 1.00 0.00 C ATOM 1409 O TYR A 94 30.640 4.947 1.831 1.00 0.00 O ATOM 1410 CB TYR A 94 30.165 7.559 3.596 1.00 0.00 C ATOM 1411 CG TYR A 94 30.323 8.568 4.712 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.217 9.625 4.598 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.577 8.463 5.880 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.364 10.548 5.615 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.717 9.382 6.901 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.612 10.423 6.764 1.00 0.00 C ATOM 1417 OH TYR A 94 30.755 11.341 7.779 1.00 0.00 O ATOM 0 H TYR A 94 32.362 6.832 2.042 1.00 0.00 H new ATOM 0 HA TYR A 94 31.339 6.166 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.304 8.063 2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.146 7.173 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.807 9.727 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.876 7.649 5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.064 11.363 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.129 9.286 7.802 1.00 0.00 H new ATOM 0 HH TYR A 94 30.152 11.110 8.516 1.00 0.00 H new ATOM 1427 N VAL A 95 29.885 4.319 3.856 1.00 0.00 N ATOM 1428 CA VAL A 95 29.254 3.101 3.363 1.00 0.00 C ATOM 1429 C VAL A 95 27.735 3.234 3.356 1.00 0.00 C ATOM 1430 O VAL A 95 27.091 3.174 4.404 1.00 0.00 O ATOM 1431 CB VAL A 95 29.647 1.880 4.217 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.171 0.593 3.561 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.151 1.850 4.441 1.00 0.00 C ATOM 0 H VAL A 95 29.785 4.469 4.860 1.00 0.00 H new ATOM 0 HA VAL A 95 29.608 2.951 2.343 1.00 0.00 H new ATOM 0 HB VAL A 95 29.159 1.965 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.458 -0.258 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.086 0.617 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.627 0.496 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.412 0.981 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.661 1.789 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.460 2.758 4.958 1.00 0.00 H new ATOM 1443 N ILE A 96 27.168 3.413 2.167 1.00 0.00 N ATOM 1444 CA ILE A 96 25.725 3.553 2.023 1.00 0.00 C ATOM 1445 C ILE A 96 25.068 2.207 1.737 1.00 0.00 C ATOM 1446 O ILE A 96 25.589 1.400 0.966 1.00 0.00 O ATOM 1447 CB ILE A 96 25.364 4.537 0.895 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.697 5.971 1.314 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.891 4.413 0.535 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.182 6.244 1.406 1.00 0.00 C ATOM 0 H ILE A 96 27.687 3.464 1.290 1.00 0.00 H new ATOM 0 HA ILE A 96 25.351 3.944 2.969 1.00 0.00 H new ATOM 0 HB ILE A 96 25.955 4.289 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.252 6.663 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.238 6.174 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.651 5.115 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.683 3.397 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.282 4.638 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.344 7.279 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.630 5.577 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.644 6.073 0.434 1.00 0.00 H new ATOM 1462 N THR A 97 23.919 1.970 2.363 1.00 0.00 N ATOM 1463 CA THR A 97 23.190 0.722 2.176 1.00 0.00 C ATOM 1464 C THR A 97 21.698 0.979 1.993 1.00 0.00 C ATOM 1465 O THR A 97 21.095 1.751 2.739 1.00 0.00 O ATOM 1466 CB THR A 97 23.393 -0.231 3.368 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.297 0.495 4.598 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.746 -0.922 3.285 1.00 0.00 C ATOM 0 H THR A 97 23.474 2.627 3.004 1.00 0.00 H new ATOM 0 HA THR A 97 23.589 0.255 1.275 1.00 0.00 H new ATOM 0 HB THR A 97 22.612 -0.991 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.997 -0.107 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.866 -1.590 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 97 24.804 -1.498 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.538 -0.173 3.296 1.00 0.00 H new ATOM 1476 N LEU A 98 21.108 0.327 0.997 1.00 0.00 N ATOM 1477 CA LEU A 98 19.685 0.485 0.717 1.00 0.00 C ATOM 1478 C LEU A 98 18.983 -0.869 0.690 1.00 0.00 C ATOM 1479 O LEU A 98 19.526 -1.853 0.188 1.00 0.00 O ATOM 1480 CB LEU A 98 19.485 1.202 -0.619 1.00 0.00 C ATOM 1481 CG LEU A 98 18.094 1.084 -1.243 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.168 2.156 -0.691 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.180 1.179 -2.759 1.00 0.00 C ATOM 0 H LEU A 98 21.593 -0.316 0.370 1.00 0.00 H new ATOM 0 HA LEU A 98 19.247 1.086 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.709 2.259 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.214 0.813 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 98 17.682 0.109 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.183 2.056 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.081 2.041 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.575 3.141 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.181 1.093 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.613 2.139 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.808 0.373 -3.139 1.00 0.00 H new ATOM 1495 N LYS A 99 17.770 -0.911 1.232 1.00 0.00 N ATOM 1496 CA LYS A 99 16.990 -2.142 1.268 1.00 0.00 C ATOM 1497 C LYS A 99 15.495 -1.840 1.256 1.00 0.00 C ATOM 1498 O LYS A 99 15.038 -0.899 1.904 1.00 0.00 O ATOM 1499 CB LYS A 99 17.346 -2.960 2.511 1.00 0.00 C ATOM 1500 CG LYS A 99 16.696 -2.445 3.784 1.00 0.00 C ATOM 1501 CD LYS A 99 16.727 -3.489 4.888 1.00 0.00 C ATOM 1502 CE LYS A 99 17.985 -3.369 5.734 1.00 0.00 C ATOM 1503 NZ LYS A 99 17.870 -4.129 7.009 1.00 0.00 N ATOM 0 H LYS A 99 17.306 -0.106 1.652 1.00 0.00 H new ATOM 0 HA LYS A 99 17.233 -2.722 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.045 -3.996 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.428 -2.958 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.212 -1.545 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.664 -2.163 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.848 -3.375 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.676 -4.486 4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.840 -3.737 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.176 -2.319 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.821 -4.340 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.350 -3.560 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.359 -5.019 6.838 1.00 0.00 H new ATOM 1517 N ALA A 100 14.739 -2.644 0.516 1.00 0.00 N ATOM 1518 CA ALA A 100 13.295 -2.464 0.423 1.00 0.00 C ATOM 1519 C ALA A 100 12.581 -3.146 1.585 1.00 0.00 C ATOM 1520 O ALA A 100 12.874 -4.295 1.918 1.00 0.00 O ATOM 1521 CB ALA A 100 12.780 -3.001 -0.904 1.00 0.00 C ATOM 0 H ALA A 100 15.102 -3.427 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 100 13.083 -1.396 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.701 -2.860 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.259 -2.465 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.011 -4.063 -0.981 1.00 0.00 H new ATOM 1527 N PHE A 101 11.644 -2.432 2.200 1.00 0.00 N ATOM 1528 CA PHE A 101 10.890 -2.968 3.326 1.00 0.00 C ATOM 1529 C PHE A 101 9.412 -2.606 3.213 1.00 0.00 C ATOM 1530 O PHE A 101 9.063 -1.495 2.816 1.00 0.00 O ATOM 1531 CB PHE A 101 11.456 -2.439 4.646 1.00 0.00 C ATOM 1532 CG PHE A 101 11.031 -1.033 4.960 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.744 0.047 4.464 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.919 -0.792 5.750 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.356 1.341 4.752 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.526 0.501 6.041 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.244 1.569 5.541 1.00 0.00 C ATOM 0 H PHE A 101 11.389 -1.480 1.937 1.00 0.00 H new ATOM 0 HA PHE A 101 10.983 -4.054 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.140 -3.095 5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.545 -2.481 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.613 -0.125 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.353 -1.623 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.921 2.174 4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.658 0.676 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.938 2.580 5.766 1.00 0.00 H new ATOM 1547 N ASN A 102 8.548 -3.553 3.564 1.00 0.00 N ATOM 1548 CA ASN A 102 7.107 -3.334 3.501 1.00 0.00 C ATOM 1549 C ASN A 102 6.451 -3.644 4.843 1.00 0.00 C ATOM 1550 O ASN A 102 7.130 -3.942 5.823 1.00 0.00 O ATOM 1551 CB ASN A 102 6.486 -4.202 2.404 1.00 0.00 C ATOM 1552 CG ASN A 102 6.726 -5.682 2.632 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.501 -6.068 3.508 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.061 -6.517 1.843 1.00 0.00 N ATOM 0 H ASN A 102 8.820 -4.479 3.895 1.00 0.00 H new ATOM 0 HA ASN A 102 6.934 -2.284 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.413 -4.013 2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.901 -3.914 1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.182 -7.524 1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.429 -6.151 1.131 1.00 0.00 H new ATOM 1561 N ASN A 103 5.124 -3.571 4.877 1.00 0.00 N ATOM 1562 CA ASN A 103 4.375 -3.844 6.098 1.00 0.00 C ATOM 1563 C ASN A 103 4.755 -5.204 6.677 1.00 0.00 C ATOM 1564 O ASN A 103 4.518 -5.478 7.854 1.00 0.00 O ATOM 1565 CB ASN A 103 2.871 -3.798 5.820 1.00 0.00 C ATOM 1566 CG ASN A 103 2.047 -4.195 7.029 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.981 -5.494 7.300 1.00 0.00 O flip ATOM 1568 ND2 ASN A 103 1.477 -3.344 7.712 1.00 0.00 N flip ATOM 0 H ASN A 103 4.546 -3.325 4.073 1.00 0.00 H new ATOM 0 HA ASN A 103 4.626 -3.075 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.593 -2.791 5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.637 -4.464 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.555 -2.357 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.927 -3.626 8.523 1.00 0.00 H new ATOM 1575 N VAL A 104 5.346 -6.052 5.842 1.00 0.00 N ATOM 1576 CA VAL A 104 5.761 -7.383 6.270 1.00 0.00 C ATOM 1577 C VAL A 104 7.169 -7.358 6.853 1.00 0.00 C ATOM 1578 O VAL A 104 7.412 -7.883 7.940 1.00 0.00 O ATOM 1579 CB VAL A 104 5.718 -8.387 5.103 1.00 0.00 C ATOM 1580 CG1 VAL A 104 5.733 -9.815 5.627 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.493 -8.142 4.235 1.00 0.00 C ATOM 0 H VAL A 104 5.548 -5.841 4.865 1.00 0.00 H new ATOM 0 HA VAL A 104 5.058 -7.702 7.039 1.00 0.00 H new ATOM 0 HB VAL A 104 6.606 -8.241 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.702 -10.511 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.643 -9.982 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.865 -9.977 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.478 -8.860 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.592 -8.259 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.530 -7.131 3.831 1.00 0.00 H new ATOM 1591 N GLY A 105 8.096 -6.744 6.123 1.00 0.00 N ATOM 1592 CA GLY A 105 9.469 -6.662 6.585 1.00 0.00 C ATOM 1593 C GLY A 105 10.422 -6.220 5.492 1.00 0.00 C ATOM 1594 O GLY A 105 9.993 -5.745 4.441 1.00 0.00 O ATOM 0 H GLY A 105 7.920 -6.302 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.528 -5.962 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.781 -7.636 6.963 1.00 0.00 H new ATOM 1598 N GLU A 106 11.719 -6.375 5.741 1.00 0.00 N ATOM 1599 CA GLU A 106 12.735 -5.986 4.770 1.00 0.00 C ATOM 1600 C GLU A 106 13.448 -7.212 4.208 1.00 0.00 C ATOM 1601 O GLU A 106 13.419 -8.288 4.803 1.00 0.00 O ATOM 1602 CB GLU A 106 13.751 -5.040 5.414 1.00 0.00 C ATOM 1603 CG GLU A 106 14.329 -5.564 6.717 1.00 0.00 C ATOM 1604 CD GLU A 106 15.226 -6.771 6.515 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.306 -6.613 5.909 1.00 0.00 O ATOM 1606 OE2 GLU A 106 14.846 -7.873 6.964 1.00 0.00 O ATOM 0 H GLU A 106 12.090 -6.767 6.606 1.00 0.00 H new ATOM 0 HA GLU A 106 12.238 -5.469 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.565 -4.861 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.273 -4.078 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.898 -4.771 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.514 -5.830 7.390 1.00 0.00 H new ATOM 1613 N GLY A 107 14.089 -7.040 3.056 1.00 0.00 N ATOM 1614 CA GLY A 107 14.801 -8.139 2.431 1.00 0.00 C ATOM 1615 C GLY A 107 16.298 -8.062 2.655 1.00 0.00 C ATOM 1616 O GLY A 107 16.758 -7.963 3.793 1.00 0.00 O ATOM 0 H GLY A 107 14.128 -6.159 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.426 -9.083 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.596 -8.138 1.360 1.00 0.00 H new ATOM 1620 N ILE A 108 17.060 -8.110 1.567 1.00 0.00 N ATOM 1621 CA ILE A 108 18.514 -8.045 1.650 1.00 0.00 C ATOM 1622 C ILE A 108 19.032 -6.691 1.179 1.00 0.00 C ATOM 1623 O ILE A 108 18.801 -6.270 0.045 1.00 0.00 O ATOM 1624 CB ILE A 108 19.176 -9.155 0.812 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.268 -9.554 -0.353 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.488 -10.362 1.684 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.174 -10.523 0.036 1.00 0.00 C ATOM 0 H ILE A 108 16.695 -8.194 0.618 1.00 0.00 H new ATOM 0 HA ILE A 108 18.776 -8.187 2.698 1.00 0.00 H new ATOM 0 HB ILE A 108 20.112 -8.773 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.814 -8.656 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.876 -10.002 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.955 -11.138 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.168 -10.067 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.564 -10.747 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.570 -10.761 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.620 -11.437 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.542 -10.071 0.800 1.00 0.00 H new ATOM 1639 N PRO A 109 19.752 -5.990 2.069 1.00 0.00 N ATOM 1640 CA PRO A 109 20.320 -4.674 1.766 1.00 0.00 C ATOM 1641 C PRO A 109 21.462 -4.753 0.758 1.00 0.00 C ATOM 1642 O PRO A 109 21.938 -5.840 0.428 1.00 0.00 O ATOM 1643 CB PRO A 109 20.838 -4.190 3.123 1.00 0.00 C ATOM 1644 CG PRO A 109 21.099 -5.437 3.895 1.00 0.00 C ATOM 1645 CD PRO A 109 20.066 -6.431 3.438 1.00 0.00 C ATOM 0 HA PRO A 109 19.586 -4.008 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.745 -3.596 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.104 -3.560 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.107 -5.808 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.019 -5.256 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.454 -7.450 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.183 -6.416 4.077 1.00 0.00 H new ATOM 1653 N LEU A 110 21.896 -3.596 0.272 1.00 0.00 N ATOM 1654 CA LEU A 110 22.983 -3.534 -0.699 1.00 0.00 C ATOM 1655 C LEU A 110 24.240 -2.939 -0.073 1.00 0.00 C ATOM 1656 O LEU A 110 24.252 -2.591 1.108 1.00 0.00 O ATOM 1657 CB LEU A 110 22.563 -2.703 -1.913 1.00 0.00 C ATOM 1658 CG LEU A 110 21.445 -3.292 -2.775 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.646 -2.184 -3.442 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.019 -4.240 -3.817 1.00 0.00 C ATOM 0 H LEU A 110 21.512 -2.688 0.534 1.00 0.00 H new ATOM 0 HA LEU A 110 23.206 -4.551 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.246 -1.720 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.439 -2.550 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 110 20.773 -3.858 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.855 -2.622 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.204 -1.544 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.305 -1.591 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.210 -4.650 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.713 -3.698 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.547 -5.053 -3.318 1.00 0.00 H new ATOM 1672 N TYR A 111 25.295 -2.824 -0.871 1.00 0.00 N ATOM 1673 CA TYR A 111 26.558 -2.271 -0.395 1.00 0.00 C ATOM 1674 C TYR A 111 27.165 -1.329 -1.430 1.00 0.00 C ATOM 1675 O TYR A 111 27.378 -1.708 -2.580 1.00 0.00 O ATOM 1676 CB TYR A 111 27.543 -3.396 -0.074 1.00 0.00 C ATOM 1677 CG TYR A 111 27.444 -3.899 1.349 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.274 -4.480 1.822 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.522 -3.795 2.219 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.180 -4.940 3.121 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.438 -4.254 3.520 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.264 -4.825 3.966 1.00 0.00 C ATOM 1683 OH TYR A 111 27.175 -5.283 5.260 1.00 0.00 O ATOM 0 H TYR A 111 25.301 -3.106 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 111 26.357 -1.703 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.368 -4.227 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.558 -3.042 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.424 -4.574 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.442 -3.348 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.262 -5.387 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.286 -4.166 4.183 1.00 0.00 H new ATOM 0 HH TYR A 111 28.026 -5.128 5.721 1.00 0.00 H new ATOM 1693 N GLU A 112 27.441 -0.098 -1.010 1.00 0.00 N ATOM 1694 CA GLU A 112 28.023 0.900 -1.900 1.00 0.00 C ATOM 1695 C GLU A 112 29.122 1.686 -1.191 1.00 0.00 C ATOM 1696 O GLU A 112 29.323 1.544 0.015 1.00 0.00 O ATOM 1697 CB GLU A 112 26.942 1.857 -2.407 1.00 0.00 C ATOM 1698 CG GLU A 112 26.274 1.394 -3.691 1.00 0.00 C ATOM 1699 CD GLU A 112 27.272 0.945 -4.740 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.385 1.511 -4.780 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.942 0.028 -5.520 1.00 0.00 O ATOM 0 H GLU A 112 27.271 0.232 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 112 28.463 0.379 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.182 1.976 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.386 2.839 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.594 0.572 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.669 2.206 -4.095 1.00 0.00 H new ATOM 1708 N SER A 113 29.832 2.516 -1.950 1.00 0.00 N ATOM 1709 CA SER A 113 30.913 3.322 -1.396 1.00 0.00 C ATOM 1710 C SER A 113 30.930 4.713 -2.023 1.00 0.00 C ATOM 1711 O SER A 113 30.704 4.867 -3.223 1.00 0.00 O ATOM 1712 CB SER A 113 32.260 2.631 -1.623 1.00 0.00 C ATOM 1713 OG SER A 113 32.708 2.813 -2.955 1.00 0.00 O ATOM 0 H SER A 113 29.678 2.647 -2.950 1.00 0.00 H new ATOM 0 HA SER A 113 30.742 3.428 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 113 32.999 3.032 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.167 1.566 -1.410 1.00 0.00 H new ATOM 0 HG SER A 113 33.571 2.364 -3.074 1.00 0.00 H new ATOM 1719 N ALA A 114 31.200 5.722 -1.202 1.00 0.00 N ATOM 1720 CA ALA A 114 31.248 7.100 -1.675 1.00 0.00 C ATOM 1721 C ALA A 114 32.249 7.921 -0.870 1.00 0.00 C ATOM 1722 O ALA A 114 32.041 8.186 0.315 1.00 0.00 O ATOM 1723 CB ALA A 114 29.866 7.731 -1.603 1.00 0.00 C ATOM 0 H ALA A 114 31.389 5.611 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 114 31.577 7.091 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.917 8.760 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.175 7.165 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.515 7.721 -0.571 1.00 0.00 H new ATOM 1729 N VAL A 115 33.337 8.323 -1.520 1.00 0.00 N ATOM 1730 CA VAL A 115 34.371 9.115 -0.864 1.00 0.00 C ATOM 1731 C VAL A 115 34.129 10.607 -1.064 1.00 0.00 C ATOM 1732 O VAL A 115 34.515 11.179 -2.084 1.00 0.00 O ATOM 1733 CB VAL A 115 35.772 8.757 -1.394 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.845 9.490 -0.603 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.994 7.253 -1.341 1.00 0.00 C ATOM 0 H VAL A 115 33.525 8.113 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 115 34.323 8.882 0.200 1.00 0.00 H new ATOM 0 HB VAL A 115 35.840 9.075 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.828 9.225 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.696 10.566 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.781 9.205 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.989 7.019 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.907 6.908 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.245 6.753 -1.955 1.00 0.00 H new ATOM 1745 N THR A 116 33.488 11.234 -0.083 1.00 0.00 N ATOM 1746 CA THR A 116 33.194 12.660 -0.151 1.00 0.00 C ATOM 1747 C THR A 116 34.345 13.429 -0.787 1.00 0.00 C ATOM 1748 O THR A 116 35.500 13.006 -0.718 1.00 0.00 O ATOM 1749 CB THR A 116 32.912 13.242 1.247 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.798 12.657 2.209 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.470 12.989 1.659 1.00 0.00 C ATOM 0 H THR A 116 33.162 10.776 0.768 1.00 0.00 H new ATOM 0 HA THR A 116 32.303 12.770 -0.769 1.00 0.00 H new ATOM 0 HB THR A 116 33.078 14.319 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.634 13.055 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.296 13.409 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.799 13.460 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.281 11.916 1.682 1.00 0.00 H new ATOM 1759 N ARG A 117 34.025 14.561 -1.406 1.00 0.00 N ATOM 1760 CA ARG A 117 35.034 15.389 -2.055 1.00 0.00 C ATOM 1761 C ARG A 117 35.697 16.326 -1.050 1.00 0.00 C ATOM 1762 O ARG A 117 35.121 16.682 -0.022 1.00 0.00 O ATOM 1763 CB ARG A 117 34.405 16.202 -3.188 1.00 0.00 C ATOM 1764 CG ARG A 117 34.363 15.465 -4.516 1.00 0.00 C ATOM 1765 CD ARG A 117 33.954 16.388 -5.653 1.00 0.00 C ATOM 1766 NE ARG A 117 33.847 15.677 -6.925 1.00 0.00 N ATOM 1767 CZ ARG A 117 34.890 15.394 -7.698 1.00 0.00 C ATOM 1768 NH1 ARG A 117 36.110 15.761 -7.331 1.00 0.00 N ATOM 1769 NH2 ARG A 117 34.712 14.744 -8.841 1.00 0.00 N ATOM 0 H ARG A 117 33.075 14.925 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 117 35.797 14.730 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.390 16.480 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 117 34.966 17.128 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.343 15.038 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.661 14.634 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 117 32.997 16.853 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.684 17.192 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 117 32.922 15.382 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 117 36.250 16.262 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 117 36.909 15.543 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 117 33.774 14.462 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 117 35.513 14.527 -9.434 1.00 0.00 H new ATOM 1783 N PRO A 118 36.939 16.734 -1.351 1.00 0.00 N ATOM 1784 CA PRO A 118 37.707 17.635 -0.487 1.00 0.00 C ATOM 1785 C PRO A 118 37.140 19.050 -0.473 1.00 0.00 C ATOM 1786 O PRO A 118 36.775 19.594 -1.516 1.00 0.00 O ATOM 1787 CB PRO A 118 39.103 17.625 -1.116 1.00 0.00 C ATOM 1788 CG PRO A 118 38.871 17.276 -2.546 1.00 0.00 C ATOM 1789 CD PRO A 118 37.687 16.349 -2.560 1.00 0.00 C ATOM 0 HA PRO A 118 37.690 17.313 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.588 18.596 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 118 39.751 16.895 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.674 18.169 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.749 16.794 -2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.087 16.476 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 118 37.994 15.304 -2.527 1.00 0.00 H new