USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 71 GLN : amide:sc= -1.54 K(o=-0.39,f=-3!) USER MOD Set 1.2: A 97 THR OG1 : rot 86:sc= 1.15 USER MOD Single : A 22 ASN : amide:sc= -2.95! C(o=-2.9!,f=-9.3!) USER MOD Single : A 25 GLN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.249) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -5.28! C(o=-5.3!,f=-3.6!) USER MOD Single : A 42 LYS NZ :NH3+ -106:sc= -3! (180deg=-5.77!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 1.45 (180deg=1.05) USER MOD Single : A 52 SER OG : rot 180:sc= -1.76 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 58 MET CE :methyl 179:sc= 0 (180deg=-0.00129) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-3.6!) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= -1.11 (180deg=-2.15!) USER MOD Single : A 80 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= -1.08 (180deg=-1.33) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -7.31! C(o=-7.3!,f=-3.6!) USER MOD Single : A 93 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.27) USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= -1 (180deg=-2.06!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.24) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc=-0.00568 (180deg=-0.196) USER MOD Single : A 105 TYR OH : rot 0:sc= -3.33! USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 12.193 -18.860 5.014 1.00 0.00 N ATOM 276 CA ASN A 22 11.777 -18.954 3.615 1.00 0.00 C ATOM 277 C ASN A 22 10.537 -18.111 3.372 1.00 0.00 C ATOM 278 O ASN A 22 10.591 -16.881 3.340 1.00 0.00 O ATOM 279 CB ASN A 22 11.465 -20.418 3.277 1.00 0.00 C ATOM 280 CG ASN A 22 10.928 -20.538 1.855 1.00 0.00 C ATOM 281 OD1 ASN A 22 9.717 -20.636 1.655 1.00 0.00 O ATOM 282 ND2 ASN A 22 11.760 -20.543 0.853 1.00 0.00 N ATOM 0 HA ASN A 22 12.585 -18.586 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.367 -21.021 3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.733 -20.812 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.409 -20.628 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.763 -20.462 1.022 1.00 0.00 H new ATOM 289 N ALA A 23 9.425 -18.798 3.193 1.00 0.00 N ATOM 290 CA ALA A 23 8.149 -18.149 2.939 1.00 0.00 C ATOM 291 C ALA A 23 7.698 -17.332 4.147 1.00 0.00 C ATOM 292 O ALA A 23 7.097 -16.269 4.000 1.00 0.00 O ATOM 293 CB ALA A 23 7.106 -19.217 2.630 1.00 0.00 C ATOM 0 H ALA A 23 9.378 -19.817 3.219 1.00 0.00 H new ATOM 0 HA ALA A 23 8.262 -17.471 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.144 -18.741 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.414 -19.782 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.013 -19.892 3.481 1.00 0.00 H new ATOM 299 N ALA A 24 7.984 -17.833 5.341 1.00 0.00 N ATOM 300 CA ALA A 24 7.594 -17.129 6.557 1.00 0.00 C ATOM 301 C ALA A 24 8.192 -15.725 6.568 1.00 0.00 C ATOM 302 O ALA A 24 7.484 -14.735 6.767 1.00 0.00 O ATOM 303 CB ALA A 24 8.071 -17.902 7.786 1.00 0.00 C ATOM 0 H ALA A 24 8.478 -18.712 5.494 1.00 0.00 H new ATOM 0 HA ALA A 24 6.507 -17.052 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.775 -17.368 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.622 -18.895 7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.157 -17.995 7.759 1.00 0.00 H new ATOM 309 N GLN A 25 9.499 -15.652 6.349 1.00 0.00 N ATOM 310 CA GLN A 25 10.199 -14.378 6.329 1.00 0.00 C ATOM 311 C GLN A 25 9.620 -13.457 5.257 1.00 0.00 C ATOM 312 O GLN A 25 9.534 -12.244 5.445 1.00 0.00 O ATOM 313 CB GLN A 25 11.676 -14.645 6.054 1.00 0.00 C ATOM 314 CG GLN A 25 12.460 -13.327 5.984 1.00 0.00 C ATOM 315 CD GLN A 25 13.942 -13.566 6.289 1.00 0.00 C ATOM 316 OE1 GLN A 25 14.621 -12.663 6.778 1.00 0.00 O ATOM 317 NE2 GLN A 25 14.493 -14.727 6.034 1.00 0.00 N ATOM 0 H GLN A 25 10.095 -16.463 6.183 1.00 0.00 H new ATOM 0 HA GLN A 25 10.080 -13.881 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.089 -15.279 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.784 -15.189 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.353 -12.886 4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.047 -12.613 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.935 -15.478 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.480 -14.879 6.241 1.00 0.00 H new ATOM 326 N VAL A 26 9.216 -14.046 4.135 1.00 0.00 N ATOM 327 CA VAL A 26 8.638 -13.275 3.039 1.00 0.00 C ATOM 328 C VAL A 26 7.344 -12.603 3.498 1.00 0.00 C ATOM 329 O VAL A 26 7.260 -11.379 3.568 1.00 0.00 O ATOM 330 CB VAL A 26 8.365 -14.208 1.838 1.00 0.00 C ATOM 331 CG1 VAL A 26 7.252 -13.646 0.942 1.00 0.00 C ATOM 332 CG2 VAL A 26 9.640 -14.366 1.009 1.00 0.00 C ATOM 0 H VAL A 26 9.278 -15.049 3.961 1.00 0.00 H new ATOM 0 HA VAL A 26 9.340 -12.500 2.732 1.00 0.00 H new ATOM 0 HB VAL A 26 8.046 -15.175 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.082 -14.323 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.334 -13.547 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.549 -12.668 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.444 -15.025 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.959 -13.390 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.426 -14.796 1.629 1.00 0.00 H new ATOM 342 N LYS A 27 6.335 -13.420 3.791 1.00 0.00 N ATOM 343 CA LYS A 27 5.038 -12.908 4.225 1.00 0.00 C ATOM 344 C LYS A 27 5.197 -11.700 5.141 1.00 0.00 C ATOM 345 O LYS A 27 4.635 -10.636 4.881 1.00 0.00 O ATOM 346 CB LYS A 27 4.266 -14.005 4.956 1.00 0.00 C ATOM 347 CG LYS A 27 3.932 -15.145 3.986 1.00 0.00 C ATOM 348 CD LYS A 27 2.819 -16.016 4.575 1.00 0.00 C ATOM 349 CE LYS A 27 3.244 -16.531 5.951 1.00 0.00 C ATOM 350 NZ LYS A 27 2.343 -17.642 6.365 1.00 0.00 N ATOM 0 H LYS A 27 6.390 -14.437 3.736 1.00 0.00 H new ATOM 0 HA LYS A 27 4.486 -12.595 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.859 -14.386 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.349 -13.596 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.618 -14.737 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.820 -15.749 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.898 -15.439 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.609 -16.854 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.276 -16.879 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.203 -15.724 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.632 -17.993 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.364 -17.295 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.404 -18.415 5.672 1.00 0.00 H new ATOM 364 N ASP A 28 5.967 -11.865 6.209 1.00 0.00 N ATOM 365 CA ASP A 28 6.186 -10.770 7.145 1.00 0.00 C ATOM 366 C ASP A 28 6.771 -9.564 6.416 1.00 0.00 C ATOM 367 O ASP A 28 6.507 -8.417 6.777 1.00 0.00 O ATOM 368 CB ASP A 28 7.143 -11.212 8.253 1.00 0.00 C ATOM 369 CG ASP A 28 6.575 -12.427 8.979 1.00 0.00 C ATOM 370 OD1 ASP A 28 5.543 -12.283 9.614 1.00 0.00 O ATOM 371 OD2 ASP A 28 7.179 -13.482 8.888 1.00 0.00 O ATOM 0 H ASP A 28 6.445 -12.734 6.447 1.00 0.00 H new ATOM 0 HA ASP A 28 5.229 -10.491 7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.117 -11.454 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.297 -10.396 8.959 1.00 0.00 H new ATOM 376 N ALA A 29 7.571 -9.838 5.392 1.00 0.00 N ATOM 377 CA ALA A 29 8.205 -8.777 4.618 1.00 0.00 C ATOM 378 C ALA A 29 7.221 -8.115 3.656 1.00 0.00 C ATOM 379 O ALA A 29 7.444 -6.985 3.221 1.00 0.00 O ATOM 380 CB ALA A 29 9.383 -9.347 3.827 1.00 0.00 C ATOM 0 H ALA A 29 7.796 -10.782 5.079 1.00 0.00 H new ATOM 0 HA ALA A 29 8.556 -8.019 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.853 -8.551 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.111 -9.775 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.025 -10.123 3.150 1.00 0.00 H new ATOM 386 N LEU A 30 6.132 -8.808 3.318 1.00 0.00 N ATOM 387 CA LEU A 30 5.151 -8.238 2.400 1.00 0.00 C ATOM 388 C LEU A 30 4.258 -7.239 3.127 1.00 0.00 C ATOM 389 O LEU A 30 4.043 -6.123 2.649 1.00 0.00 O ATOM 390 CB LEU A 30 4.296 -9.344 1.778 1.00 0.00 C ATOM 391 CG LEU A 30 5.188 -10.365 1.057 1.00 0.00 C ATOM 392 CD1 LEU A 30 4.311 -11.503 0.539 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.921 -9.702 -0.124 1.00 0.00 C ATOM 0 H LEU A 30 5.912 -9.744 3.658 1.00 0.00 H new ATOM 0 HA LEU A 30 5.687 -7.718 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.714 -9.843 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.585 -8.911 1.074 1.00 0.00 H new ATOM 0 HG LEU A 30 5.932 -10.749 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.932 -12.236 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.804 -11.982 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.570 -11.105 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.549 -10.440 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.191 -9.309 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.543 -8.887 0.245 1.00 0.00 H new ATOM 405 N THR A 31 3.751 -7.633 4.288 1.00 0.00 N ATOM 406 CA THR A 31 2.900 -6.741 5.059 1.00 0.00 C ATOM 407 C THR A 31 3.710 -5.545 5.523 1.00 0.00 C ATOM 408 O THR A 31 3.171 -4.462 5.748 1.00 0.00 O ATOM 409 CB THR A 31 2.320 -7.470 6.266 1.00 0.00 C ATOM 410 OG1 THR A 31 1.545 -6.563 7.038 1.00 0.00 O ATOM 411 CG2 THR A 31 3.458 -8.027 7.118 1.00 0.00 C ATOM 0 H THR A 31 3.911 -8.548 4.709 1.00 0.00 H new ATOM 0 HA THR A 31 2.078 -6.404 4.428 1.00 0.00 H new ATOM 0 HB THR A 31 1.687 -8.290 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.170 -7.031 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.045 -8.548 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.051 -8.722 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.092 -7.208 7.458 1.00 0.00 H new ATOM 419 N LYS A 32 5.018 -5.746 5.644 1.00 0.00 N ATOM 420 CA LYS A 32 5.910 -4.671 6.059 1.00 0.00 C ATOM 421 C LYS A 32 5.624 -3.439 5.212 1.00 0.00 C ATOM 422 O LYS A 32 5.267 -2.381 5.730 1.00 0.00 O ATOM 423 CB LYS A 32 7.371 -5.107 5.881 1.00 0.00 C ATOM 424 CG LYS A 32 8.294 -4.238 6.748 1.00 0.00 C ATOM 425 CD LYS A 32 8.255 -2.777 6.266 1.00 0.00 C ATOM 426 CE LYS A 32 9.537 -2.052 6.691 1.00 0.00 C ATOM 427 NZ LYS A 32 9.714 -2.177 8.166 1.00 0.00 N ATOM 0 H LYS A 32 5.481 -6.637 5.462 1.00 0.00 H new ATOM 0 HA LYS A 32 5.743 -4.438 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.481 -6.156 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.658 -5.022 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.983 -4.293 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.315 -4.618 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.152 -2.746 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.385 -2.270 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.397 -2.478 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.484 -1.001 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.385 -1.455 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.798 -2.041 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.083 -3.123 8.392 1.00 0.00 H new ATOM 441 N MET A 33 5.755 -3.598 3.899 1.00 0.00 N ATOM 442 CA MET A 33 5.481 -2.501 2.984 1.00 0.00 C ATOM 443 C MET A 33 4.039 -2.045 3.171 1.00 0.00 C ATOM 444 O MET A 33 3.781 -0.881 3.471 1.00 0.00 O ATOM 445 CB MET A 33 5.703 -2.952 1.537 1.00 0.00 C ATOM 446 CG MET A 33 7.205 -3.032 1.248 1.00 0.00 C ATOM 447 SD MET A 33 7.468 -3.757 -0.389 1.00 0.00 S ATOM 448 CE MET A 33 7.558 -5.486 0.137 1.00 0.00 C ATOM 0 H MET A 33 6.046 -4.467 3.450 1.00 0.00 H new ATOM 0 HA MET A 33 6.158 -1.674 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.239 -3.925 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.227 -2.252 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.648 -2.037 1.292 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.701 -3.635 2.008 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.720 -6.123 -0.733 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.384 -5.611 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.624 -5.767 0.624 1.00 0.00 H new ATOM 458 N ARG A 34 3.102 -2.976 3.003 1.00 0.00 N ATOM 459 CA ARG A 34 1.682 -2.669 3.169 1.00 0.00 C ATOM 460 C ARG A 34 1.459 -1.704 4.332 1.00 0.00 C ATOM 461 O ARG A 34 1.060 -0.557 4.134 1.00 0.00 O ATOM 462 CB ARG A 34 0.906 -3.956 3.444 1.00 0.00 C ATOM 463 CG ARG A 34 -0.597 -3.698 3.298 1.00 0.00 C ATOM 464 CD ARG A 34 -1.360 -5.024 3.406 1.00 0.00 C ATOM 465 NE ARG A 34 -2.738 -4.776 3.816 1.00 0.00 N ATOM 466 CZ ARG A 34 -3.041 -4.507 5.081 1.00 0.00 C ATOM 467 NH1 ARG A 34 -2.098 -4.467 5.982 1.00 0.00 N ATOM 468 NH2 ARG A 34 -4.280 -4.285 5.422 1.00 0.00 N ATOM 0 H ARG A 34 3.299 -3.945 2.753 1.00 0.00 H new ATOM 0 HA ARG A 34 1.330 -2.202 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.219 -4.736 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.126 -4.317 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.935 -3.009 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.803 -3.225 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.345 -5.541 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.869 -5.677 4.127 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.482 -4.810 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.129 -4.642 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.329 -4.261 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.017 -4.318 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.512 -4.078 6.393 1.00 0.00 H new ATOM 482 N ALA A 35 1.716 -2.183 5.546 1.00 0.00 N ATOM 483 CA ALA A 35 1.535 -1.360 6.736 1.00 0.00 C ATOM 484 C ALA A 35 2.236 -0.014 6.573 1.00 0.00 C ATOM 485 O ALA A 35 1.857 0.973 7.203 1.00 0.00 O ATOM 486 CB ALA A 35 2.095 -2.083 7.961 1.00 0.00 C ATOM 0 H ALA A 35 2.048 -3.130 5.730 1.00 0.00 H new ATOM 0 HA ALA A 35 0.468 -1.185 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.956 -1.461 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.571 -3.029 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.158 -2.275 7.816 1.00 0.00 H new ATOM 492 N ALA A 36 3.254 0.020 5.718 1.00 0.00 N ATOM 493 CA ALA A 36 3.994 1.253 5.478 1.00 0.00 C ATOM 494 C ALA A 36 3.205 2.151 4.534 1.00 0.00 C ATOM 495 O ALA A 36 3.090 3.355 4.757 1.00 0.00 O ATOM 496 CB ALA A 36 5.377 0.938 4.883 1.00 0.00 C ATOM 0 H ALA A 36 3.583 -0.785 5.184 1.00 0.00 H new ATOM 0 HA ALA A 36 4.136 1.772 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.919 1.868 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.939 0.315 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.255 0.407 3.939 1.00 0.00 H new ATOM 502 N ALA A 37 2.649 1.549 3.488 1.00 0.00 N ATOM 503 CA ALA A 37 1.856 2.303 2.533 1.00 0.00 C ATOM 504 C ALA A 37 0.753 3.048 3.269 1.00 0.00 C ATOM 505 O ALA A 37 0.539 4.241 3.048 1.00 0.00 O ATOM 506 CB ALA A 37 1.241 1.361 1.496 1.00 0.00 C ATOM 0 H ALA A 37 2.733 0.553 3.284 1.00 0.00 H new ATOM 0 HA ALA A 37 2.500 3.017 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.649 1.938 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.035 0.837 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.600 0.636 1.998 1.00 0.00 H new ATOM 512 N LEU A 38 0.062 2.339 4.158 1.00 0.00 N ATOM 513 CA LEU A 38 -1.011 2.956 4.935 1.00 0.00 C ATOM 514 C LEU A 38 -0.447 4.034 5.858 1.00 0.00 C ATOM 515 O LEU A 38 -1.065 5.082 6.073 1.00 0.00 O ATOM 516 CB LEU A 38 -1.725 1.898 5.777 1.00 0.00 C ATOM 517 CG LEU A 38 -2.253 0.775 4.874 1.00 0.00 C ATOM 518 CD1 LEU A 38 -2.622 -0.436 5.735 1.00 0.00 C ATOM 519 CD2 LEU A 38 -3.497 1.246 4.105 1.00 0.00 C ATOM 0 H LEU A 38 0.222 1.351 4.357 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.719 3.410 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.039 1.488 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.550 2.354 6.325 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.476 0.503 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.997 -1.236 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.739 -0.784 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.393 -0.152 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.859 0.438 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.277 1.528 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.239 2.106 3.487 1.00 0.00 H new ATOM 531 N ASP A 39 0.732 3.768 6.404 1.00 0.00 N ATOM 532 CA ASP A 39 1.373 4.717 7.301 1.00 0.00 C ATOM 533 C ASP A 39 1.620 6.039 6.581 1.00 0.00 C ATOM 534 O ASP A 39 1.083 7.080 6.961 1.00 0.00 O ATOM 535 CB ASP A 39 2.702 4.139 7.809 1.00 0.00 C ATOM 536 CG ASP A 39 3.122 4.820 9.107 1.00 0.00 C ATOM 537 OD1 ASP A 39 2.326 4.834 10.032 1.00 0.00 O ATOM 538 OD2 ASP A 39 4.235 5.315 9.160 1.00 0.00 O ATOM 0 H ASP A 39 1.260 2.910 6.243 1.00 0.00 H new ATOM 0 HA ASP A 39 0.715 4.899 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.600 3.066 7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.476 4.275 7.054 1.00 0.00 H new ATOM 543 N ALA A 40 2.433 5.986 5.534 1.00 0.00 N ATOM 544 CA ALA A 40 2.748 7.180 4.761 1.00 0.00 C ATOM 545 C ALA A 40 1.475 7.921 4.362 1.00 0.00 C ATOM 546 O ALA A 40 1.340 9.121 4.604 1.00 0.00 O ATOM 547 CB ALA A 40 3.536 6.787 3.506 1.00 0.00 C ATOM 0 H ALA A 40 2.884 5.134 5.202 1.00 0.00 H new ATOM 0 HA ALA A 40 3.352 7.844 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.771 7.681 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.461 6.290 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.937 6.110 2.898 1.00 0.00 H new ATOM 553 N GLN A 41 0.547 7.190 3.756 1.00 0.00 N ATOM 554 CA GLN A 41 -0.717 7.746 3.312 1.00 0.00 C ATOM 555 C GLN A 41 -1.230 8.795 4.291 1.00 0.00 C ATOM 556 O GLN A 41 -1.536 9.920 3.899 1.00 0.00 O ATOM 557 CB GLN A 41 -1.701 6.583 3.171 1.00 0.00 C ATOM 558 CG GLN A 41 -3.161 7.043 3.217 1.00 0.00 C ATOM 559 CD GLN A 41 -4.053 5.854 2.899 1.00 0.00 C ATOM 560 OE1 GLN A 41 -5.278 5.954 2.967 1.00 0.00 O ATOM 561 NE2 GLN A 41 -3.498 4.721 2.552 1.00 0.00 N ATOM 0 H GLN A 41 0.654 6.195 3.560 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.596 8.254 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.516 6.066 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.525 5.863 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.401 7.443 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.328 7.845 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.482 4.646 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.081 3.913 2.336 1.00 0.00 H new ATOM 570 N LYS A 42 -1.315 8.426 5.564 1.00 0.00 N ATOM 571 CA LYS A 42 -1.801 9.373 6.573 1.00 0.00 C ATOM 572 C LYS A 42 -1.355 8.983 7.981 1.00 0.00 C ATOM 573 O LYS A 42 -2.185 8.668 8.834 1.00 0.00 O ATOM 574 CB LYS A 42 -3.340 9.447 6.535 1.00 0.00 C ATOM 575 CG LYS A 42 -3.822 10.283 5.335 1.00 0.00 C ATOM 576 CD LYS A 42 -5.274 10.716 5.562 1.00 0.00 C ATOM 577 CE LYS A 42 -6.170 9.479 5.675 1.00 0.00 C ATOM 578 NZ LYS A 42 -6.035 8.891 7.038 1.00 0.00 N ATOM 0 H LYS A 42 -1.062 7.504 5.920 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.373 10.347 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.755 8.441 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.710 9.887 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.186 11.159 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.745 9.699 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.347 11.314 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.609 11.346 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.209 9.750 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.890 8.744 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.471 8.019 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.562 9.573 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.978 8.671 7.416 1.00 0.00 H new ATOM 592 N ALA A 43 -0.052 9.038 8.231 1.00 0.00 N ATOM 593 CA ALA A 43 0.470 8.718 9.562 1.00 0.00 C ATOM 594 C ALA A 43 1.789 9.442 9.813 1.00 0.00 C ATOM 595 O ALA A 43 1.910 10.207 10.769 1.00 0.00 O ATOM 596 CB ALA A 43 0.666 7.211 9.713 1.00 0.00 C ATOM 0 H ALA A 43 0.656 9.297 7.544 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.258 9.054 10.300 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.054 6.992 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.289 6.704 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.373 6.859 8.962 1.00 0.00 H new ATOM 602 N THR A 44 2.775 9.196 8.949 1.00 0.00 N ATOM 603 CA THR A 44 4.092 9.832 9.082 1.00 0.00 C ATOM 604 C THR A 44 4.400 10.710 7.857 1.00 0.00 C ATOM 605 O THR A 44 5.070 10.273 6.927 1.00 0.00 O ATOM 606 CB THR A 44 5.178 8.751 9.275 1.00 0.00 C ATOM 607 OG1 THR A 44 6.382 9.375 9.696 1.00 0.00 O ATOM 608 CG2 THR A 44 5.448 7.963 7.978 1.00 0.00 C ATOM 0 H THR A 44 2.690 8.565 8.152 1.00 0.00 H new ATOM 0 HA THR A 44 4.084 10.479 9.959 1.00 0.00 H new ATOM 0 HB THR A 44 4.819 8.047 10.026 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.076 8.695 9.822 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.218 7.214 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.532 7.469 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.785 8.648 7.200 1.00 0.00 H new ATOM 616 N PRO A 45 3.922 11.943 7.832 1.00 0.00 N ATOM 617 CA PRO A 45 4.163 12.867 6.685 1.00 0.00 C ATOM 618 C PRO A 45 5.556 12.678 6.074 1.00 0.00 C ATOM 619 O PRO A 45 6.545 13.177 6.611 1.00 0.00 O ATOM 620 CB PRO A 45 4.015 14.238 7.336 1.00 0.00 C ATOM 621 CG PRO A 45 2.936 14.040 8.351 1.00 0.00 C ATOM 622 CD PRO A 45 3.110 12.606 8.880 1.00 0.00 C ATOM 0 HA PRO A 45 3.482 12.703 5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.946 14.562 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.742 15.000 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.022 14.767 9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.951 14.174 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.615 12.594 9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.149 12.110 9.016 1.00 0.00 H new ATOM 630 N PRO A 46 5.658 11.952 4.981 1.00 0.00 N ATOM 631 CA PRO A 46 6.961 11.679 4.315 1.00 0.00 C ATOM 632 C PRO A 46 7.358 12.776 3.327 1.00 0.00 C ATOM 633 O PRO A 46 7.835 13.838 3.725 1.00 0.00 O ATOM 634 CB PRO A 46 6.685 10.355 3.600 1.00 0.00 C ATOM 635 CG PRO A 46 5.249 10.453 3.183 1.00 0.00 C ATOM 636 CD PRO A 46 4.546 11.310 4.250 1.00 0.00 C ATOM 0 HA PRO A 46 7.796 11.642 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.341 10.223 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.850 9.504 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.161 10.910 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.795 9.464 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.886 12.050 3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.933 10.699 4.912 1.00 0.00 H new ATOM 644 N LYS A 47 7.157 12.510 2.040 1.00 0.00 N ATOM 645 CA LYS A 47 7.498 13.478 1.010 1.00 0.00 C ATOM 646 C LYS A 47 6.443 14.574 0.949 1.00 0.00 C ATOM 647 O LYS A 47 6.651 15.614 0.327 1.00 0.00 O ATOM 648 CB LYS A 47 7.600 12.783 -0.351 1.00 0.00 C ATOM 649 CG LYS A 47 8.347 11.457 -0.194 1.00 0.00 C ATOM 650 CD LYS A 47 9.733 11.713 0.405 1.00 0.00 C ATOM 651 CE LYS A 47 10.618 10.484 0.197 1.00 0.00 C ATOM 652 NZ LYS A 47 11.942 10.709 0.842 1.00 0.00 N ATOM 0 H LYS A 47 6.762 11.637 1.690 1.00 0.00 H new ATOM 0 HA LYS A 47 8.461 13.925 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.604 12.605 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.122 13.425 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.781 10.784 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.444 10.966 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.188 12.585 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.645 11.934 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.139 9.602 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.748 10.293 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.544 9.873 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.399 11.541 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.809 10.871 1.861 1.00 0.00 H new ATOM 666 N LEU A 48 5.307 14.330 1.595 1.00 0.00 N ATOM 667 CA LEU A 48 4.224 15.311 1.600 1.00 0.00 C ATOM 668 C LEU A 48 4.478 16.388 2.651 1.00 0.00 C ATOM 669 O LEU A 48 3.537 16.953 3.209 1.00 0.00 O ATOM 670 CB LEU A 48 2.881 14.626 1.885 1.00 0.00 C ATOM 671 CG LEU A 48 2.804 13.283 1.146 1.00 0.00 C ATOM 672 CD1 LEU A 48 1.499 12.571 1.513 1.00 0.00 C ATOM 673 CD2 LEU A 48 2.848 13.524 -0.368 1.00 0.00 C ATOM 0 H LEU A 48 5.112 13.475 2.115 1.00 0.00 H new ATOM 0 HA LEU A 48 4.188 15.777 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.766 14.467 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.061 15.271 1.569 1.00 0.00 H new ATOM 0 HG LEU A 48 3.651 12.662 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.445 11.617 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.470 12.395 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.652 13.193 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.793 12.569 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.003 14.147 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.779 14.027 -0.629 1.00 0.00 H new ATOM 685 N GLU A 49 5.748 16.675 2.918 1.00 0.00 N ATOM 686 CA GLU A 49 6.089 17.693 3.904 1.00 0.00 C ATOM 687 C GLU A 49 5.461 19.028 3.516 1.00 0.00 C ATOM 688 O GLU A 49 5.251 19.898 4.360 1.00 0.00 O ATOM 689 CB GLU A 49 7.614 17.837 4.025 1.00 0.00 C ATOM 690 CG GLU A 49 8.203 18.452 2.748 1.00 0.00 C ATOM 691 CD GLU A 49 7.814 17.619 1.532 1.00 0.00 C ATOM 692 OE1 GLU A 49 6.777 17.900 0.953 1.00 0.00 O ATOM 693 OE2 GLU A 49 8.558 16.713 1.197 1.00 0.00 O ATOM 0 H GLU A 49 6.547 16.224 2.473 1.00 0.00 H new ATOM 0 HA GLU A 49 5.695 17.386 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.858 18.464 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.063 16.861 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.842 19.474 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.289 18.505 2.829 1.00 0.00 H new ATOM 700 N ASP A 50 5.163 19.177 2.228 1.00 0.00 N ATOM 701 CA ASP A 50 4.557 20.404 1.727 1.00 0.00 C ATOM 702 C ASP A 50 3.862 20.153 0.392 1.00 0.00 C ATOM 703 O ASP A 50 3.937 20.976 -0.520 1.00 0.00 O ATOM 704 CB ASP A 50 5.629 21.480 1.550 1.00 0.00 C ATOM 705 CG ASP A 50 4.977 22.811 1.188 1.00 0.00 C ATOM 706 OD1 ASP A 50 4.511 23.485 2.091 1.00 0.00 O ATOM 707 OD2 ASP A 50 4.952 23.135 0.012 1.00 0.00 O ATOM 0 H ASP A 50 5.331 18.466 1.516 1.00 0.00 H new ATOM 0 HA ASP A 50 3.816 20.743 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.205 21.586 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.328 21.183 0.768 1.00 0.00 H new ATOM 712 N LYS A 51 3.180 19.012 0.283 1.00 0.00 N ATOM 713 CA LYS A 51 2.464 18.654 -0.944 1.00 0.00 C ATOM 714 C LYS A 51 1.091 18.094 -0.596 1.00 0.00 C ATOM 715 O LYS A 51 0.686 17.064 -1.122 1.00 0.00 O ATOM 716 CB LYS A 51 3.255 17.605 -1.745 1.00 0.00 C ATOM 717 CG LYS A 51 4.759 17.967 -1.773 1.00 0.00 C ATOM 718 CD LYS A 51 5.421 17.466 -3.073 1.00 0.00 C ATOM 719 CE LYS A 51 5.570 15.938 -3.044 1.00 0.00 C ATOM 720 NZ LYS A 51 6.845 15.579 -2.362 1.00 0.00 N ATOM 0 H LYS A 51 3.108 18.320 1.029 1.00 0.00 H new ATOM 0 HA LYS A 51 2.351 19.552 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.120 16.620 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.869 17.549 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.879 19.047 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.260 17.525 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.820 17.763 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.400 17.931 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.726 15.489 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.563 15.541 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.278 14.764 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.497 16.388 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.651 15.334 -1.370 1.00 0.00 H new ATOM 734 N SER A 52 0.398 18.780 0.308 1.00 0.00 N ATOM 735 CA SER A 52 -0.928 18.356 0.755 1.00 0.00 C ATOM 736 C SER A 52 -1.817 17.948 -0.435 1.00 0.00 C ATOM 737 O SER A 52 -1.376 17.989 -1.581 1.00 0.00 O ATOM 738 CB SER A 52 -1.575 19.497 1.561 1.00 0.00 C ATOM 739 OG SER A 52 -2.112 18.976 2.769 1.00 0.00 O ATOM 0 H SER A 52 0.734 19.637 0.748 1.00 0.00 H new ATOM 0 HA SER A 52 -0.824 17.477 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.835 20.267 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.362 19.970 0.974 1.00 0.00 H new ATOM 0 HG SER A 52 -2.523 19.702 3.284 1.00 0.00 H new ATOM 745 N PRO A 53 -3.048 17.541 -0.176 1.00 0.00 N ATOM 746 CA PRO A 53 -4.007 17.100 -1.248 1.00 0.00 C ATOM 747 C PRO A 53 -4.267 18.171 -2.316 1.00 0.00 C ATOM 748 O PRO A 53 -5.394 18.332 -2.783 1.00 0.00 O ATOM 749 CB PRO A 53 -5.299 16.766 -0.477 1.00 0.00 C ATOM 750 CG PRO A 53 -4.862 16.524 0.931 1.00 0.00 C ATOM 751 CD PRO A 53 -3.666 17.444 1.160 1.00 0.00 C ATOM 0 HA PRO A 53 -3.604 16.258 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.014 17.587 -0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.790 15.887 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.666 16.746 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.586 15.480 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.976 18.421 1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.975 17.029 1.893 1.00 0.00 H new ATOM 759 N ASP A 54 -3.220 18.890 -2.695 1.00 0.00 N ATOM 760 CA ASP A 54 -3.324 19.942 -3.708 1.00 0.00 C ATOM 761 C ASP A 54 -2.773 19.438 -5.036 1.00 0.00 C ATOM 762 O ASP A 54 -3.499 19.319 -6.024 1.00 0.00 O ATOM 763 CB ASP A 54 -2.523 21.166 -3.262 1.00 0.00 C ATOM 764 CG ASP A 54 -2.713 22.305 -4.258 1.00 0.00 C ATOM 765 OD1 ASP A 54 -3.698 23.014 -4.136 1.00 0.00 O ATOM 766 OD2 ASP A 54 -1.872 22.451 -5.129 1.00 0.00 O ATOM 0 H ASP A 54 -2.281 18.766 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.372 20.215 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.847 21.481 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.466 20.911 -3.186 1.00 0.00 H new ATOM 771 N SER A 55 -1.480 19.130 -5.037 1.00 0.00 N ATOM 772 CA SER A 55 -0.815 18.620 -6.229 1.00 0.00 C ATOM 773 C SER A 55 -1.262 17.176 -6.474 1.00 0.00 C ATOM 774 O SER A 55 -2.137 16.675 -5.768 1.00 0.00 O ATOM 775 CB SER A 55 0.710 18.709 -6.018 1.00 0.00 C ATOM 776 OG SER A 55 0.975 19.640 -4.978 1.00 0.00 O ATOM 0 H SER A 55 -0.872 19.225 -4.224 1.00 0.00 H new ATOM 0 HA SER A 55 -1.080 19.210 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.113 17.730 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.201 19.023 -6.939 1.00 0.00 H new ATOM 0 HG SER A 55 1.942 19.703 -4.834 1.00 0.00 H new ATOM 782 N PRO A 56 -0.695 16.492 -7.438 1.00 0.00 N ATOM 783 CA PRO A 56 -1.072 15.076 -7.735 1.00 0.00 C ATOM 784 C PRO A 56 -0.925 14.163 -6.511 1.00 0.00 C ATOM 785 O PRO A 56 -1.029 12.942 -6.627 1.00 0.00 O ATOM 786 CB PRO A 56 -0.104 14.669 -8.860 1.00 0.00 C ATOM 787 CG PRO A 56 0.311 15.958 -9.492 1.00 0.00 C ATOM 788 CD PRO A 56 0.355 16.974 -8.354 1.00 0.00 C ATOM 0 HA PRO A 56 -2.120 14.982 -8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.756 14.127 -8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.590 14.013 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.285 15.864 -9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.396 16.263 -10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.332 16.997 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.150 17.985 -8.707 1.00 0.00 H new ATOM 796 N GLU A 57 -0.685 14.760 -5.340 1.00 0.00 N ATOM 797 CA GLU A 57 -0.530 13.990 -4.109 1.00 0.00 C ATOM 798 C GLU A 57 -1.534 12.848 -4.063 1.00 0.00 C ATOM 799 O GLU A 57 -1.157 11.685 -3.991 1.00 0.00 O ATOM 800 CB GLU A 57 -0.737 14.902 -2.888 1.00 0.00 C ATOM 801 CG GLU A 57 -0.828 14.063 -1.598 1.00 0.00 C ATOM 802 CD GLU A 57 -0.874 14.969 -0.374 1.00 0.00 C ATOM 803 OE1 GLU A 57 -1.962 15.384 -0.013 1.00 0.00 O ATOM 804 OE2 GLU A 57 0.173 15.220 0.194 1.00 0.00 O ATOM 0 H GLU A 57 -0.595 15.769 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 57 0.478 13.576 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.088 15.610 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.648 15.487 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.719 13.436 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.030 13.394 -1.531 1.00 0.00 H new ATOM 811 N MET A 58 -2.812 13.199 -4.081 1.00 0.00 N ATOM 812 CA MET A 58 -3.865 12.199 -4.019 1.00 0.00 C ATOM 813 C MET A 58 -3.740 11.200 -5.163 1.00 0.00 C ATOM 814 O MET A 58 -3.909 9.997 -4.968 1.00 0.00 O ATOM 815 CB MET A 58 -5.234 12.867 -4.070 1.00 0.00 C ATOM 816 CG MET A 58 -5.290 14.017 -3.054 1.00 0.00 C ATOM 817 SD MET A 58 -6.890 14.855 -3.183 1.00 0.00 S ATOM 818 CE MET A 58 -7.813 13.758 -2.079 1.00 0.00 C ATOM 0 H MET A 58 -3.142 14.162 -4.138 1.00 0.00 H new ATOM 0 HA MET A 58 -3.760 11.662 -3.076 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.426 13.247 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.013 12.137 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.149 13.632 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.481 14.723 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.842 14.107 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.804 12.745 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.349 13.761 -1.093 1.00 0.00 H new ATOM 828 N LYS A 59 -3.442 11.703 -6.355 1.00 0.00 N ATOM 829 CA LYS A 59 -3.298 10.836 -7.518 1.00 0.00 C ATOM 830 C LYS A 59 -2.154 9.856 -7.302 1.00 0.00 C ATOM 831 O LYS A 59 -2.257 8.676 -7.642 1.00 0.00 O ATOM 832 CB LYS A 59 -3.026 11.678 -8.771 1.00 0.00 C ATOM 833 CG LYS A 59 -4.264 12.524 -9.125 1.00 0.00 C ATOM 834 CD LYS A 59 -5.229 11.708 -9.993 1.00 0.00 C ATOM 835 CE LYS A 59 -6.427 12.578 -10.379 1.00 0.00 C ATOM 836 NZ LYS A 59 -7.190 11.915 -11.474 1.00 0.00 N ATOM 0 H LYS A 59 -3.297 12.695 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.224 10.278 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.169 12.329 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.771 11.027 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.767 12.846 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.958 13.425 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.719 11.354 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.567 10.826 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.072 12.732 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.087 13.562 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.004 12.506 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.572 11.790 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.527 10.986 -11.149 1.00 0.00 H new ATOM 850 N ASP A 60 -1.065 10.352 -6.729 1.00 0.00 N ATOM 851 CA ASP A 60 0.096 9.517 -6.465 1.00 0.00 C ATOM 852 C ASP A 60 -0.135 8.660 -5.228 1.00 0.00 C ATOM 853 O ASP A 60 0.355 7.538 -5.143 1.00 0.00 O ATOM 854 CB ASP A 60 1.326 10.395 -6.263 1.00 0.00 C ATOM 855 CG ASP A 60 2.587 9.538 -6.254 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.458 8.327 -6.324 1.00 0.00 O ATOM 857 OD2 ASP A 60 3.663 10.107 -6.176 1.00 0.00 O ATOM 0 H ASP A 60 -0.963 11.325 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 60 0.256 8.860 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.387 11.137 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.242 10.941 -5.324 1.00 0.00 H new ATOM 862 N PHE A 61 -0.902 9.184 -4.278 1.00 0.00 N ATOM 863 CA PHE A 61 -1.200 8.431 -3.064 1.00 0.00 C ATOM 864 C PHE A 61 -2.212 7.347 -3.410 1.00 0.00 C ATOM 865 O PHE A 61 -1.879 6.162 -3.405 1.00 0.00 O ATOM 866 CB PHE A 61 -1.723 9.369 -1.931 1.00 0.00 C ATOM 867 CG PHE A 61 -2.826 8.702 -1.115 1.00 0.00 C ATOM 868 CD1 PHE A 61 -2.679 7.379 -0.674 1.00 0.00 C ATOM 869 CD2 PHE A 61 -4.003 9.404 -0.825 1.00 0.00 C ATOM 870 CE1 PHE A 61 -3.704 6.763 0.047 1.00 0.00 C ATOM 871 CE2 PHE A 61 -5.030 8.785 -0.104 1.00 0.00 C ATOM 872 CZ PHE A 61 -4.881 7.466 0.330 1.00 0.00 C ATOM 0 H PHE A 61 -1.323 10.112 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.290 7.968 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.897 9.642 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.101 10.293 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.772 6.836 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.118 10.425 -1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.589 5.744 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.938 9.327 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.675 6.988 0.885 1.00 0.00 H new ATOM 882 N ARG A 62 -3.451 7.752 -3.698 1.00 0.00 N ATOM 883 CA ARG A 62 -4.489 6.785 -4.032 1.00 0.00 C ATOM 884 C ARG A 62 -3.924 5.686 -4.929 1.00 0.00 C ATOM 885 O ARG A 62 -4.219 4.506 -4.758 1.00 0.00 O ATOM 886 CB ARG A 62 -5.655 7.496 -4.716 1.00 0.00 C ATOM 887 CG ARG A 62 -6.428 8.318 -3.662 1.00 0.00 C ATOM 888 CD ARG A 62 -7.123 9.507 -4.321 1.00 0.00 C ATOM 889 NE ARG A 62 -8.200 9.045 -5.191 1.00 0.00 N ATOM 890 CZ ARG A 62 -9.035 9.903 -5.769 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.896 11.185 -5.569 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.992 9.462 -6.538 1.00 0.00 N ATOM 0 H ARG A 62 -3.753 8.726 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.852 6.320 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.286 8.149 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.317 6.768 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.165 7.686 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.742 8.670 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.524 10.172 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.401 10.084 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.314 8.045 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.146 11.529 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.537 11.843 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.099 8.460 -6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.633 10.119 -6.982 1.00 0.00 H new ATOM 906 N HIS A 63 -3.073 6.055 -5.867 1.00 0.00 N ATOM 907 CA HIS A 63 -2.480 5.049 -6.729 1.00 0.00 C ATOM 908 C HIS A 63 -1.274 4.416 -6.060 1.00 0.00 C ATOM 909 O HIS A 63 -1.258 3.220 -5.806 1.00 0.00 O ATOM 910 CB HIS A 63 -2.055 5.663 -8.053 1.00 0.00 C ATOM 911 CG HIS A 63 -1.739 4.574 -9.042 1.00 0.00 C ATOM 912 ND1 HIS A 63 -2.422 3.368 -9.057 1.00 0.00 N ATOM 913 CD2 HIS A 63 -0.816 4.495 -10.055 1.00 0.00 C ATOM 914 CE1 HIS A 63 -1.905 2.622 -10.051 1.00 0.00 C ATOM 915 NE2 HIS A 63 -0.923 3.262 -10.692 1.00 0.00 N ATOM 0 H HIS A 63 -2.782 7.015 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.232 4.282 -6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.850 6.300 -8.441 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.181 6.298 -7.906 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.113 5.272 -10.318 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.243 1.627 -10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.371 2.921 -11.479 1.00 0.00 H new ATOM 924 N GLY A 64 -0.263 5.225 -5.787 1.00 0.00 N ATOM 925 CA GLY A 64 0.956 4.732 -5.162 1.00 0.00 C ATOM 926 C GLY A 64 0.672 3.684 -4.097 1.00 0.00 C ATOM 927 O GLY A 64 1.455 2.748 -3.932 1.00 0.00 O ATOM 0 H GLY A 64 -0.261 6.225 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.607 4.305 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.496 5.566 -4.714 1.00 0.00 H new ATOM 931 N PHE A 65 -0.439 3.818 -3.362 1.00 0.00 N ATOM 932 CA PHE A 65 -0.735 2.826 -2.330 1.00 0.00 C ATOM 933 C PHE A 65 -1.384 1.619 -2.995 1.00 0.00 C ATOM 934 O PHE A 65 -1.044 0.479 -2.693 1.00 0.00 O ATOM 935 CB PHE A 65 -1.600 3.446 -1.200 1.00 0.00 C ATOM 936 CG PHE A 65 -3.043 3.013 -1.291 1.00 0.00 C ATOM 937 CD1 PHE A 65 -3.894 3.697 -2.139 1.00 0.00 C ATOM 938 CD2 PHE A 65 -3.519 1.942 -0.530 1.00 0.00 C ATOM 939 CE1 PHE A 65 -5.231 3.330 -2.247 1.00 0.00 C ATOM 940 CE2 PHE A 65 -4.863 1.565 -0.632 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.717 2.265 -1.496 1.00 0.00 C ATOM 0 H PHE A 65 -1.120 4.571 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 65 0.181 2.491 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.194 3.154 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.543 4.533 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.517 4.524 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.854 1.408 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.889 3.870 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.241 0.739 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.754 1.977 -1.579 1.00 0.00 H new ATOM 951 N ASP A 66 -2.278 1.883 -3.943 1.00 0.00 N ATOM 952 CA ASP A 66 -2.922 0.809 -4.685 1.00 0.00 C ATOM 953 C ASP A 66 -1.846 -0.026 -5.366 1.00 0.00 C ATOM 954 O ASP A 66 -1.908 -1.256 -5.383 1.00 0.00 O ATOM 955 CB ASP A 66 -3.867 1.396 -5.739 1.00 0.00 C ATOM 956 CG ASP A 66 -4.493 0.276 -6.563 1.00 0.00 C ATOM 957 OD1 ASP A 66 -4.832 -0.742 -5.981 1.00 0.00 O ATOM 958 OD2 ASP A 66 -4.624 0.451 -7.762 1.00 0.00 O ATOM 0 H ASP A 66 -2.570 2.823 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.502 0.186 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.648 1.981 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.319 2.076 -6.392 1.00 0.00 H new ATOM 963 N ILE A 67 -0.843 0.665 -5.905 1.00 0.00 N ATOM 964 CA ILE A 67 0.271 0.006 -6.564 1.00 0.00 C ATOM 965 C ILE A 67 0.934 -0.953 -5.594 1.00 0.00 C ATOM 966 O ILE A 67 0.865 -2.171 -5.756 1.00 0.00 O ATOM 967 CB ILE A 67 1.288 1.056 -7.024 1.00 0.00 C ATOM 968 CG1 ILE A 67 0.645 1.921 -8.112 1.00 0.00 C ATOM 969 CG2 ILE A 67 2.532 0.359 -7.585 1.00 0.00 C ATOM 970 CD1 ILE A 67 1.556 3.104 -8.491 1.00 0.00 C ATOM 0 H ILE A 67 -0.784 1.683 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.093 -0.547 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 67 1.583 1.681 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.447 1.313 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.317 2.296 -7.762 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.253 1.109 -7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.981 -0.263 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.248 -0.265 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.074 3.701 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.732 3.724 -7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.508 2.725 -8.864 1.00 0.00 H new ATOM 982 N LEU A 68 1.563 -0.388 -4.573 1.00 0.00 N ATOM 983 CA LEU A 68 2.228 -1.197 -3.560 1.00 0.00 C ATOM 984 C LEU A 68 1.274 -2.294 -3.084 1.00 0.00 C ATOM 985 O LEU A 68 1.601 -3.480 -3.137 1.00 0.00 O ATOM 986 CB LEU A 68 2.665 -0.306 -2.375 1.00 0.00 C ATOM 987 CG LEU A 68 4.145 0.123 -2.530 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.264 1.200 -3.607 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.677 0.681 -1.208 1.00 0.00 C ATOM 0 H LEU A 68 1.627 0.619 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 68 3.118 -1.660 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.029 0.577 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.534 -0.848 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 68 4.730 -0.751 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.308 1.497 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.903 0.806 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.667 2.066 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.718 0.979 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.084 1.547 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.608 -0.085 -0.436 1.00 0.00 H new ATOM 1001 N VAL A 69 0.095 -1.888 -2.625 1.00 0.00 N ATOM 1002 CA VAL A 69 -0.897 -2.830 -2.153 1.00 0.00 C ATOM 1003 C VAL A 69 -1.312 -3.765 -3.286 1.00 0.00 C ATOM 1004 O VAL A 69 -1.900 -4.821 -3.053 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.102 -2.052 -1.620 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -3.240 -3.006 -1.316 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -1.707 -1.317 -0.336 1.00 0.00 C ATOM 0 H VAL A 69 -0.191 -0.910 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.480 -3.439 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.424 -1.334 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.094 -2.445 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.527 -3.532 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.919 -3.728 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.565 -0.762 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.382 -2.040 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.893 -0.624 -0.549 1.00 0.00 H new ATOM 1017 N GLY A 70 -0.985 -3.371 -4.516 1.00 0.00 N ATOM 1018 CA GLY A 70 -1.311 -4.183 -5.686 1.00 0.00 C ATOM 1019 C GLY A 70 -0.206 -5.200 -5.948 1.00 0.00 C ATOM 1020 O GLY A 70 -0.469 -6.327 -6.368 1.00 0.00 O ATOM 0 H GLY A 70 -0.498 -2.500 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.258 -4.698 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.439 -3.542 -6.558 1.00 0.00 H new ATOM 1024 N GLN A 71 1.033 -4.795 -5.679 1.00 0.00 N ATOM 1025 CA GLN A 71 2.177 -5.678 -5.873 1.00 0.00 C ATOM 1026 C GLN A 71 2.313 -6.598 -4.670 1.00 0.00 C ATOM 1027 O GLN A 71 2.514 -7.804 -4.809 1.00 0.00 O ATOM 1028 CB GLN A 71 3.452 -4.852 -6.047 1.00 0.00 C ATOM 1029 CG GLN A 71 3.286 -3.912 -7.239 1.00 0.00 C ATOM 1030 CD GLN A 71 4.486 -2.987 -7.345 1.00 0.00 C ATOM 1031 OE1 GLN A 71 5.247 -3.061 -8.311 1.00 0.00 O ATOM 1032 NE2 GLN A 71 4.706 -2.113 -6.407 1.00 0.00 N ATOM 0 H GLN A 71 1.268 -3.867 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 71 2.023 -6.277 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.654 -4.278 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.307 -5.510 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.181 -4.491 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.374 -3.326 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.075 -2.053 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.509 -1.488 -6.471 1.00 0.00 H new ATOM 1041 N ILE A 72 2.172 -6.013 -3.486 1.00 0.00 N ATOM 1042 CA ILE A 72 2.247 -6.774 -2.242 1.00 0.00 C ATOM 1043 C ILE A 72 1.417 -8.054 -2.385 1.00 0.00 C ATOM 1044 O ILE A 72 1.875 -9.145 -2.044 1.00 0.00 O ATOM 1045 CB ILE A 72 1.729 -5.878 -1.085 1.00 0.00 C ATOM 1046 CG1 ILE A 72 2.900 -5.066 -0.469 1.00 0.00 C ATOM 1047 CG2 ILE A 72 1.054 -6.713 0.020 1.00 0.00 C ATOM 1048 CD1 ILE A 72 2.390 -3.715 0.040 1.00 0.00 C ATOM 0 H ILE A 72 2.005 -5.015 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 72 3.274 -7.065 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 72 0.988 -5.198 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.350 -5.626 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.679 -4.912 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.704 -6.052 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.207 -7.256 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.773 -7.423 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.218 -3.152 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.961 -3.152 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.627 -3.877 0.801 1.00 0.00 H new ATOM 1060 N ASP A 73 0.204 -7.907 -2.910 1.00 0.00 N ATOM 1061 CA ASP A 73 -0.673 -9.056 -3.116 1.00 0.00 C ATOM 1062 C ASP A 73 -0.119 -9.939 -4.231 1.00 0.00 C ATOM 1063 O ASP A 73 -0.157 -11.166 -4.147 1.00 0.00 O ATOM 1064 CB ASP A 73 -2.081 -8.582 -3.485 1.00 0.00 C ATOM 1065 CG ASP A 73 -3.010 -9.780 -3.643 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -2.822 -10.750 -2.925 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -3.896 -9.713 -4.479 1.00 0.00 O ATOM 0 H ASP A 73 -0.192 -7.012 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.722 -9.632 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.463 -7.915 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.050 -8.011 -4.413 1.00 0.00 H new ATOM 1072 N ASP A 74 0.407 -9.295 -5.268 1.00 0.00 N ATOM 1073 CA ASP A 74 0.988 -10.001 -6.395 1.00 0.00 C ATOM 1074 C ASP A 74 2.241 -10.726 -5.943 1.00 0.00 C ATOM 1075 O ASP A 74 2.732 -11.627 -6.619 1.00 0.00 O ATOM 1076 CB ASP A 74 1.352 -9.008 -7.506 1.00 0.00 C ATOM 1077 CG ASP A 74 1.469 -9.731 -8.844 1.00 0.00 C ATOM 1078 OD1 ASP A 74 0.502 -10.358 -9.243 1.00 0.00 O ATOM 1079 OD2 ASP A 74 2.524 -9.645 -9.452 1.00 0.00 O ATOM 0 H ASP A 74 0.441 -8.279 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 74 0.262 -10.718 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.592 -8.229 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.294 -8.515 -7.268 1.00 0.00 H new ATOM 1084 N ALA A 75 2.760 -10.306 -4.797 1.00 0.00 N ATOM 1085 CA ALA A 75 3.966 -10.901 -4.255 1.00 0.00 C ATOM 1086 C ALA A 75 3.647 -12.222 -3.563 1.00 0.00 C ATOM 1087 O ALA A 75 4.164 -13.271 -3.943 1.00 0.00 O ATOM 1088 CB ALA A 75 4.618 -9.942 -3.259 1.00 0.00 C ATOM 0 H ALA A 75 2.363 -9.557 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 75 4.656 -11.094 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.523 -10.396 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.873 -9.011 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.923 -9.735 -2.445 1.00 0.00 H new ATOM 1094 N LEU A 76 2.790 -12.169 -2.547 1.00 0.00 N ATOM 1095 CA LEU A 76 2.422 -13.380 -1.827 1.00 0.00 C ATOM 1096 C LEU A 76 1.890 -14.421 -2.796 1.00 0.00 C ATOM 1097 O LEU A 76 2.379 -15.545 -2.831 1.00 0.00 O ATOM 1098 CB LEU A 76 1.362 -13.087 -0.760 1.00 0.00 C ATOM 1099 CG LEU A 76 0.901 -14.418 -0.082 1.00 0.00 C ATOM 1100 CD1 LEU A 76 0.867 -14.250 1.443 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -0.508 -14.797 -0.566 1.00 0.00 C ATOM 0 H LEU A 76 2.345 -11.315 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 76 3.316 -13.762 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.768 -12.409 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.507 -12.586 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 76 1.608 -15.203 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.545 -15.183 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.863 -13.992 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.169 -13.455 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.820 -15.726 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.208 -14.003 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.497 -14.932 -1.648 1.00 0.00 H new ATOM 1113 N LYS A 77 0.896 -14.041 -3.596 1.00 0.00 N ATOM 1114 CA LYS A 77 0.336 -14.973 -4.574 1.00 0.00 C ATOM 1115 C LYS A 77 1.479 -15.637 -5.339 1.00 0.00 C ATOM 1116 O LYS A 77 1.394 -16.806 -5.715 1.00 0.00 O ATOM 1117 CB LYS A 77 -0.691 -14.243 -5.477 1.00 0.00 C ATOM 1118 CG LYS A 77 -0.028 -13.435 -6.619 1.00 0.00 C ATOM 1119 CD LYS A 77 0.496 -14.292 -7.804 1.00 0.00 C ATOM 1120 CE LYS A 77 -0.327 -15.571 -8.024 1.00 0.00 C ATOM 1121 NZ LYS A 77 -1.762 -15.215 -8.209 1.00 0.00 N ATOM 0 H LYS A 77 0.469 -13.115 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.220 -15.771 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.373 -14.976 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.291 -13.570 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.750 -12.714 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.804 -12.864 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.479 -13.693 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.536 -14.562 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.041 -16.107 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.215 -16.239 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.315 -15.571 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.859 -14.181 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.116 -15.644 -9.088 1.00 0.00 H new ATOM 1135 N LEU A 78 2.576 -14.906 -5.513 1.00 0.00 N ATOM 1136 CA LEU A 78 3.746 -15.461 -6.187 1.00 0.00 C ATOM 1137 C LEU A 78 4.389 -16.528 -5.296 1.00 0.00 C ATOM 1138 O LEU A 78 4.638 -17.652 -5.733 1.00 0.00 O ATOM 1139 CB LEU A 78 4.758 -14.336 -6.496 1.00 0.00 C ATOM 1140 CG LEU A 78 5.566 -14.650 -7.770 1.00 0.00 C ATOM 1141 CD1 LEU A 78 6.199 -16.040 -7.653 1.00 0.00 C ATOM 1142 CD2 LEU A 78 4.662 -14.588 -9.023 1.00 0.00 C ATOM 0 H LEU A 78 2.680 -13.940 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 78 3.441 -15.920 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.229 -13.391 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.437 -14.212 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 78 6.351 -13.901 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.769 -16.257 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.864 -16.066 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.415 -16.788 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.254 -14.813 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.858 -15.318 -8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.236 -13.589 -9.115 1.00 0.00 H new ATOM 1154 N ALA A 79 4.640 -16.162 -4.038 1.00 0.00 N ATOM 1155 CA ALA A 79 5.239 -17.086 -3.076 1.00 0.00 C ATOM 1156 C ALA A 79 4.212 -18.119 -2.629 1.00 0.00 C ATOM 1157 O ALA A 79 4.553 -19.111 -1.984 1.00 0.00 O ATOM 1158 CB ALA A 79 5.744 -16.313 -1.856 1.00 0.00 C ATOM 0 H ALA A 79 4.438 -15.235 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 79 6.075 -17.595 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.189 -17.008 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.493 -15.586 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.910 -15.794 -1.384 1.00 0.00 H new ATOM 1164 N ASN A 80 2.955 -17.884 -2.990 1.00 0.00 N ATOM 1165 CA ASN A 80 1.886 -18.805 -2.636 1.00 0.00 C ATOM 1166 C ASN A 80 1.924 -19.988 -3.595 1.00 0.00 C ATOM 1167 O ASN A 80 1.819 -21.147 -3.193 1.00 0.00 O ATOM 1168 CB ASN A 80 0.529 -18.099 -2.735 1.00 0.00 C ATOM 1169 CG ASN A 80 -0.530 -18.881 -1.965 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -0.688 -20.084 -2.169 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -1.270 -18.263 -1.085 1.00 0.00 N ATOM 0 H ASN A 80 2.655 -17.069 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 80 2.023 -19.151 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.607 -17.088 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.235 -18.007 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.981 -18.777 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.137 -17.266 -0.917 1.00 0.00 H new ATOM 1178 N GLU A 81 2.091 -19.661 -4.876 1.00 0.00 N ATOM 1179 CA GLU A 81 2.166 -20.653 -5.944 1.00 0.00 C ATOM 1180 C GLU A 81 3.383 -20.351 -6.808 1.00 0.00 C ATOM 1181 O GLU A 81 3.264 -20.159 -8.018 1.00 0.00 O ATOM 1182 CB GLU A 81 0.909 -20.575 -6.814 1.00 0.00 C ATOM 1183 CG GLU A 81 0.783 -21.848 -7.654 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.415 -21.734 -8.591 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.367 -21.067 -8.224 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -0.363 -22.317 -9.661 1.00 0.00 O ATOM 0 H GLU A 81 2.178 -18.698 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 81 2.245 -21.650 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.027 -20.454 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.959 -19.702 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.694 -22.005 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.665 -22.714 -7.003 1.00 0.00 H new ATOM 1193 N GLY A 82 4.541 -20.277 -6.176 1.00 0.00 N ATOM 1194 CA GLY A 82 5.758 -19.958 -6.886 1.00 0.00 C ATOM 1195 C GLY A 82 6.868 -19.678 -5.882 1.00 0.00 C ATOM 1196 O GLY A 82 7.038 -18.546 -5.437 1.00 0.00 O ATOM 0 H GLY A 82 4.660 -20.434 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.041 -20.786 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.602 -19.089 -7.525 1.00 0.00 H new ATOM 1200 N LYS A 83 7.589 -20.741 -5.529 1.00 0.00 N ATOM 1201 CA LYS A 83 8.696 -20.701 -4.559 1.00 0.00 C ATOM 1202 C LYS A 83 9.230 -19.283 -4.315 1.00 0.00 C ATOM 1203 O LYS A 83 9.316 -18.454 -5.221 1.00 0.00 O ATOM 1204 CB LYS A 83 9.811 -21.670 -5.032 1.00 0.00 C ATOM 1205 CG LYS A 83 11.210 -21.321 -4.462 1.00 0.00 C ATOM 1206 CD LYS A 83 11.252 -21.496 -2.924 1.00 0.00 C ATOM 1207 CE LYS A 83 11.778 -22.891 -2.557 1.00 0.00 C ATOM 1208 NZ LYS A 83 10.993 -23.930 -3.283 1.00 0.00 N ATOM 0 H LYS A 83 7.422 -21.672 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 83 8.317 -21.028 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.549 -22.686 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.856 -21.657 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.963 -21.960 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.464 -20.293 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.891 -20.732 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.254 -21.356 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.834 -22.972 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.700 -23.048 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.258 -24.873 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.978 -23.773 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.195 -23.870 -4.301 1.00 0.00 H new ATOM 1222 N VAL A 84 9.585 -19.039 -3.055 1.00 0.00 N ATOM 1223 CA VAL A 84 10.101 -17.745 -2.616 1.00 0.00 C ATOM 1224 C VAL A 84 11.116 -17.179 -3.605 1.00 0.00 C ATOM 1225 O VAL A 84 11.053 -16.003 -3.961 1.00 0.00 O ATOM 1226 CB VAL A 84 10.757 -17.887 -1.229 1.00 0.00 C ATOM 1227 CG1 VAL A 84 11.453 -16.563 -0.826 1.00 0.00 C ATOM 1228 CG2 VAL A 84 9.689 -18.244 -0.178 1.00 0.00 C ATOM 0 H VAL A 84 9.523 -19.733 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 84 9.261 -17.053 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 84 11.501 -18.682 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.912 -16.678 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.221 -16.318 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.716 -15.761 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.160 -18.343 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.937 -17.456 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.213 -19.187 -0.449 1.00 0.00 H new ATOM 1238 N LYS A 85 12.052 -18.011 -4.033 1.00 0.00 N ATOM 1239 CA LYS A 85 13.082 -17.567 -4.973 1.00 0.00 C ATOM 1240 C LYS A 85 12.466 -16.738 -6.095 1.00 0.00 C ATOM 1241 O LYS A 85 13.048 -15.748 -6.547 1.00 0.00 O ATOM 1242 CB LYS A 85 13.808 -18.774 -5.574 1.00 0.00 C ATOM 1243 CG LYS A 85 14.458 -19.592 -4.456 1.00 0.00 C ATOM 1244 CD LYS A 85 15.255 -20.747 -5.067 1.00 0.00 C ATOM 1245 CE LYS A 85 16.039 -21.465 -3.967 1.00 0.00 C ATOM 1246 NZ LYS A 85 16.815 -22.590 -4.565 1.00 0.00 N ATOM 0 H LYS A 85 12.124 -18.989 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 85 13.795 -16.950 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.105 -19.394 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.567 -18.439 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.115 -18.957 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.694 -19.980 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.581 -21.446 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.938 -20.369 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.713 -20.767 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.356 -21.844 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.349 -23.079 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.162 -23.260 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.477 -22.216 -5.275 1.00 0.00 H new ATOM 1260 N GLU A 86 11.282 -17.146 -6.530 1.00 0.00 N ATOM 1261 CA GLU A 86 10.581 -16.437 -7.597 1.00 0.00 C ATOM 1262 C GLU A 86 9.910 -15.197 -7.037 1.00 0.00 C ATOM 1263 O GLU A 86 9.704 -14.213 -7.744 1.00 0.00 O ATOM 1264 CB GLU A 86 9.522 -17.341 -8.235 1.00 0.00 C ATOM 1265 CG GLU A 86 10.156 -18.668 -8.657 1.00 0.00 C ATOM 1266 CD GLU A 86 9.238 -19.398 -9.632 1.00 0.00 C ATOM 1267 OE1 GLU A 86 8.039 -19.382 -9.411 1.00 0.00 O ATOM 1268 OE2 GLU A 86 9.749 -19.963 -10.587 1.00 0.00 O ATOM 0 H GLU A 86 10.787 -17.959 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 86 11.308 -16.150 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.713 -17.523 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.083 -16.846 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.124 -18.486 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.336 -19.289 -7.780 1.00 0.00 H new ATOM 1275 N ALA A 87 9.580 -15.257 -5.755 1.00 0.00 N ATOM 1276 CA ALA A 87 8.935 -14.139 -5.080 1.00 0.00 C ATOM 1277 C ALA A 87 9.983 -13.119 -4.659 1.00 0.00 C ATOM 1278 O ALA A 87 9.863 -11.932 -4.961 1.00 0.00 O ATOM 1279 CB ALA A 87 8.160 -14.631 -3.853 1.00 0.00 C ATOM 0 H ALA A 87 9.748 -16.069 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 87 8.233 -13.670 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.684 -13.784 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.397 -15.344 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.847 -15.116 -3.159 1.00 0.00 H new ATOM 1285 N GLN A 88 11.025 -13.592 -3.976 1.00 0.00 N ATOM 1286 CA GLN A 88 12.095 -12.705 -3.546 1.00 0.00 C ATOM 1287 C GLN A 88 12.555 -11.884 -4.749 1.00 0.00 C ATOM 1288 O GLN A 88 12.849 -10.691 -4.631 1.00 0.00 O ATOM 1289 CB GLN A 88 13.240 -13.531 -2.897 1.00 0.00 C ATOM 1290 CG GLN A 88 14.343 -13.892 -3.909 1.00 0.00 C ATOM 1291 CD GLN A 88 15.310 -12.727 -4.056 1.00 0.00 C ATOM 1292 OE1 GLN A 88 16.439 -12.898 -4.517 1.00 0.00 O ATOM 1293 NE2 GLN A 88 14.917 -11.550 -3.688 1.00 0.00 N ATOM 0 H GLN A 88 11.147 -14.570 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 88 11.747 -12.011 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.675 -12.962 -2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.829 -14.445 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.878 -14.781 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.899 -14.132 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.979 -11.421 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.545 -10.751 -3.778 1.00 0.00 H new ATOM 1302 N ALA A 89 12.564 -12.520 -5.915 1.00 0.00 N ATOM 1303 CA ALA A 89 12.936 -11.830 -7.136 1.00 0.00 C ATOM 1304 C ALA A 89 11.800 -10.899 -7.529 1.00 0.00 C ATOM 1305 O ALA A 89 12.023 -9.760 -7.955 1.00 0.00 O ATOM 1306 CB ALA A 89 13.201 -12.836 -8.258 1.00 0.00 C ATOM 0 H ALA A 89 12.320 -13.503 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 89 13.849 -11.258 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.479 -12.302 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.013 -13.502 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.300 -13.421 -8.442 1.00 0.00 H new ATOM 1312 N ALA A 90 10.570 -11.386 -7.357 1.00 0.00 N ATOM 1313 CA ALA A 90 9.406 -10.574 -7.677 1.00 0.00 C ATOM 1314 C ALA A 90 9.324 -9.394 -6.719 1.00 0.00 C ATOM 1315 O ALA A 90 8.665 -8.401 -7.009 1.00 0.00 O ATOM 1316 CB ALA A 90 8.123 -11.406 -7.582 1.00 0.00 C ATOM 0 H ALA A 90 10.361 -12.320 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 90 9.508 -10.209 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.265 -10.780 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.176 -12.238 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.015 -11.793 -6.569 1.00 0.00 H new ATOM 1322 N ALA A 91 10.006 -9.517 -5.579 1.00 0.00 N ATOM 1323 CA ALA A 91 10.018 -8.457 -4.573 1.00 0.00 C ATOM 1324 C ALA A 91 10.895 -7.295 -5.037 1.00 0.00 C ATOM 1325 O ALA A 91 10.611 -6.123 -4.766 1.00 0.00 O ATOM 1326 CB ALA A 91 10.562 -9.005 -3.251 1.00 0.00 C ATOM 0 H ALA A 91 10.556 -10.339 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 91 8.998 -8.100 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.569 -8.212 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.927 -9.822 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.577 -9.373 -3.400 1.00 0.00 H new ATOM 1332 N GLU A 92 11.971 -7.635 -5.735 1.00 0.00 N ATOM 1333 CA GLU A 92 12.900 -6.629 -6.237 1.00 0.00 C ATOM 1334 C GLU A 92 12.241 -5.769 -7.307 1.00 0.00 C ATOM 1335 O GLU A 92 12.300 -4.539 -7.252 1.00 0.00 O ATOM 1336 CB GLU A 92 14.135 -7.315 -6.823 1.00 0.00 C ATOM 1337 CG GLU A 92 14.767 -8.230 -5.766 1.00 0.00 C ATOM 1338 CD GLU A 92 15.623 -7.414 -4.803 1.00 0.00 C ATOM 1339 OE1 GLU A 92 15.054 -6.666 -4.023 1.00 0.00 O ATOM 1340 OE2 GLU A 92 16.834 -7.548 -4.858 1.00 0.00 O ATOM 0 H GLU A 92 12.222 -8.596 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 92 13.194 -5.987 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.857 -7.896 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.858 -6.567 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.986 -8.754 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.379 -8.990 -6.252 1.00 0.00 H new ATOM 1347 N GLN A 93 11.610 -6.420 -8.279 1.00 0.00 N ATOM 1348 CA GLN A 93 10.941 -5.686 -9.352 1.00 0.00 C ATOM 1349 C GLN A 93 10.081 -4.578 -8.762 1.00 0.00 C ATOM 1350 O GLN A 93 9.724 -3.614 -9.443 1.00 0.00 O ATOM 1351 CB GLN A 93 10.046 -6.617 -10.176 1.00 0.00 C ATOM 1352 CG GLN A 93 10.803 -7.894 -10.544 1.00 0.00 C ATOM 1353 CD GLN A 93 9.894 -8.823 -11.342 1.00 0.00 C ATOM 1354 OE1 GLN A 93 10.184 -9.137 -12.496 1.00 0.00 O ATOM 1355 NE2 GLN A 93 8.799 -9.285 -10.795 1.00 0.00 N ATOM 0 H GLN A 93 11.547 -7.436 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 93 11.709 -5.263 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.150 -6.868 -9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.716 -6.108 -11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.689 -7.647 -11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.148 -8.396 -9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.558 -9.025 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.186 -9.905 -11.325 1.00 0.00 H new ATOM 1364 N LEU A 94 9.758 -4.722 -7.482 1.00 0.00 N ATOM 1365 CA LEU A 94 8.939 -3.731 -6.796 1.00 0.00 C ATOM 1366 C LEU A 94 9.810 -2.570 -6.369 1.00 0.00 C ATOM 1367 O LEU A 94 9.491 -1.411 -6.629 1.00 0.00 O ATOM 1368 CB LEU A 94 8.252 -4.335 -5.559 1.00 0.00 C ATOM 1369 CG LEU A 94 7.740 -5.753 -5.851 1.00 0.00 C ATOM 1370 CD1 LEU A 94 6.785 -6.190 -4.733 1.00 0.00 C ATOM 1371 CD2 LEU A 94 7.005 -5.793 -7.202 1.00 0.00 C ATOM 0 H LEU A 94 10.048 -5.509 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 94 8.166 -3.390 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.954 -4.363 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.420 -3.700 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 94 8.591 -6.433 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.420 -7.196 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.313 -6.183 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.941 -5.501 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.649 -6.805 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.157 -5.109 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.688 -5.493 -7.997 1.00 0.00 H new ATOM 1383 N LYS A 95 10.924 -2.893 -5.722 1.00 0.00 N ATOM 1384 CA LYS A 95 11.853 -1.863 -5.268 1.00 0.00 C ATOM 1385 C LYS A 95 12.015 -0.801 -6.350 1.00 0.00 C ATOM 1386 O LYS A 95 12.000 0.396 -6.073 1.00 0.00 O ATOM 1387 CB LYS A 95 13.225 -2.477 -4.951 1.00 0.00 C ATOM 1388 CG LYS A 95 13.122 -3.478 -3.783 1.00 0.00 C ATOM 1389 CD LYS A 95 13.174 -2.744 -2.427 1.00 0.00 C ATOM 1390 CE LYS A 95 14.622 -2.579 -1.945 1.00 0.00 C ATOM 1391 NZ LYS A 95 15.298 -1.519 -2.743 1.00 0.00 N ATOM 0 H LYS A 95 11.205 -3.849 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 95 11.450 -1.409 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.615 -2.982 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.932 -1.687 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.192 -4.041 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.937 -4.199 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.705 -1.765 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.602 -3.302 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.636 -2.316 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.159 -3.522 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.119 -1.158 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.616 -1.917 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.632 -0.740 -2.921 1.00 0.00 H new ATOM 1405 N THR A 96 12.155 -1.254 -7.588 1.00 0.00 N ATOM 1406 CA THR A 96 12.305 -0.331 -8.707 1.00 0.00 C ATOM 1407 C THR A 96 10.989 0.391 -8.986 1.00 0.00 C ATOM 1408 O THR A 96 10.959 1.607 -9.169 1.00 0.00 O ATOM 1409 CB THR A 96 12.732 -1.097 -9.956 1.00 0.00 C ATOM 1410 OG1 THR A 96 13.747 -2.031 -9.616 1.00 0.00 O ATOM 1411 CG2 THR A 96 13.263 -0.121 -11.009 1.00 0.00 C ATOM 0 H THR A 96 12.168 -2.242 -7.842 1.00 0.00 H new ATOM 0 HA THR A 96 13.066 0.405 -8.447 1.00 0.00 H new ATOM 0 HB THR A 96 11.871 -1.628 -10.363 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.020 -2.524 -10.418 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.566 -0.674 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.480 0.590 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.121 0.417 -10.606 1.00 0.00 H new ATOM 1419 N THR A 97 9.905 -0.376 -9.029 1.00 0.00 N ATOM 1420 CA THR A 97 8.588 0.190 -9.300 1.00 0.00 C ATOM 1421 C THR A 97 8.267 1.323 -8.329 1.00 0.00 C ATOM 1422 O THR A 97 7.912 2.434 -8.745 1.00 0.00 O ATOM 1423 CB THR A 97 7.518 -0.897 -9.181 1.00 0.00 C ATOM 1424 OG1 THR A 97 7.885 -2.009 -9.986 1.00 0.00 O ATOM 1425 CG2 THR A 97 6.173 -0.344 -9.653 1.00 0.00 C ATOM 0 H THR A 97 9.911 -1.385 -8.881 1.00 0.00 H new ATOM 0 HA THR A 97 8.596 0.591 -10.313 1.00 0.00 H new ATOM 0 HB THR A 97 7.433 -1.213 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.480 -2.599 -9.478 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.411 -1.119 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.893 0.509 -9.035 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.254 -0.028 -10.693 1.00 0.00 H new ATOM 1433 N ILE A 98 8.389 1.051 -7.035 1.00 0.00 N ATOM 1434 CA ILE A 98 8.095 2.076 -6.051 1.00 0.00 C ATOM 1435 C ILE A 98 9.093 3.208 -6.169 1.00 0.00 C ATOM 1436 O ILE A 98 8.801 4.329 -5.780 1.00 0.00 O ATOM 1437 CB ILE A 98 8.112 1.511 -4.617 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.558 1.331 -4.118 1.00 0.00 C ATOM 1439 CG2 ILE A 98 7.392 0.160 -4.587 1.00 0.00 C ATOM 1440 CD1 ILE A 98 9.539 0.663 -2.741 1.00 0.00 C ATOM 0 H ILE A 98 8.682 0.152 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 98 7.091 2.450 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 98 7.601 2.217 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.125 0.722 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.057 2.298 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.406 -0.237 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.360 0.291 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.897 -0.537 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.561 0.534 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.987 1.289 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.055 -0.311 -2.816 1.00 0.00 H new ATOM 1452 N ARG A 99 10.284 2.912 -6.679 1.00 0.00 N ATOM 1453 CA ARG A 99 11.289 3.953 -6.789 1.00 0.00 C ATOM 1454 C ARG A 99 10.847 4.992 -7.795 1.00 0.00 C ATOM 1455 O ARG A 99 11.214 6.159 -7.696 1.00 0.00 O ATOM 1456 CB ARG A 99 12.654 3.369 -7.163 1.00 0.00 C ATOM 1457 CG ARG A 99 13.720 4.479 -7.158 1.00 0.00 C ATOM 1458 CD ARG A 99 13.793 5.170 -5.779 1.00 0.00 C ATOM 1459 NE ARG A 99 15.176 5.513 -5.466 1.00 0.00 N ATOM 1460 CZ ARG A 99 16.029 4.593 -5.027 1.00 0.00 C ATOM 1461 NH1 ARG A 99 15.635 3.359 -4.869 1.00 0.00 N ATOM 1462 NH2 ARG A 99 17.263 4.922 -4.757 1.00 0.00 N ATOM 0 H ARG A 99 10.568 1.990 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 99 11.398 4.433 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.929 2.586 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.603 2.906 -8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.693 4.055 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.486 5.216 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.178 6.070 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.390 4.510 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 99 15.494 6.475 -5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.672 3.100 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.290 2.654 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.573 5.886 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.917 4.216 -4.420 1.00 0.00 H new ATOM 1476 N ALA A 100 10.011 4.578 -8.732 1.00 0.00 N ATOM 1477 CA ALA A 100 9.484 5.514 -9.699 1.00 0.00 C ATOM 1478 C ALA A 100 8.478 6.384 -8.978 1.00 0.00 C ATOM 1479 O ALA A 100 8.414 7.587 -9.201 1.00 0.00 O ATOM 1480 CB ALA A 100 8.813 4.775 -10.859 1.00 0.00 C ATOM 0 H ALA A 100 9.689 3.616 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 100 10.287 6.118 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.423 5.499 -11.575 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.543 4.133 -11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.994 4.166 -10.477 1.00 0.00 H new ATOM 1486 N TYR A 101 7.723 5.769 -8.069 1.00 0.00 N ATOM 1487 CA TYR A 101 6.748 6.517 -7.285 1.00 0.00 C ATOM 1488 C TYR A 101 7.471 7.283 -6.172 1.00 0.00 C ATOM 1489 O TYR A 101 7.179 8.451 -5.915 1.00 0.00 O ATOM 1490 CB TYR A 101 5.690 5.548 -6.698 1.00 0.00 C ATOM 1491 CG TYR A 101 5.107 6.105 -5.412 1.00 0.00 C ATOM 1492 CD1 TYR A 101 4.752 7.455 -5.341 1.00 0.00 C ATOM 1493 CD2 TYR A 101 4.950 5.279 -4.294 1.00 0.00 C ATOM 1494 CE1 TYR A 101 4.237 7.983 -4.153 1.00 0.00 C ATOM 1495 CE2 TYR A 101 4.430 5.804 -3.104 1.00 0.00 C ATOM 1496 CZ TYR A 101 4.075 7.158 -3.034 1.00 0.00 C ATOM 1497 OH TYR A 101 3.568 7.677 -1.860 1.00 0.00 O ATOM 0 H TYR A 101 7.767 4.771 -7.861 1.00 0.00 H new ATOM 0 HA TYR A 101 6.233 7.235 -7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.894 5.388 -7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.146 4.577 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.876 8.091 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.230 4.237 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.964 9.027 -4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.303 5.166 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 101 3.520 6.970 -1.184 1.00 0.00 H new ATOM 1507 N ASN A 102 8.404 6.608 -5.514 1.00 0.00 N ATOM 1508 CA ASN A 102 9.156 7.214 -4.427 1.00 0.00 C ATOM 1509 C ASN A 102 10.012 8.367 -4.946 1.00 0.00 C ATOM 1510 O ASN A 102 10.127 9.408 -4.299 1.00 0.00 O ATOM 1511 CB ASN A 102 10.054 6.160 -3.750 1.00 0.00 C ATOM 1512 CG ASN A 102 10.389 6.600 -2.337 1.00 0.00 C ATOM 1513 OD1 ASN A 102 10.557 5.773 -1.440 1.00 0.00 O ATOM 1514 ND2 ASN A 102 10.497 7.868 -2.094 1.00 0.00 N ATOM 0 H ASN A 102 8.657 5.641 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 102 8.449 7.604 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.546 5.196 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.970 6.026 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.723 8.189 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.356 8.545 -2.844 1.00 0.00 H new ATOM 1521 N GLN A 103 10.607 8.173 -6.117 1.00 0.00 N ATOM 1522 CA GLN A 103 11.448 9.204 -6.712 1.00 0.00 C ATOM 1523 C GLN A 103 10.588 10.265 -7.370 1.00 0.00 C ATOM 1524 O GLN A 103 10.866 11.460 -7.264 1.00 0.00 O ATOM 1525 CB GLN A 103 12.368 8.594 -7.769 1.00 0.00 C ATOM 1526 CG GLN A 103 13.365 9.648 -8.263 1.00 0.00 C ATOM 1527 CD GLN A 103 14.523 8.971 -8.992 1.00 0.00 C ATOM 1528 OE1 GLN A 103 15.685 9.198 -8.656 1.00 0.00 O ATOM 1529 NE2 GLN A 103 14.274 8.147 -9.972 1.00 0.00 N ATOM 0 H GLN A 103 10.524 7.319 -6.669 1.00 0.00 H new ATOM 0 HA GLN A 103 12.047 9.653 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 103 12.904 7.742 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.778 8.219 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.864 10.349 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 103 13.743 10.226 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.310 7.960 -10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.043 7.689 -10.461 1.00 0.00 H new ATOM 1538 N LYS A 104 9.544 9.822 -8.059 1.00 0.00 N ATOM 1539 CA LYS A 104 8.656 10.761 -8.740 1.00 0.00 C ATOM 1540 C LYS A 104 8.285 11.903 -7.794 1.00 0.00 C ATOM 1541 O LYS A 104 8.321 13.075 -8.172 1.00 0.00 O ATOM 1542 CB LYS A 104 7.381 10.051 -9.243 1.00 0.00 C ATOM 1543 CG LYS A 104 6.255 11.074 -9.533 1.00 0.00 C ATOM 1544 CD LYS A 104 5.348 10.559 -10.658 1.00 0.00 C ATOM 1545 CE LYS A 104 4.272 11.601 -10.965 1.00 0.00 C ATOM 1546 NZ LYS A 104 4.889 12.756 -11.677 1.00 0.00 N ATOM 0 H LYS A 104 9.293 8.839 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 104 9.181 11.166 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.607 9.487 -10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.042 9.333 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.667 11.244 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.689 12.033 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.939 10.357 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.884 9.618 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.487 11.159 -11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.803 11.938 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.142 13.338 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.430 13.332 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.526 12.405 -12.420 1.00 0.00 H new ATOM 1560 N TYR A 105 7.924 11.546 -6.563 1.00 0.00 N ATOM 1561 CA TYR A 105 7.539 12.538 -5.555 1.00 0.00 C ATOM 1562 C TYR A 105 8.727 12.835 -4.636 1.00 0.00 C ATOM 1563 O TYR A 105 8.789 13.892 -4.008 1.00 0.00 O ATOM 1564 CB TYR A 105 6.335 11.995 -4.732 1.00 0.00 C ATOM 1565 CG TYR A 105 5.092 12.850 -4.939 1.00 0.00 C ATOM 1566 CD1 TYR A 105 4.690 13.201 -6.232 1.00 0.00 C ATOM 1567 CD2 TYR A 105 4.343 13.281 -3.837 1.00 0.00 C ATOM 1568 CE1 TYR A 105 3.549 13.983 -6.426 1.00 0.00 C ATOM 1569 CE2 TYR A 105 3.197 14.064 -4.031 1.00 0.00 C ATOM 1570 CZ TYR A 105 2.801 14.416 -5.327 1.00 0.00 C ATOM 1571 OH TYR A 105 1.677 15.191 -5.518 1.00 0.00 O ATOM 0 H TYR A 105 7.889 10.580 -6.238 1.00 0.00 H new ATOM 0 HA TYR A 105 7.244 13.465 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.125 10.967 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 105 6.594 11.977 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 105 5.264 12.866 -7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.649 13.010 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 105 3.244 14.254 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 105 2.619 14.396 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 105 1.546 15.346 -6.477 1.00 0.00 H new ATOM 1581 N GLY A 106 9.664 11.896 -4.566 1.00 0.00 N ATOM 1582 CA GLY A 106 10.840 12.065 -3.722 1.00 0.00 C ATOM 1583 C GLY A 106 11.503 13.414 -3.977 1.00 0.00 C ATOM 1584 O GLY A 106 12.067 13.960 -3.042 1.00 0.00 O ATOM 1585 OXT GLY A 106 11.438 13.881 -5.102 1.00 0.00 O ATOM 0 H GLY A 106 9.633 11.016 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.554 11.988 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.551 11.263 -3.918 1.00 0.00 H new