USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 881 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 46 GLN : amide:sc= -0.47 K(o=-7.1,f=-15!) USER MOD Set 1.2: A 114 GLN : amide:sc= -6.66! C(o=-7.1!,f=-12!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -151:sc= -1.89 (180deg=-0.174) USER MOD Set 2.2: A 102 ASN : amide:sc= -4.44! C(o=-6.3!,f=-9.8!) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.437 X(o=-0.87,f=-0.69) USER MOD Set 3.2: A 72 HIS : no HD1:sc= -0.437 X(o=-0.87,f=-0.69) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -1.06 (180deg=-1.61) USER MOD Single : A 21 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.518 K(o=-0.52,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.14) USER MOD Single : A 34 SER OG : rot -110:sc= -1.18 USER MOD Single : A 36 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.15) USER MOD Single : A 38 MET CE :methyl 162:sc= -2.64! (180deg=-2.86!) USER MOD Single : A 39 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.9!) USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.476 USER MOD Single : A 47 GLN : amide:sc= -2.93! C(o=-2.9!,f=-5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 170:sc= -6.71! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -8.61! C(o=-8.6!,f=-6.4!) USER MOD Single : A 73 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.9!) USER MOD Single : A 74 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 79:sc= -0.568 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 89 SER OG : rot -39:sc= 1.04 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -5.49! C(o=-5.5!,f=-4.5!) USER MOD Single : A 100 GLN : amide:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : A 103 ASN : amide:sc= -3.97! C(o=-4!,f=-8.1!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.72) USER MOD Single : A 107 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD Single : A 113 TYR OH : rot -141:sc= 0.957 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 127 SER OG : rot 66:sc= 0.653 USER MOD Single : A 129 LYS NZ :NH3+ 153:sc= -1.19 (180deg=-2.96!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -2.176 16.447 -2.821 1.00 0.00 N ATOM 271 CA LYS A 18 -3.524 16.690 -3.405 1.00 0.00 C ATOM 272 C LYS A 18 -3.873 15.566 -4.378 1.00 0.00 C ATOM 273 O LYS A 18 -4.960 15.524 -4.926 1.00 0.00 O ATOM 274 CB LYS A 18 -3.535 18.031 -4.145 1.00 0.00 C ATOM 275 CG LYS A 18 -2.352 18.092 -5.119 1.00 0.00 C ATOM 276 CD LYS A 18 -2.444 19.361 -5.999 1.00 0.00 C ATOM 277 CE LYS A 18 -3.163 19.047 -7.319 1.00 0.00 C ATOM 278 NZ LYS A 18 -4.560 18.612 -7.039 1.00 0.00 N ATOM 0 HA LYS A 18 -4.262 16.716 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.473 18.150 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.474 18.852 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.414 18.094 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.346 17.203 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.980 20.145 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.444 19.742 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.168 19.929 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.629 18.264 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.108 18.613 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.551 17.653 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.998 19.267 -6.360 1.00 0.00 H new ATOM 292 N ASP A 19 -2.977 14.626 -4.568 1.00 0.00 N ATOM 293 CA ASP A 19 -3.282 13.483 -5.487 1.00 0.00 C ATOM 294 C ASP A 19 -3.799 12.310 -4.654 1.00 0.00 C ATOM 295 O ASP A 19 -4.659 11.570 -5.094 1.00 0.00 O ATOM 296 CB ASP A 19 -2.038 13.080 -6.280 1.00 0.00 C ATOM 297 CG ASP A 19 -2.373 11.895 -7.187 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.280 12.029 -7.992 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.716 10.875 -7.062 1.00 0.00 O ATOM 0 H ASP A 19 -2.056 14.600 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.044 13.784 -6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.686 13.921 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.230 12.813 -5.599 1.00 0.00 H new ATOM 304 N LEU A 20 -3.342 12.147 -3.439 1.00 0.00 N ATOM 305 CA LEU A 20 -3.896 11.036 -2.619 1.00 0.00 C ATOM 306 C LEU A 20 -5.310 11.438 -2.210 1.00 0.00 C ATOM 307 O LEU A 20 -6.148 10.609 -1.920 1.00 0.00 O ATOM 308 CB LEU A 20 -3.017 10.760 -1.385 1.00 0.00 C ATOM 309 CG LEU A 20 -3.235 11.833 -0.281 1.00 0.00 C ATOM 310 CD1 LEU A 20 -4.215 11.316 0.783 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.898 12.159 0.402 1.00 0.00 C ATOM 0 H LEU A 20 -2.627 12.720 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.914 10.111 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.248 9.773 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.968 10.747 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.644 12.728 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.357 12.079 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.173 11.089 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.812 10.413 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.058 12.911 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.491 11.255 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.195 12.542 -0.338 1.00 0.00 H new ATOM 323 N GLN A 21 -5.595 12.717 -2.213 1.00 0.00 N ATOM 324 CA GLN A 21 -6.965 13.172 -1.866 1.00 0.00 C ATOM 325 C GLN A 21 -7.864 12.842 -3.053 1.00 0.00 C ATOM 326 O GLN A 21 -8.949 12.316 -2.901 1.00 0.00 O ATOM 327 CB GLN A 21 -6.959 14.684 -1.622 1.00 0.00 C ATOM 328 CG GLN A 21 -8.350 15.136 -1.172 1.00 0.00 C ATOM 329 CD GLN A 21 -8.333 16.643 -0.904 1.00 0.00 C ATOM 330 OE1 GLN A 21 -9.157 17.150 -0.169 1.00 0.00 O ATOM 331 NE2 GLN A 21 -7.423 17.384 -1.474 1.00 0.00 N ATOM 0 H GLN A 21 -4.935 13.460 -2.441 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.323 12.680 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.220 14.937 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.672 15.209 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.087 14.900 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.645 14.599 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.731 16.958 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.403 18.389 -1.303 1.00 0.00 H new ATOM 340 N ALA A 22 -7.394 13.112 -4.248 1.00 0.00 N ATOM 341 CA ALA A 22 -8.191 12.775 -5.463 1.00 0.00 C ATOM 342 C ALA A 22 -8.683 11.333 -5.332 1.00 0.00 C ATOM 343 O ALA A 22 -9.788 10.983 -5.715 1.00 0.00 O ATOM 344 CB ALA A 22 -7.282 12.875 -6.690 1.00 0.00 C ATOM 0 H ALA A 22 -6.492 13.552 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.035 13.457 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.852 12.631 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.893 13.890 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.452 12.176 -6.586 1.00 0.00 H new ATOM 350 N ILE A 23 -7.865 10.502 -4.743 1.00 0.00 N ATOM 351 CA ILE A 23 -8.257 9.087 -4.534 1.00 0.00 C ATOM 352 C ILE A 23 -9.401 9.092 -3.513 1.00 0.00 C ATOM 353 O ILE A 23 -10.487 8.624 -3.790 1.00 0.00 O ATOM 354 CB ILE A 23 -7.016 8.299 -4.041 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.274 7.677 -5.246 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.411 7.192 -3.050 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.685 8.786 -6.124 1.00 0.00 C ATOM 0 H ILE A 23 -6.938 10.749 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.602 8.601 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.358 8.999 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.480 7.019 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.961 7.064 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.517 6.659 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.904 7.637 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.092 6.494 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.163 8.341 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.488 9.427 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.984 9.380 -5.538 1.00 0.00 H new ATOM 369 N LYS A 24 -9.193 9.671 -2.358 1.00 0.00 N ATOM 370 CA LYS A 24 -10.289 9.773 -1.355 1.00 0.00 C ATOM 371 C LYS A 24 -11.559 10.290 -2.027 1.00 0.00 C ATOM 372 O LYS A 24 -12.631 9.803 -1.751 1.00 0.00 O ATOM 373 CB LYS A 24 -9.861 10.754 -0.254 1.00 0.00 C ATOM 374 CG LYS A 24 -10.786 10.614 0.959 1.00 0.00 C ATOM 375 CD LYS A 24 -10.463 11.709 1.977 1.00 0.00 C ATOM 376 CE LYS A 24 -11.270 11.474 3.255 1.00 0.00 C ATOM 377 NZ LYS A 24 -10.861 12.463 4.291 1.00 0.00 N ATOM 0 H LYS A 24 -8.305 10.079 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.487 8.791 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.830 10.557 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.895 11.776 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.827 10.690 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.660 9.631 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.397 11.707 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.699 12.688 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.336 11.569 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.106 10.460 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.410 12.303 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.848 12.352 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.040 13.426 3.941 1.00 0.00 H new ATOM 391 N GLN A 25 -11.493 11.279 -2.866 1.00 0.00 N ATOM 392 CA GLN A 25 -12.761 11.785 -3.471 1.00 0.00 C ATOM 393 C GLN A 25 -13.575 10.595 -4.020 1.00 0.00 C ATOM 394 O GLN A 25 -14.800 10.539 -3.973 1.00 0.00 O ATOM 395 CB GLN A 25 -12.419 12.728 -4.628 1.00 0.00 C ATOM 396 CG GLN A 25 -11.736 13.985 -4.082 1.00 0.00 C ATOM 397 CD GLN A 25 -11.581 15.012 -5.205 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.658 16.202 -4.971 1.00 0.00 O ATOM 399 NE2 GLN A 25 -11.364 14.600 -6.424 1.00 0.00 N ATOM 0 H GLN A 25 -10.639 11.754 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.343 12.313 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.763 12.225 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.325 13.000 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.325 14.407 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.759 13.731 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.299 13.601 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.259 15.277 -7.180 1.00 0.00 H new ATOM 408 N GLU A 26 -12.855 9.649 -4.578 1.00 0.00 N ATOM 409 CA GLU A 26 -13.494 8.452 -5.198 1.00 0.00 C ATOM 410 C GLU A 26 -13.840 7.358 -4.172 1.00 0.00 C ATOM 411 O GLU A 26 -14.686 6.515 -4.439 1.00 0.00 O ATOM 412 CB GLU A 26 -12.538 7.863 -6.237 1.00 0.00 C ATOM 413 CG GLU A 26 -12.207 8.923 -7.290 1.00 0.00 C ATOM 414 CD GLU A 26 -13.427 9.154 -8.183 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.989 8.177 -8.649 1.00 0.00 O ATOM 416 OE2 GLU A 26 -13.778 10.305 -8.386 1.00 0.00 O ATOM 0 H GLU A 26 -11.836 9.660 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.428 8.783 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.624 7.520 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.992 6.993 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.917 9.855 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.358 8.600 -7.892 1.00 0.00 H new ATOM 423 N VAL A 27 -13.249 7.334 -3.001 1.00 0.00 N ATOM 424 CA VAL A 27 -13.646 6.250 -2.061 1.00 0.00 C ATOM 425 C VAL A 27 -15.087 6.536 -1.673 1.00 0.00 C ATOM 426 O VAL A 27 -15.879 5.663 -1.382 1.00 0.00 O ATOM 427 CB VAL A 27 -12.747 6.215 -0.812 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.272 6.264 -1.245 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.073 7.373 0.157 1.00 0.00 C ATOM 0 H VAL A 27 -12.540 7.988 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.539 5.275 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.936 5.286 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.633 6.239 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.050 5.405 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.087 7.183 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.418 7.315 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.920 8.326 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.111 7.296 0.479 1.00 0.00 H new ATOM 439 N SER A 28 -15.412 7.812 -1.722 1.00 0.00 N ATOM 440 CA SER A 28 -16.793 8.243 -1.414 1.00 0.00 C ATOM 441 C SER A 28 -17.630 7.579 -2.482 1.00 0.00 C ATOM 442 O SER A 28 -18.350 6.658 -2.211 1.00 0.00 O ATOM 443 CB SER A 28 -16.916 9.765 -1.497 1.00 0.00 C ATOM 444 OG SER A 28 -18.242 10.149 -1.155 1.00 0.00 O ATOM 0 H SER A 28 -14.768 8.565 -1.964 1.00 0.00 H new ATOM 0 HA SER A 28 -17.104 7.968 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.203 10.236 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.674 10.106 -2.504 1.00 0.00 H new ATOM 0 HG SER A 28 -18.323 11.124 -1.206 1.00 0.00 H new ATOM 450 N GLN A 29 -17.500 8.062 -3.705 1.00 0.00 N ATOM 451 CA GLN A 29 -18.234 7.475 -4.887 1.00 0.00 C ATOM 452 C GLN A 29 -18.863 6.110 -4.550 1.00 0.00 C ATOM 453 O GLN A 29 -20.040 5.879 -4.742 1.00 0.00 O ATOM 454 CB GLN A 29 -17.207 7.237 -6.001 1.00 0.00 C ATOM 455 CG GLN A 29 -17.934 6.963 -7.322 1.00 0.00 C ATOM 456 CD GLN A 29 -18.548 8.263 -7.848 1.00 0.00 C ATOM 457 OE1 GLN A 29 -19.732 8.494 -7.698 1.00 0.00 O ATOM 458 NE2 GLN A 29 -17.788 9.129 -8.461 1.00 0.00 N ATOM 0 H GLN A 29 -16.903 8.856 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.025 8.166 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.560 8.108 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.567 6.393 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.237 6.555 -8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.713 6.215 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.794 8.936 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.188 9.999 -8.814 1.00 0.00 H new ATOM 467 N ALA A 30 -18.047 5.204 -4.048 1.00 0.00 N ATOM 468 CA ALA A 30 -18.537 3.829 -3.688 1.00 0.00 C ATOM 469 C ALA A 30 -18.919 3.744 -2.207 1.00 0.00 C ATOM 470 O ALA A 30 -19.206 4.718 -1.550 1.00 0.00 O ATOM 471 CB ALA A 30 -17.417 2.816 -3.954 1.00 0.00 C ATOM 0 H ALA A 30 -17.055 5.361 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.418 3.612 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.763 1.815 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.143 2.845 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.547 3.067 -3.347 1.00 0.00 H new ATOM 477 N ALA A 31 -18.921 2.557 -1.685 1.00 0.00 N ATOM 478 CA ALA A 31 -19.267 2.358 -0.249 1.00 0.00 C ATOM 479 C ALA A 31 -18.002 2.665 0.582 1.00 0.00 C ATOM 480 O ALA A 31 -16.974 2.955 0.005 1.00 0.00 O ATOM 481 CB ALA A 31 -19.726 0.895 -0.072 1.00 0.00 C ATOM 0 H ALA A 31 -18.696 1.702 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.071 3.015 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.986 0.719 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.597 0.709 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.919 0.223 -0.363 1.00 0.00 H new ATOM 487 N PRO A 32 -18.093 2.609 1.901 1.00 0.00 N ATOM 488 CA PRO A 32 -16.921 2.892 2.760 1.00 0.00 C ATOM 489 C PRO A 32 -15.829 1.833 2.508 1.00 0.00 C ATOM 490 O PRO A 32 -15.269 1.259 3.420 1.00 0.00 O ATOM 491 CB PRO A 32 -17.466 2.834 4.210 1.00 0.00 C ATOM 492 CG PRO A 32 -18.983 2.494 4.126 1.00 0.00 C ATOM 493 CD PRO A 32 -19.336 2.282 2.636 1.00 0.00 C ATOM 0 HA PRO A 32 -16.461 3.859 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.935 2.078 4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.314 3.788 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.206 1.597 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.580 3.302 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.649 1.255 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.158 2.928 2.329 1.00 0.00 H new ATOM 501 N GLY A 33 -15.536 1.577 1.263 1.00 0.00 N ATOM 502 CA GLY A 33 -14.500 0.565 0.908 1.00 0.00 C ATOM 503 C GLY A 33 -14.909 -0.090 -0.409 1.00 0.00 C ATOM 504 O GLY A 33 -14.870 0.523 -1.457 1.00 0.00 O ATOM 0 H GLY A 33 -15.977 2.033 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.523 1.038 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.414 -0.184 1.695 1.00 0.00 H new ATOM 508 N SER A 34 -15.347 -1.316 -0.359 1.00 0.00 N ATOM 509 CA SER A 34 -15.810 -1.989 -1.601 1.00 0.00 C ATOM 510 C SER A 34 -14.630 -2.091 -2.598 1.00 0.00 C ATOM 511 O SER A 34 -13.687 -1.334 -2.478 1.00 0.00 O ATOM 512 CB SER A 34 -16.940 -1.112 -2.154 1.00 0.00 C ATOM 513 OG SER A 34 -17.964 -1.925 -2.709 1.00 0.00 O ATOM 0 H SER A 34 -15.404 -1.880 0.489 1.00 0.00 H new ATOM 0 HA SER A 34 -16.166 -3.003 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.350 -0.490 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.548 -0.438 -2.915 1.00 0.00 H new ATOM 0 HG SER A 34 -17.968 -1.826 -3.684 1.00 0.00 H new ATOM 519 N PRO A 35 -14.701 -2.984 -3.562 1.00 0.00 N ATOM 520 CA PRO A 35 -13.620 -3.116 -4.563 1.00 0.00 C ATOM 521 C PRO A 35 -13.319 -1.751 -5.204 1.00 0.00 C ATOM 522 O PRO A 35 -12.181 -1.409 -5.439 1.00 0.00 O ATOM 523 CB PRO A 35 -14.168 -4.116 -5.607 1.00 0.00 C ATOM 524 CG PRO A 35 -15.493 -4.700 -5.038 1.00 0.00 C ATOM 525 CD PRO A 35 -15.831 -3.919 -3.747 1.00 0.00 C ATOM 0 HA PRO A 35 -12.684 -3.463 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.346 -3.618 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.446 -4.911 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.298 -4.603 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.383 -5.763 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.775 -3.383 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.932 -4.590 -2.894 1.00 0.00 H new ATOM 533 N GLN A 36 -14.333 -0.986 -5.496 1.00 0.00 N ATOM 534 CA GLN A 36 -14.130 0.353 -6.135 1.00 0.00 C ATOM 535 C GLN A 36 -12.886 1.058 -5.571 1.00 0.00 C ATOM 536 O GLN A 36 -12.137 1.696 -6.295 1.00 0.00 O ATOM 537 CB GLN A 36 -15.356 1.214 -5.855 1.00 0.00 C ATOM 538 CG GLN A 36 -16.556 0.668 -6.631 1.00 0.00 C ATOM 539 CD GLN A 36 -16.372 0.951 -8.123 1.00 0.00 C ATOM 540 OE1 GLN A 36 -16.551 0.076 -8.946 1.00 0.00 O ATOM 541 NE2 GLN A 36 -16.019 2.147 -8.508 1.00 0.00 N ATOM 0 H GLN A 36 -15.307 -1.231 -5.319 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.987 0.211 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.573 1.219 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.162 2.246 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.653 -0.405 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.475 1.132 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.869 2.882 -7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.893 2.347 -9.500 1.00 0.00 H new ATOM 550 N PHE A 37 -12.659 0.961 -4.285 1.00 0.00 N ATOM 551 CA PHE A 37 -11.477 1.634 -3.684 1.00 0.00 C ATOM 552 C PHE A 37 -10.240 1.293 -4.531 1.00 0.00 C ATOM 553 O PHE A 37 -9.527 2.131 -5.034 1.00 0.00 O ATOM 554 CB PHE A 37 -11.300 1.064 -2.272 1.00 0.00 C ATOM 555 CG PHE A 37 -10.499 1.996 -1.364 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.650 2.999 -1.879 1.00 0.00 C ATOM 557 CD2 PHE A 37 -10.605 1.835 0.025 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.925 3.820 -1.005 1.00 0.00 C ATOM 559 CE2 PHE A 37 -9.881 2.661 0.892 1.00 0.00 C ATOM 560 CZ PHE A 37 -9.042 3.652 0.377 1.00 0.00 C ATOM 0 H PHE A 37 -13.244 0.444 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.606 2.716 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.280 0.885 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.796 0.099 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.559 3.134 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.250 1.068 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.274 4.585 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.971 2.532 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.484 4.289 1.047 1.00 0.00 H new ATOM 570 N MET A 38 -10.026 0.006 -4.676 1.00 0.00 N ATOM 571 CA MET A 38 -8.879 -0.507 -5.472 1.00 0.00 C ATOM 572 C MET A 38 -8.835 0.216 -6.812 1.00 0.00 C ATOM 573 O MET A 38 -7.793 0.575 -7.292 1.00 0.00 O ATOM 574 CB MET A 38 -9.043 -2.022 -5.706 1.00 0.00 C ATOM 575 CG MET A 38 -8.217 -2.481 -6.925 1.00 0.00 C ATOM 576 SD MET A 38 -9.182 -2.224 -8.435 1.00 0.00 S ATOM 577 CE MET A 38 -10.048 -3.813 -8.423 1.00 0.00 C ATOM 0 H MET A 38 -10.613 -0.720 -4.265 1.00 0.00 H new ATOM 0 HA MET A 38 -7.951 -0.329 -4.929 1.00 0.00 H new ATOM 0 HB2 MET A 38 -8.724 -2.568 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.095 -2.258 -5.864 1.00 0.00 H new ATOM 0 HG2 MET A 38 -7.283 -1.921 -6.977 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.953 -3.534 -6.824 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.922 -3.756 -9.071 1.00 0.00 H new ATOM 0 HE2 MET A 38 -9.379 -4.595 -8.784 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.365 -4.047 -7.407 1.00 0.00 H new ATOM 587 N GLN A 39 -9.959 0.417 -7.415 1.00 0.00 N ATOM 588 CA GLN A 39 -9.992 1.090 -8.742 1.00 0.00 C ATOM 589 C GLN A 39 -9.110 2.341 -8.740 1.00 0.00 C ATOM 590 O GLN A 39 -8.237 2.507 -9.572 1.00 0.00 O ATOM 591 CB GLN A 39 -11.445 1.482 -9.051 1.00 0.00 C ATOM 592 CG GLN A 39 -11.634 1.645 -10.564 1.00 0.00 C ATOM 593 CD GLN A 39 -10.732 2.768 -11.077 1.00 0.00 C ATOM 594 OE1 GLN A 39 -9.668 2.515 -11.607 1.00 0.00 O ATOM 595 NE2 GLN A 39 -11.114 4.009 -10.943 1.00 0.00 N ATOM 0 H GLN A 39 -10.870 0.144 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.610 0.408 -9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.125 0.719 -8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.695 2.413 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.394 0.711 -11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.676 1.872 -10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.007 4.223 -10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.520 4.765 -11.283 1.00 0.00 H new ATOM 604 N THR A 40 -9.339 3.227 -7.816 1.00 0.00 N ATOM 605 CA THR A 40 -8.521 4.479 -7.769 1.00 0.00 C ATOM 606 C THR A 40 -7.177 4.199 -7.111 1.00 0.00 C ATOM 607 O THR A 40 -6.162 4.709 -7.542 1.00 0.00 O ATOM 608 CB THR A 40 -9.300 5.572 -7.038 1.00 0.00 C ATOM 609 OG1 THR A 40 -8.741 6.842 -7.335 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.292 5.340 -5.523 1.00 0.00 C ATOM 0 H THR A 40 -10.052 3.145 -7.092 1.00 0.00 H new ATOM 0 HA THR A 40 -8.321 4.831 -8.781 1.00 0.00 H new ATOM 0 HB THR A 40 -10.334 5.540 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.400 7.542 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.854 6.134 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.752 4.377 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.264 5.344 -5.160 1.00 0.00 H new ATOM 618 N ILE A 41 -7.126 3.366 -6.135 1.00 0.00 N ATOM 619 CA ILE A 41 -5.788 3.043 -5.549 1.00 0.00 C ATOM 620 C ILE A 41 -5.033 2.199 -6.574 1.00 0.00 C ATOM 621 O ILE A 41 -3.830 2.040 -6.494 1.00 0.00 O ATOM 622 CB ILE A 41 -5.934 2.272 -4.238 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.564 3.181 -3.162 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.565 1.738 -3.790 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.483 3.956 -2.386 1.00 0.00 C ATOM 0 H ILE A 41 -7.926 2.894 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.246 3.962 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.595 1.419 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.252 3.884 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.150 2.577 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.677 1.189 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.166 1.073 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.880 2.573 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.957 4.588 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.811 3.251 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.915 4.578 -3.077 1.00 0.00 H new ATOM 637 N ARG A 42 -5.716 1.688 -7.559 1.00 0.00 N ATOM 638 CA ARG A 42 -5.013 0.896 -8.600 1.00 0.00 C ATOM 639 C ARG A 42 -4.142 1.852 -9.399 1.00 0.00 C ATOM 640 O ARG A 42 -2.959 1.647 -9.568 1.00 0.00 O ATOM 641 CB ARG A 42 -6.008 0.246 -9.564 1.00 0.00 C ATOM 642 CG ARG A 42 -5.261 -0.669 -10.543 1.00 0.00 C ATOM 643 CD ARG A 42 -6.230 -1.177 -11.613 1.00 0.00 C ATOM 644 NE ARG A 42 -7.205 -2.119 -10.996 1.00 0.00 N ATOM 645 CZ ARG A 42 -8.291 -2.447 -11.642 1.00 0.00 C ATOM 646 NH1 ARG A 42 -8.520 -1.951 -12.827 1.00 0.00 N ATOM 647 NH2 ARG A 42 -9.147 -3.272 -11.103 1.00 0.00 N ATOM 0 H ARG A 42 -6.723 1.784 -7.687 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.428 0.113 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.746 -0.329 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.552 1.015 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.440 -0.125 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.822 -1.510 -10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.757 -0.339 -12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.679 -1.678 -12.409 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.024 -2.507 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.851 -1.307 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.368 -2.207 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.967 -3.660 -10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.996 -3.528 -11.608 1.00 0.00 H new ATOM 661 N LEU A 43 -4.743 2.883 -9.929 1.00 0.00 N ATOM 662 CA LEU A 43 -3.977 3.847 -10.771 1.00 0.00 C ATOM 663 C LEU A 43 -3.067 4.731 -9.918 1.00 0.00 C ATOM 664 O LEU A 43 -2.180 5.370 -10.429 1.00 0.00 O ATOM 665 CB LEU A 43 -4.956 4.744 -11.537 1.00 0.00 C ATOM 666 CG LEU A 43 -6.002 3.889 -12.261 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.068 4.804 -12.868 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.333 3.073 -13.376 1.00 0.00 C ATOM 0 H LEU A 43 -5.733 3.100 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.359 3.273 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.450 5.428 -10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.413 5.355 -12.258 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.464 3.205 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.814 4.200 -13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.550 5.377 -12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.600 5.487 -13.577 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.084 2.469 -13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.866 3.749 -14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.574 2.421 -12.944 1.00 0.00 H new ATOM 680 N ALA A 44 -3.257 4.779 -8.631 1.00 0.00 N ATOM 681 CA ALA A 44 -2.361 5.648 -7.793 1.00 0.00 C ATOM 682 C ALA A 44 -1.118 4.865 -7.358 1.00 0.00 C ATOM 683 O ALA A 44 -0.007 5.341 -7.512 1.00 0.00 O ATOM 684 CB ALA A 44 -3.123 6.172 -6.570 1.00 0.00 C ATOM 0 H ALA A 44 -3.978 4.267 -8.122 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.040 6.501 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.463 6.800 -5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.981 6.758 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.468 5.331 -5.968 1.00 0.00 H new ATOM 690 N VAL A 45 -1.262 3.687 -6.836 1.00 0.00 N ATOM 691 CA VAL A 45 -0.052 2.926 -6.421 1.00 0.00 C ATOM 692 C VAL A 45 0.606 2.296 -7.650 1.00 0.00 C ATOM 693 O VAL A 45 1.791 2.034 -7.665 1.00 0.00 O ATOM 694 CB VAL A 45 -0.455 1.827 -5.436 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.768 0.971 -5.098 1.00 0.00 C ATOM 696 CG2 VAL A 45 -0.999 2.466 -4.156 1.00 0.00 C ATOM 0 H VAL A 45 -2.154 3.218 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 45 0.655 3.603 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.224 1.199 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.481 0.188 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.157 0.517 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.538 1.598 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.287 1.684 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.229 3.093 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.869 3.077 -4.396 1.00 0.00 H new ATOM 706 N GLN A 46 -0.141 2.057 -8.692 1.00 0.00 N ATOM 707 CA GLN A 46 0.460 1.438 -9.908 1.00 0.00 C ATOM 708 C GLN A 46 1.117 2.505 -10.791 1.00 0.00 C ATOM 709 O GLN A 46 1.995 2.209 -11.576 1.00 0.00 O ATOM 710 CB GLN A 46 -0.640 0.736 -10.709 1.00 0.00 C ATOM 711 CG GLN A 46 -0.014 -0.147 -11.791 1.00 0.00 C ATOM 712 CD GLN A 46 0.679 -1.345 -11.140 1.00 0.00 C ATOM 713 OE1 GLN A 46 0.080 -2.057 -10.358 1.00 0.00 O ATOM 714 NE2 GLN A 46 1.925 -1.602 -11.432 1.00 0.00 N ATOM 0 H GLN A 46 -1.138 2.262 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 46 1.220 0.722 -9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.256 0.130 -10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.297 1.476 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.783 -0.491 -12.483 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.705 0.429 -12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.429 -1.005 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.395 -2.400 -11.004 1.00 0.00 H new ATOM 723 N GLN A 47 0.697 3.743 -10.697 1.00 0.00 N ATOM 724 CA GLN A 47 1.307 4.790 -11.573 1.00 0.00 C ATOM 725 C GLN A 47 2.567 5.380 -10.946 1.00 0.00 C ATOM 726 O GLN A 47 3.653 5.272 -11.480 1.00 0.00 O ATOM 727 CB GLN A 47 0.300 5.923 -11.794 1.00 0.00 C ATOM 728 CG GLN A 47 -0.820 5.443 -12.728 1.00 0.00 C ATOM 729 CD GLN A 47 -1.933 6.492 -12.777 1.00 0.00 C ATOM 730 OE1 GLN A 47 -2.076 7.287 -11.870 1.00 0.00 O ATOM 731 NE2 GLN A 47 -2.732 6.529 -13.809 1.00 0.00 N ATOM 0 H GLN A 47 -0.031 4.070 -10.062 1.00 0.00 H new ATOM 0 HA GLN A 47 1.573 4.317 -12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.120 6.241 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.801 6.789 -12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.424 5.271 -13.729 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.218 4.492 -12.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.612 5.862 -14.571 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.476 7.225 -13.853 1.00 0.00 H new ATOM 740 N PHE A 48 2.418 6.042 -9.829 1.00 0.00 N ATOM 741 CA PHE A 48 3.591 6.687 -9.175 1.00 0.00 C ATOM 742 C PHE A 48 4.291 5.709 -8.232 1.00 0.00 C ATOM 743 O PHE A 48 5.298 6.055 -7.650 1.00 0.00 O ATOM 744 CB PHE A 48 3.112 7.904 -8.369 1.00 0.00 C ATOM 745 CG PHE A 48 2.832 9.064 -9.302 1.00 0.00 C ATOM 746 CD1 PHE A 48 1.779 8.983 -10.221 1.00 0.00 C ATOM 747 CD2 PHE A 48 3.622 10.222 -9.246 1.00 0.00 C ATOM 748 CE1 PHE A 48 1.515 10.054 -11.082 1.00 0.00 C ATOM 749 CE2 PHE A 48 3.358 11.293 -10.108 1.00 0.00 C ATOM 750 CZ PHE A 48 2.304 11.209 -11.026 1.00 0.00 C ATOM 0 H PHE A 48 1.531 6.163 -9.341 1.00 0.00 H new ATOM 0 HA PHE A 48 4.296 6.995 -9.947 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.211 7.649 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.870 8.188 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.169 8.093 -10.265 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.434 10.287 -8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.702 9.990 -11.790 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.967 12.184 -10.065 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.100 12.035 -11.691 1.00 0.00 H new ATOM 760 N ASP A 49 3.782 4.496 -8.089 1.00 0.00 N ATOM 761 CA ASP A 49 4.433 3.481 -7.176 1.00 0.00 C ATOM 762 C ASP A 49 5.311 4.160 -6.108 1.00 0.00 C ATOM 763 O ASP A 49 6.518 4.023 -6.142 1.00 0.00 O ATOM 764 CB ASP A 49 5.324 2.559 -8.005 1.00 0.00 C ATOM 765 CG ASP A 49 4.500 1.912 -9.119 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.937 0.857 -8.876 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.446 2.481 -10.197 1.00 0.00 O ATOM 0 H ASP A 49 2.943 4.165 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 49 3.639 2.923 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.151 3.125 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.760 1.789 -7.368 1.00 0.00 H new ATOM 772 N PRO A 50 4.699 4.891 -5.206 1.00 0.00 N ATOM 773 CA PRO A 50 5.456 5.601 -4.161 1.00 0.00 C ATOM 774 C PRO A 50 6.353 4.615 -3.401 1.00 0.00 C ATOM 775 O PRO A 50 6.116 3.423 -3.397 1.00 0.00 O ATOM 776 CB PRO A 50 4.379 6.231 -3.248 1.00 0.00 C ATOM 777 CG PRO A 50 2.996 5.981 -3.921 1.00 0.00 C ATOM 778 CD PRO A 50 3.232 5.062 -5.142 1.00 0.00 C ATOM 0 HA PRO A 50 6.123 6.365 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.409 5.784 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.558 7.299 -3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.306 5.514 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.545 6.923 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.727 4.104 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.846 5.512 -6.057 1.00 0.00 H new ATOM 786 N THR A 51 7.376 5.105 -2.755 1.00 0.00 N ATOM 787 CA THR A 51 8.276 4.193 -1.997 1.00 0.00 C ATOM 788 C THR A 51 7.512 3.641 -0.797 1.00 0.00 C ATOM 789 O THR A 51 6.432 4.098 -0.479 1.00 0.00 O ATOM 790 CB THR A 51 9.507 4.966 -1.517 1.00 0.00 C ATOM 791 OG1 THR A 51 9.108 5.946 -0.569 1.00 0.00 O ATOM 792 CG2 THR A 51 10.180 5.648 -2.708 1.00 0.00 C ATOM 0 H THR A 51 7.626 6.093 -2.720 1.00 0.00 H new ATOM 0 HA THR A 51 8.602 3.374 -2.637 1.00 0.00 H new ATOM 0 HB THR A 51 10.212 4.276 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.895 6.441 -0.259 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.056 6.198 -2.365 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.486 4.894 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.478 6.339 -3.176 1.00 0.00 H new ATOM 800 N ALA A 52 8.049 2.661 -0.126 1.00 0.00 N ATOM 801 CA ALA A 52 7.320 2.103 1.043 1.00 0.00 C ATOM 802 C ALA A 52 7.174 3.207 2.093 1.00 0.00 C ATOM 803 O ALA A 52 6.320 3.166 2.958 1.00 0.00 O ATOM 804 CB ALA A 52 8.110 0.929 1.626 1.00 0.00 C ATOM 0 H ALA A 52 8.949 2.228 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 52 6.335 1.747 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.575 0.520 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.225 0.155 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.094 1.274 1.944 1.00 0.00 H new ATOM 810 N LYS A 53 8.019 4.201 2.002 1.00 0.00 N ATOM 811 CA LYS A 53 7.977 5.335 2.968 1.00 0.00 C ATOM 812 C LYS A 53 6.738 6.196 2.704 1.00 0.00 C ATOM 813 O LYS A 53 5.969 6.495 3.596 1.00 0.00 O ATOM 814 CB LYS A 53 9.241 6.186 2.796 1.00 0.00 C ATOM 815 CG LYS A 53 10.460 5.271 2.649 1.00 0.00 C ATOM 816 CD LYS A 53 11.731 6.119 2.577 1.00 0.00 C ATOM 817 CE LYS A 53 12.959 5.208 2.643 1.00 0.00 C ATOM 818 NZ LYS A 53 13.024 4.372 1.411 1.00 0.00 N ATOM 0 H LYS A 53 8.745 4.274 1.289 1.00 0.00 H new ATOM 0 HA LYS A 53 7.929 4.947 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.145 6.825 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.369 6.844 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.516 4.584 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.365 4.663 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.743 6.697 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.751 6.834 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.865 5.807 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.905 4.571 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.495 3.471 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.060 4.185 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.562 4.876 0.677 1.00 0.00 H new ATOM 832 N ASP A 54 6.484 6.544 1.480 1.00 0.00 N ATOM 833 CA ASP A 54 5.261 7.330 1.186 1.00 0.00 C ATOM 834 C ASP A 54 4.080 6.370 1.165 1.00 0.00 C ATOM 835 O ASP A 54 2.936 6.778 1.186 1.00 0.00 O ATOM 836 CB ASP A 54 5.406 8.033 -0.160 1.00 0.00 C ATOM 837 CG ASP A 54 4.084 8.706 -0.532 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.830 9.788 -0.028 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.346 8.129 -1.313 1.00 0.00 O ATOM 0 H ASP A 54 7.067 6.320 0.673 1.00 0.00 H new ATOM 0 HA ASP A 54 5.104 8.094 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.202 8.776 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.689 7.314 -0.929 1.00 0.00 H new ATOM 844 N LEU A 55 4.340 5.096 1.182 1.00 0.00 N ATOM 845 CA LEU A 55 3.219 4.127 1.225 1.00 0.00 C ATOM 846 C LEU A 55 2.632 4.185 2.635 1.00 0.00 C ATOM 847 O LEU A 55 1.459 3.941 2.851 1.00 0.00 O ATOM 848 CB LEU A 55 3.738 2.713 0.937 1.00 0.00 C ATOM 849 CG LEU A 55 2.556 1.732 0.791 1.00 0.00 C ATOM 850 CD1 LEU A 55 1.968 1.808 -0.624 1.00 0.00 C ATOM 851 CD2 LEU A 55 3.043 0.302 1.049 1.00 0.00 C ATOM 0 H LEU A 55 5.274 4.687 1.168 1.00 0.00 H new ATOM 0 HA LEU A 55 2.465 4.371 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.333 2.715 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.394 2.387 1.744 1.00 0.00 H new ATOM 0 HG LEU A 55 1.787 2.004 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.135 1.110 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.614 2.821 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.736 1.548 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.208 -0.391 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.818 0.046 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.450 0.233 2.058 1.00 0.00 H new ATOM 863 N GLN A 56 3.446 4.540 3.599 1.00 0.00 N ATOM 864 CA GLN A 56 2.956 4.645 5.001 1.00 0.00 C ATOM 865 C GLN A 56 2.298 6.012 5.204 1.00 0.00 C ATOM 866 O GLN A 56 1.398 6.161 6.005 1.00 0.00 O ATOM 867 CB GLN A 56 4.134 4.495 5.965 1.00 0.00 C ATOM 868 CG GLN A 56 4.611 3.041 5.968 1.00 0.00 C ATOM 869 CD GLN A 56 3.570 2.161 6.662 1.00 0.00 C ATOM 870 OE1 GLN A 56 3.179 1.135 6.140 1.00 0.00 O ATOM 871 NE2 GLN A 56 3.100 2.520 7.825 1.00 0.00 N ATOM 0 H GLN A 56 4.433 4.762 3.470 1.00 0.00 H new ATOM 0 HA GLN A 56 2.228 3.857 5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.948 5.155 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.835 4.793 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.769 2.697 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.569 2.963 6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.427 3.381 8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.405 1.940 8.295 1.00 0.00 H new ATOM 880 N ASP A 57 2.715 7.007 4.462 1.00 0.00 N ATOM 881 CA ASP A 57 2.079 8.352 4.602 1.00 0.00 C ATOM 882 C ASP A 57 0.749 8.342 3.849 1.00 0.00 C ATOM 883 O ASP A 57 -0.185 9.023 4.225 1.00 0.00 O ATOM 884 CB ASP A 57 2.996 9.445 4.048 1.00 0.00 C ATOM 885 CG ASP A 57 2.334 10.811 4.236 1.00 0.00 C ATOM 886 OD1 ASP A 57 2.176 11.220 5.374 1.00 0.00 O ATOM 887 OD2 ASP A 57 1.996 11.425 3.237 1.00 0.00 O ATOM 0 H ASP A 57 3.462 6.947 3.771 1.00 0.00 H new ATOM 0 HA ASP A 57 1.907 8.566 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.958 9.422 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.194 9.267 2.991 1.00 0.00 H new ATOM 892 N LEU A 58 0.618 7.528 2.841 1.00 0.00 N ATOM 893 CA LEU A 58 -0.695 7.437 2.141 1.00 0.00 C ATOM 894 C LEU A 58 -1.562 6.496 2.981 1.00 0.00 C ATOM 895 O LEU A 58 -2.773 6.492 2.882 1.00 0.00 O ATOM 896 CB LEU A 58 -0.509 6.900 0.708 1.00 0.00 C ATOM 897 CG LEU A 58 -0.474 8.064 -0.288 1.00 0.00 C ATOM 898 CD1 LEU A 58 0.685 9.003 0.052 1.00 0.00 C ATOM 899 CD2 LEU A 58 -0.286 7.515 -1.705 1.00 0.00 C ATOM 0 H LEU A 58 1.355 6.926 2.473 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.167 8.415 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.416 6.327 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.323 6.220 0.457 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.412 8.616 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.705 9.829 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.551 9.396 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.625 8.455 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.261 8.342 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.651 6.961 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.115 6.851 -1.951 1.00 0.00 H new ATOM 911 N LEU A 59 -0.946 5.740 3.848 1.00 0.00 N ATOM 912 CA LEU A 59 -1.719 4.838 4.752 1.00 0.00 C ATOM 913 C LEU A 59 -1.961 5.583 6.074 1.00 0.00 C ATOM 914 O LEU A 59 -3.070 5.953 6.394 1.00 0.00 O ATOM 915 CB LEU A 59 -0.913 3.560 5.017 1.00 0.00 C ATOM 916 CG LEU A 59 -1.795 2.510 5.723 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.655 1.753 4.700 1.00 0.00 C ATOM 918 CD2 LEU A 59 -0.906 1.504 6.462 1.00 0.00 C ATOM 0 H LEU A 59 0.066 5.707 3.971 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.669 4.563 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.537 3.157 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.045 3.790 5.634 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.446 3.025 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.271 1.016 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.298 2.458 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.008 1.247 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.531 0.763 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.250 1.005 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.303 2.028 7.204 1.00 0.00 H new ATOM 930 N GLN A 60 -0.927 5.810 6.838 1.00 0.00 N ATOM 931 CA GLN A 60 -1.081 6.534 8.139 1.00 0.00 C ATOM 932 C GLN A 60 -1.988 7.758 7.979 1.00 0.00 C ATOM 933 O GLN A 60 -2.605 8.209 8.923 1.00 0.00 O ATOM 934 CB GLN A 60 0.295 7.013 8.601 1.00 0.00 C ATOM 935 CG GLN A 60 1.145 5.806 9.007 1.00 0.00 C ATOM 936 CD GLN A 60 2.491 6.288 9.549 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.819 6.049 10.695 1.00 0.00 O ATOM 938 NE2 GLN A 60 3.292 6.962 8.769 1.00 0.00 N ATOM 0 H GLN A 60 0.027 5.524 6.617 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.526 5.854 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.787 7.565 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.190 7.697 9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.625 5.220 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.300 5.152 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.018 7.163 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.192 7.288 9.121 1.00 0.00 H new ATOM 947 N TYR A 61 -2.067 8.308 6.794 1.00 0.00 N ATOM 948 CA TYR A 61 -2.926 9.514 6.581 1.00 0.00 C ATOM 949 C TYR A 61 -4.302 9.083 6.081 1.00 0.00 C ATOM 950 O TYR A 61 -5.320 9.508 6.590 1.00 0.00 O ATOM 951 CB TYR A 61 -2.274 10.421 5.536 1.00 0.00 C ATOM 952 CG TYR A 61 -2.989 11.751 5.507 1.00 0.00 C ATOM 953 CD1 TYR A 61 -4.095 11.933 4.667 1.00 0.00 C ATOM 954 CD2 TYR A 61 -2.547 12.803 6.319 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.757 13.166 4.640 1.00 0.00 C ATOM 956 CE2 TYR A 61 -3.210 14.036 6.291 1.00 0.00 C ATOM 957 CZ TYR A 61 -4.315 14.217 5.452 1.00 0.00 C ATOM 958 OH TYR A 61 -4.969 15.432 5.424 1.00 0.00 O ATOM 0 H TYR A 61 -1.575 7.975 5.965 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.033 10.052 7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.220 10.568 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.317 9.951 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.437 11.122 4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.694 12.663 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.610 13.307 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.868 14.847 6.917 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.535 16.051 6.048 1.00 0.00 H new ATOM 968 N LEU A 62 -4.342 8.245 5.085 1.00 0.00 N ATOM 969 CA LEU A 62 -5.656 7.792 4.549 1.00 0.00 C ATOM 970 C LEU A 62 -6.256 6.750 5.496 1.00 0.00 C ATOM 971 O LEU A 62 -7.433 6.453 5.435 1.00 0.00 O ATOM 972 CB LEU A 62 -5.456 7.184 3.155 1.00 0.00 C ATOM 973 CG LEU A 62 -6.790 7.159 2.389 1.00 0.00 C ATOM 974 CD1 LEU A 62 -7.247 8.592 2.035 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.604 6.340 1.105 1.00 0.00 C ATOM 0 H LEU A 62 -3.523 7.854 4.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.337 8.640 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.720 7.765 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.061 6.172 3.245 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.556 6.705 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.192 8.549 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.379 9.168 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.493 9.071 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.542 6.314 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.832 6.800 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.305 5.324 1.362 1.00 0.00 H new ATOM 987 N CYS A 63 -5.456 6.207 6.384 1.00 0.00 N ATOM 988 CA CYS A 63 -5.966 5.193 7.360 1.00 0.00 C ATOM 989 C CYS A 63 -6.049 5.859 8.739 1.00 0.00 C ATOM 990 O CYS A 63 -6.299 7.044 8.839 1.00 0.00 O ATOM 991 CB CYS A 63 -5.002 3.993 7.390 1.00 0.00 C ATOM 992 SG CYS A 63 -3.594 4.320 8.479 1.00 0.00 S ATOM 0 H CYS A 63 -4.464 6.425 6.474 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.954 4.834 7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.532 3.104 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.645 3.783 6.382 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.916 3.225 8.652 1.00 0.00 H new ATOM 998 N SER A 64 -5.840 5.131 9.804 1.00 0.00 N ATOM 999 CA SER A 64 -5.911 5.775 11.147 1.00 0.00 C ATOM 1000 C SER A 64 -5.251 4.892 12.210 1.00 0.00 C ATOM 1001 O SER A 64 -4.263 5.268 12.810 1.00 0.00 O ATOM 1002 CB SER A 64 -7.371 6.002 11.507 1.00 0.00 C ATOM 1003 OG SER A 64 -7.487 6.208 12.909 1.00 0.00 O ATOM 0 H SER A 64 -5.626 4.134 9.803 1.00 0.00 H new ATOM 0 HA SER A 64 -5.378 6.725 11.114 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.759 6.866 10.968 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.969 5.143 11.204 1.00 0.00 H new ATOM 0 HG SER A 64 -8.428 6.356 13.141 1.00 0.00 H new ATOM 1009 N SER A 65 -5.785 3.727 12.459 1.00 0.00 N ATOM 1010 CA SER A 65 -5.179 2.838 13.495 1.00 0.00 C ATOM 1011 C SER A 65 -5.561 1.384 13.218 1.00 0.00 C ATOM 1012 O SER A 65 -4.820 0.643 12.595 1.00 0.00 O ATOM 1013 CB SER A 65 -5.696 3.244 14.876 1.00 0.00 C ATOM 1014 OG SER A 65 -5.250 2.299 15.840 1.00 0.00 O ATOM 0 H SER A 65 -6.611 3.352 11.993 1.00 0.00 H new ATOM 0 HA SER A 65 -4.094 2.937 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.337 4.240 15.133 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.785 3.289 14.871 1.00 0.00 H new ATOM 0 HG SER A 65 -5.578 2.557 16.727 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.711 0.959 13.673 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.115 -0.451 13.423 1.00 0.00 C ATOM 1022 C LEU A 66 -6.927 -0.754 11.934 1.00 0.00 C ATOM 1023 O LEU A 66 -6.289 -1.715 11.581 1.00 0.00 O ATOM 1024 CB LEU A 66 -8.574 -0.678 13.864 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.538 0.307 13.145 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.222 -0.386 11.948 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.618 0.790 14.128 1.00 0.00 C ATOM 0 H LEU A 66 -7.379 1.521 14.200 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.493 -1.129 14.007 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.868 -1.704 13.644 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.655 -0.548 14.943 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.958 1.156 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.894 0.317 11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.464 -0.721 11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.792 -1.245 12.302 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.291 1.480 13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.185 -0.066 14.495 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.144 1.298 14.968 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.519 0.031 11.064 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.405 -0.230 9.591 1.00 0.00 C ATOM 1041 C VAL A 67 -6.000 -0.764 9.256 1.00 0.00 C ATOM 1042 O VAL A 67 -5.844 -1.736 8.544 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.654 1.072 8.831 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.670 0.798 7.327 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.004 1.659 9.252 1.00 0.00 C ATOM 0 H VAL A 67 -8.080 0.846 11.312 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.144 -0.976 9.298 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.858 1.780 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.848 1.729 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.710 0.381 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.464 0.088 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.182 2.588 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.797 0.948 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.995 1.860 10.323 1.00 0.00 H new ATOM 1055 N ALA A 68 -4.981 -0.140 9.798 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.583 -0.607 9.554 1.00 0.00 C ATOM 1057 C ALA A 68 -3.473 -2.068 9.988 1.00 0.00 C ATOM 1058 O ALA A 68 -2.864 -2.886 9.322 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.613 0.241 10.380 1.00 0.00 C ATOM 0 H ALA A 68 -5.061 0.678 10.402 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.337 -0.511 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.592 -0.098 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.704 1.287 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.851 0.139 11.439 1.00 0.00 H new ATOM 1065 N SER A 69 -4.113 -2.409 11.073 1.00 0.00 N ATOM 1066 CA SER A 69 -4.118 -3.822 11.544 1.00 0.00 C ATOM 1067 C SER A 69 -4.658 -4.708 10.418 1.00 0.00 C ATOM 1068 O SER A 69 -3.948 -5.459 9.780 1.00 0.00 O ATOM 1069 CB SER A 69 -5.067 -3.919 12.752 1.00 0.00 C ATOM 1070 OG SER A 69 -4.836 -5.150 13.425 1.00 0.00 O ATOM 0 H SER A 69 -4.638 -1.761 11.659 1.00 0.00 H new ATOM 0 HA SER A 69 -3.113 -4.141 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.900 -3.082 13.430 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.104 -3.859 12.422 1.00 0.00 H new ATOM 0 HG SER A 69 -5.436 -5.218 14.197 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.941 -4.605 10.202 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.668 -5.381 9.167 1.00 0.00 C ATOM 1078 C LEU A 70 -5.918 -5.514 7.831 1.00 0.00 C ATOM 1079 O LEU A 70 -5.625 -6.601 7.374 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.973 -4.613 8.878 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.684 -4.222 10.188 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -10.090 -3.713 9.861 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -8.795 -5.433 11.125 1.00 0.00 C ATOM 0 H LEU A 70 -6.543 -3.977 10.735 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.809 -6.390 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.751 -3.717 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.635 -5.230 8.270 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.104 -3.444 10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.600 -3.434 10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.019 -2.843 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.654 -4.499 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.300 -5.137 12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.367 -6.221 10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.797 -5.802 11.362 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.746 -4.415 7.127 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.181 -4.520 5.750 1.00 0.00 C ATOM 1097 C HIS A 71 -3.857 -5.290 5.735 1.00 0.00 C ATOM 1098 O HIS A 71 -3.688 -6.270 5.018 1.00 0.00 O ATOM 1099 CB HIS A 71 -4.967 -3.133 5.132 1.00 0.00 C ATOM 1100 CG HIS A 71 -6.247 -2.345 5.132 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -6.323 -1.069 4.595 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -7.504 -2.631 5.592 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -7.588 -0.640 4.745 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -8.351 -1.554 5.348 1.00 0.00 N ATOM 0 H HIS A 71 -5.969 -3.471 7.443 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.910 -5.070 5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.203 -2.594 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.599 -3.238 4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.795 -3.554 6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.943 0.326 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.341 -1.479 5.580 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.885 -4.833 6.495 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.576 -5.536 6.465 1.00 0.00 C ATOM 1114 C HIS A 72 -1.772 -6.922 7.059 1.00 0.00 C ATOM 1115 O HIS A 72 -0.970 -7.807 6.860 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.498 -4.755 7.217 1.00 0.00 C ATOM 1117 CG HIS A 72 -0.213 -3.465 6.502 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.941 -2.733 6.734 1.00 0.00 N ATOM 1119 CD2 HIS A 72 -0.921 -2.761 5.560 1.00 0.00 C ATOM 1120 CE1 HIS A 72 0.894 -1.642 5.948 1.00 0.00 C ATOM 1121 NE2 HIS A 72 -0.220 -1.610 5.211 1.00 0.00 N ATOM 0 H HIS A 72 -2.945 -4.026 7.116 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.228 -5.619 5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.827 -4.552 8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.412 -5.350 7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.877 -3.055 5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.663 -0.884 5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.497 -0.896 4.538 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.872 -7.138 7.741 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.139 -8.500 8.279 1.00 0.00 C ATOM 1131 C GLN A 73 -2.989 -9.441 7.087 1.00 0.00 C ATOM 1132 O GLN A 73 -2.168 -10.334 7.082 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.563 -8.576 8.860 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.642 -9.690 9.909 1.00 0.00 C ATOM 1135 CD GLN A 73 -3.852 -9.281 11.153 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -3.594 -8.113 11.366 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -3.455 -10.200 11.990 1.00 0.00 N ATOM 0 H GLN A 73 -3.585 -6.437 7.944 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.456 -8.763 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.832 -7.621 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.281 -8.765 8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.682 -9.881 10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.241 -10.617 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.672 -11.181 11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.928 -9.938 12.823 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.774 -9.225 6.057 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.654 -10.088 4.847 1.00 0.00 C ATOM 1148 C GLN A 74 -2.164 -10.153 4.501 1.00 0.00 C ATOM 1149 O GLN A 74 -1.500 -11.145 4.728 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.425 -9.443 3.692 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.903 -9.327 4.076 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.718 -8.893 2.856 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.624 -7.763 2.419 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -7.522 -9.748 2.286 1.00 0.00 N ATOM 0 H GLN A 74 -4.485 -8.495 6.005 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.059 -11.085 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.016 -8.457 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.318 -10.042 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.269 -10.284 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.024 -8.604 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.601 -10.697 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.072 -9.468 1.474 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.633 -9.041 4.006 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.168 -8.924 3.687 1.00 0.00 C ATOM 1165 C LEU A 75 0.661 -9.739 4.682 1.00 0.00 C ATOM 1166 O LEU A 75 1.331 -10.674 4.294 1.00 0.00 O ATOM 1167 CB LEU A 75 0.212 -7.429 3.796 1.00 0.00 C ATOM 1168 CG LEU A 75 1.378 -7.096 2.853 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.750 -5.620 3.009 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.586 -7.964 3.210 1.00 0.00 C ATOM 0 H LEU A 75 -2.171 -8.197 3.809 1.00 0.00 H new ATOM 0 HA LEU A 75 0.032 -9.306 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.651 -6.810 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.490 -7.193 4.823 1.00 0.00 H new ATOM 0 HG LEU A 75 1.081 -7.292 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.577 -5.381 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.890 -4.999 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.048 -5.427 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.414 -7.728 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.884 -7.767 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.322 -9.016 3.104 1.00 0.00 H new ATOM 1182 N ASP A 76 0.611 -9.390 5.949 1.00 0.00 N ATOM 1183 CA ASP A 76 1.377 -10.133 7.010 1.00 0.00 C ATOM 1184 C ASP A 76 1.656 -11.574 6.569 1.00 0.00 C ATOM 1185 O ASP A 76 2.771 -11.961 6.252 1.00 0.00 O ATOM 1186 CB ASP A 76 0.499 -10.177 8.281 1.00 0.00 C ATOM 1187 CG ASP A 76 1.369 -10.513 9.499 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.142 -9.660 9.904 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.247 -11.617 10.003 1.00 0.00 O ATOM 0 H ASP A 76 0.061 -8.606 6.300 1.00 0.00 H new ATOM 0 HA ASP A 76 2.327 -9.629 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.006 -9.216 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.287 -10.924 8.166 1.00 0.00 H new ATOM 1194 N SER A 77 0.620 -12.363 6.539 1.00 0.00 N ATOM 1195 CA SER A 77 0.754 -13.774 6.128 1.00 0.00 C ATOM 1196 C SER A 77 0.823 -13.880 4.610 1.00 0.00 C ATOM 1197 O SER A 77 1.408 -14.806 4.084 1.00 0.00 O ATOM 1198 CB SER A 77 -0.470 -14.540 6.603 1.00 0.00 C ATOM 1199 OG SER A 77 -0.463 -14.612 8.023 1.00 0.00 O ATOM 0 H SER A 77 -0.327 -12.078 6.787 1.00 0.00 H new ATOM 0 HA SER A 77 1.666 -14.184 6.563 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.378 -14.046 6.258 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.472 -15.543 6.177 1.00 0.00 H new ATOM 0 HG SER A 77 -1.253 -15.104 8.329 1.00 0.00 H new ATOM 1205 N LEU A 78 0.216 -12.967 3.883 1.00 0.00 N ATOM 1206 CA LEU A 78 0.260 -13.089 2.406 1.00 0.00 C ATOM 1207 C LEU A 78 1.712 -13.283 2.002 1.00 0.00 C ATOM 1208 O LEU A 78 2.071 -14.277 1.409 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.341 -11.830 1.744 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.201 -12.233 0.547 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.060 -11.045 0.103 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.297 -12.669 -0.608 1.00 0.00 C ATOM 0 H LEU A 78 -0.295 -12.163 4.248 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.333 -13.940 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.943 -11.280 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.457 -11.162 1.421 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.851 -13.060 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.671 -11.337 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.707 -10.737 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.414 -10.215 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.911 -12.956 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.355 -11.843 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.309 -13.519 -0.295 1.00 0.00 H new ATOM 1224 N ILE A 79 2.571 -12.366 2.377 1.00 0.00 N ATOM 1225 CA ILE A 79 4.008 -12.528 2.083 1.00 0.00 C ATOM 1226 C ILE A 79 4.404 -13.931 2.547 1.00 0.00 C ATOM 1227 O ILE A 79 4.927 -14.720 1.785 1.00 0.00 O ATOM 1228 CB ILE A 79 4.770 -11.427 2.880 1.00 0.00 C ATOM 1229 CG1 ILE A 79 5.070 -10.213 1.973 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.087 -11.956 3.467 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.936 -10.611 0.767 1.00 0.00 C ATOM 0 H ILE A 79 2.326 -11.511 2.877 1.00 0.00 H new ATOM 0 HA ILE A 79 4.244 -12.423 1.024 1.00 0.00 H new ATOM 0 HB ILE A 79 4.124 -11.122 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.133 -9.779 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.581 -9.443 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.588 -11.158 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.877 -12.784 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.732 -12.302 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.127 -9.733 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.883 -11.021 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.413 -11.362 0.175 1.00 0.00 H new ATOM 1243 N SER A 80 4.168 -14.244 3.797 1.00 0.00 N ATOM 1244 CA SER A 80 4.545 -15.595 4.289 1.00 0.00 C ATOM 1245 C SER A 80 4.047 -16.657 3.303 1.00 0.00 C ATOM 1246 O SER A 80 4.791 -17.523 2.873 1.00 0.00 O ATOM 1247 CB SER A 80 3.915 -15.836 5.662 1.00 0.00 C ATOM 1248 OG SER A 80 4.577 -16.922 6.298 1.00 0.00 O ATOM 0 H SER A 80 3.736 -13.629 4.486 1.00 0.00 H new ATOM 0 HA SER A 80 5.630 -15.659 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.994 -14.938 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.853 -16.055 5.554 1.00 0.00 H new ATOM 0 HG SER A 80 4.177 -17.078 7.179 1.00 0.00 H new ATOM 1254 N GLU A 81 2.789 -16.617 2.950 1.00 0.00 N ATOM 1255 CA GLU A 81 2.260 -17.645 2.023 1.00 0.00 C ATOM 1256 C GLU A 81 2.706 -17.380 0.584 1.00 0.00 C ATOM 1257 O GLU A 81 2.745 -18.288 -0.224 1.00 0.00 O ATOM 1258 CB GLU A 81 0.731 -17.628 2.079 1.00 0.00 C ATOM 1259 CG GLU A 81 0.267 -17.939 3.503 1.00 0.00 C ATOM 1260 CD GLU A 81 0.495 -19.422 3.801 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -0.333 -20.221 3.396 1.00 0.00 O ATOM 1262 OE2 GLU A 81 1.493 -19.733 4.429 1.00 0.00 O ATOM 0 H GLU A 81 2.114 -15.920 3.264 1.00 0.00 H new ATOM 0 HA GLU A 81 2.648 -18.616 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.356 -16.653 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.323 -18.362 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.815 -17.325 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.789 -17.693 3.615 1.00 0.00 H new ATOM 1269 N ALA A 82 2.972 -16.147 0.210 1.00 0.00 N ATOM 1270 CA ALA A 82 3.317 -15.903 -1.223 1.00 0.00 C ATOM 1271 C ALA A 82 4.747 -16.356 -1.515 1.00 0.00 C ATOM 1272 O ALA A 82 5.067 -16.795 -2.597 1.00 0.00 O ATOM 1273 CB ALA A 82 3.184 -14.415 -1.547 1.00 0.00 C ATOM 0 H ALA A 82 2.965 -15.326 0.815 1.00 0.00 H new ATOM 0 HA ALA A 82 2.628 -16.476 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.437 -14.246 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.158 -14.093 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.861 -13.843 -0.913 1.00 0.00 H new ATOM 1279 N GLU A 83 5.626 -16.212 -0.550 1.00 0.00 N ATOM 1280 CA GLU A 83 7.042 -16.602 -0.785 1.00 0.00 C ATOM 1281 C GLU A 83 7.114 -18.118 -0.828 1.00 0.00 C ATOM 1282 O GLU A 83 7.899 -18.698 -1.550 1.00 0.00 O ATOM 1283 CB GLU A 83 7.941 -16.058 0.328 1.00 0.00 C ATOM 1284 CG GLU A 83 7.844 -14.532 0.367 1.00 0.00 C ATOM 1285 CD GLU A 83 8.568 -14.006 1.608 1.00 0.00 C ATOM 1286 OE1 GLU A 83 8.139 -14.331 2.703 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.540 -13.288 1.442 1.00 0.00 O ATOM 0 H GLU A 83 5.421 -15.844 0.379 1.00 0.00 H new ATOM 0 HA GLU A 83 7.391 -16.183 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.641 -16.476 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.973 -16.362 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.287 -14.106 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.799 -14.224 0.385 1.00 0.00 H new ATOM 1294 N THR A 84 6.270 -18.766 -0.078 1.00 0.00 N ATOM 1295 CA THR A 84 6.255 -20.241 -0.094 1.00 0.00 C ATOM 1296 C THR A 84 5.977 -20.693 -1.537 1.00 0.00 C ATOM 1297 O THR A 84 6.656 -21.547 -2.071 1.00 0.00 O ATOM 1298 CB THR A 84 5.135 -20.704 0.856 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.239 -19.626 1.054 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.717 -21.128 2.211 1.00 0.00 C ATOM 0 H THR A 84 5.590 -18.331 0.545 1.00 0.00 H new ATOM 0 HA THR A 84 7.202 -20.669 0.234 1.00 0.00 H new ATOM 0 HB THR A 84 4.620 -21.558 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.639 -19.553 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.910 -21.452 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.418 -21.950 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.237 -20.284 2.664 1.00 0.00 H new ATOM 1308 N ARG A 85 4.966 -20.129 -2.157 1.00 0.00 N ATOM 1309 CA ARG A 85 4.609 -20.512 -3.561 1.00 0.00 C ATOM 1310 C ARG A 85 5.869 -20.726 -4.402 1.00 0.00 C ATOM 1311 O ARG A 85 5.888 -21.558 -5.287 1.00 0.00 O ATOM 1312 CB ARG A 85 3.752 -19.396 -4.187 1.00 0.00 C ATOM 1313 CG ARG A 85 3.649 -19.575 -5.722 1.00 0.00 C ATOM 1314 CD ARG A 85 4.894 -18.997 -6.453 1.00 0.00 C ATOM 1315 NE ARG A 85 4.461 -18.126 -7.595 1.00 0.00 N ATOM 1316 CZ ARG A 85 3.554 -18.526 -8.450 1.00 0.00 C ATOM 1317 NH1 ARG A 85 3.060 -19.731 -8.371 1.00 0.00 N ATOM 1318 NH2 ARG A 85 3.160 -17.725 -9.401 1.00 0.00 N ATOM 0 H ARG A 85 4.368 -19.413 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 85 4.047 -21.446 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.755 -19.408 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.190 -18.424 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.547 -20.634 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.750 -19.079 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.500 -18.420 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.519 -19.810 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 85 4.882 -17.204 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.380 -20.367 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.353 -20.037 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.558 -16.789 -9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.453 -18.034 -10.068 1.00 0.00 H new ATOM 1332 N GLY A 86 6.927 -19.995 -4.137 1.00 0.00 N ATOM 1333 CA GLY A 86 8.190 -20.172 -4.929 1.00 0.00 C ATOM 1334 C GLY A 86 8.393 -18.977 -5.870 1.00 0.00 C ATOM 1335 O GLY A 86 8.499 -19.134 -7.071 1.00 0.00 O ATOM 0 H GLY A 86 6.972 -19.284 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.042 -20.263 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.140 -21.095 -5.506 1.00 0.00 H new ATOM 1339 N ILE A 87 8.463 -17.787 -5.335 1.00 0.00 N ATOM 1340 CA ILE A 87 8.675 -16.585 -6.198 1.00 0.00 C ATOM 1341 C ILE A 87 10.047 -16.712 -6.899 1.00 0.00 C ATOM 1342 O ILE A 87 10.521 -17.801 -7.151 1.00 0.00 O ATOM 1343 CB ILE A 87 8.620 -15.319 -5.306 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.303 -15.323 -4.517 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.699 -14.017 -6.152 1.00 0.00 C ATOM 1346 CD1 ILE A 87 7.350 -14.225 -3.452 1.00 0.00 C ATOM 0 H ILE A 87 8.383 -17.594 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 87 7.900 -16.509 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 87 9.477 -15.339 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.462 -15.157 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.149 -16.295 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.657 -13.151 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.635 -14.003 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.860 -13.983 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.417 -14.224 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.183 -14.411 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.484 -13.256 -3.934 1.00 0.00 H new ATOM 1358 N THR A 88 10.672 -15.610 -7.214 1.00 0.00 N ATOM 1359 CA THR A 88 11.999 -15.656 -7.892 1.00 0.00 C ATOM 1360 C THR A 88 13.023 -16.247 -6.924 1.00 0.00 C ATOM 1361 O THR A 88 14.007 -15.618 -6.589 1.00 0.00 O ATOM 1362 CB THR A 88 12.422 -14.237 -8.285 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.112 -13.344 -7.224 1.00 0.00 O ATOM 1364 CG2 THR A 88 11.676 -13.807 -9.550 1.00 0.00 C ATOM 0 H THR A 88 10.317 -14.672 -7.029 1.00 0.00 H new ATOM 0 HA THR A 88 11.938 -16.271 -8.790 1.00 0.00 H new ATOM 0 HB THR A 88 13.495 -14.219 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.383 -12.435 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.980 -12.797 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.914 -14.493 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.602 -13.824 -9.363 1.00 0.00 H new ATOM 1372 N SER A 89 12.793 -17.451 -6.467 1.00 0.00 N ATOM 1373 CA SER A 89 13.739 -18.093 -5.504 1.00 0.00 C ATOM 1374 C SER A 89 14.122 -17.077 -4.424 1.00 0.00 C ATOM 1375 O SER A 89 15.084 -17.254 -3.709 1.00 0.00 O ATOM 1376 CB SER A 89 14.992 -18.570 -6.240 1.00 0.00 C ATOM 1377 OG SER A 89 15.867 -19.204 -5.317 1.00 0.00 O ATOM 0 H SER A 89 11.986 -18.021 -6.721 1.00 0.00 H new ATOM 0 HA SER A 89 13.258 -18.954 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.719 -19.264 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.494 -17.726 -6.713 1.00 0.00 H new ATOM 0 HG SER A 89 15.861 -18.712 -4.469 1.00 0.00 H new ATOM 1383 N TYR A 90 13.341 -16.030 -4.312 1.00 0.00 N ATOM 1384 CA TYR A 90 13.565 -14.951 -3.297 1.00 0.00 C ATOM 1385 C TYR A 90 15.033 -14.497 -3.227 1.00 0.00 C ATOM 1386 O TYR A 90 15.947 -15.279 -3.074 1.00 0.00 O ATOM 1387 CB TYR A 90 13.091 -15.417 -1.917 1.00 0.00 C ATOM 1388 CG TYR A 90 13.612 -16.802 -1.618 1.00 0.00 C ATOM 1389 CD1 TYR A 90 14.852 -16.965 -0.989 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.851 -17.925 -1.967 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.332 -18.251 -0.709 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.331 -19.210 -1.688 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.571 -19.373 -1.059 1.00 0.00 C ATOM 1394 OH TYR A 90 15.043 -20.640 -0.783 1.00 0.00 O ATOM 0 H TYR A 90 12.526 -15.874 -4.906 1.00 0.00 H new ATOM 0 HA TYR A 90 12.979 -14.089 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.436 -14.720 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.002 -15.416 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.439 -16.099 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.894 -17.799 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.288 -18.377 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.745 -20.076 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 90 14.392 -21.306 -1.090 1.00 0.00 H new ATOM 1404 N ASN A 91 15.253 -13.209 -3.329 1.00 0.00 N ATOM 1405 CA ASN A 91 16.642 -12.653 -3.268 1.00 0.00 C ATOM 1406 C ASN A 91 16.692 -11.392 -2.361 1.00 0.00 C ATOM 1407 O ASN A 91 17.487 -11.356 -1.444 1.00 0.00 O ATOM 1408 CB ASN A 91 17.160 -12.323 -4.707 1.00 0.00 C ATOM 1409 CG ASN A 91 16.134 -12.764 -5.760 1.00 0.00 C ATOM 1410 OD1 ASN A 91 15.700 -11.971 -6.571 1.00 0.00 O ATOM 1411 ND2 ASN A 91 15.730 -14.005 -5.779 1.00 0.00 N ATOM 0 H ASN A 91 14.520 -12.510 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 91 17.296 -13.408 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.346 -11.253 -4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.110 -12.827 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 91 15.049 -14.309 -6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 91 16.095 -14.671 -5.098 1.00 0.00 H new ATOM 1418 N PRO A 92 15.873 -10.370 -2.636 1.00 0.00 N ATOM 1419 CA PRO A 92 15.885 -9.121 -1.835 1.00 0.00 C ATOM 1420 C PRO A 92 14.918 -9.181 -0.651 1.00 0.00 C ATOM 1421 O PRO A 92 15.156 -8.547 0.358 1.00 0.00 O ATOM 1422 CB PRO A 92 15.377 -8.065 -2.818 1.00 0.00 C ATOM 1423 CG PRO A 92 14.479 -8.831 -3.827 1.00 0.00 C ATOM 1424 CD PRO A 92 14.884 -10.322 -3.747 1.00 0.00 C ATOM 0 HA PRO A 92 16.874 -8.927 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.812 -7.288 -2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.206 -7.572 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.425 -8.703 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.619 -8.447 -4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.023 -10.959 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.320 -10.668 -4.684 1.00 0.00 H new ATOM 1432 N LEU A 93 13.825 -9.894 -0.754 1.00 0.00 N ATOM 1433 CA LEU A 93 12.879 -9.914 0.403 1.00 0.00 C ATOM 1434 C LEU A 93 13.692 -10.204 1.651 1.00 0.00 C ATOM 1435 O LEU A 93 13.640 -9.464 2.589 1.00 0.00 O ATOM 1436 CB LEU A 93 11.787 -10.972 0.208 1.00 0.00 C ATOM 1437 CG LEU A 93 11.393 -11.046 -1.285 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.177 -12.167 -1.971 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.892 -11.336 -1.411 1.00 0.00 C ATOM 0 H LEU A 93 13.551 -10.449 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 93 12.373 -8.952 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.144 -11.944 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.915 -10.724 0.812 1.00 0.00 H new ATOM 0 HG LEU A 93 11.624 -10.093 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.897 -12.216 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.245 -11.967 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.948 -13.118 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.619 -11.387 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.664 -12.287 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.326 -10.540 -0.928 1.00 0.00 H new ATOM 1451 N ALA A 94 14.428 -11.291 1.612 1.00 0.00 N ATOM 1452 CA ALA A 94 15.312 -11.735 2.750 1.00 0.00 C ATOM 1453 C ALA A 94 15.408 -10.635 3.819 1.00 0.00 C ATOM 1454 O ALA A 94 15.080 -10.833 4.972 1.00 0.00 O ATOM 1455 CB ALA A 94 16.700 -12.026 2.182 1.00 0.00 C ATOM 0 H ALA A 94 14.455 -11.916 0.806 1.00 0.00 H new ATOM 0 HA ALA A 94 14.894 -12.626 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.361 -12.350 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.628 -12.813 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.102 -11.123 1.723 1.00 0.00 H new ATOM 1461 N GLY A 95 15.819 -9.464 3.413 1.00 0.00 N ATOM 1462 CA GLY A 95 15.900 -8.312 4.367 1.00 0.00 C ATOM 1463 C GLY A 95 14.467 -7.912 4.761 1.00 0.00 C ATOM 1464 O GLY A 95 13.557 -8.694 4.605 1.00 0.00 O ATOM 0 H GLY A 95 16.104 -9.251 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.474 -8.590 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.416 -7.471 3.904 1.00 0.00 H new ATOM 1468 N PRO A 96 14.275 -6.719 5.270 1.00 0.00 N ATOM 1469 CA PRO A 96 12.915 -6.287 5.644 1.00 0.00 C ATOM 1470 C PRO A 96 12.128 -5.995 4.345 1.00 0.00 C ATOM 1471 O PRO A 96 12.711 -5.964 3.278 1.00 0.00 O ATOM 1472 CB PRO A 96 13.134 -5.018 6.492 1.00 0.00 C ATOM 1473 CG PRO A 96 14.648 -4.642 6.370 1.00 0.00 C ATOM 1474 CD PRO A 96 15.348 -5.761 5.557 1.00 0.00 C ATOM 0 HA PRO A 96 12.343 -7.027 6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.504 -4.203 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.864 -5.198 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.764 -3.679 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.099 -4.548 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.790 -5.371 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.154 -6.224 6.127 1.00 0.00 H new ATOM 1482 N LEU A 97 10.836 -5.771 4.390 1.00 0.00 N ATOM 1483 CA LEU A 97 10.104 -5.479 3.113 1.00 0.00 C ATOM 1484 C LEU A 97 10.431 -4.045 2.660 1.00 0.00 C ATOM 1485 O LEU A 97 10.918 -3.837 1.564 1.00 0.00 O ATOM 1486 CB LEU A 97 8.595 -5.630 3.330 1.00 0.00 C ATOM 1487 CG LEU A 97 8.319 -6.874 4.177 1.00 0.00 C ATOM 1488 CD1 LEU A 97 6.809 -7.062 4.328 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.920 -8.105 3.491 1.00 0.00 C ATOM 0 H LEU A 97 10.265 -5.777 5.235 1.00 0.00 H new ATOM 0 HA LEU A 97 10.418 -6.183 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.199 -4.744 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.086 -5.711 2.370 1.00 0.00 H new ATOM 0 HG LEU A 97 8.771 -6.750 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.611 -7.948 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.381 -6.187 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.357 -7.185 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.723 -8.991 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.469 -8.229 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.996 -7.972 3.383 1.00 0.00 H new ATOM 1501 N ARG A 98 10.137 -3.054 3.480 1.00 0.00 N ATOM 1502 CA ARG A 98 10.417 -1.622 3.103 1.00 0.00 C ATOM 1503 C ARG A 98 11.754 -1.539 2.349 1.00 0.00 C ATOM 1504 O ARG A 98 11.994 -0.663 1.549 1.00 0.00 O ATOM 1505 CB ARG A 98 10.527 -0.788 4.392 1.00 0.00 C ATOM 1506 CG ARG A 98 9.127 -0.444 4.914 1.00 0.00 C ATOM 1507 CD ARG A 98 9.229 0.076 6.349 1.00 0.00 C ATOM 1508 NE ARG A 98 7.869 0.432 6.845 1.00 0.00 N ATOM 1509 CZ ARG A 98 7.669 0.627 8.120 1.00 0.00 C ATOM 1510 NH1 ARG A 98 8.662 0.521 8.960 1.00 0.00 N ATOM 1511 NH2 ARG A 98 6.477 0.932 8.554 1.00 0.00 N ATOM 0 H ARG A 98 9.713 -3.177 4.399 1.00 0.00 H new ATOM 0 HA ARG A 98 9.614 -1.246 2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.080 -1.344 5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.086 0.127 4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.664 0.309 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.488 -1.327 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.675 -0.683 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.881 0.948 6.386 1.00 0.00 H new ATOM 0 HE ARG A 98 7.094 0.523 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.595 0.286 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.506 0.673 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.702 1.018 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.321 1.084 9.550 1.00 0.00 H new ATOM 1525 N VAL A 99 12.596 -2.491 2.616 1.00 0.00 N ATOM 1526 CA VAL A 99 13.928 -2.567 1.952 1.00 0.00 C ATOM 1527 C VAL A 99 13.739 -3.142 0.547 1.00 0.00 C ATOM 1528 O VAL A 99 14.299 -2.654 -0.415 1.00 0.00 O ATOM 1529 CB VAL A 99 14.864 -3.468 2.805 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.764 -4.347 1.914 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.758 -2.579 3.686 1.00 0.00 C ATOM 0 H VAL A 99 12.415 -3.241 3.284 1.00 0.00 H new ATOM 0 HA VAL A 99 14.381 -1.579 1.869 1.00 0.00 H new ATOM 0 HB VAL A 99 14.241 -4.119 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.406 -4.965 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.142 -4.988 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.381 -3.710 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.417 -3.207 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.358 -1.925 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.134 -1.974 4.344 1.00 0.00 H new ATOM 1541 N GLN A 100 12.974 -4.179 0.425 1.00 0.00 N ATOM 1542 CA GLN A 100 12.767 -4.793 -0.896 1.00 0.00 C ATOM 1543 C GLN A 100 12.405 -3.744 -1.956 1.00 0.00 C ATOM 1544 O GLN A 100 13.059 -3.637 -2.974 1.00 0.00 O ATOM 1545 CB GLN A 100 11.631 -5.824 -0.797 1.00 0.00 C ATOM 1546 CG GLN A 100 11.822 -6.902 -1.857 1.00 0.00 C ATOM 1547 CD GLN A 100 12.143 -6.241 -3.204 1.00 0.00 C ATOM 1548 OE1 GLN A 100 13.190 -6.459 -3.775 1.00 0.00 O ATOM 1549 NE2 GLN A 100 11.282 -5.411 -3.728 1.00 0.00 N ATOM 0 H GLN A 100 12.479 -4.630 1.195 1.00 0.00 H new ATOM 0 HA GLN A 100 13.698 -5.273 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.621 -6.274 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.668 -5.332 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.630 -7.573 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.920 -7.508 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.399 -5.224 -3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.492 -4.950 -4.613 1.00 0.00 H new ATOM 1558 N ALA A 101 11.345 -3.003 -1.762 1.00 0.00 N ATOM 1559 CA ALA A 101 10.948 -2.017 -2.820 1.00 0.00 C ATOM 1560 C ALA A 101 11.824 -0.762 -2.741 1.00 0.00 C ATOM 1561 O ALA A 101 12.155 -0.181 -3.755 1.00 0.00 O ATOM 1562 CB ALA A 101 9.460 -1.670 -2.692 1.00 0.00 C ATOM 0 H ALA A 101 10.746 -3.033 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 101 11.104 -2.469 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.186 -0.953 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.864 -2.575 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.271 -1.234 -1.711 1.00 0.00 H new ATOM 1568 N ASN A 102 12.224 -0.341 -1.582 1.00 0.00 N ATOM 1569 CA ASN A 102 13.098 0.863 -1.523 1.00 0.00 C ATOM 1570 C ASN A 102 14.469 0.486 -2.086 1.00 0.00 C ATOM 1571 O ASN A 102 15.493 0.854 -1.544 1.00 0.00 O ATOM 1572 CB ASN A 102 13.253 1.340 -0.077 1.00 0.00 C ATOM 1573 CG ASN A 102 11.882 1.719 0.487 1.00 0.00 C ATOM 1574 OD1 ASN A 102 10.940 1.914 -0.254 1.00 0.00 O ATOM 1575 ND2 ASN A 102 11.731 1.834 1.778 1.00 0.00 N ATOM 0 H ASN A 102 11.991 -0.766 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 102 12.652 1.669 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.703 0.554 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.924 2.198 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.822 2.088 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.522 1.670 2.401 1.00 0.00 H new ATOM 1582 N ASN A 103 14.495 -0.258 -3.171 1.00 0.00 N ATOM 1583 CA ASN A 103 15.793 -0.682 -3.783 1.00 0.00 C ATOM 1584 C ASN A 103 15.771 -0.381 -5.299 1.00 0.00 C ATOM 1585 O ASN A 103 15.262 -1.182 -6.057 1.00 0.00 O ATOM 1586 CB ASN A 103 15.954 -2.193 -3.590 1.00 0.00 C ATOM 1587 CG ASN A 103 16.295 -2.488 -2.128 1.00 0.00 C ATOM 1588 OD1 ASN A 103 16.242 -1.610 -1.290 1.00 0.00 O ATOM 1589 ND2 ASN A 103 16.648 -3.697 -1.784 1.00 0.00 N ATOM 0 H ASN A 103 13.664 -0.590 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 103 16.615 -0.144 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.034 -2.706 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.742 -2.572 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.879 -3.904 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.693 -4.435 -2.487 1.00 0.00 H new ATOM 1596 N PRO A 104 16.315 0.751 -5.718 1.00 0.00 N ATOM 1597 CA PRO A 104 16.333 1.108 -7.153 1.00 0.00 C ATOM 1598 C PRO A 104 16.997 -0.006 -7.976 1.00 0.00 C ATOM 1599 O PRO A 104 16.776 -0.117 -9.166 1.00 0.00 O ATOM 1600 CB PRO A 104 17.137 2.428 -7.223 1.00 0.00 C ATOM 1601 CG PRO A 104 17.341 2.919 -5.764 1.00 0.00 C ATOM 1602 CD PRO A 104 16.951 1.754 -4.830 1.00 0.00 C ATOM 0 HA PRO A 104 15.332 1.229 -7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.097 2.268 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.601 3.175 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.377 3.214 -5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.725 3.795 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.826 1.340 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.264 2.085 -4.051 1.00 0.00 H new ATOM 1610 N GLN A 105 17.802 -0.831 -7.365 1.00 0.00 N ATOM 1611 CA GLN A 105 18.459 -1.924 -8.138 1.00 0.00 C ATOM 1612 C GLN A 105 17.463 -3.069 -8.352 1.00 0.00 C ATOM 1613 O GLN A 105 17.149 -3.427 -9.470 1.00 0.00 O ATOM 1614 CB GLN A 105 19.678 -2.437 -7.369 1.00 0.00 C ATOM 1615 CG GLN A 105 20.597 -1.263 -7.027 1.00 0.00 C ATOM 1616 CD GLN A 105 21.768 -1.760 -6.178 1.00 0.00 C ATOM 1617 OE1 GLN A 105 21.776 -1.593 -4.975 1.00 0.00 O ATOM 1618 NE2 GLN A 105 22.765 -2.370 -6.758 1.00 0.00 N ATOM 0 H GLN A 105 18.032 -0.797 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 105 18.781 -1.540 -9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.360 -2.941 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.216 -3.172 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.968 -0.800 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.041 -0.498 -6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 105 22.759 -2.511 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.551 -2.706 -6.201 1.00 0.00 H new ATOM 1627 N GLN A 106 16.961 -3.647 -7.291 1.00 0.00 N ATOM 1628 CA GLN A 106 15.983 -4.771 -7.432 1.00 0.00 C ATOM 1629 C GLN A 106 14.556 -4.225 -7.321 1.00 0.00 C ATOM 1630 O GLN A 106 13.935 -4.290 -6.278 1.00 0.00 O ATOM 1631 CB GLN A 106 16.229 -5.793 -6.320 1.00 0.00 C ATOM 1632 CG GLN A 106 17.675 -6.287 -6.398 1.00 0.00 C ATOM 1633 CD GLN A 106 17.956 -7.239 -5.235 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.788 -8.436 -5.360 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.380 -6.755 -4.100 1.00 0.00 N ATOM 0 H GLN A 106 17.186 -3.389 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 106 16.110 -5.249 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.039 -5.341 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.540 -6.632 -6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.845 -6.796 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.361 -5.441 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.521 -5.750 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.570 -7.381 -3.318 1.00 0.00 H new ATOM 1644 N GLN A 107 14.036 -3.676 -8.389 1.00 0.00 N ATOM 1645 CA GLN A 107 12.651 -3.111 -8.355 1.00 0.00 C ATOM 1646 C GLN A 107 11.632 -4.164 -8.817 1.00 0.00 C ATOM 1647 O GLN A 107 10.443 -3.956 -8.744 1.00 0.00 O ATOM 1648 CB GLN A 107 12.579 -1.894 -9.282 1.00 0.00 C ATOM 1649 CG GLN A 107 13.024 -2.292 -10.691 1.00 0.00 C ATOM 1650 CD GLN A 107 13.009 -1.059 -11.597 1.00 0.00 C ATOM 1651 OE1 GLN A 107 13.616 -1.057 -12.650 1.00 0.00 O ATOM 1652 NE2 GLN A 107 12.337 -0.002 -11.230 1.00 0.00 N ATOM 0 H GLN A 107 14.512 -3.594 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 107 12.414 -2.816 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.561 -1.504 -9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.216 -1.096 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.025 -2.722 -10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.360 -3.059 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.827 -0.003 -10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.321 0.825 -11.827 1.00 0.00 H new ATOM 1661 N GLY A 108 12.072 -5.297 -9.291 1.00 0.00 N ATOM 1662 CA GLY A 108 11.087 -6.332 -9.737 1.00 0.00 C ATOM 1663 C GLY A 108 10.049 -6.538 -8.628 1.00 0.00 C ATOM 1664 O GLY A 108 8.875 -6.275 -8.793 1.00 0.00 O ATOM 0 H GLY A 108 13.055 -5.552 -9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.597 -6.015 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.598 -7.270 -9.954 1.00 0.00 H new ATOM 1668 N LEU A 109 10.496 -6.997 -7.497 1.00 0.00 N ATOM 1669 CA LEU A 109 9.586 -7.224 -6.343 1.00 0.00 C ATOM 1670 C LEU A 109 8.882 -5.912 -5.952 1.00 0.00 C ATOM 1671 O LEU A 109 8.089 -5.889 -5.037 1.00 0.00 O ATOM 1672 CB LEU A 109 10.423 -7.759 -5.170 1.00 0.00 C ATOM 1673 CG LEU A 109 10.409 -9.300 -5.108 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.144 -9.780 -4.383 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.483 -9.930 -6.516 1.00 0.00 C ATOM 0 H LEU A 109 11.473 -7.229 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 109 8.816 -7.948 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.451 -7.409 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.037 -7.355 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 109 11.292 -9.621 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.139 -10.869 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.131 -9.379 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.262 -9.433 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.471 -11.016 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.627 -9.603 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.404 -9.615 -7.007 1.00 0.00 H new ATOM 1687 N ARG A 110 9.107 -4.837 -6.663 1.00 0.00 N ATOM 1688 CA ARG A 110 8.376 -3.563 -6.340 1.00 0.00 C ATOM 1689 C ARG A 110 7.110 -3.533 -7.191 1.00 0.00 C ATOM 1690 O ARG A 110 6.074 -3.068 -6.755 1.00 0.00 O ATOM 1691 CB ARG A 110 9.234 -2.326 -6.632 1.00 0.00 C ATOM 1692 CG ARG A 110 8.486 -1.071 -6.178 1.00 0.00 C ATOM 1693 CD ARG A 110 9.345 0.167 -6.456 1.00 0.00 C ATOM 1694 NE ARG A 110 10.735 -0.069 -5.974 1.00 0.00 N ATOM 1695 CZ ARG A 110 11.705 0.706 -6.377 1.00 0.00 C ATOM 1696 NH1 ARG A 110 11.459 1.685 -7.204 1.00 0.00 N ATOM 1697 NH2 ARG A 110 12.923 0.500 -5.955 1.00 0.00 N ATOM 0 H ARG A 110 9.757 -4.780 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 110 8.138 -3.540 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.189 -2.401 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.455 -2.266 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.535 -0.992 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.257 -1.136 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.352 0.385 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.919 1.037 -5.956 1.00 0.00 H new ATOM 0 HE ARG A 110 10.928 -0.836 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.508 1.845 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.218 2.290 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.117 -0.266 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.681 1.105 -6.270 1.00 0.00 H new ATOM 1711 N ARG A 111 7.154 -4.082 -8.373 1.00 0.00 N ATOM 1712 CA ARG A 111 5.912 -4.134 -9.201 1.00 0.00 C ATOM 1713 C ARG A 111 5.123 -5.372 -8.769 1.00 0.00 C ATOM 1714 O ARG A 111 3.909 -5.406 -8.847 1.00 0.00 O ATOM 1715 CB ARG A 111 6.248 -4.216 -10.698 1.00 0.00 C ATOM 1716 CG ARG A 111 7.283 -3.127 -11.087 1.00 0.00 C ATOM 1717 CD ARG A 111 8.670 -3.753 -11.278 1.00 0.00 C ATOM 1718 NE ARG A 111 8.691 -4.532 -12.549 1.00 0.00 N ATOM 1719 CZ ARG A 111 9.830 -4.880 -13.083 1.00 0.00 C ATOM 1720 NH1 ARG A 111 10.951 -4.531 -12.515 1.00 0.00 N ATOM 1721 NH2 ARG A 111 9.846 -5.573 -14.189 1.00 0.00 N ATOM 0 H ARG A 111 7.984 -4.493 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 111 5.326 -3.227 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.645 -5.203 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.340 -4.089 -11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.971 -2.631 -12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.325 -2.363 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.432 -2.974 -11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.907 -4.403 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 111 7.815 -4.793 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.938 -3.986 -11.653 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.841 -4.803 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.969 -5.842 -14.635 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.735 -5.846 -14.607 1.00 0.00 H new ATOM 1735 N GLU A 112 5.791 -6.379 -8.276 1.00 0.00 N ATOM 1736 CA GLU A 112 5.053 -7.583 -7.804 1.00 0.00 C ATOM 1737 C GLU A 112 4.487 -7.282 -6.418 1.00 0.00 C ATOM 1738 O GLU A 112 3.342 -7.562 -6.129 1.00 0.00 O ATOM 1739 CB GLU A 112 5.996 -8.787 -7.729 1.00 0.00 C ATOM 1740 CG GLU A 112 5.173 -10.072 -7.601 1.00 0.00 C ATOM 1741 CD GLU A 112 6.106 -11.248 -7.305 1.00 0.00 C ATOM 1742 OE1 GLU A 112 6.645 -11.803 -8.249 1.00 0.00 O ATOM 1743 OE2 GLU A 112 6.266 -11.574 -6.140 1.00 0.00 O ATOM 0 H GLU A 112 6.806 -6.420 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 112 4.248 -7.821 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.620 -8.830 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.666 -8.685 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.438 -9.968 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.620 -10.256 -8.522 1.00 0.00 H new ATOM 1750 N TYR A 113 5.280 -6.698 -5.559 1.00 0.00 N ATOM 1751 CA TYR A 113 4.775 -6.366 -4.199 1.00 0.00 C ATOM 1752 C TYR A 113 3.444 -5.624 -4.344 1.00 0.00 C ATOM 1753 O TYR A 113 2.409 -6.106 -3.926 1.00 0.00 O ATOM 1754 CB TYR A 113 5.794 -5.485 -3.465 1.00 0.00 C ATOM 1755 CG TYR A 113 5.196 -4.951 -2.184 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.334 -5.677 -0.995 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.513 -3.728 -2.183 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.787 -5.182 0.195 1.00 0.00 C ATOM 1759 CE2 TYR A 113 3.968 -3.233 -0.992 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.105 -3.960 0.197 1.00 0.00 C ATOM 1761 OH TYR A 113 3.569 -3.471 1.371 1.00 0.00 O ATOM 0 H TYR A 113 6.250 -6.439 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 113 4.629 -7.278 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.691 -6.062 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.098 -4.657 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.862 -6.619 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.407 -3.167 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.891 -5.743 1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.442 -2.290 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 113 2.701 -3.055 1.186 1.00 0.00 H new ATOM 1771 N GLN A 114 3.457 -4.448 -4.915 1.00 0.00 N ATOM 1772 CA GLN A 114 2.189 -3.682 -5.062 1.00 0.00 C ATOM 1773 C GLN A 114 1.089 -4.581 -5.635 1.00 0.00 C ATOM 1774 O GLN A 114 -0.068 -4.454 -5.287 1.00 0.00 O ATOM 1775 CB GLN A 114 2.414 -2.480 -5.989 1.00 0.00 C ATOM 1776 CG GLN A 114 2.915 -2.954 -7.359 1.00 0.00 C ATOM 1777 CD GLN A 114 1.735 -3.439 -8.208 1.00 0.00 C ATOM 1778 OE1 GLN A 114 0.591 -3.257 -7.842 1.00 0.00 O ATOM 1779 NE2 GLN A 114 1.967 -4.050 -9.338 1.00 0.00 N ATOM 0 H GLN A 114 4.289 -3.988 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 114 1.876 -3.327 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.484 -1.923 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.140 -1.799 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.430 -2.140 -7.869 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.638 -3.760 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.927 -4.204 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.188 -4.374 -9.912 1.00 0.00 H new ATOM 1788 N GLN A 115 1.433 -5.489 -6.509 1.00 0.00 N ATOM 1789 CA GLN A 115 0.392 -6.386 -7.092 1.00 0.00 C ATOM 1790 C GLN A 115 -0.282 -7.178 -5.967 1.00 0.00 C ATOM 1791 O GLN A 115 -1.487 -7.339 -5.939 1.00 0.00 O ATOM 1792 CB GLN A 115 1.045 -7.354 -8.084 1.00 0.00 C ATOM 1793 CG GLN A 115 -0.033 -7.982 -8.971 1.00 0.00 C ATOM 1794 CD GLN A 115 0.617 -8.967 -9.945 1.00 0.00 C ATOM 1795 OE1 GLN A 115 1.650 -8.682 -10.516 1.00 0.00 O ATOM 1796 NE2 GLN A 115 0.050 -10.123 -10.159 1.00 0.00 N ATOM 0 H GLN A 115 2.383 -5.648 -6.843 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.355 -5.788 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.774 -6.825 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.587 -8.132 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.771 -8.496 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.563 -7.205 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.818 -10.362 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.475 -10.787 -10.806 1.00 0.00 H new ATOM 1805 N LEU A 116 0.487 -7.656 -5.027 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.103 -8.420 -3.891 1.00 0.00 C ATOM 1807 C LEU A 116 -0.618 -7.433 -2.843 1.00 0.00 C ATOM 1808 O LEU A 116 -1.425 -7.770 -1.996 1.00 0.00 O ATOM 1809 CB LEU A 116 0.965 -9.322 -3.264 1.00 0.00 C ATOM 1810 CG LEU A 116 1.719 -10.078 -4.361 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.814 -10.938 -3.725 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.745 -10.979 -5.129 1.00 0.00 C ATOM 0 H LEU A 116 1.501 -7.550 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.924 -9.039 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.662 -8.722 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.499 -10.029 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 116 2.169 -9.363 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.352 -11.477 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.509 -10.298 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.362 -11.652 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.284 -11.516 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.293 -11.695 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.036 -10.368 -5.582 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.189 -6.205 -2.912 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.679 -5.195 -1.940 1.00 0.00 C ATOM 1826 C TRP A 117 -2.093 -4.776 -2.347 1.00 0.00 C ATOM 1827 O TRP A 117 -2.930 -4.478 -1.516 1.00 0.00 O ATOM 1828 CB TRP A 117 0.246 -3.971 -1.960 1.00 0.00 C ATOM 1829 CG TRP A 117 0.080 -3.188 -0.694 1.00 0.00 C ATOM 1830 CD1 TRP A 117 0.739 -3.432 0.461 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.786 -2.045 -0.438 1.00 0.00 C ATOM 1832 NE1 TRP A 117 0.333 -2.511 1.410 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.606 -1.635 0.904 1.00 0.00 C ATOM 1834 CE3 TRP A 117 -1.701 -1.330 -1.233 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -1.309 -0.555 1.439 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 -2.411 -0.243 -0.697 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -2.215 0.144 0.636 1.00 0.00 C ATOM 0 H TRP A 117 0.480 -5.859 -3.600 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.688 -5.616 -0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.283 -4.289 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.014 -3.343 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 117 1.464 -4.217 0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 117 0.685 -2.483 2.367 1.00 0.00 H new ATOM 0 HE3 TRP A 117 -1.858 -1.619 -2.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.154 -0.261 2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 -3.112 0.298 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -2.763 0.981 1.042 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.382 -4.790 -3.622 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.749 -4.425 -4.072 1.00 0.00 C ATOM 1850 C LEU A 118 -4.658 -5.631 -3.849 1.00 0.00 C ATOM 1851 O LEU A 118 -5.837 -5.492 -3.588 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.721 -4.036 -5.556 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.825 -2.799 -5.753 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.474 -2.653 -7.237 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.548 -1.525 -5.276 1.00 0.00 C ATOM 0 H LEU A 118 -1.730 -5.038 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.124 -3.572 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.345 -4.867 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.732 -3.824 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.916 -2.931 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.840 -1.777 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.943 -3.543 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.389 -2.534 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.899 -0.662 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.466 -1.391 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.792 -1.619 -4.218 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.112 -6.819 -3.901 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.946 -8.022 -3.636 1.00 0.00 C ATOM 1869 C ALA A 119 -5.255 -8.035 -2.140 1.00 0.00 C ATOM 1870 O ALA A 119 -6.196 -8.658 -1.690 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.189 -9.291 -4.033 1.00 0.00 C ATOM 0 H ALA A 119 -3.132 -7.004 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.866 -7.990 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.811 -10.163 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.947 -9.253 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.269 -9.362 -3.454 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.499 -7.288 -1.377 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.765 -7.174 0.086 1.00 0.00 C ATOM 1879 C ALA A 120 -5.527 -5.877 0.306 1.00 0.00 C ATOM 1880 O ALA A 120 -5.934 -5.577 1.402 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.454 -7.111 0.867 1.00 0.00 C ATOM 0 H ALA A 120 -3.701 -6.747 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.332 -8.039 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.669 -7.028 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.877 -8.017 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.879 -6.243 0.544 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.713 -5.102 -0.744 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.460 -3.806 -0.627 1.00 0.00 C ATOM 1889 C PHE A 121 -7.759 -3.878 -1.453 1.00 0.00 C ATOM 1890 O PHE A 121 -8.682 -3.117 -1.240 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.577 -2.654 -1.149 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.937 -1.361 -0.451 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.960 -0.551 -0.957 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.243 -0.974 0.702 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.290 0.645 -0.310 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.572 0.222 1.349 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.596 1.032 0.843 1.00 0.00 C ATOM 0 H PHE A 121 -5.376 -5.316 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.710 -3.626 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.526 -2.887 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.710 -2.544 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.495 -0.849 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.453 -1.599 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.080 1.270 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.037 0.520 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.851 1.955 1.342 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.831 -4.786 -2.398 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.060 -4.914 -3.254 1.00 0.00 C ATOM 1909 C ALA A 122 -9.929 -6.070 -2.758 1.00 0.00 C ATOM 1910 O ALA A 122 -11.141 -5.994 -2.820 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.654 -5.139 -4.714 1.00 0.00 C ATOM 0 H ALA A 122 -7.087 -5.449 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.639 -3.993 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.548 -5.231 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.060 -4.294 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.065 -6.053 -4.791 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.363 -7.098 -2.211 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.219 -8.186 -1.663 1.00 0.00 C ATOM 1919 C ALA A 123 -10.488 -7.808 -0.213 1.00 0.00 C ATOM 1920 O ALA A 123 -10.828 -8.626 0.612 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.469 -9.519 -1.720 1.00 0.00 C ATOM 0 H ALA A 123 -8.357 -7.237 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.142 -8.298 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.102 -10.310 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.214 -9.749 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.556 -9.448 -1.129 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.251 -6.560 0.100 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.390 -6.089 1.500 1.00 0.00 C ATOM 1929 C LEU A 124 -11.820 -6.252 2.060 1.00 0.00 C ATOM 1930 O LEU A 124 -11.993 -6.783 3.139 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.002 -4.591 1.576 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.747 -4.386 2.433 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.273 -2.919 2.354 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.045 -4.749 3.894 1.00 0.00 C ATOM 0 H LEU A 124 -9.964 -5.843 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.728 -6.708 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -9.826 -4.207 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.830 -4.019 1.996 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.958 -5.034 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.381 -2.791 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.040 -2.667 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.062 -2.262 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.148 -4.601 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.845 -4.112 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.354 -5.793 3.954 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.807 -5.709 1.347 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.195 -5.718 1.831 1.00 0.00 C ATOM 1948 C PRO A 125 -14.548 -7.086 2.367 1.00 0.00 C ATOM 1949 O PRO A 125 -14.898 -7.233 3.522 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.052 -5.294 0.625 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.073 -4.799 -0.476 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.638 -5.093 0.008 1.00 0.00 C ATOM 0 HA PRO A 125 -14.364 -5.034 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.649 -6.131 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.748 -4.504 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.270 -5.307 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.206 -3.732 -0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.121 -5.767 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.045 -4.180 0.065 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.460 -8.088 1.555 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.793 -9.448 2.039 1.00 0.00 C ATOM 1962 C GLY A 126 -13.536 -10.145 2.564 1.00 0.00 C ATOM 1963 O GLY A 126 -13.130 -11.167 2.056 1.00 0.00 O ATOM 0 H GLY A 126 -14.173 -8.028 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.541 -9.387 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.231 -10.033 1.230 1.00 0.00 H new ATOM 1967 N SER A 127 -12.996 -9.652 3.661 1.00 0.00 N ATOM 1968 CA SER A 127 -11.836 -10.363 4.303 1.00 0.00 C ATOM 1969 C SER A 127 -11.262 -9.568 5.490 1.00 0.00 C ATOM 1970 O SER A 127 -11.409 -9.962 6.630 1.00 0.00 O ATOM 1971 CB SER A 127 -10.733 -10.659 3.277 1.00 0.00 C ATOM 1972 OG SER A 127 -11.016 -11.880 2.606 1.00 0.00 O ATOM 0 H SER A 127 -13.303 -8.801 4.133 1.00 0.00 H new ATOM 0 HA SER A 127 -12.217 -11.309 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.666 -9.844 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.766 -10.723 3.777 1.00 0.00 H new ATOM 0 HG SER A 127 -11.832 -11.779 2.073 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.585 -8.483 5.229 1.00 0.00 N ATOM 1979 CA ALA A 128 -9.959 -7.677 6.337 1.00 0.00 C ATOM 1980 C ALA A 128 -10.504 -6.247 6.326 1.00 0.00 C ATOM 1981 O ALA A 128 -9.756 -5.298 6.263 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.447 -7.634 6.095 1.00 0.00 C ATOM 0 H ALA A 128 -10.433 -8.111 4.291 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.189 -8.134 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.968 -7.055 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.049 -8.649 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.246 -7.167 5.131 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.797 -6.083 6.366 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.388 -4.724 6.314 1.00 0.00 C ATOM 1990 C LYS A 129 -13.625 -4.663 7.208 1.00 0.00 C ATOM 1991 O LYS A 129 -14.026 -5.625 7.833 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.824 -4.486 4.858 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.412 -3.062 4.663 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.348 -2.596 3.179 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.498 -1.324 3.053 1.00 0.00 C ATOM 1996 NZ LYS A 129 -11.195 -1.530 3.748 1.00 0.00 N ATOM 0 H LYS A 129 -12.474 -6.843 6.433 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.669 -3.977 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.970 -4.621 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.569 -5.230 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.448 -3.049 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -12.864 -2.356 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -12.924 -3.387 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.355 -2.406 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.329 -1.088 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -13.026 -0.476 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -10.470 -0.924 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -11.295 -1.283 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -10.910 -2.526 3.663 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.241 -3.542 7.202 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.496 -3.310 7.953 1.00 0.00 C ATOM 2012 C ASP A 130 -16.315 -2.339 7.094 1.00 0.00 C ATOM 2013 O ASP A 130 -16.390 -1.166 7.400 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.179 -2.664 9.305 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.356 -1.394 9.085 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -13.155 -1.513 8.904 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -14.940 -0.323 9.101 1.00 0.00 O ATOM 0 H ASP A 130 -13.916 -2.727 6.682 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.034 -4.239 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -16.103 -2.424 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.627 -3.363 9.933 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.845 -2.840 5.992 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.580 -2.003 5.026 1.00 0.00 C ATOM 2024 C PRO A 131 -19.048 -1.868 5.417 1.00 0.00 C ATOM 2025 O PRO A 131 -19.646 -0.822 5.265 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.481 -2.804 3.709 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.190 -4.279 4.114 1.00 0.00 C ATOM 2028 CD PRO A 131 -16.777 -4.270 5.608 1.00 0.00 C ATOM 0 HA PRO A 131 -17.175 -0.993 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.408 -2.733 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -16.687 -2.411 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.072 -4.901 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.395 -4.698 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.451 -4.878 6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.774 -4.673 5.747 1.00 0.00 H new