USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 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 36 GLN : amide:sc= -1.01 K(o=-2.1,f=-1) USER MOD Set 1.2: A 39 GLN : amide:sc= -1.07 K(o=-2.1,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 130:sc= -3.83! (180deg=-6.39!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= -0.212 (180deg=-1.06) USER MOD Single : A 25 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.5!) USER MOD Single : A 28 SER OG : rot 80:sc= 0.0478 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 150:sc= 0.167 USER MOD Single : A 38 MET CE :methyl 158:sc= -0.866 (180deg=-2.24) USER MOD Single : A 40 THR OG1 : rot -80:sc= -1.56! USER MOD Single : A 46 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.48) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.42) USER MOD Single : A 60 GLN : amide:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 103:sc= -7.63! 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 -63:sc= -0.928! USER MOD Single : A 71 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-12!) USER MOD Single : A 72 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-5.5!) USER MOD Single : A 73 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.18) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 84 THR OG1 : rot -73:sc= -0.473 USER MOD Single : A 88 THR OG1 : rot -59:sc= 0.0512 USER MOD Single : A 89 SER OG : rot -49:sc= 0.334 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.5!) USER MOD Single : A 100 GLN : amide:sc= -7.92! C(o=-7.9!,f=-11!) USER MOD Single : A 102 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.7) USER MOD Single : A 103 ASN : amide:sc= -0.0382 K(o=-0.038,f=-2.3!) USER MOD Single : A 105 GLN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 106 GLN : amide:sc= -2.41 K(o=-2.4,f=-12!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 30:sc= -1.38 USER MOD Single : A 114 GLN : amide:sc= -4.71! C(o=-4.7!,f=-2.2!) USER MOD Single : A 115 GLN : amide:sc= -0.0447 K(o=-0.045,f=-2.3!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -166:sc= -4.6! (180deg=-5!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -3.224 16.818 -5.548 1.00 0.00 N ATOM 271 CA LYS A 18 -3.901 16.139 -6.686 1.00 0.00 C ATOM 272 C LYS A 18 -3.691 14.633 -6.554 1.00 0.00 C ATOM 273 O LYS A 18 -4.439 13.838 -7.087 1.00 0.00 O ATOM 274 CB LYS A 18 -3.303 16.628 -8.008 1.00 0.00 C ATOM 275 CG LYS A 18 -1.800 16.338 -8.031 1.00 0.00 C ATOM 276 CD LYS A 18 -1.136 17.143 -9.153 1.00 0.00 C ATOM 277 CE LYS A 18 -1.848 16.869 -10.482 1.00 0.00 C ATOM 278 NZ LYS A 18 -3.112 17.656 -10.543 1.00 0.00 N ATOM 0 HA LYS A 18 -4.967 16.368 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.792 16.131 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.479 17.697 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.355 16.599 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.628 15.273 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.176 18.207 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.083 16.873 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.200 17.138 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.065 15.805 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.156 18.173 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.926 17.012 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.138 18.333 -9.754 1.00 0.00 H new ATOM 292 N ASP A 19 -2.666 14.241 -5.853 1.00 0.00 N ATOM 293 CA ASP A 19 -2.379 12.792 -5.683 1.00 0.00 C ATOM 294 C ASP A 19 -3.515 12.097 -4.927 1.00 0.00 C ATOM 295 O ASP A 19 -4.376 11.462 -5.512 1.00 0.00 O ATOM 296 CB ASP A 19 -1.086 12.639 -4.881 1.00 0.00 C ATOM 297 CG ASP A 19 -0.798 11.154 -4.651 1.00 0.00 C ATOM 298 OD1 ASP A 19 -0.145 10.561 -5.494 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.237 10.636 -3.638 1.00 0.00 O ATOM 0 H ASP A 19 -2.010 14.868 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.282 12.334 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.257 13.102 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.176 13.155 -3.925 1.00 0.00 H new ATOM 304 N LEU A 20 -3.522 12.199 -3.625 1.00 0.00 N ATOM 305 CA LEU A 20 -4.588 11.527 -2.838 1.00 0.00 C ATOM 306 C LEU A 20 -5.952 12.135 -3.168 1.00 0.00 C ATOM 307 O LEU A 20 -6.937 11.434 -3.274 1.00 0.00 O ATOM 308 CB LEU A 20 -4.288 11.661 -1.339 1.00 0.00 C ATOM 309 CG LEU A 20 -4.339 13.152 -0.895 1.00 0.00 C ATOM 310 CD1 LEU A 20 -5.688 13.471 -0.233 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.222 13.435 0.119 1.00 0.00 C ATOM 0 H LEU A 20 -2.836 12.718 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.612 10.469 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.012 11.081 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.304 11.246 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.210 13.774 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.706 14.518 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.494 13.286 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.823 12.836 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.264 14.480 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.353 12.796 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.254 13.230 -0.339 1.00 0.00 H new ATOM 323 N GLN A 21 -6.027 13.432 -3.322 1.00 0.00 N ATOM 324 CA GLN A 21 -7.341 14.072 -3.637 1.00 0.00 C ATOM 325 C GLN A 21 -8.058 13.282 -4.736 1.00 0.00 C ATOM 326 O GLN A 21 -9.124 12.741 -4.530 1.00 0.00 O ATOM 327 CB GLN A 21 -7.114 15.508 -4.115 1.00 0.00 C ATOM 328 CG GLN A 21 -8.465 16.181 -4.367 1.00 0.00 C ATOM 329 CD GLN A 21 -8.267 17.692 -4.499 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.441 18.424 -3.545 1.00 0.00 O ATOM 331 NE2 GLN A 21 -7.907 18.193 -5.649 1.00 0.00 N ATOM 0 H GLN A 21 -5.239 14.074 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.955 14.078 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.551 16.067 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.519 15.509 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.918 15.782 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.150 15.964 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.761 17.578 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.772 19.199 -5.747 1.00 0.00 H new ATOM 340 N ALA A 22 -7.483 13.224 -5.904 1.00 0.00 N ATOM 341 CA ALA A 22 -8.133 12.483 -7.024 1.00 0.00 C ATOM 342 C ALA A 22 -8.514 11.067 -6.571 1.00 0.00 C ATOM 343 O ALA A 22 -9.518 10.522 -6.991 1.00 0.00 O ATOM 344 CB ALA A 22 -7.163 12.406 -8.207 1.00 0.00 C ATOM 0 H ALA A 22 -6.589 13.658 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.039 13.009 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.633 11.865 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.908 13.414 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.256 11.884 -7.901 1.00 0.00 H new ATOM 350 N ILE A 23 -7.742 10.474 -5.700 1.00 0.00 N ATOM 351 CA ILE A 23 -8.077 9.104 -5.213 1.00 0.00 C ATOM 352 C ILE A 23 -8.994 9.246 -3.993 1.00 0.00 C ATOM 353 O ILE A 23 -9.613 8.300 -3.543 1.00 0.00 O ATOM 354 CB ILE A 23 -6.766 8.382 -4.838 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.090 7.840 -6.112 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.030 7.227 -3.854 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.972 8.956 -7.152 1.00 0.00 C ATOM 0 H ILE A 23 -6.894 10.879 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.588 8.521 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.107 9.100 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.101 7.449 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.671 7.012 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.088 6.737 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.483 7.621 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.706 6.505 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.493 8.567 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.966 9.327 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.373 9.770 -6.745 1.00 0.00 H new ATOM 369 N LYS A 24 -9.120 10.441 -3.482 1.00 0.00 N ATOM 370 CA LYS A 24 -10.014 10.684 -2.317 1.00 0.00 C ATOM 371 C LYS A 24 -11.290 11.384 -2.796 1.00 0.00 C ATOM 372 O LYS A 24 -12.306 11.394 -2.109 1.00 0.00 O ATOM 373 CB LYS A 24 -9.298 11.563 -1.285 1.00 0.00 C ATOM 374 CG LYS A 24 -10.023 11.481 0.062 1.00 0.00 C ATOM 375 CD LYS A 24 -9.570 12.636 0.959 1.00 0.00 C ATOM 376 CE LYS A 24 -10.133 12.443 2.367 1.00 0.00 C ATOM 377 NZ LYS A 24 -9.693 11.123 2.901 1.00 0.00 N ATOM 0 H LYS A 24 -8.635 11.269 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.272 9.732 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.264 11.237 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.271 12.596 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.101 11.527 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.809 10.527 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.481 12.677 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.912 13.585 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.789 13.245 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.222 12.494 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.692 11.152 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.346 10.382 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.734 10.913 2.559 1.00 0.00 H new ATOM 391 N GLN A 25 -11.318 11.879 -4.000 1.00 0.00 N ATOM 392 CA GLN A 25 -12.583 12.480 -4.493 1.00 0.00 C ATOM 393 C GLN A 25 -13.374 11.329 -5.091 1.00 0.00 C ATOM 394 O GLN A 25 -14.592 11.307 -5.128 1.00 0.00 O ATOM 395 CB GLN A 25 -12.276 13.511 -5.583 1.00 0.00 C ATOM 396 CG GLN A 25 -11.688 14.771 -4.944 1.00 0.00 C ATOM 397 CD GLN A 25 -12.778 15.501 -4.156 1.00 0.00 C ATOM 398 OE1 GLN A 25 -13.946 15.190 -4.280 1.00 0.00 O ATOM 399 NE2 GLN A 25 -12.443 16.466 -3.344 1.00 0.00 N ATOM 0 H GLN A 25 -10.535 11.894 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.131 12.984 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.573 13.095 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.185 13.759 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.863 14.505 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.281 15.426 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.463 16.727 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.162 16.959 -2.814 1.00 0.00 H new ATOM 408 N GLU A 26 -12.636 10.354 -5.567 1.00 0.00 N ATOM 409 CA GLU A 26 -13.247 9.160 -6.191 1.00 0.00 C ATOM 410 C GLU A 26 -13.468 8.060 -5.138 1.00 0.00 C ATOM 411 O GLU A 26 -14.321 7.193 -5.316 1.00 0.00 O ATOM 412 CB GLU A 26 -12.312 8.652 -7.297 1.00 0.00 C ATOM 413 CG GLU A 26 -12.568 9.423 -8.598 1.00 0.00 C ATOM 414 CD GLU A 26 -11.607 8.932 -9.682 1.00 0.00 C ATOM 415 OE1 GLU A 26 -10.473 9.383 -9.688 1.00 0.00 O ATOM 416 OE2 GLU A 26 -12.020 8.116 -10.488 1.00 0.00 O ATOM 0 H GLU A 26 -11.616 10.345 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.216 9.423 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.273 8.775 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.473 7.586 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.599 9.280 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.431 10.492 -8.433 1.00 0.00 H new ATOM 423 N VAL A 27 -12.801 8.096 -3.995 1.00 0.00 N ATOM 424 CA VAL A 27 -13.129 7.045 -2.999 1.00 0.00 C ATOM 425 C VAL A 27 -14.577 7.313 -2.653 1.00 0.00 C ATOM 426 O VAL A 27 -15.408 6.435 -2.526 1.00 0.00 O ATOM 427 CB VAL A 27 -12.301 7.179 -1.715 1.00 0.00 C ATOM 428 CG1 VAL A 27 -12.522 8.559 -1.106 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.742 6.102 -0.702 1.00 0.00 C ATOM 0 H VAL A 27 -12.085 8.773 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.928 6.052 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.245 7.049 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.933 8.653 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.213 9.325 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.578 8.688 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.153 6.198 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.798 6.234 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.586 5.113 -1.132 1.00 0.00 H new ATOM 439 N SER A 28 -14.863 8.611 -2.562 1.00 0.00 N ATOM 440 CA SER A 28 -16.262 9.048 -2.290 1.00 0.00 C ATOM 441 C SER A 28 -17.126 8.338 -3.329 1.00 0.00 C ATOM 442 O SER A 28 -17.756 7.360 -3.020 1.00 0.00 O ATOM 443 CB SER A 28 -16.386 10.566 -2.438 1.00 0.00 C ATOM 444 OG SER A 28 -15.468 11.201 -1.559 1.00 0.00 O ATOM 0 H SER A 28 -14.184 9.366 -2.666 1.00 0.00 H new ATOM 0 HA SER A 28 -16.570 8.801 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.184 10.860 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.404 10.883 -2.210 1.00 0.00 H new ATOM 0 HG SER A 28 -14.573 11.192 -1.958 1.00 0.00 H new ATOM 450 N GLN A 29 -17.124 8.844 -4.554 1.00 0.00 N ATOM 451 CA GLN A 29 -17.900 8.233 -5.703 1.00 0.00 C ATOM 452 C GLN A 29 -18.562 6.900 -5.343 1.00 0.00 C ATOM 453 O GLN A 29 -19.742 6.695 -5.549 1.00 0.00 O ATOM 454 CB GLN A 29 -16.913 7.928 -6.831 1.00 0.00 C ATOM 455 CG GLN A 29 -17.683 7.507 -8.086 1.00 0.00 C ATOM 456 CD GLN A 29 -16.705 7.330 -9.248 1.00 0.00 C ATOM 457 OE1 GLN A 29 -16.520 6.234 -9.740 1.00 0.00 O ATOM 458 NE2 GLN A 29 -16.067 8.369 -9.712 1.00 0.00 N ATOM 0 H GLN A 29 -16.600 9.681 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.677 8.947 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.304 8.807 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.231 7.134 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.218 6.575 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.430 8.260 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.222 9.289 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.413 8.262 -10.487 1.00 0.00 H new ATOM 467 N ALA A 30 -17.781 5.986 -4.811 1.00 0.00 N ATOM 468 CA ALA A 30 -18.331 4.639 -4.434 1.00 0.00 C ATOM 469 C ALA A 30 -18.831 4.626 -2.988 1.00 0.00 C ATOM 470 O ALA A 30 -19.147 5.639 -2.401 1.00 0.00 O ATOM 471 CB ALA A 30 -17.227 3.591 -4.573 1.00 0.00 C ATOM 0 H ALA A 30 -16.787 6.114 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.167 4.417 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.619 2.611 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.875 3.568 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.398 3.846 -3.913 1.00 0.00 H new ATOM 477 N ALA A 31 -18.894 3.458 -2.419 1.00 0.00 N ATOM 478 CA ALA A 31 -19.351 3.311 -1.008 1.00 0.00 C ATOM 479 C ALA A 31 -18.112 3.453 -0.104 1.00 0.00 C ATOM 480 O ALA A 31 -17.004 3.443 -0.602 1.00 0.00 O ATOM 481 CB ALA A 31 -20.003 1.916 -0.854 1.00 0.00 C ATOM 0 H ALA A 31 -18.644 2.582 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.085 4.067 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.346 1.786 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.852 1.834 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.271 1.144 -1.093 1.00 0.00 H new ATOM 487 N PRO A 32 -18.312 3.583 1.189 1.00 0.00 N ATOM 488 CA PRO A 32 -17.179 3.725 2.118 1.00 0.00 C ATOM 489 C PRO A 32 -16.166 2.596 1.870 1.00 0.00 C ATOM 490 O PRO A 32 -16.211 1.555 2.497 1.00 0.00 O ATOM 491 CB PRO A 32 -17.810 3.652 3.529 1.00 0.00 C ATOM 492 CG PRO A 32 -19.357 3.620 3.344 1.00 0.00 C ATOM 493 CD PRO A 32 -19.647 3.594 1.825 1.00 0.00 C ATOM 0 HA PRO A 32 -16.629 4.657 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.468 2.762 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.512 4.513 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.782 2.742 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.816 4.494 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.225 2.713 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.225 4.465 1.517 1.00 0.00 H new ATOM 501 N GLY A 33 -15.258 2.797 0.944 1.00 0.00 N ATOM 502 CA GLY A 33 -14.240 1.746 0.627 1.00 0.00 C ATOM 503 C GLY A 33 -14.634 1.042 -0.672 1.00 0.00 C ATOM 504 O GLY A 33 -14.530 1.592 -1.751 1.00 0.00 O ATOM 0 H GLY A 33 -15.179 3.650 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.253 2.197 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.178 1.025 1.442 1.00 0.00 H new ATOM 508 N SER A 34 -15.113 -0.162 -0.564 1.00 0.00 N ATOM 509 CA SER A 34 -15.556 -0.923 -1.765 1.00 0.00 C ATOM 510 C SER A 34 -14.367 -1.125 -2.734 1.00 0.00 C ATOM 511 O SER A 34 -13.320 -0.545 -2.530 1.00 0.00 O ATOM 512 CB SER A 34 -16.685 -0.125 -2.436 1.00 0.00 C ATOM 513 OG SER A 34 -16.279 0.303 -3.731 1.00 0.00 O ATOM 0 H SER A 34 -15.219 -0.661 0.319 1.00 0.00 H new ATOM 0 HA SER A 34 -15.920 -1.911 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.581 -0.741 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.944 0.739 -1.824 1.00 0.00 H new ATOM 0 HG SER A 34 -17.063 0.364 -4.316 1.00 0.00 H new ATOM 519 N PRO A 35 -14.552 -1.935 -3.765 1.00 0.00 N ATOM 520 CA PRO A 35 -13.478 -2.193 -4.755 1.00 0.00 C ATOM 521 C PRO A 35 -13.127 -0.921 -5.558 1.00 0.00 C ATOM 522 O PRO A 35 -12.239 -0.942 -6.387 1.00 0.00 O ATOM 523 CB PRO A 35 -14.052 -3.290 -5.687 1.00 0.00 C ATOM 524 CG PRO A 35 -15.530 -3.536 -5.268 1.00 0.00 C ATOM 525 CD PRO A 35 -15.817 -2.662 -4.026 1.00 0.00 C ATOM 0 HA PRO A 35 -12.552 -2.502 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.997 -2.975 -6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.471 -4.208 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.207 -3.277 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.693 -4.589 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.638 -1.970 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.104 -3.274 -3.171 1.00 0.00 H new ATOM 533 N GLN A 36 -13.800 0.178 -5.336 1.00 0.00 N ATOM 534 CA GLN A 36 -13.465 1.414 -6.117 1.00 0.00 C ATOM 535 C GLN A 36 -12.241 2.100 -5.506 1.00 0.00 C ATOM 536 O GLN A 36 -11.392 2.614 -6.206 1.00 0.00 O ATOM 537 CB GLN A 36 -14.644 2.378 -6.097 1.00 0.00 C ATOM 538 CG GLN A 36 -14.441 3.451 -7.172 1.00 0.00 C ATOM 539 CD GLN A 36 -14.705 2.846 -8.552 1.00 0.00 C ATOM 540 OE1 GLN A 36 -15.677 2.143 -8.743 1.00 0.00 O ATOM 541 NE2 GLN A 36 -13.874 3.090 -9.528 1.00 0.00 N ATOM 0 H GLN A 36 -14.557 0.277 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.247 1.130 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.573 1.838 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.731 2.843 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.115 4.290 -6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.425 3.843 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.058 3.680 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.041 2.690 -10.452 1.00 0.00 H new ATOM 550 N PHE A 37 -12.116 2.058 -4.211 1.00 0.00 N ATOM 551 CA PHE A 37 -10.928 2.642 -3.539 1.00 0.00 C ATOM 552 C PHE A 37 -9.718 1.795 -3.911 1.00 0.00 C ATOM 553 O PHE A 37 -8.602 2.265 -3.863 1.00 0.00 O ATOM 554 CB PHE A 37 -11.163 2.646 -2.032 1.00 0.00 C ATOM 555 CG PHE A 37 -9.940 3.148 -1.290 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.439 4.433 -1.539 1.00 0.00 C ATOM 557 CD2 PHE A 37 -9.312 2.327 -0.340 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.315 4.894 -0.843 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.190 2.790 0.354 1.00 0.00 C ATOM 560 CZ PHE A 37 -7.690 4.072 0.104 1.00 0.00 C ATOM 0 H PHE A 37 -12.799 1.637 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.754 3.671 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.020 3.277 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -11.408 1.638 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.920 5.068 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.696 1.337 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.929 5.884 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.709 2.157 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.823 4.428 0.640 1.00 0.00 H new ATOM 570 N MET A 38 -9.907 0.597 -4.370 1.00 0.00 N ATOM 571 CA MET A 38 -8.722 -0.172 -4.833 1.00 0.00 C ATOM 572 C MET A 38 -8.460 0.251 -6.278 1.00 0.00 C ATOM 573 O MET A 38 -7.344 0.522 -6.665 1.00 0.00 O ATOM 574 CB MET A 38 -8.953 -1.681 -4.787 1.00 0.00 C ATOM 575 CG MET A 38 -7.749 -2.386 -5.458 1.00 0.00 C ATOM 576 SD MET A 38 -8.139 -2.726 -7.197 1.00 0.00 S ATOM 577 CE MET A 38 -6.724 -3.793 -7.564 1.00 0.00 C ATOM 0 H MET A 38 -10.807 0.123 -4.445 1.00 0.00 H new ATOM 0 HA MET A 38 -7.878 0.039 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.060 -2.016 -3.755 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.878 -1.938 -5.304 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.861 -1.757 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.522 -3.316 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.954 -4.418 -8.427 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.852 -3.178 -7.784 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.513 -4.427 -6.703 1.00 0.00 H new ATOM 587 N GLN A 39 -9.494 0.333 -7.065 1.00 0.00 N ATOM 588 CA GLN A 39 -9.337 0.757 -8.485 1.00 0.00 C ATOM 589 C GLN A 39 -8.489 2.026 -8.541 1.00 0.00 C ATOM 590 O GLN A 39 -7.602 2.180 -9.355 1.00 0.00 O ATOM 591 CB GLN A 39 -10.724 1.071 -9.052 1.00 0.00 C ATOM 592 CG GLN A 39 -10.625 1.255 -10.567 1.00 0.00 C ATOM 593 CD GLN A 39 -12.029 1.387 -11.158 1.00 0.00 C ATOM 594 OE1 GLN A 39 -12.316 2.329 -11.868 1.00 0.00 O ATOM 595 NE2 GLN A 39 -12.923 0.474 -10.893 1.00 0.00 N ATOM 0 H GLN A 39 -10.452 0.123 -6.783 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.857 -0.035 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.416 0.262 -8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.121 1.975 -8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.037 2.143 -10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.109 0.405 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.682 -0.318 -10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.863 0.552 -11.282 1.00 0.00 H new ATOM 604 N THR A 40 -8.785 2.942 -7.667 1.00 0.00 N ATOM 605 CA THR A 40 -8.050 4.227 -7.611 1.00 0.00 C ATOM 606 C THR A 40 -6.702 4.013 -6.909 1.00 0.00 C ATOM 607 O THR A 40 -5.717 4.610 -7.297 1.00 0.00 O ATOM 608 CB THR A 40 -8.939 5.239 -6.869 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.088 4.561 -6.386 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.394 6.369 -7.789 1.00 0.00 C ATOM 0 H THR A 40 -9.526 2.849 -6.972 1.00 0.00 H new ATOM 0 HA THR A 40 -7.834 4.612 -8.607 1.00 0.00 H new ATOM 0 HB THR A 40 -8.359 5.672 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.735 4.455 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.020 7.064 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.522 6.897 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.965 5.954 -8.620 1.00 0.00 H new ATOM 618 N ILE A 41 -6.600 3.159 -5.941 1.00 0.00 N ATOM 619 CA ILE A 41 -5.253 2.941 -5.334 1.00 0.00 C ATOM 620 C ILE A 41 -4.489 1.992 -6.263 1.00 0.00 C ATOM 621 O ILE A 41 -3.307 1.762 -6.111 1.00 0.00 O ATOM 622 CB ILE A 41 -5.399 2.347 -3.931 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.173 3.341 -3.030 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.015 2.046 -3.343 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.219 4.376 -2.406 1.00 0.00 C ATOM 0 H ILE A 41 -7.364 2.611 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.709 3.880 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.957 1.412 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.936 3.852 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.690 2.795 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.128 1.624 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.495 1.332 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.437 2.968 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.787 5.062 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.472 3.863 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.722 4.936 -3.198 1.00 0.00 H new ATOM 637 N ARG A 42 -5.177 1.456 -7.241 1.00 0.00 N ATOM 638 CA ARG A 42 -4.535 0.528 -8.221 1.00 0.00 C ATOM 639 C ARG A 42 -3.853 1.333 -9.329 1.00 0.00 C ATOM 640 O ARG A 42 -2.861 0.913 -9.892 1.00 0.00 O ATOM 641 CB ARG A 42 -5.613 -0.343 -8.862 1.00 0.00 C ATOM 642 CG ARG A 42 -4.983 -1.373 -9.809 1.00 0.00 C ATOM 643 CD ARG A 42 -6.088 -2.126 -10.551 1.00 0.00 C ATOM 644 NE ARG A 42 -5.487 -3.252 -11.320 1.00 0.00 N ATOM 645 CZ ARG A 42 -6.249 -4.202 -11.790 1.00 0.00 C ATOM 646 NH1 ARG A 42 -7.538 -4.166 -11.586 1.00 0.00 N ATOM 647 NH2 ARG A 42 -5.722 -5.188 -12.463 1.00 0.00 N ATOM 0 H ARG A 42 -6.170 1.625 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.800 -0.086 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.183 -0.855 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.315 0.284 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.327 -0.874 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.367 -2.073 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.824 -2.506 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.615 -1.450 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.480 -3.280 -11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.950 -3.396 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.133 -4.908 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.715 -5.216 -12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.317 -5.930 -12.830 1.00 0.00 H new ATOM 661 N LEU A 43 -4.378 2.485 -9.653 1.00 0.00 N ATOM 662 CA LEU A 43 -3.775 3.314 -10.723 1.00 0.00 C ATOM 663 C LEU A 43 -2.788 4.280 -10.073 1.00 0.00 C ATOM 664 O LEU A 43 -1.935 4.850 -10.718 1.00 0.00 O ATOM 665 CB LEU A 43 -4.912 4.074 -11.424 1.00 0.00 C ATOM 666 CG LEU A 43 -4.362 5.195 -12.303 1.00 0.00 C ATOM 667 CD1 LEU A 43 -3.427 4.613 -13.369 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.527 5.910 -12.992 1.00 0.00 C ATOM 0 H LEU A 43 -5.207 2.886 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.243 2.710 -11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.495 3.383 -12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.589 4.491 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.806 5.898 -11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.039 5.419 -13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.598 4.098 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.978 3.908 -13.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.141 6.712 -13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.078 5.199 -13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.193 6.329 -12.238 1.00 0.00 H new ATOM 680 N ALA A 44 -2.876 4.445 -8.784 1.00 0.00 N ATOM 681 CA ALA A 44 -1.920 5.360 -8.084 1.00 0.00 C ATOM 682 C ALA A 44 -0.721 4.548 -7.601 1.00 0.00 C ATOM 683 O ALA A 44 0.399 5.020 -7.614 1.00 0.00 O ATOM 684 CB ALA A 44 -2.609 6.039 -6.899 1.00 0.00 C ATOM 0 H ALA A 44 -3.563 3.990 -8.183 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.584 6.134 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.903 6.702 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.460 6.619 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.956 5.281 -6.197 1.00 0.00 H new ATOM 690 N VAL A 45 -0.928 3.333 -7.191 1.00 0.00 N ATOM 691 CA VAL A 45 0.218 2.509 -6.732 1.00 0.00 C ATOM 692 C VAL A 45 0.932 1.928 -7.952 1.00 0.00 C ATOM 693 O VAL A 45 2.123 1.694 -7.934 1.00 0.00 O ATOM 694 CB VAL A 45 -0.300 1.376 -5.839 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.803 0.340 -5.590 1.00 0.00 C ATOM 696 CG2 VAL A 45 -0.746 1.971 -4.504 1.00 0.00 C ATOM 0 H VAL A 45 -1.839 2.875 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 45 0.916 3.122 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.136 0.881 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.417 -0.457 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.129 -0.081 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.648 0.820 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.117 1.176 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.100 2.463 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.539 2.699 -4.677 1.00 0.00 H new ATOM 706 N GLN A 46 0.223 1.710 -9.022 1.00 0.00 N ATOM 707 CA GLN A 46 0.869 1.147 -10.237 1.00 0.00 C ATOM 708 C GLN A 46 1.531 2.264 -11.041 1.00 0.00 C ATOM 709 O GLN A 46 2.437 2.029 -11.815 1.00 0.00 O ATOM 710 CB GLN A 46 -0.200 0.483 -11.106 1.00 0.00 C ATOM 711 CG GLN A 46 0.468 -0.353 -12.199 1.00 0.00 C ATOM 712 CD GLN A 46 1.137 -1.577 -11.571 1.00 0.00 C ATOM 713 OE1 GLN A 46 2.323 -1.568 -11.307 1.00 0.00 O ATOM 714 NE2 GLN A 46 0.421 -2.639 -11.319 1.00 0.00 N ATOM 0 H GLN A 46 -0.776 1.897 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 46 1.623 0.419 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.840 -0.150 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.840 1.242 -11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.273 -0.668 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.208 0.247 -12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.575 -2.647 -11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.857 -3.461 -10.901 1.00 0.00 H new ATOM 723 N GLN A 47 1.072 3.479 -10.892 1.00 0.00 N ATOM 724 CA GLN A 47 1.664 4.593 -11.686 1.00 0.00 C ATOM 725 C GLN A 47 2.877 5.202 -10.986 1.00 0.00 C ATOM 726 O GLN A 47 3.988 5.136 -11.472 1.00 0.00 O ATOM 727 CB GLN A 47 0.607 5.680 -11.881 1.00 0.00 C ATOM 728 CG GLN A 47 1.137 6.739 -12.848 1.00 0.00 C ATOM 729 CD GLN A 47 0.068 7.810 -13.072 1.00 0.00 C ATOM 730 OE1 GLN A 47 -1.106 7.563 -12.880 1.00 0.00 O ATOM 731 NE2 GLN A 47 0.427 8.999 -13.473 1.00 0.00 N ATOM 0 H GLN A 47 0.318 3.746 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 47 1.991 4.190 -12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.312 5.243 -12.272 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.360 6.138 -10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.042 7.193 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.407 6.276 -13.797 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.412 9.207 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.278 9.720 -13.625 1.00 0.00 H new ATOM 740 N PHE A 48 2.661 5.832 -9.865 1.00 0.00 N ATOM 741 CA PHE A 48 3.785 6.493 -9.144 1.00 0.00 C ATOM 742 C PHE A 48 4.491 5.513 -8.206 1.00 0.00 C ATOM 743 O PHE A 48 5.454 5.882 -7.566 1.00 0.00 O ATOM 744 CB PHE A 48 3.230 7.660 -8.324 1.00 0.00 C ATOM 745 CG PHE A 48 4.358 8.355 -7.599 1.00 0.00 C ATOM 746 CD1 PHE A 48 5.109 9.340 -8.252 1.00 0.00 C ATOM 747 CD2 PHE A 48 4.651 8.016 -6.272 1.00 0.00 C ATOM 748 CE1 PHE A 48 6.152 9.986 -7.579 1.00 0.00 C ATOM 749 CE2 PHE A 48 5.694 8.662 -5.599 1.00 0.00 C ATOM 750 CZ PHE A 48 6.445 9.647 -6.252 1.00 0.00 C ATOM 0 H PHE A 48 1.750 5.918 -9.415 1.00 0.00 H new ATOM 0 HA PHE A 48 4.508 6.848 -9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.716 8.365 -8.978 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.494 7.296 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.883 9.601 -9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.072 7.256 -5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.731 10.746 -8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.920 8.401 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.250 10.145 -5.732 1.00 0.00 H new ATOM 760 N ASP A 49 4.044 4.271 -8.132 1.00 0.00 N ATOM 761 CA ASP A 49 4.717 3.264 -7.230 1.00 0.00 C ATOM 762 C ASP A 49 5.380 3.950 -6.015 1.00 0.00 C ATOM 763 O ASP A 49 6.586 4.099 -5.991 1.00 0.00 O ATOM 764 CB ASP A 49 5.802 2.533 -8.021 1.00 0.00 C ATOM 765 CG ASP A 49 5.200 1.950 -9.300 1.00 0.00 C ATOM 766 OD1 ASP A 49 4.667 2.717 -10.084 1.00 0.00 O ATOM 767 OD2 ASP A 49 5.283 0.745 -9.474 1.00 0.00 O ATOM 0 H ASP A 49 3.245 3.913 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 49 3.957 2.570 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.611 3.220 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.234 1.737 -7.415 1.00 0.00 H new ATOM 772 N PRO A 50 4.589 4.367 -5.053 1.00 0.00 N ATOM 773 CA PRO A 50 5.120 5.057 -3.860 1.00 0.00 C ATOM 774 C PRO A 50 6.109 4.146 -3.116 1.00 0.00 C ATOM 775 O PRO A 50 5.999 2.936 -3.154 1.00 0.00 O ATOM 776 CB PRO A 50 3.872 5.374 -3.000 1.00 0.00 C ATOM 777 CG PRO A 50 2.621 4.957 -3.827 1.00 0.00 C ATOM 778 CD PRO A 50 3.124 4.187 -5.066 1.00 0.00 C ATOM 0 HA PRO A 50 5.673 5.963 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.907 4.830 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.834 6.435 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.957 4.332 -3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.049 5.835 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.855 3.132 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.685 4.582 -5.982 1.00 0.00 H new ATOM 786 N THR A 51 7.067 4.718 -2.434 1.00 0.00 N ATOM 787 CA THR A 51 8.045 3.877 -1.687 1.00 0.00 C ATOM 788 C THR A 51 7.326 3.249 -0.494 1.00 0.00 C ATOM 789 O THR A 51 6.127 3.386 -0.352 1.00 0.00 O ATOM 790 CB THR A 51 9.210 4.745 -1.203 1.00 0.00 C ATOM 791 OG1 THR A 51 8.719 5.743 -0.318 1.00 0.00 O ATOM 792 CG2 THR A 51 9.884 5.412 -2.403 1.00 0.00 C ATOM 0 H THR A 51 7.213 5.725 -2.363 1.00 0.00 H new ATOM 0 HA THR A 51 8.442 3.095 -2.334 1.00 0.00 H new ATOM 0 HB THR A 51 9.936 4.122 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.464 6.298 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.713 6.030 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.260 4.646 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.160 6.036 -2.926 1.00 0.00 H new ATOM 800 N ALA A 52 8.024 2.555 0.365 1.00 0.00 N ATOM 801 CA ALA A 52 7.332 1.931 1.526 1.00 0.00 C ATOM 802 C ALA A 52 7.032 3.017 2.565 1.00 0.00 C ATOM 803 O ALA A 52 6.168 2.880 3.408 1.00 0.00 O ATOM 804 CB ALA A 52 8.237 0.857 2.132 1.00 0.00 C ATOM 0 H ALA A 52 9.030 2.395 0.314 1.00 0.00 H new ATOM 0 HA ALA A 52 6.398 1.469 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.735 0.396 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.451 0.096 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.170 1.312 2.464 1.00 0.00 H new ATOM 810 N LYS A 53 7.756 4.100 2.500 1.00 0.00 N ATOM 811 CA LYS A 53 7.544 5.218 3.461 1.00 0.00 C ATOM 812 C LYS A 53 6.361 6.070 2.977 1.00 0.00 C ATOM 813 O LYS A 53 5.553 6.544 3.758 1.00 0.00 O ATOM 814 CB LYS A 53 8.812 6.068 3.520 1.00 0.00 C ATOM 815 CG LYS A 53 10.039 5.157 3.598 1.00 0.00 C ATOM 816 CD LYS A 53 11.304 6.012 3.735 1.00 0.00 C ATOM 817 CE LYS A 53 12.462 5.143 4.230 1.00 0.00 C ATOM 818 NZ LYS A 53 13.751 5.851 3.992 1.00 0.00 N ATOM 0 H LYS A 53 8.494 4.259 1.814 1.00 0.00 H new ATOM 0 HA LYS A 53 7.326 4.829 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.876 6.706 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.780 6.727 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.950 4.482 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.102 4.537 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.558 6.460 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.127 6.831 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.343 4.930 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.460 4.185 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.539 5.261 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.865 6.033 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.751 6.754 4.507 1.00 0.00 H new ATOM 832 N ASP A 54 6.211 6.200 1.685 1.00 0.00 N ATOM 833 CA ASP A 54 5.046 6.944 1.127 1.00 0.00 C ATOM 834 C ASP A 54 3.828 6.054 1.303 1.00 0.00 C ATOM 835 O ASP A 54 2.706 6.520 1.301 1.00 0.00 O ATOM 836 CB ASP A 54 5.257 7.251 -0.358 1.00 0.00 C ATOM 837 CG ASP A 54 4.131 8.160 -0.854 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.201 8.385 -0.097 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.219 8.617 -1.982 1.00 0.00 O ATOM 0 H ASP A 54 6.851 5.819 0.988 1.00 0.00 H new ATOM 0 HA ASP A 54 4.920 7.896 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.222 7.735 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.272 6.325 -0.933 1.00 0.00 H new ATOM 844 N LEU A 55 4.027 4.791 1.521 1.00 0.00 N ATOM 845 CA LEU A 55 2.851 3.923 1.770 1.00 0.00 C ATOM 846 C LEU A 55 2.287 4.357 3.122 1.00 0.00 C ATOM 847 O LEU A 55 1.113 4.636 3.268 1.00 0.00 O ATOM 848 CB LEU A 55 3.277 2.449 1.819 1.00 0.00 C ATOM 849 CG LEU A 55 2.137 1.584 2.376 1.00 0.00 C ATOM 850 CD1 LEU A 55 0.832 1.893 1.632 1.00 0.00 C ATOM 851 CD2 LEU A 55 2.495 0.106 2.191 1.00 0.00 C ATOM 0 H LEU A 55 4.935 4.327 1.538 1.00 0.00 H new ATOM 0 HA LEU A 55 2.109 4.019 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.547 2.108 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.164 2.340 2.443 1.00 0.00 H new ATOM 0 HG LEU A 55 2.000 1.803 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.029 1.275 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.580 2.945 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.959 1.679 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.690 -0.515 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.632 -0.105 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.418 -0.115 2.727 1.00 0.00 H new ATOM 863 N GLN A 56 3.137 4.425 4.111 1.00 0.00 N ATOM 864 CA GLN A 56 2.696 4.845 5.469 1.00 0.00 C ATOM 865 C GLN A 56 1.898 6.152 5.408 1.00 0.00 C ATOM 866 O GLN A 56 0.976 6.343 6.167 1.00 0.00 O ATOM 867 CB GLN A 56 3.928 5.055 6.353 1.00 0.00 C ATOM 868 CG GLN A 56 4.758 3.770 6.393 1.00 0.00 C ATOM 869 CD GLN A 56 4.018 2.709 7.210 1.00 0.00 C ATOM 870 OE1 GLN A 56 3.809 2.874 8.395 1.00 0.00 O ATOM 871 NE2 GLN A 56 3.611 1.617 6.622 1.00 0.00 N ATOM 0 H GLN A 56 4.130 4.204 4.033 1.00 0.00 H new ATOM 0 HA GLN A 56 2.056 4.065 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.530 5.877 5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.621 5.333 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.934 3.407 5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.734 3.969 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.786 1.478 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.118 0.903 7.158 1.00 0.00 H new ATOM 880 N ASP A 57 2.236 7.058 4.524 1.00 0.00 N ATOM 881 CA ASP A 57 1.474 8.351 4.461 1.00 0.00 C ATOM 882 C ASP A 57 0.194 8.196 3.630 1.00 0.00 C ATOM 883 O ASP A 57 -0.804 8.827 3.921 1.00 0.00 O ATOM 884 CB ASP A 57 2.350 9.455 3.867 1.00 0.00 C ATOM 885 CG ASP A 57 1.530 10.739 3.727 1.00 0.00 C ATOM 886 OD1 ASP A 57 1.447 11.474 4.697 1.00 0.00 O ATOM 887 OD2 ASP A 57 0.999 10.965 2.652 1.00 0.00 O ATOM 0 H ASP A 57 2.996 6.964 3.850 1.00 0.00 H new ATOM 0 HA ASP A 57 1.193 8.626 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.215 9.631 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.731 9.147 2.894 1.00 0.00 H new ATOM 892 N LEU A 58 0.167 7.344 2.648 1.00 0.00 N ATOM 893 CA LEU A 58 -1.107 7.164 1.887 1.00 0.00 C ATOM 894 C LEU A 58 -1.999 6.239 2.709 1.00 0.00 C ATOM 895 O LEU A 58 -3.190 6.166 2.503 1.00 0.00 O ATOM 896 CB LEU A 58 -0.839 6.572 0.500 1.00 0.00 C ATOM 897 CG LEU A 58 0.148 7.464 -0.267 1.00 0.00 C ATOM 898 CD1 LEU A 58 0.763 6.671 -1.423 1.00 0.00 C ATOM 899 CD2 LEU A 58 -0.581 8.690 -0.829 1.00 0.00 C ATOM 0 H LEU A 58 0.953 6.772 2.339 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.595 8.126 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.433 5.565 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.773 6.487 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 58 0.933 7.792 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.463 7.305 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.290 5.803 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.026 6.340 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.127 9.317 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.371 8.365 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.018 9.261 -0.010 1.00 0.00 H new ATOM 911 N LEU A 59 -1.436 5.572 3.670 1.00 0.00 N ATOM 912 CA LEU A 59 -2.251 4.690 4.555 1.00 0.00 C ATOM 913 C LEU A 59 -2.648 5.490 5.803 1.00 0.00 C ATOM 914 O LEU A 59 -3.798 5.836 5.985 1.00 0.00 O ATOM 915 CB LEU A 59 -1.426 3.461 4.961 1.00 0.00 C ATOM 916 CG LEU A 59 -2.346 2.373 5.550 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.966 1.534 4.423 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.532 1.449 6.463 1.00 0.00 C ATOM 0 H LEU A 59 -0.439 5.597 3.886 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.145 4.352 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.895 3.068 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.672 3.746 5.695 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.139 2.858 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.613 0.769 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.552 2.180 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.174 1.057 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.184 0.681 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.736 0.977 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.096 2.032 7.274 1.00 0.00 H new ATOM 930 N GLN A 60 -1.710 5.794 6.652 1.00 0.00 N ATOM 931 CA GLN A 60 -2.023 6.574 7.889 1.00 0.00 C ATOM 932 C GLN A 60 -2.944 7.757 7.579 1.00 0.00 C ATOM 933 O GLN A 60 -3.634 8.260 8.443 1.00 0.00 O ATOM 934 CB GLN A 60 -0.716 7.127 8.447 1.00 0.00 C ATOM 935 CG GLN A 60 0.137 5.971 9.006 1.00 0.00 C ATOM 936 CD GLN A 60 -0.289 5.657 10.444 1.00 0.00 C ATOM 937 OE1 GLN A 60 0.228 6.231 11.383 1.00 0.00 O ATOM 938 NE2 GLN A 60 -1.218 4.765 10.657 1.00 0.00 N ATOM 0 H GLN A 60 -0.729 5.535 6.545 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.521 5.916 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.168 7.652 7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.923 7.853 9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.020 5.086 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.193 6.241 8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.652 4.283 9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.510 4.550 11.610 1.00 0.00 H new ATOM 947 N TYR A 61 -2.938 8.226 6.355 1.00 0.00 N ATOM 948 CA TYR A 61 -3.790 9.399 5.994 1.00 0.00 C ATOM 949 C TYR A 61 -5.135 8.927 5.446 1.00 0.00 C ATOM 950 O TYR A 61 -6.180 9.313 5.931 1.00 0.00 O ATOM 951 CB TYR A 61 -3.074 10.229 4.926 1.00 0.00 C ATOM 952 CG TYR A 61 -3.811 11.530 4.718 1.00 0.00 C ATOM 953 CD1 TYR A 61 -4.882 11.592 3.819 1.00 0.00 C ATOM 954 CD2 TYR A 61 -3.423 12.674 5.425 1.00 0.00 C ATOM 955 CE1 TYR A 61 -5.565 12.798 3.626 1.00 0.00 C ATOM 956 CE2 TYR A 61 -4.106 13.881 5.232 1.00 0.00 C ATOM 957 CZ TYR A 61 -5.177 13.943 4.333 1.00 0.00 C ATOM 958 OH TYR A 61 -5.850 15.132 4.142 1.00 0.00 O ATOM 0 H TYR A 61 -2.379 7.846 5.591 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.962 10.002 6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.047 10.426 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.026 9.673 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.181 10.709 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.597 12.626 6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.391 12.846 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.806 14.764 5.777 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.455 15.826 4.710 1.00 0.00 H new ATOM 968 N LEU A 62 -5.125 8.098 4.440 1.00 0.00 N ATOM 969 CA LEU A 62 -6.421 7.618 3.877 1.00 0.00 C ATOM 970 C LEU A 62 -7.011 6.570 4.815 1.00 0.00 C ATOM 971 O LEU A 62 -8.168 6.214 4.708 1.00 0.00 O ATOM 972 CB LEU A 62 -6.208 7.001 2.490 1.00 0.00 C ATOM 973 CG LEU A 62 -5.665 8.060 1.518 1.00 0.00 C ATOM 974 CD1 LEU A 62 -5.127 7.365 0.264 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.780 9.044 1.116 1.00 0.00 C ATOM 0 H LEU A 62 -4.287 7.734 3.986 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.103 8.462 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.510 6.167 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.149 6.599 2.114 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.866 8.615 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.741 8.113 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.326 6.680 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.931 6.807 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.378 9.787 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.589 8.499 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.163 9.543 2.006 1.00 0.00 H new ATOM 987 N CYS A 63 -6.225 6.084 5.748 1.00 0.00 N ATOM 988 CA CYS A 63 -6.729 5.065 6.721 1.00 0.00 C ATOM 989 C CYS A 63 -6.901 5.758 8.078 1.00 0.00 C ATOM 990 O CYS A 63 -7.142 6.947 8.141 1.00 0.00 O ATOM 991 CB CYS A 63 -5.710 3.909 6.808 1.00 0.00 C ATOM 992 SG CYS A 63 -4.424 4.246 8.042 1.00 0.00 S ATOM 0 H CYS A 63 -5.249 6.353 5.877 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.686 4.650 6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.228 2.985 7.064 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.248 3.756 5.833 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.666 3.560 9.119 1.00 0.00 H new ATOM 998 N SER A 64 -6.760 5.050 9.165 1.00 0.00 N ATOM 999 CA SER A 64 -6.899 5.712 10.493 1.00 0.00 C ATOM 1000 C SER A 64 -6.202 4.875 11.566 1.00 0.00 C ATOM 1001 O SER A 64 -5.274 5.324 12.210 1.00 0.00 O ATOM 1002 CB SER A 64 -8.376 5.857 10.830 1.00 0.00 C ATOM 1003 OG SER A 64 -8.527 6.023 12.234 1.00 0.00 O ATOM 0 H SER A 64 -6.556 4.051 9.192 1.00 0.00 H new ATOM 0 HA SER A 64 -6.436 6.698 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.798 6.714 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.925 4.976 10.496 1.00 0.00 H new ATOM 0 HG SER A 64 -9.478 6.118 12.452 1.00 0.00 H new ATOM 1009 N SER A 65 -6.638 3.666 11.765 1.00 0.00 N ATOM 1010 CA SER A 65 -5.996 2.805 12.798 1.00 0.00 C ATOM 1011 C SER A 65 -6.347 1.344 12.525 1.00 0.00 C ATOM 1012 O SER A 65 -5.553 0.591 11.992 1.00 0.00 O ATOM 1013 CB SER A 65 -6.506 3.201 14.184 1.00 0.00 C ATOM 1014 OG SER A 65 -5.973 2.307 15.153 1.00 0.00 O ATOM 0 H SER A 65 -7.411 3.234 11.258 1.00 0.00 H new ATOM 0 HA SER A 65 -4.914 2.935 12.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.210 4.224 14.415 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.595 3.172 14.206 1.00 0.00 H new ATOM 0 HG SER A 65 -6.296 2.559 16.043 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.532 0.930 12.883 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.925 -0.482 12.637 1.00 0.00 C ATOM 1022 C LEU A 66 -7.575 -0.867 11.203 1.00 0.00 C ATOM 1023 O LEU A 66 -6.797 -1.758 10.986 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.430 -0.646 12.864 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.828 -0.012 14.202 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.279 -0.378 14.521 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -8.911 -0.531 15.319 1.00 0.00 C ATOM 0 H LEU A 66 -8.241 1.508 13.334 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.386 -1.132 13.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.983 -0.176 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.694 -1.704 12.860 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.728 1.071 14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.567 0.071 15.472 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.931 -0.004 13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.375 -1.462 14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.199 -0.077 16.267 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.005 -1.614 15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.877 -0.271 15.091 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.182 -0.236 10.228 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.915 -0.599 8.793 1.00 0.00 C ATOM 1041 C VAL A 67 -6.458 -1.070 8.609 1.00 0.00 C ATOM 1042 O VAL A 67 -6.201 -2.114 8.042 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.174 0.613 7.904 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.997 0.218 6.437 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.603 1.114 8.128 1.00 0.00 C ATOM 0 H VAL A 67 -8.855 0.519 10.361 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.582 -1.414 8.512 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.467 1.404 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.182 1.084 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.980 -0.139 6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.703 -0.574 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.789 1.980 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.309 0.323 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.730 1.397 9.173 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.506 -0.315 9.113 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.072 -0.728 8.997 1.00 0.00 C ATOM 1057 C ALA A 68 -3.929 -2.150 9.548 1.00 0.00 C ATOM 1058 O ALA A 68 -3.257 -2.987 8.976 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.186 0.232 9.803 1.00 0.00 C ATOM 0 H ALA A 68 -5.663 0.568 9.599 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.760 -0.699 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.144 -0.074 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.301 1.245 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.483 0.208 10.851 1.00 0.00 H new ATOM 1065 N SER A 69 -4.620 -2.443 10.620 1.00 0.00 N ATOM 1066 CA SER A 69 -4.604 -3.820 11.187 1.00 0.00 C ATOM 1067 C SER A 69 -5.089 -4.797 10.108 1.00 0.00 C ATOM 1068 O SER A 69 -4.331 -5.522 9.496 1.00 0.00 O ATOM 1069 CB SER A 69 -5.591 -3.856 12.373 1.00 0.00 C ATOM 1070 OG SER A 69 -6.936 -3.848 11.917 1.00 0.00 O ATOM 0 H SER A 69 -5.200 -1.777 11.130 1.00 0.00 H new ATOM 0 HA SER A 69 -3.601 -4.094 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.412 -4.748 12.973 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.418 -2.997 13.021 1.00 0.00 H new ATOM 0 HG SER A 69 -7.112 -3.015 11.432 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.378 -4.796 9.903 1.00 0.00 N ATOM 1077 CA LEU A 70 -7.068 -5.665 8.912 1.00 0.00 C ATOM 1078 C LEU A 70 -6.272 -5.937 7.628 1.00 0.00 C ATOM 1079 O LEU A 70 -5.894 -7.055 7.339 1.00 0.00 O ATOM 1080 CB LEU A 70 -8.364 -4.938 8.498 1.00 0.00 C ATOM 1081 CG LEU A 70 -9.080 -4.367 9.731 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -10.456 -3.844 9.313 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.258 -5.464 10.789 1.00 0.00 C ATOM 0 H LEU A 70 -7.016 -4.188 10.417 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.224 -6.630 9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.129 -4.133 7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.024 -5.630 7.975 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.483 -3.557 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.970 -3.437 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.336 -3.061 8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.044 -4.661 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.767 -5.050 11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.853 -6.277 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.281 -5.845 11.086 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.151 -4.949 6.776 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.534 -5.222 5.449 1.00 0.00 C ATOM 1097 C HIS A 71 -4.104 -5.765 5.578 1.00 0.00 C ATOM 1098 O HIS A 71 -3.752 -6.766 4.966 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.569 -3.959 4.572 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.402 -3.062 4.896 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -3.115 -3.347 4.467 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.309 -1.894 5.610 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.310 -2.370 4.923 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.987 -1.460 5.627 1.00 0.00 N ATOM 0 H HIS A 71 -6.447 -3.987 6.939 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.125 -6.000 4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.539 -4.239 3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.504 -3.422 4.733 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.830 -4.151 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.136 -1.388 6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.246 -2.327 4.742 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.246 -5.105 6.330 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.855 -5.621 6.405 1.00 0.00 C ATOM 1114 C HIS A 72 -1.909 -6.995 7.065 1.00 0.00 C ATOM 1115 O HIS A 72 -0.986 -7.781 6.981 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.937 -4.664 7.169 1.00 0.00 C ATOM 1117 CG HIS A 72 0.451 -5.239 7.228 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.744 -6.389 7.943 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.636 -4.835 6.664 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.059 -6.635 7.793 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.650 -5.718 7.023 1.00 0.00 N ATOM 0 H HIS A 72 -3.446 -4.264 6.872 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.432 -5.703 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.918 -3.691 6.677 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.319 -4.504 8.177 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.084 -6.947 8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.762 -3.965 6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.573 -7.472 8.241 1.00 0.00 H new ATOM 1129 N GLN A 73 -3.030 -7.311 7.662 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.188 -8.661 8.257 1.00 0.00 C ATOM 1131 C GLN A 73 -2.975 -9.624 7.093 1.00 0.00 C ATOM 1132 O GLN A 73 -2.120 -10.484 7.128 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.594 -8.827 8.865 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.557 -9.862 9.996 1.00 0.00 C ATOM 1135 CD GLN A 73 -5.980 -10.322 10.321 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -6.234 -11.503 10.453 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -6.925 -9.432 10.456 1.00 0.00 N ATOM 0 H GLN A 73 -3.835 -6.693 7.760 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.484 -8.842 9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.949 -7.870 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.297 -9.143 8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.947 -10.716 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.093 -9.430 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.712 -8.441 10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.877 -9.728 10.672 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.748 -9.463 6.040 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.577 -10.346 4.844 1.00 0.00 C ATOM 1148 C GLN A 74 -2.076 -10.441 4.566 1.00 0.00 C ATOM 1149 O GLN A 74 -1.446 -11.443 4.843 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.277 -9.713 3.641 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.765 -9.532 3.952 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.429 -10.903 4.094 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.786 -11.523 3.112 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.610 -11.406 5.285 1.00 0.00 N ATOM 0 H GLN A 74 -4.485 -8.762 5.960 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.006 -11.332 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.823 -8.749 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.153 -10.344 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.888 -8.960 4.872 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.247 -8.964 3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.310 -10.885 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.051 -12.320 5.391 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.494 -9.349 4.077 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.007 -9.277 3.836 1.00 0.00 C ATOM 1165 C LEU A 75 0.731 -10.112 4.875 1.00 0.00 C ATOM 1166 O LEU A 75 1.449 -11.027 4.527 1.00 0.00 O ATOM 1167 CB LEU A 75 0.440 -7.816 3.991 1.00 0.00 C ATOM 1168 CG LEU A 75 0.120 -7.030 2.714 1.00 0.00 C ATOM 1169 CD1 LEU A 75 -1.388 -7.044 2.455 1.00 0.00 C ATOM 1170 CD2 LEU A 75 0.593 -5.584 2.883 1.00 0.00 C ATOM 0 H LEU A 75 -2.000 -8.497 3.834 1.00 0.00 H new ATOM 0 HA LEU A 75 0.216 -9.654 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.065 -7.361 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.510 -7.774 4.195 1.00 0.00 H new ATOM 0 HG LEU A 75 0.631 -7.492 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.606 -6.483 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.727 -8.073 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.906 -6.586 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.368 -5.020 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.080 -5.130 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.668 -5.571 3.061 1.00 0.00 H new ATOM 1182 N ASP A 76 0.545 -9.802 6.141 1.00 0.00 N ATOM 1183 CA ASP A 76 1.205 -10.574 7.247 1.00 0.00 C ATOM 1184 C ASP A 76 1.491 -12.007 6.786 1.00 0.00 C ATOM 1185 O ASP A 76 2.618 -12.403 6.536 1.00 0.00 O ATOM 1186 CB ASP A 76 0.216 -10.609 8.441 1.00 0.00 C ATOM 1187 CG ASP A 76 0.987 -10.739 9.763 1.00 0.00 C ATOM 1188 OD1 ASP A 76 1.578 -9.756 10.180 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.971 -11.818 10.331 1.00 0.00 O ATOM 0 H ASP A 76 -0.046 -9.034 6.458 1.00 0.00 H new ATOM 0 HA ASP A 76 2.147 -10.105 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.387 -9.701 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.472 -11.447 8.329 1.00 0.00 H new ATOM 1194 N SER A 77 0.447 -12.775 6.655 1.00 0.00 N ATOM 1195 CA SER A 77 0.591 -14.173 6.206 1.00 0.00 C ATOM 1196 C SER A 77 0.709 -14.230 4.685 1.00 0.00 C ATOM 1197 O SER A 77 1.328 -15.131 4.153 1.00 0.00 O ATOM 1198 CB SER A 77 -0.648 -14.951 6.618 1.00 0.00 C ATOM 1199 OG SER A 77 -0.670 -15.090 8.033 1.00 0.00 O ATOM 0 H SER A 77 -0.512 -12.482 6.845 1.00 0.00 H new ATOM 0 HA SER A 77 1.487 -14.600 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.545 -14.434 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.648 -15.933 6.145 1.00 0.00 H new ATOM 0 HG SER A 77 -1.469 -15.590 8.300 1.00 0.00 H new ATOM 1205 N LEU A 78 0.106 -13.306 3.963 1.00 0.00 N ATOM 1206 CA LEU A 78 0.200 -13.384 2.479 1.00 0.00 C ATOM 1207 C LEU A 78 1.663 -13.562 2.121 1.00 0.00 C ATOM 1208 O LEU A 78 2.045 -14.511 1.475 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.371 -12.103 1.824 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.254 -12.474 0.631 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.093 -11.262 0.205 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.370 -12.914 -0.538 1.00 0.00 C ATOM 0 H LEU A 78 -0.432 -12.523 4.334 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.387 -14.224 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.951 -11.539 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.444 -11.458 1.497 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.919 -13.289 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.719 -11.534 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.725 -10.947 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.432 -10.443 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.997 -13.179 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.296 -12.098 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.222 -13.779 -0.241 1.00 0.00 H new ATOM 1224 N ILE A 79 2.497 -12.678 2.598 1.00 0.00 N ATOM 1225 CA ILE A 79 3.945 -12.813 2.362 1.00 0.00 C ATOM 1226 C ILE A 79 4.338 -14.224 2.795 1.00 0.00 C ATOM 1227 O ILE A 79 4.897 -14.987 2.033 1.00 0.00 O ATOM 1228 CB ILE A 79 4.646 -11.746 3.237 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.725 -10.401 2.486 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.053 -12.188 3.653 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.534 -10.521 1.181 1.00 0.00 C ATOM 0 H ILE A 79 2.224 -11.862 3.146 1.00 0.00 H new ATOM 0 HA ILE A 79 4.227 -12.665 1.319 1.00 0.00 H new ATOM 0 HB ILE A 79 4.048 -11.624 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.718 -10.052 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.184 -9.651 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.512 -11.412 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.989 -13.113 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.660 -12.354 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.566 -9.552 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.549 -10.844 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.060 -11.251 0.525 1.00 0.00 H new ATOM 1243 N SER A 80 4.051 -14.576 4.021 1.00 0.00 N ATOM 1244 CA SER A 80 4.416 -15.935 4.489 1.00 0.00 C ATOM 1245 C SER A 80 3.947 -16.979 3.472 1.00 0.00 C ATOM 1246 O SER A 80 4.711 -17.828 3.042 1.00 0.00 O ATOM 1247 CB SER A 80 3.751 -16.211 5.837 1.00 0.00 C ATOM 1248 OG SER A 80 3.946 -15.095 6.695 1.00 0.00 O ATOM 0 H SER A 80 3.584 -13.984 4.708 1.00 0.00 H new ATOM 0 HA SER A 80 5.499 -15.994 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.686 -16.396 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.175 -17.109 6.287 1.00 0.00 H new ATOM 0 HG SER A 80 3.519 -15.269 7.560 1.00 0.00 H new ATOM 1254 N GLU A 81 2.694 -16.954 3.097 1.00 0.00 N ATOM 1255 CA GLU A 81 2.203 -17.980 2.148 1.00 0.00 C ATOM 1256 C GLU A 81 2.677 -17.702 0.721 1.00 0.00 C ATOM 1257 O GLU A 81 2.824 -18.615 -0.070 1.00 0.00 O ATOM 1258 CB GLU A 81 0.675 -17.985 2.175 1.00 0.00 C ATOM 1259 CG GLU A 81 0.154 -19.236 1.467 1.00 0.00 C ATOM 1260 CD GLU A 81 0.407 -20.463 2.345 1.00 0.00 C ATOM 1261 OE1 GLU A 81 0.265 -20.344 3.551 1.00 0.00 O ATOM 1262 OE2 GLU A 81 0.737 -21.502 1.797 1.00 0.00 O ATOM 0 H GLU A 81 2.001 -16.273 3.406 1.00 0.00 H new ATOM 0 HA GLU A 81 2.601 -18.948 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.319 -17.963 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.290 -17.091 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.912 -19.134 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.651 -19.356 0.505 1.00 0.00 H new ATOM 1269 N ALA A 82 2.859 -16.461 0.340 1.00 0.00 N ATOM 1270 CA ALA A 82 3.242 -16.208 -1.079 1.00 0.00 C ATOM 1271 C ALA A 82 4.691 -16.625 -1.310 1.00 0.00 C ATOM 1272 O ALA A 82 5.059 -17.099 -2.363 1.00 0.00 O ATOM 1273 CB ALA A 82 3.084 -14.722 -1.408 1.00 0.00 C ATOM 0 H ALA A 82 2.762 -15.636 0.932 1.00 0.00 H new ATOM 0 HA ALA A 82 2.589 -16.793 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.366 -14.547 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.046 -14.425 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.727 -14.134 -0.753 1.00 0.00 H new ATOM 1279 N GLU A 83 5.527 -16.413 -0.324 1.00 0.00 N ATOM 1280 CA GLU A 83 6.960 -16.762 -0.492 1.00 0.00 C ATOM 1281 C GLU A 83 7.075 -18.276 -0.592 1.00 0.00 C ATOM 1282 O GLU A 83 7.910 -18.803 -1.302 1.00 0.00 O ATOM 1283 CB GLU A 83 7.785 -16.240 0.686 1.00 0.00 C ATOM 1284 CG GLU A 83 7.769 -14.710 0.686 1.00 0.00 C ATOM 1285 CD GLU A 83 8.443 -14.193 1.958 1.00 0.00 C ATOM 1286 OE1 GLU A 83 7.937 -14.477 3.031 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.454 -13.520 1.837 1.00 0.00 O ATOM 0 H GLU A 83 5.276 -16.016 0.581 1.00 0.00 H new ATOM 0 HA GLU A 83 7.349 -16.298 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.378 -16.618 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.810 -16.603 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.289 -14.330 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.743 -14.346 0.632 1.00 0.00 H new ATOM 1294 N THR A 84 6.221 -18.984 0.093 1.00 0.00 N ATOM 1295 CA THR A 84 6.261 -20.463 0.012 1.00 0.00 C ATOM 1296 C THR A 84 6.091 -20.862 -1.464 1.00 0.00 C ATOM 1297 O THR A 84 6.823 -21.679 -1.986 1.00 0.00 O ATOM 1298 CB THR A 84 5.104 -21.032 0.872 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.432 -19.953 1.500 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.641 -21.979 1.955 1.00 0.00 C ATOM 0 H THR A 84 5.500 -18.600 0.703 1.00 0.00 H new ATOM 0 HA THR A 84 7.205 -20.860 0.386 1.00 0.00 H new ATOM 0 HB THR A 84 4.426 -21.589 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.994 -19.590 2.216 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.810 -22.365 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.168 -22.809 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.327 -21.436 2.606 1.00 0.00 H new ATOM 1308 N ARG A 85 5.107 -20.294 -2.122 1.00 0.00 N ATOM 1309 CA ARG A 85 4.842 -20.628 -3.557 1.00 0.00 C ATOM 1310 C ARG A 85 6.145 -20.799 -4.332 1.00 0.00 C ATOM 1311 O ARG A 85 6.230 -21.611 -5.232 1.00 0.00 O ATOM 1312 CB ARG A 85 4.032 -19.498 -4.212 1.00 0.00 C ATOM 1313 CG ARG A 85 3.844 -19.774 -5.728 1.00 0.00 C ATOM 1314 CD ARG A 85 4.866 -18.977 -6.563 1.00 0.00 C ATOM 1315 NE ARG A 85 5.052 -19.644 -7.882 1.00 0.00 N ATOM 1316 CZ ARG A 85 5.629 -19.003 -8.861 1.00 0.00 C ATOM 1317 NH1 ARG A 85 6.044 -17.778 -8.685 1.00 0.00 N ATOM 1318 NH2 ARG A 85 5.791 -19.586 -10.017 1.00 0.00 N ATOM 0 H ARG A 85 4.470 -19.606 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 85 4.284 -21.564 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.059 -19.412 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.544 -18.546 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.960 -20.840 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.832 -19.502 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.517 -17.954 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.818 -18.919 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 85 4.728 -20.601 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.917 -17.321 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.495 -17.277 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.467 -20.543 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.242 -19.085 -10.782 1.00 0.00 H new ATOM 1332 N GLY A 86 7.165 -20.043 -4.002 1.00 0.00 N ATOM 1333 CA GLY A 86 8.469 -20.166 -4.735 1.00 0.00 C ATOM 1334 C GLY A 86 8.655 -18.973 -5.685 1.00 0.00 C ATOM 1335 O GLY A 86 8.823 -19.138 -6.877 1.00 0.00 O ATOM 0 H GLY A 86 7.153 -19.346 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.293 -20.206 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.491 -21.098 -5.300 1.00 0.00 H new ATOM 1339 N ILE A 87 8.633 -17.772 -5.165 1.00 0.00 N ATOM 1340 CA ILE A 87 8.817 -16.568 -6.034 1.00 0.00 C ATOM 1341 C ILE A 87 10.235 -16.570 -6.631 1.00 0.00 C ATOM 1342 O ILE A 87 10.740 -17.584 -7.070 1.00 0.00 O ATOM 1343 CB ILE A 87 8.629 -15.302 -5.178 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.325 -15.424 -4.374 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.600 -14.022 -6.063 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.131 -15.630 -5.314 1.00 0.00 C ATOM 0 H ILE A 87 8.495 -17.572 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 87 8.086 -16.586 -6.843 1.00 0.00 H new ATOM 0 HB ILE A 87 9.474 -15.212 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.397 -16.261 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.174 -14.525 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.466 -13.145 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.540 -13.936 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.774 -14.088 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.216 -15.714 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.050 -14.780 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.276 -16.542 -5.892 1.00 0.00 H new ATOM 1358 N THR A 88 10.873 -15.431 -6.635 1.00 0.00 N ATOM 1359 CA THR A 88 12.253 -15.334 -7.181 1.00 0.00 C ATOM 1360 C THR A 88 13.176 -16.049 -6.214 1.00 0.00 C ATOM 1361 O THR A 88 14.195 -15.530 -5.806 1.00 0.00 O ATOM 1362 CB THR A 88 12.648 -13.855 -7.292 1.00 0.00 C ATOM 1363 OG1 THR A 88 13.827 -13.741 -8.076 1.00 0.00 O ATOM 1364 CG2 THR A 88 12.897 -13.238 -5.899 1.00 0.00 C ATOM 0 H THR A 88 10.491 -14.555 -6.279 1.00 0.00 H new ATOM 0 HA THR A 88 12.318 -15.787 -8.170 1.00 0.00 H new ATOM 0 HB THR A 88 11.828 -13.314 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.548 -14.257 -7.659 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.175 -12.190 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.989 -13.311 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.703 -13.777 -5.401 1.00 0.00 H new ATOM 1372 N SER A 89 12.820 -17.241 -5.830 1.00 0.00 N ATOM 1373 CA SER A 89 13.667 -17.983 -4.863 1.00 0.00 C ATOM 1374 C SER A 89 13.986 -17.066 -3.673 1.00 0.00 C ATOM 1375 O SER A 89 14.758 -17.425 -2.817 1.00 0.00 O ATOM 1376 CB SER A 89 14.965 -18.419 -5.543 1.00 0.00 C ATOM 1377 OG SER A 89 15.636 -19.360 -4.714 1.00 0.00 O ATOM 0 H SER A 89 11.982 -17.731 -6.143 1.00 0.00 H new ATOM 0 HA SER A 89 13.137 -18.868 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.749 -18.862 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.604 -17.554 -5.722 1.00 0.00 H new ATOM 0 HG SER A 89 15.690 -19.010 -3.800 1.00 0.00 H new ATOM 1383 N TYR A 90 13.333 -15.915 -3.607 1.00 0.00 N ATOM 1384 CA TYR A 90 13.497 -14.932 -2.477 1.00 0.00 C ATOM 1385 C TYR A 90 14.917 -14.851 -1.876 1.00 0.00 C ATOM 1386 O TYR A 90 15.641 -15.814 -1.771 1.00 0.00 O ATOM 1387 CB TYR A 90 12.536 -15.329 -1.348 1.00 0.00 C ATOM 1388 CG TYR A 90 12.640 -16.815 -1.102 1.00 0.00 C ATOM 1389 CD1 TYR A 90 13.607 -17.311 -0.219 1.00 0.00 C ATOM 1390 CD2 TYR A 90 11.770 -17.696 -1.755 1.00 0.00 C ATOM 1391 CE1 TYR A 90 13.703 -18.689 0.010 1.00 0.00 C ATOM 1392 CE2 TYR A 90 11.866 -19.074 -1.525 1.00 0.00 C ATOM 1393 CZ TYR A 90 12.833 -19.570 -0.642 1.00 0.00 C ATOM 1394 OH TYR A 90 12.928 -20.928 -0.415 1.00 0.00 O ATOM 0 H TYR A 90 12.670 -15.610 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 90 13.286 -13.952 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.780 -14.780 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.513 -15.064 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.278 -16.631 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.025 -17.313 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.449 -19.072 0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.195 -19.754 -2.028 1.00 0.00 H new ATOM 0 HH TYR A 90 12.250 -21.397 -0.945 1.00 0.00 H new ATOM 1404 N ASN A 91 15.259 -13.706 -1.343 1.00 0.00 N ATOM 1405 CA ASN A 91 16.549 -13.600 -0.611 1.00 0.00 C ATOM 1406 C ASN A 91 16.709 -12.189 0.002 1.00 0.00 C ATOM 1407 O ASN A 91 17.073 -12.083 1.148 1.00 0.00 O ATOM 1408 CB ASN A 91 17.748 -14.009 -1.496 1.00 0.00 C ATOM 1409 CG ASN A 91 18.493 -15.200 -0.877 1.00 0.00 C ATOM 1410 OD1 ASN A 91 17.892 -16.047 -0.246 1.00 0.00 O ATOM 1411 ND2 ASN A 91 19.784 -15.301 -1.037 1.00 0.00 N ATOM 0 H ASN A 91 14.705 -12.850 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 91 16.534 -14.312 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.398 -14.271 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.429 -13.165 -1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.288 -16.090 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.289 -14.591 -1.566 1.00 0.00 H new ATOM 1418 N PRO A 92 16.423 -11.137 -0.739 1.00 0.00 N ATOM 1419 CA PRO A 92 16.530 -9.778 -0.175 1.00 0.00 C ATOM 1420 C PRO A 92 15.403 -9.565 0.846 1.00 0.00 C ATOM 1421 O PRO A 92 15.602 -8.950 1.875 1.00 0.00 O ATOM 1422 CB PRO A 92 16.390 -8.831 -1.382 1.00 0.00 C ATOM 1423 CG PRO A 92 16.088 -9.718 -2.631 1.00 0.00 C ATOM 1424 CD PRO A 92 16.017 -11.191 -2.156 1.00 0.00 C ATOM 0 HA PRO A 92 17.469 -9.602 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.587 -8.113 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.305 -8.257 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.147 -9.420 -3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.866 -9.596 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.011 -11.597 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.683 -11.829 -2.737 1.00 0.00 H new ATOM 1432 N LEU A 93 14.232 -10.118 0.587 1.00 0.00 N ATOM 1433 CA LEU A 93 13.110 -9.999 1.577 1.00 0.00 C ATOM 1434 C LEU A 93 13.702 -10.345 2.922 1.00 0.00 C ATOM 1435 O LEU A 93 13.672 -9.548 3.819 1.00 0.00 O ATOM 1436 CB LEU A 93 11.979 -10.975 1.237 1.00 0.00 C ATOM 1437 CG LEU A 93 11.643 -10.881 -0.274 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.446 -11.932 -1.066 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.128 -11.101 -0.487 1.00 0.00 C ATOM 0 H LEU A 93 14.010 -10.641 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 93 12.684 -8.996 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.276 -11.993 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.095 -10.743 1.831 1.00 0.00 H new ATOM 0 HG LEU A 93 11.915 -9.889 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.201 -11.855 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.513 -11.756 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.193 -12.930 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.897 -11.034 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.848 -12.087 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.570 -10.337 0.055 1.00 0.00 H new ATOM 1451 N ALA A 94 14.266 -11.534 2.996 1.00 0.00 N ATOM 1452 CA ALA A 94 14.968 -12.054 4.222 1.00 0.00 C ATOM 1453 C ALA A 94 15.048 -10.978 5.305 1.00 0.00 C ATOM 1454 O ALA A 94 14.580 -11.140 6.414 1.00 0.00 O ATOM 1455 CB ALA A 94 16.378 -12.412 3.782 1.00 0.00 C ATOM 0 H ALA A 94 14.267 -12.194 2.219 1.00 0.00 H new ATOM 0 HA ALA A 94 14.430 -12.906 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.938 -12.797 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.334 -13.173 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.875 -11.523 3.393 1.00 0.00 H new ATOM 1461 N GLY A 95 15.585 -9.846 4.933 1.00 0.00 N ATOM 1462 CA GLY A 95 15.648 -8.689 5.869 1.00 0.00 C ATOM 1463 C GLY A 95 14.200 -8.249 6.119 1.00 0.00 C ATOM 1464 O GLY A 95 13.301 -9.049 5.968 1.00 0.00 O ATOM 0 H GLY A 95 15.986 -9.674 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.134 -8.972 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.232 -7.875 5.440 1.00 0.00 H new ATOM 1468 N PRO A 96 13.972 -7.014 6.501 1.00 0.00 N ATOM 1469 CA PRO A 96 12.587 -6.563 6.733 1.00 0.00 C ATOM 1470 C PRO A 96 11.919 -6.349 5.355 1.00 0.00 C ATOM 1471 O PRO A 96 12.581 -6.444 4.341 1.00 0.00 O ATOM 1472 CB PRO A 96 12.742 -5.246 7.514 1.00 0.00 C ATOM 1473 CG PRO A 96 14.257 -4.857 7.454 1.00 0.00 C ATOM 1474 CD PRO A 96 15.016 -6.026 6.774 1.00 0.00 C ATOM 0 HA PRO A 96 11.965 -7.267 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.124 -4.462 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.415 -5.369 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.393 -3.934 6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.647 -4.680 8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.509 -5.702 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.790 -6.432 7.426 1.00 0.00 H new ATOM 1482 N LEU A 97 10.648 -6.041 5.277 1.00 0.00 N ATOM 1483 CA LEU A 97 10.036 -5.809 3.923 1.00 0.00 C ATOM 1484 C LEU A 97 10.390 -4.384 3.453 1.00 0.00 C ATOM 1485 O LEU A 97 10.965 -4.199 2.392 1.00 0.00 O ATOM 1486 CB LEU A 97 8.512 -5.962 4.005 1.00 0.00 C ATOM 1487 CG LEU A 97 8.121 -7.448 4.077 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.402 -8.156 2.736 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.911 -8.131 5.200 1.00 0.00 C ATOM 0 H LEU A 97 10.016 -5.941 6.071 1.00 0.00 H new ATOM 0 HA LEU A 97 10.426 -6.540 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.135 -5.438 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.047 -5.500 3.134 1.00 0.00 H new ATOM 0 HG LEU A 97 7.053 -7.517 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.117 -9.205 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.823 -7.679 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.464 -8.084 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.634 -9.184 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.979 -8.046 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.683 -7.649 6.151 1.00 0.00 H new ATOM 1501 N ARG A 98 10.027 -3.380 4.231 1.00 0.00 N ATOM 1502 CA ARG A 98 10.321 -1.950 3.859 1.00 0.00 C ATOM 1503 C ARG A 98 11.705 -1.865 3.199 1.00 0.00 C ATOM 1504 O ARG A 98 11.997 -0.998 2.408 1.00 0.00 O ATOM 1505 CB ARG A 98 10.336 -1.106 5.157 1.00 0.00 C ATOM 1506 CG ARG A 98 8.922 -0.591 5.472 1.00 0.00 C ATOM 1507 CD ARG A 98 8.871 -0.039 6.899 1.00 0.00 C ATOM 1508 NE ARG A 98 7.453 0.226 7.273 1.00 0.00 N ATOM 1509 CZ ARG A 98 7.131 0.420 8.522 1.00 0.00 C ATOM 1510 NH1 ARG A 98 8.050 0.377 9.447 1.00 0.00 N ATOM 1511 NH2 ARG A 98 5.889 0.655 8.847 1.00 0.00 N ATOM 0 H ARG A 98 9.534 -3.494 5.117 1.00 0.00 H new ATOM 0 HA ARG A 98 9.564 -1.581 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.705 -1.709 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.021 -0.265 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.643 0.188 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.199 -1.399 5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.315 -0.752 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.455 0.879 6.968 1.00 0.00 H new ATOM 0 HE ARG A 98 6.733 0.256 6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.020 0.192 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.798 0.529 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.170 0.687 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.637 0.807 9.824 1.00 0.00 H new ATOM 1525 N VAL A 99 12.538 -2.796 3.553 1.00 0.00 N ATOM 1526 CA VAL A 99 13.923 -2.860 3.006 1.00 0.00 C ATOM 1527 C VAL A 99 13.874 -3.373 1.568 1.00 0.00 C ATOM 1528 O VAL A 99 14.508 -2.832 0.684 1.00 0.00 O ATOM 1529 CB VAL A 99 14.774 -3.802 3.913 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.665 -4.751 3.079 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.677 -2.950 4.823 1.00 0.00 C ATOM 0 H VAL A 99 12.314 -3.537 4.217 1.00 0.00 H new ATOM 0 HA VAL A 99 14.382 -1.871 2.998 1.00 0.00 H new ATOM 0 HB VAL A 99 14.086 -4.407 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.241 -5.390 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.037 -5.369 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.345 -4.163 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.274 -3.604 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.338 -2.338 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.059 -2.303 5.446 1.00 0.00 H new ATOM 1541 N GLN A 100 13.165 -4.425 1.334 1.00 0.00 N ATOM 1542 CA GLN A 100 13.112 -4.992 -0.018 1.00 0.00 C ATOM 1543 C GLN A 100 12.623 -3.960 -1.046 1.00 0.00 C ATOM 1544 O GLN A 100 13.341 -3.602 -1.958 1.00 0.00 O ATOM 1545 CB GLN A 100 12.173 -6.194 0.032 1.00 0.00 C ATOM 1546 CG GLN A 100 11.784 -6.628 -1.367 1.00 0.00 C ATOM 1547 CD GLN A 100 13.038 -6.782 -2.231 1.00 0.00 C ATOM 1548 OE1 GLN A 100 13.635 -7.831 -2.263 1.00 0.00 O ATOM 1549 NE2 GLN A 100 13.453 -5.775 -2.949 1.00 0.00 N ATOM 0 H GLN A 100 12.613 -4.921 2.034 1.00 0.00 H new ATOM 0 HA GLN A 100 14.110 -5.293 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.658 -7.020 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.279 -5.940 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.241 -7.572 -1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.113 -5.893 -1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.950 -4.888 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.281 -5.874 -3.537 1.00 0.00 H new ATOM 1558 N ALA A 101 11.399 -3.516 -0.948 1.00 0.00 N ATOM 1559 CA ALA A 101 10.897 -2.562 -1.990 1.00 0.00 C ATOM 1560 C ALA A 101 11.603 -1.208 -1.879 1.00 0.00 C ATOM 1561 O ALA A 101 11.952 -0.619 -2.883 1.00 0.00 O ATOM 1562 CB ALA A 101 9.379 -2.401 -1.900 1.00 0.00 C ATOM 0 H ALA A 101 10.736 -3.762 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 101 11.130 -2.981 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.041 -1.704 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.901 -3.368 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.112 -2.016 -0.916 1.00 0.00 H new ATOM 1568 N ASN A 102 11.834 -0.697 -0.706 1.00 0.00 N ATOM 1569 CA ASN A 102 12.539 0.617 -0.625 1.00 0.00 C ATOM 1570 C ASN A 102 13.993 0.420 -1.073 1.00 0.00 C ATOM 1571 O ASN A 102 14.911 0.965 -0.493 1.00 0.00 O ATOM 1572 CB ASN A 102 12.510 1.152 0.812 1.00 0.00 C ATOM 1573 CG ASN A 102 12.798 2.656 0.808 1.00 0.00 C ATOM 1574 OD1 ASN A 102 12.092 3.420 0.180 1.00 0.00 O ATOM 1575 ND2 ASN A 102 13.814 3.115 1.486 1.00 0.00 N ATOM 0 H ASN A 102 11.573 -1.118 0.186 1.00 0.00 H new ATOM 0 HA ASN A 102 12.039 1.339 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.536 0.959 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.251 0.632 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 102 14.015 4.115 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.407 2.474 2.013 1.00 0.00 H new ATOM 1582 N ASN A 103 14.202 -0.372 -2.100 1.00 0.00 N ATOM 1583 CA ASN A 103 15.586 -0.639 -2.603 1.00 0.00 C ATOM 1584 C ASN A 103 15.629 -0.441 -4.135 1.00 0.00 C ATOM 1585 O ASN A 103 15.257 -1.343 -4.860 1.00 0.00 O ATOM 1586 CB ASN A 103 15.946 -2.093 -2.293 1.00 0.00 C ATOM 1587 CG ASN A 103 17.436 -2.318 -2.558 1.00 0.00 C ATOM 1588 OD1 ASN A 103 18.176 -1.378 -2.769 1.00 0.00 O ATOM 1589 ND2 ASN A 103 17.910 -3.534 -2.557 1.00 0.00 N ATOM 0 H ASN A 103 13.463 -0.849 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 103 16.287 0.044 -2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.712 -2.323 -1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.350 -2.766 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.902 -3.695 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.289 -4.323 -2.380 1.00 0.00 H new ATOM 1596 N PRO A 104 16.077 0.712 -4.608 1.00 0.00 N ATOM 1597 CA PRO A 104 16.150 0.965 -6.063 1.00 0.00 C ATOM 1598 C PRO A 104 16.981 -0.126 -6.752 1.00 0.00 C ATOM 1599 O PRO A 104 16.836 -0.369 -7.934 1.00 0.00 O ATOM 1600 CB PRO A 104 16.813 2.358 -6.191 1.00 0.00 C ATOM 1601 CG PRO A 104 16.865 2.972 -4.765 1.00 0.00 C ATOM 1602 CD PRO A 104 16.546 1.839 -3.767 1.00 0.00 C ATOM 0 HA PRO A 104 15.172 0.946 -6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.816 2.270 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.241 2.996 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.849 3.395 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.143 3.783 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.428 1.561 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.781 2.145 -3.053 1.00 0.00 H new ATOM 1610 N GLN A 105 17.843 -0.787 -6.032 1.00 0.00 N ATOM 1611 CA GLN A 105 18.664 -1.857 -6.667 1.00 0.00 C ATOM 1612 C GLN A 105 17.808 -3.114 -6.853 1.00 0.00 C ATOM 1613 O GLN A 105 18.219 -4.067 -7.484 1.00 0.00 O ATOM 1614 CB GLN A 105 19.865 -2.177 -5.774 1.00 0.00 C ATOM 1615 CG GLN A 105 20.690 -0.907 -5.557 1.00 0.00 C ATOM 1616 CD GLN A 105 21.891 -1.224 -4.664 1.00 0.00 C ATOM 1617 OE1 GLN A 105 22.943 -0.633 -4.810 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.778 -2.136 -3.738 1.00 0.00 N ATOM 0 H GLN A 105 18.015 -0.635 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 105 19.019 -1.516 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.525 -2.571 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.480 -2.949 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.030 -0.513 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.074 -0.135 -5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.895 -2.632 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.573 -2.353 -3.136 1.00 0.00 H new ATOM 1627 N GLN A 106 16.617 -3.122 -6.312 1.00 0.00 N ATOM 1628 CA GLN A 106 15.728 -4.315 -6.457 1.00 0.00 C ATOM 1629 C GLN A 106 14.265 -3.865 -6.379 1.00 0.00 C ATOM 1630 O GLN A 106 13.605 -4.034 -5.374 1.00 0.00 O ATOM 1631 CB GLN A 106 16.022 -5.309 -5.330 1.00 0.00 C ATOM 1632 CG GLN A 106 17.445 -5.852 -5.487 1.00 0.00 C ATOM 1633 CD GLN A 106 17.629 -7.082 -4.598 1.00 0.00 C ATOM 1634 OE1 GLN A 106 16.915 -7.261 -3.631 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.566 -7.944 -4.887 1.00 0.00 N ATOM 0 H GLN A 106 16.220 -2.351 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 106 15.910 -4.796 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.912 -4.820 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.304 -6.128 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.632 -6.113 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.169 -5.084 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.165 -7.793 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.699 -8.768 -4.301 1.00 0.00 H new ATOM 1644 N GLN A 107 13.761 -3.276 -7.433 1.00 0.00 N ATOM 1645 CA GLN A 107 12.346 -2.793 -7.424 1.00 0.00 C ATOM 1646 C GLN A 107 11.393 -3.907 -7.880 1.00 0.00 C ATOM 1647 O GLN A 107 10.189 -3.748 -7.856 1.00 0.00 O ATOM 1648 CB GLN A 107 12.209 -1.599 -8.373 1.00 0.00 C ATOM 1649 CG GLN A 107 12.657 -2.003 -9.779 1.00 0.00 C ATOM 1650 CD GLN A 107 12.629 -0.778 -10.694 1.00 0.00 C ATOM 1651 OE1 GLN A 107 11.594 -0.423 -11.222 1.00 0.00 O ATOM 1652 NE2 GLN A 107 13.731 -0.111 -10.906 1.00 0.00 N ATOM 0 H GLN A 107 14.269 -3.108 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 107 12.086 -2.497 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.174 -1.257 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 107 12.813 -0.766 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.663 -2.422 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.001 -2.779 -10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.600 -0.408 -10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.723 0.708 -11.515 1.00 0.00 H new ATOM 1661 N GLY A 108 11.910 -5.033 -8.293 1.00 0.00 N ATOM 1662 CA GLY A 108 11.010 -6.139 -8.740 1.00 0.00 C ATOM 1663 C GLY A 108 10.011 -6.450 -7.623 1.00 0.00 C ATOM 1664 O GLY A 108 8.811 -6.422 -7.815 1.00 0.00 O ATOM 0 H GLY A 108 12.909 -5.236 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.481 -5.850 -9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.595 -7.027 -8.980 1.00 0.00 H new ATOM 1668 N LEU A 109 10.509 -6.727 -6.454 1.00 0.00 N ATOM 1669 CA LEU A 109 9.625 -7.024 -5.293 1.00 0.00 C ATOM 1670 C LEU A 109 8.720 -5.828 -5.015 1.00 0.00 C ATOM 1671 O LEU A 109 7.886 -5.879 -4.142 1.00 0.00 O ATOM 1672 CB LEU A 109 10.485 -7.322 -4.067 1.00 0.00 C ATOM 1673 CG LEU A 109 11.100 -8.738 -4.146 1.00 0.00 C ATOM 1674 CD1 LEU A 109 10.075 -9.796 -3.718 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.600 -9.044 -5.568 1.00 0.00 C ATOM 0 H LEU A 109 11.508 -6.761 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 109 9.005 -7.891 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.281 -6.581 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.879 -7.236 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 109 11.950 -8.769 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.526 -10.786 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.761 -9.604 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.208 -9.750 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.028 -10.046 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.766 -8.986 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.361 -8.317 -5.850 1.00 0.00 H new ATOM 1687 N ARG A 110 8.817 -4.785 -5.788 1.00 0.00 N ATOM 1688 CA ARG A 110 7.887 -3.633 -5.598 1.00 0.00 C ATOM 1689 C ARG A 110 6.707 -3.905 -6.525 1.00 0.00 C ATOM 1690 O ARG A 110 5.661 -4.328 -6.074 1.00 0.00 O ATOM 1691 CB ARG A 110 8.575 -2.311 -5.963 1.00 0.00 C ATOM 1692 CG ARG A 110 7.789 -1.134 -5.377 1.00 0.00 C ATOM 1693 CD ARG A 110 8.590 0.157 -5.563 1.00 0.00 C ATOM 1694 NE ARG A 110 9.051 0.258 -6.977 1.00 0.00 N ATOM 1695 CZ ARG A 110 9.494 1.396 -7.439 1.00 0.00 C ATOM 1696 NH1 ARG A 110 9.536 2.443 -6.661 1.00 0.00 N ATOM 1697 NH2 ARG A 110 9.895 1.486 -8.677 1.00 0.00 N ATOM 0 H ARG A 110 9.496 -4.678 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 110 7.569 -3.539 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.596 -2.304 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.640 -2.212 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.821 -1.048 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.594 -1.304 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.974 1.019 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.446 0.166 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 110 9.020 -0.562 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.223 2.372 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.882 3.332 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.863 0.667 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.241 2.375 -9.038 1.00 0.00 H new ATOM 1711 N ARG A 111 6.862 -3.693 -7.808 1.00 0.00 N ATOM 1712 CA ARG A 111 5.739 -3.980 -8.761 1.00 0.00 C ATOM 1713 C ARG A 111 5.042 -5.283 -8.340 1.00 0.00 C ATOM 1714 O ARG A 111 3.847 -5.441 -8.497 1.00 0.00 O ATOM 1715 CB ARG A 111 6.299 -4.135 -10.170 1.00 0.00 C ATOM 1716 CG ARG A 111 7.461 -5.130 -10.131 1.00 0.00 C ATOM 1717 CD ARG A 111 8.051 -5.283 -11.526 1.00 0.00 C ATOM 1718 NE ARG A 111 7.130 -6.096 -12.370 1.00 0.00 N ATOM 1719 CZ ARG A 111 7.277 -6.111 -13.666 1.00 0.00 C ATOM 1720 NH1 ARG A 111 8.231 -5.418 -14.223 1.00 0.00 N ATOM 1721 NH2 ARG A 111 6.469 -6.821 -14.406 1.00 0.00 N ATOM 0 H ARG A 111 7.714 -3.335 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 111 5.022 -3.159 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.522 -4.488 -10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.639 -3.171 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.227 -4.783 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.113 -6.096 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.204 -4.303 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.028 -5.763 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 111 6.385 -6.640 -11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.863 -4.864 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.345 -5.430 -15.237 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.723 -7.364 -13.971 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.584 -6.833 -15.419 1.00 0.00 H new ATOM 1735 N GLU A 112 5.777 -6.202 -7.778 1.00 0.00 N ATOM 1736 CA GLU A 112 5.152 -7.471 -7.316 1.00 0.00 C ATOM 1737 C GLU A 112 4.452 -7.206 -5.979 1.00 0.00 C ATOM 1738 O GLU A 112 3.256 -7.370 -5.849 1.00 0.00 O ATOM 1739 CB GLU A 112 6.230 -8.538 -7.129 1.00 0.00 C ATOM 1740 CG GLU A 112 5.569 -9.905 -6.945 1.00 0.00 C ATOM 1741 CD GLU A 112 6.647 -10.984 -6.836 1.00 0.00 C ATOM 1742 OE1 GLU A 112 7.208 -11.126 -5.762 1.00 0.00 O ATOM 1743 OE2 GLU A 112 6.894 -11.649 -7.828 1.00 0.00 O ATOM 0 H GLU A 112 6.782 -6.129 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 112 4.431 -7.824 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.893 -8.556 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.845 -8.300 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.950 -9.903 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.910 -10.118 -7.787 1.00 0.00 H new ATOM 1750 N TYR A 113 5.192 -6.779 -4.988 1.00 0.00 N ATOM 1751 CA TYR A 113 4.565 -6.484 -3.666 1.00 0.00 C ATOM 1752 C TYR A 113 3.380 -5.549 -3.890 1.00 0.00 C ATOM 1753 O TYR A 113 2.560 -5.354 -3.020 1.00 0.00 O ATOM 1754 CB TYR A 113 5.577 -5.805 -2.738 1.00 0.00 C ATOM 1755 CG TYR A 113 4.891 -5.371 -1.464 1.00 0.00 C ATOM 1756 CD1 TYR A 113 4.301 -4.103 -1.387 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.847 -6.232 -0.361 1.00 0.00 C ATOM 1758 CE1 TYR A 113 3.668 -3.697 -0.207 1.00 0.00 C ATOM 1759 CE2 TYR A 113 4.214 -5.825 0.819 1.00 0.00 C ATOM 1760 CZ TYR A 113 3.624 -4.557 0.896 1.00 0.00 C ATOM 1761 OH TYR A 113 3.001 -4.155 2.059 1.00 0.00 O ATOM 0 H TYR A 113 6.199 -6.623 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 113 4.235 -7.414 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.391 -6.492 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.019 -4.942 -3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.335 -3.439 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.301 -7.210 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.213 -2.719 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.180 -6.489 1.670 1.00 0.00 H new ATOM 0 HH TYR A 113 2.276 -3.532 1.843 1.00 0.00 H new ATOM 1771 N GLN A 114 3.283 -4.980 -5.063 1.00 0.00 N ATOM 1772 CA GLN A 114 2.150 -4.065 -5.373 1.00 0.00 C ATOM 1773 C GLN A 114 0.970 -4.900 -5.876 1.00 0.00 C ATOM 1774 O GLN A 114 -0.178 -4.585 -5.637 1.00 0.00 O ATOM 1775 CB GLN A 114 2.575 -3.077 -6.464 1.00 0.00 C ATOM 1776 CG GLN A 114 3.481 -2.002 -5.859 1.00 0.00 C ATOM 1777 CD GLN A 114 3.898 -1.014 -6.949 1.00 0.00 C ATOM 1778 OE1 GLN A 114 3.750 -1.289 -8.123 1.00 0.00 O ATOM 1779 NE2 GLN A 114 4.417 0.134 -6.608 1.00 0.00 N ATOM 0 H GLN A 114 3.948 -5.113 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 114 1.863 -3.512 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.101 -3.603 -7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 114 1.696 -2.615 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.958 -1.478 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.363 -2.463 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.541 0.365 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.698 0.800 -7.327 1.00 0.00 H new ATOM 1788 N GLN A 115 1.254 -5.969 -6.572 1.00 0.00 N ATOM 1789 CA GLN A 115 0.165 -6.839 -7.101 1.00 0.00 C ATOM 1790 C GLN A 115 -0.409 -7.691 -5.967 1.00 0.00 C ATOM 1791 O GLN A 115 -1.586 -7.997 -5.943 1.00 0.00 O ATOM 1792 CB GLN A 115 0.727 -7.755 -8.189 1.00 0.00 C ATOM 1793 CG GLN A 115 1.096 -6.923 -9.419 1.00 0.00 C ATOM 1794 CD GLN A 115 1.953 -7.762 -10.367 1.00 0.00 C ATOM 1795 OE1 GLN A 115 2.898 -8.400 -9.947 1.00 0.00 O ATOM 1796 NE2 GLN A 115 1.662 -7.789 -11.639 1.00 0.00 N ATOM 0 H GLN A 115 2.200 -6.278 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.624 -6.215 -7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.606 -8.282 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.009 -8.513 -8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.192 -6.589 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.640 -6.029 -9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.869 -7.254 -11.992 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.228 -8.345 -12.280 1.00 0.00 H new ATOM 1805 N LEU A 116 0.405 -8.063 -5.016 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.101 -8.877 -3.875 1.00 0.00 C ATOM 1807 C LEU A 116 -0.671 -7.926 -2.827 1.00 0.00 C ATOM 1808 O LEU A 116 -1.468 -8.302 -1.989 1.00 0.00 O ATOM 1809 CB LEU A 116 1.051 -9.681 -3.264 1.00 0.00 C ATOM 1810 CG LEU A 116 1.402 -10.868 -4.170 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.055 -10.371 -5.465 1.00 0.00 C ATOM 1812 CD2 LEU A 116 2.372 -11.794 -3.432 1.00 0.00 C ATOM 0 H LEU A 116 1.399 -7.838 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.871 -9.568 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.924 -9.041 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.770 -10.040 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 116 0.490 -11.409 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.299 -11.223 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.364 -9.713 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.967 -9.823 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.625 -12.640 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.279 -11.245 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.903 -12.158 -2.518 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.272 -6.685 -2.884 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.783 -5.681 -1.914 1.00 0.00 C ATOM 1826 C TRP A 117 -2.125 -5.143 -2.417 1.00 0.00 C ATOM 1827 O TRP A 117 -3.054 -4.970 -1.654 1.00 0.00 O ATOM 1828 CB TRP A 117 0.228 -4.533 -1.805 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.402 -3.346 -1.140 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.351 -3.402 -0.178 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.152 -1.934 -1.387 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.702 -2.112 0.179 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.989 -1.172 -0.539 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.713 -1.247 -2.258 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.970 0.223 -0.556 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.735 0.156 -2.277 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -0.105 0.889 -1.430 1.00 0.00 C ATOM 0 H TRP A 117 0.392 -6.322 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.919 -6.138 -0.934 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.098 -4.859 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.583 -4.256 -2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.767 -4.306 0.243 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.401 -1.883 0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.364 -1.803 -2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.618 0.784 0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.404 0.673 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -0.085 1.969 -1.452 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.257 -4.926 -3.700 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.554 -4.441 -4.237 1.00 0.00 C ATOM 1850 C LEU A 118 -4.579 -5.566 -4.106 1.00 0.00 C ATOM 1851 O LEU A 118 -5.740 -5.314 -3.853 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.375 -3.976 -5.687 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.545 -2.668 -5.705 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -1.938 -2.456 -7.098 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.430 -1.453 -5.344 1.00 0.00 C ATOM 0 H LEU A 118 -1.522 -5.064 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.915 -3.581 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.872 -4.748 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.347 -3.810 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.750 -2.757 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.355 -1.535 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.290 -3.297 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.737 -2.385 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.827 -0.545 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.240 -1.365 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.848 -1.591 -4.347 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.170 -6.807 -4.170 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.161 -7.891 -3.923 1.00 0.00 C ATOM 1869 C ALA A 119 -5.654 -7.660 -2.497 1.00 0.00 C ATOM 1870 O ALA A 119 -6.781 -7.248 -2.307 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.519 -9.272 -4.066 1.00 0.00 C ATOM 0 H ALA A 119 -3.218 -7.110 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.977 -7.866 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.267 -10.042 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.124 -9.387 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.708 -9.373 -3.345 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.861 -7.909 -1.492 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.344 -7.664 -0.099 1.00 0.00 C ATOM 1879 C ALA A 120 -6.017 -6.282 0.012 1.00 0.00 C ATOM 1880 O ALA A 120 -6.569 -5.971 1.038 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.160 -7.715 0.871 1.00 0.00 C ATOM 0 H ALA A 120 -3.909 -8.268 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 120 -6.072 -8.436 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.514 -7.536 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.689 -8.696 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.434 -6.949 0.599 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.999 -5.463 -1.027 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.680 -4.119 -0.961 1.00 0.00 C ATOM 1889 C PHE A 121 -7.973 -4.161 -1.814 1.00 0.00 C ATOM 1890 O PHE A 121 -8.905 -3.425 -1.562 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.712 -3.019 -1.461 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.653 -1.850 -0.493 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -5.329 -2.071 0.852 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.905 -0.547 -0.944 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -5.259 -0.994 1.744 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.835 0.528 -0.051 1.00 0.00 C ATOM 1897 CZ PHE A 121 -5.512 0.305 1.292 1.00 0.00 C ATOM 0 H PHE A 121 -5.542 -5.669 -1.916 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.952 -3.886 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.714 -3.440 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.035 -2.666 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -5.133 -3.074 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.153 -0.373 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -5.010 -1.166 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.031 1.532 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.458 1.136 1.980 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.055 -5.041 -2.789 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.313 -5.151 -3.615 1.00 0.00 C ATOM 1909 C ALA A 122 -10.158 -6.288 -3.053 1.00 0.00 C ATOM 1910 O ALA A 122 -11.363 -6.298 -3.211 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.998 -5.409 -5.104 1.00 0.00 C ATOM 0 H ALA A 122 -7.310 -5.687 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.856 -4.207 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.929 -5.482 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.401 -4.586 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.441 -6.341 -5.202 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.576 -7.202 -2.350 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.398 -8.272 -1.733 1.00 0.00 C ATOM 1919 C ALA A 123 -10.768 -7.758 -0.348 1.00 0.00 C ATOM 1920 O ALA A 123 -11.122 -8.504 0.538 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.571 -9.554 -1.610 1.00 0.00 C ATOM 0 H ALA A 123 -8.573 -7.259 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.282 -8.501 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.179 -10.337 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.247 -9.874 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.698 -9.365 -0.986 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.608 -6.472 -0.143 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.862 -5.897 1.202 1.00 0.00 C ATOM 1929 C LEU A 124 -12.338 -6.070 1.627 1.00 0.00 C ATOM 1930 O LEU A 124 -12.605 -6.618 2.678 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.470 -4.395 1.206 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.142 -4.190 1.963 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.616 -2.767 1.733 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.320 -4.448 3.477 1.00 0.00 C ATOM 0 H LEU A 124 -10.312 -5.802 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.250 -6.436 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.372 -4.035 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.259 -3.808 1.676 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.418 -4.907 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.678 -2.634 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.447 -2.609 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.348 -2.045 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.368 -4.296 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.061 -3.757 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.656 -5.473 3.634 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.271 -5.561 0.807 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.709 -5.629 1.127 1.00 0.00 C ATOM 1948 C PRO A 125 -15.036 -6.993 1.691 1.00 0.00 C ATOM 1949 O PRO A 125 -15.435 -7.126 2.831 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.433 -5.337 -0.205 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.364 -4.778 -1.185 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.986 -4.915 -0.496 1.00 0.00 C ATOM 0 HA PRO A 125 -15.021 -4.912 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.887 -6.244 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.237 -4.616 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.379 -5.330 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.571 -3.735 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.304 -5.518 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.515 -3.942 -0.359 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.857 -8.006 0.911 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.144 -9.373 1.405 1.00 0.00 C ATOM 1962 C GLY A 126 -13.844 -10.019 1.888 1.00 0.00 C ATOM 1963 O GLY A 126 -13.487 -11.083 1.426 1.00 0.00 O ATOM 0 H GLY A 126 -14.523 -7.951 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.868 -9.334 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.589 -9.973 0.611 1.00 0.00 H new ATOM 1967 N SER A 127 -13.207 -9.446 2.898 1.00 0.00 N ATOM 1968 CA SER A 127 -11.983 -10.117 3.478 1.00 0.00 C ATOM 1969 C SER A 127 -11.242 -9.302 4.564 1.00 0.00 C ATOM 1970 O SER A 127 -10.456 -9.884 5.281 1.00 0.00 O ATOM 1971 CB SER A 127 -10.949 -10.505 2.389 1.00 0.00 C ATOM 1972 OG SER A 127 -10.345 -11.741 2.746 1.00 0.00 O ATOM 0 H SER A 127 -13.474 -8.564 3.336 1.00 0.00 H new ATOM 0 HA SER A 127 -12.398 -11.007 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.438 -10.591 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.190 -9.728 2.296 1.00 0.00 H new ATOM 0 HG SER A 127 -9.691 -11.995 2.062 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.435 -8.008 4.734 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.634 -7.338 5.824 1.00 0.00 C ATOM 1980 C ALA A 128 -10.952 -5.832 6.006 1.00 0.00 C ATOM 1981 O ALA A 128 -10.057 -5.013 6.062 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.134 -7.509 5.508 1.00 0.00 C ATOM 0 H ALA A 128 -12.072 -7.415 4.202 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.908 -7.821 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.541 -7.030 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.889 -8.570 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.910 -7.048 4.546 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.196 -5.451 6.105 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.502 -3.993 6.307 1.00 0.00 C ATOM 1990 C LYS A 129 -13.805 -3.806 7.089 1.00 0.00 C ATOM 1991 O LYS A 129 -14.112 -4.526 8.019 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.615 -3.289 4.943 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.779 -3.852 4.096 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.667 -2.703 3.570 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.862 -1.775 2.633 1.00 0.00 C ATOM 1996 NZ LYS A 129 -14.340 -1.958 1.232 1.00 0.00 N ATOM 0 H LYS A 129 -13.006 -6.069 6.057 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.688 -3.552 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.763 -2.220 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.679 -3.405 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.383 -4.427 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.377 -4.536 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.523 -3.114 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.061 -2.128 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.984 -0.736 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.799 -2.005 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.660 -1.527 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.426 -2.973 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.268 -1.502 1.119 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.568 -2.836 6.685 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.871 -2.544 7.338 1.00 0.00 C ATOM 2012 C ASP A 130 -16.609 -1.490 6.494 1.00 0.00 C ATOM 2013 O ASP A 130 -16.512 -0.312 6.779 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.618 -1.986 8.741 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.951 -1.813 9.471 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -17.535 -0.749 9.352 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -17.364 -2.747 10.138 1.00 0.00 O ATOM 0 H ASP A 130 -14.338 -2.216 5.909 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.469 -3.452 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.970 -2.661 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.101 -1.029 8.675 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.305 -1.924 5.460 1.00 0.00 N ATOM 2023 CA PRO A 131 -18.026 -1.009 4.559 1.00 0.00 C ATOM 2024 C PRO A 131 -19.427 -0.779 5.126 1.00 0.00 C ATOM 2025 O PRO A 131 -19.995 0.288 5.003 1.00 0.00 O ATOM 2026 CB PRO A 131 -18.115 -1.806 3.252 1.00 0.00 C ATOM 2027 CG PRO A 131 -18.132 -3.295 3.688 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.455 -3.349 5.082 1.00 0.00 C ATOM 0 HA PRO A 131 -17.550 -0.037 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -19.015 -1.548 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.265 -1.595 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -19.153 -3.674 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -17.595 -3.916 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -18.067 -3.891 5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.490 -3.855 5.039 1.00 0.00 H new