USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 599 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 NoAdj-H: A 351 HIS HD1 : A 351 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 388 HIS HD1 : A 388 HIS ND1 : A 402 ZNZN :(H bumps) USER MOD Set 1.1: A 342 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1) USER MOD Set 1.2: A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 316 MET CE :methyl -163:sc= -0.0872 (180deg=-0.501) USER MOD Single : A 317 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.4) USER MOD Single : A 324 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 165:sc= 1.3 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0.062 USER MOD Single : A 340 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.66) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.4) USER MOD Single : A 357 LYS NZ :NH3+ -158:sc= -0.0714 (180deg=-0.383) USER MOD Single : A 361 TYR OH : rot 150:sc= -1.19 USER MOD Single : A 362 MET CE :methyl 146:sc= -0.0824 (180deg=-1.06) USER MOD Single : A 363 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.845) USER MOD Single : A 364 MET CE :methyl -139:sc= -0.015 (180deg=-2.11!) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00336 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 98:sc= -3.94! USER MOD Single : A 378 SER OG : rot 154:sc= 1.25 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 THR OG1 : rot -13:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 316 -9.125 21.404 -9.586 1.00 0.00 N ATOM 2 CA MET A 316 -7.861 22.106 -9.897 1.00 0.00 C ATOM 3 C MET A 316 -6.911 22.059 -8.706 1.00 0.00 C ATOM 4 O MET A 316 -5.930 21.314 -8.725 1.00 0.00 O ATOM 5 CB MET A 316 -8.139 23.565 -10.282 1.00 0.00 C ATOM 6 CG MET A 316 -6.886 24.355 -10.624 1.00 0.00 C ATOM 7 SD MET A 316 -7.230 26.093 -10.961 1.00 0.00 S ATOM 8 CE MET A 316 -8.281 25.957 -12.408 1.00 0.00 C ATOM 0 HA MET A 316 -7.391 21.599 -10.740 1.00 0.00 H new ATOM 0 HB2 MET A 316 -8.815 23.584 -11.137 1.00 0.00 H new ATOM 0 HB3 MET A 316 -8.655 24.057 -9.458 1.00 0.00 H new ATOM 0 HG2 MET A 316 -6.179 24.282 -9.798 1.00 0.00 H new ATOM 0 HG3 MET A 316 -6.406 23.908 -11.495 1.00 0.00 H new ATOM 0 HE1 MET A 316 -8.332 26.922 -12.913 1.00 0.00 H new ATOM 0 HE2 MET A 316 -7.868 25.212 -13.089 1.00 0.00 H new ATOM 0 HE3 MET A 316 -9.283 25.654 -12.103 1.00 0.00 H new ATOM 18 N ASN A 317 -7.219 22.858 -7.678 1.00 0.00 N ATOM 19 CA ASN A 317 -6.395 22.978 -6.478 1.00 0.00 C ATOM 20 C ASN A 317 -5.113 23.722 -6.826 1.00 0.00 C ATOM 21 O ASN A 317 -5.009 24.927 -6.608 1.00 0.00 O ATOM 22 CB ASN A 317 -6.091 21.607 -5.852 1.00 0.00 C ATOM 23 CG ASN A 317 -5.464 21.719 -4.475 1.00 0.00 C ATOM 24 OD1 ASN A 317 -5.753 22.648 -3.721 1.00 0.00 O ATOM 25 ND2 ASN A 317 -4.596 20.776 -4.137 1.00 0.00 N ATOM 0 H ASN A 317 -8.055 23.443 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 317 -6.949 23.543 -5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 317 -7.014 21.032 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 317 -5.420 21.053 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 317 -4.142 20.805 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 317 -4.382 20.022 -4.790 1.00 0.00 H new ATOM 32 N ILE A 318 -4.159 23.012 -7.404 1.00 0.00 N ATOM 33 CA ILE A 318 -2.958 23.633 -7.928 1.00 0.00 C ATOM 34 C ILE A 318 -2.638 23.025 -9.296 1.00 0.00 C ATOM 35 O ILE A 318 -2.326 21.838 -9.389 1.00 0.00 O ATOM 36 CB ILE A 318 -1.731 23.483 -6.978 1.00 0.00 C ATOM 37 CG1 ILE A 318 -1.893 24.323 -5.704 1.00 0.00 C ATOM 38 CG2 ILE A 318 -0.445 23.874 -7.685 1.00 0.00 C ATOM 39 CD1 ILE A 318 -2.620 23.612 -4.588 1.00 0.00 C ATOM 0 H ILE A 318 -4.195 21.999 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 318 -3.153 24.702 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 318 -1.678 22.432 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 318 -0.906 24.620 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 318 -2.432 25.238 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 318 0.396 23.760 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 318 -0.296 23.230 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 318 -0.510 24.912 -8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 318 -2.694 24.272 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 318 -3.621 23.338 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 318 -2.071 22.712 -4.312 1.00 0.00 H new ATOM 51 N PRO A 319 -2.749 23.823 -10.377 1.00 0.00 N ATOM 52 CA PRO A 319 -2.541 23.339 -11.752 1.00 0.00 C ATOM 53 C PRO A 319 -1.191 22.628 -11.977 1.00 0.00 C ATOM 54 O PRO A 319 -1.177 21.517 -12.503 1.00 0.00 O ATOM 55 CB PRO A 319 -2.658 24.601 -12.617 1.00 0.00 C ATOM 56 CG PRO A 319 -3.428 25.571 -11.784 1.00 0.00 C ATOM 57 CD PRO A 319 -3.105 25.257 -10.347 1.00 0.00 C ATOM 0 HA PRO A 319 -3.273 22.571 -12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -1.675 24.995 -12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -3.173 24.390 -13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -3.151 26.597 -12.028 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -4.498 25.477 -11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -2.280 25.867 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -3.957 25.445 -9.694 1.00 0.00 H new ATOM 65 N PRO A 320 -0.030 23.227 -11.593 1.00 0.00 N ATOM 66 CA PRO A 320 1.281 22.581 -11.767 1.00 0.00 C ATOM 67 C PRO A 320 1.556 21.499 -10.717 1.00 0.00 C ATOM 68 O PRO A 320 2.711 21.173 -10.432 1.00 0.00 O ATOM 69 CB PRO A 320 2.287 23.737 -11.608 1.00 0.00 C ATOM 70 CG PRO A 320 1.467 24.983 -11.524 1.00 0.00 C ATOM 71 CD PRO A 320 0.131 24.561 -10.999 1.00 0.00 C ATOM 0 HA PRO A 320 1.343 22.069 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 320 2.893 23.607 -10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 320 2.973 23.777 -12.454 1.00 0.00 H new ATOM 0 HG2 PRO A 320 1.933 25.713 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 320 1.371 25.454 -12.502 1.00 0.00 H new ATOM 0 HD2 PRO A 320 0.114 24.526 -9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 320 -0.662 25.242 -11.308 1.00 0.00 H new ATOM 79 N ALA A 321 0.493 20.948 -10.150 1.00 0.00 N ATOM 80 CA ALA A 321 0.599 19.873 -9.182 1.00 0.00 C ATOM 81 C ALA A 321 -0.479 18.847 -9.479 1.00 0.00 C ATOM 82 O ALA A 321 -1.027 18.204 -8.582 1.00 0.00 O ATOM 83 CB ALA A 321 0.465 20.411 -7.767 1.00 0.00 C ATOM 0 H ALA A 321 -0.465 21.235 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 321 1.579 19.402 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 321 0.547 19.589 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 321 1.257 21.136 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -0.505 20.895 -7.652 1.00 0.00 H new ATOM 89 N ARG A 322 -0.756 18.695 -10.768 1.00 0.00 N ATOM 90 CA ARG A 322 -1.821 17.831 -11.249 1.00 0.00 C ATOM 91 C ARG A 322 -1.382 16.366 -11.202 1.00 0.00 C ATOM 92 O ARG A 322 -1.493 15.628 -12.186 1.00 0.00 O ATOM 93 CB ARG A 322 -2.184 18.237 -12.679 1.00 0.00 C ATOM 94 CG ARG A 322 -3.527 17.716 -13.169 1.00 0.00 C ATOM 95 CD ARG A 322 -3.757 18.093 -14.624 1.00 0.00 C ATOM 96 NE ARG A 322 -3.630 19.536 -14.845 1.00 0.00 N ATOM 97 CZ ARG A 322 -2.692 20.096 -15.618 1.00 0.00 C ATOM 98 NH1 ARG A 322 -1.788 19.343 -16.229 1.00 0.00 N ATOM 99 NH2 ARG A 322 -2.659 21.415 -15.772 1.00 0.00 N ATOM 0 H ARG A 322 -0.244 19.171 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 322 -2.696 17.940 -10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -2.187 19.325 -12.743 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -1.404 17.880 -13.352 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -3.563 16.632 -13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -4.327 18.125 -12.552 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -3.040 17.566 -15.253 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -4.750 17.766 -14.930 1.00 0.00 H new ATOM 0 HE ARG A 322 -4.298 20.152 -14.381 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -1.804 18.330 -16.111 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -1.076 19.777 -16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -3.349 22.001 -15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -1.944 21.842 -16.361 1.00 0.00 H new ATOM 113 N TRP A 323 -0.886 15.948 -10.047 1.00 0.00 N ATOM 114 CA TRP A 323 -0.387 14.598 -9.874 1.00 0.00 C ATOM 115 C TRP A 323 -1.512 13.655 -9.512 1.00 0.00 C ATOM 116 O TRP A 323 -1.747 13.346 -8.343 1.00 0.00 O ATOM 117 CB TRP A 323 0.715 14.560 -8.819 1.00 0.00 C ATOM 118 CG TRP A 323 1.907 15.369 -9.212 1.00 0.00 C ATOM 119 CD1 TRP A 323 2.454 15.451 -10.456 1.00 0.00 C ATOM 120 CD2 TRP A 323 2.702 16.204 -8.365 1.00 0.00 C ATOM 121 NE1 TRP A 323 3.540 16.289 -10.439 1.00 0.00 N ATOM 122 CE2 TRP A 323 3.715 16.763 -9.166 1.00 0.00 C ATOM 123 CE3 TRP A 323 2.658 16.535 -7.008 1.00 0.00 C ATOM 124 CZ2 TRP A 323 4.673 17.635 -8.656 1.00 0.00 C ATOM 125 CZ3 TRP A 323 3.608 17.398 -6.502 1.00 0.00 C ATOM 126 CH2 TRP A 323 4.606 17.939 -7.324 1.00 0.00 C ATOM 0 H TRP A 323 -0.820 16.531 -9.213 1.00 0.00 H new ATOM 0 HA TRP A 323 0.040 14.268 -10.821 1.00 0.00 H new ATOM 0 HB2 TRP A 323 0.322 14.933 -7.873 1.00 0.00 H new ATOM 0 HB3 TRP A 323 1.019 13.527 -8.652 1.00 0.00 H new ATOM 0 HD1 TRP A 323 2.087 14.932 -11.329 1.00 0.00 H new ATOM 0 HE1 TRP A 323 4.122 16.521 -11.244 1.00 0.00 H new ATOM 0 HE3 TRP A 323 1.893 16.122 -6.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 5.441 18.056 -9.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 3.582 17.661 -5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 323 5.337 18.610 -6.897 1.00 0.00 H new ATOM 137 N LYS A 324 -2.234 13.237 -10.531 1.00 0.00 N ATOM 138 CA LYS A 324 -3.313 12.289 -10.366 1.00 0.00 C ATOM 139 C LYS A 324 -2.773 10.866 -10.429 1.00 0.00 C ATOM 140 O LYS A 324 -2.552 10.323 -11.512 1.00 0.00 O ATOM 141 CB LYS A 324 -4.365 12.507 -11.452 1.00 0.00 C ATOM 142 CG LYS A 324 -5.569 11.581 -11.337 1.00 0.00 C ATOM 143 CD LYS A 324 -6.572 11.817 -12.458 1.00 0.00 C ATOM 144 CE LYS A 324 -5.960 11.554 -13.825 1.00 0.00 C ATOM 145 NZ LYS A 324 -6.943 11.752 -14.920 1.00 0.00 N ATOM 0 H LYS A 324 -2.089 13.544 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 324 -3.777 12.442 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 324 -4.708 13.541 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 324 -3.901 12.365 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 324 -5.234 10.544 -11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 324 -6.056 11.736 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 324 -7.436 11.168 -12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 324 -6.933 12.844 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 324 -5.110 12.219 -13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 324 -5.577 10.534 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 324 -6.486 11.563 -15.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 324 -7.743 11.100 -14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 324 -7.290 12.732 -14.902 1.00 0.00 H new ATOM 159 N LEU A 325 -2.530 10.286 -9.268 1.00 0.00 N ATOM 160 CA LEU A 325 -2.048 8.920 -9.190 1.00 0.00 C ATOM 161 C LEU A 325 -3.221 7.978 -8.968 1.00 0.00 C ATOM 162 O LEU A 325 -4.014 8.161 -8.044 1.00 0.00 O ATOM 163 CB LEU A 325 -1.003 8.753 -8.072 1.00 0.00 C ATOM 164 CG LEU A 325 -1.461 9.148 -6.660 1.00 0.00 C ATOM 165 CD1 LEU A 325 -0.812 8.244 -5.622 1.00 0.00 C ATOM 166 CD2 LEU A 325 -1.113 10.602 -6.362 1.00 0.00 C ATOM 0 H LEU A 325 -2.659 10.741 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 325 -1.559 8.674 -10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.685 7.711 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.127 9.348 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 325 -2.544 9.031 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.146 8.535 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -1.097 7.209 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.272 8.339 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -1.448 10.857 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -0.034 10.739 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -1.608 11.250 -7.085 1.00 0.00 H new ATOM 178 N THR A 326 -3.348 6.989 -9.833 1.00 0.00 N ATOM 179 CA THR A 326 -4.472 6.076 -9.777 1.00 0.00 C ATOM 180 C THR A 326 -3.995 4.639 -9.571 1.00 0.00 C ATOM 181 O THR A 326 -2.965 4.230 -10.110 1.00 0.00 O ATOM 182 CB THR A 326 -5.305 6.167 -11.070 1.00 0.00 C ATOM 183 OG1 THR A 326 -5.583 7.544 -11.362 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.615 5.400 -10.939 1.00 0.00 C ATOM 0 H THR A 326 -2.685 6.798 -10.584 1.00 0.00 H new ATOM 0 HA THR A 326 -5.096 6.362 -8.930 1.00 0.00 H new ATOM 0 HB THR A 326 -4.729 5.721 -11.881 1.00 0.00 H new ATOM 0 HG1 THR A 326 -6.111 7.604 -12.185 1.00 0.00 H new ATOM 0 HG21 THR A 326 -7.180 5.483 -11.867 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.403 4.350 -10.736 1.00 0.00 H new ATOM 0 HG23 THR A 326 -7.200 5.817 -10.119 1.00 0.00 H new ATOM 192 N CYS A 327 -4.750 3.892 -8.781 1.00 0.00 N ATOM 193 CA CYS A 327 -4.474 2.484 -8.541 1.00 0.00 C ATOM 194 C CYS A 327 -4.988 1.665 -9.720 1.00 0.00 C ATOM 195 O CYS A 327 -6.195 1.602 -9.936 1.00 0.00 O ATOM 196 CB CYS A 327 -5.164 2.062 -7.228 1.00 0.00 C ATOM 197 SG CYS A 327 -5.228 0.277 -6.894 1.00 0.00 S ATOM 0 H CYS A 327 -5.571 4.244 -8.288 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.402 2.311 -8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.649 2.548 -6.399 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -6.184 2.446 -7.238 1.00 0.00 H new ATOM 202 N TYR A 328 -4.080 1.058 -10.492 1.00 0.00 N ATOM 203 CA TYR A 328 -4.489 0.325 -11.693 1.00 0.00 C ATOM 204 C TYR A 328 -5.322 -0.892 -11.312 1.00 0.00 C ATOM 205 O TYR A 328 -6.203 -1.318 -12.058 1.00 0.00 O ATOM 206 CB TYR A 328 -3.282 -0.077 -12.557 1.00 0.00 C ATOM 207 CG TYR A 328 -2.377 -1.128 -11.946 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.392 -0.778 -11.040 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.508 -2.470 -12.289 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.559 -1.731 -10.490 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.679 -3.431 -11.740 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.704 -3.056 -10.841 1.00 0.00 C ATOM 213 OH TYR A 328 0.118 -4.007 -10.284 1.00 0.00 O ATOM 0 H TYR A 328 -3.076 1.059 -10.311 1.00 0.00 H new ATOM 0 HA TYR A 328 -5.104 0.991 -12.297 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.647 -0.447 -13.515 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.690 0.814 -12.764 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.273 0.258 -10.759 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.269 -2.766 -12.995 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.206 -1.439 -9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.795 -4.469 -12.014 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.258 -4.898 -10.442 1.00 0.00 H new ATOM 223 N LEU A 329 -5.046 -1.444 -10.140 1.00 0.00 N ATOM 224 CA LEU A 329 -5.911 -2.456 -9.557 1.00 0.00 C ATOM 225 C LEU A 329 -7.016 -1.753 -8.779 1.00 0.00 C ATOM 226 O LEU A 329 -7.090 -1.847 -7.542 1.00 0.00 O ATOM 227 CB LEU A 329 -5.107 -3.403 -8.665 1.00 0.00 C ATOM 228 CG LEU A 329 -4.069 -4.242 -9.411 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.201 -5.027 -8.442 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.750 -5.180 -10.394 1.00 0.00 C ATOM 0 H LEU A 329 -4.230 -1.208 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.359 -3.066 -10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.600 -2.818 -7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.797 -4.073 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.423 -3.562 -9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.472 -5.614 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.680 -4.336 -7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.828 -5.694 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.996 -5.769 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.422 -5.847 -9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.320 -4.597 -11.117 1.00 0.00 H new ATOM 242 N CYS A 330 -7.799 -0.991 -9.547 1.00 0.00 N ATOM 243 CA CYS A 330 -8.889 -0.128 -9.085 1.00 0.00 C ATOM 244 C CYS A 330 -9.234 0.848 -10.202 1.00 0.00 C ATOM 245 O CYS A 330 -8.752 0.709 -11.327 1.00 0.00 O ATOM 246 CB CYS A 330 -8.507 0.701 -7.854 1.00 0.00 C ATOM 247 SG CYS A 330 -8.721 -0.128 -6.264 1.00 0.00 S ATOM 0 H CYS A 330 -7.684 -0.958 -10.560 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.725 -0.774 -8.817 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.464 1.003 -7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.104 1.613 -7.852 1.00 0.00 H new ATOM 252 N LYS A 331 -10.075 1.822 -9.887 1.00 0.00 N ATOM 253 CA LYS A 331 -10.280 2.977 -10.747 1.00 0.00 C ATOM 254 C LYS A 331 -10.735 4.157 -9.902 1.00 0.00 C ATOM 255 O LYS A 331 -11.429 5.064 -10.368 1.00 0.00 O ATOM 256 CB LYS A 331 -11.270 2.660 -11.869 1.00 0.00 C ATOM 257 CG LYS A 331 -12.552 1.975 -11.416 1.00 0.00 C ATOM 258 CD LYS A 331 -13.310 1.398 -12.604 1.00 0.00 C ATOM 259 CE LYS A 331 -12.519 0.280 -13.271 1.00 0.00 C ATOM 260 NZ LYS A 331 -13.183 -0.236 -14.496 1.00 0.00 N ATOM 0 H LYS A 331 -10.632 1.834 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 331 -9.339 3.240 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.531 3.588 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.775 2.024 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -12.314 1.179 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -13.184 2.690 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -14.275 1.016 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -13.511 2.187 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -11.525 0.646 -13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -12.385 -0.538 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -12.605 -0.994 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -14.121 -0.611 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -13.288 0.536 -15.185 1.00 0.00 H new ATOM 274 N GLN A 332 -10.304 4.132 -8.646 1.00 0.00 N ATOM 275 CA GLN A 332 -10.582 5.181 -7.701 1.00 0.00 C ATOM 276 C GLN A 332 -9.249 5.711 -7.189 1.00 0.00 C ATOM 277 O GLN A 332 -8.226 5.614 -7.869 1.00 0.00 O ATOM 278 CB GLN A 332 -11.408 4.631 -6.528 1.00 0.00 C ATOM 279 CG GLN A 332 -12.635 3.834 -6.942 1.00 0.00 C ATOM 280 CD GLN A 332 -13.285 3.140 -5.763 1.00 0.00 C ATOM 281 OE1 GLN A 332 -14.167 3.691 -5.103 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.849 1.922 -5.489 1.00 0.00 N ATOM 0 H GLN A 332 -9.746 3.370 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 332 -11.154 5.977 -8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.768 3.997 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.726 5.464 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -13.357 4.500 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -12.351 3.092 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.116 1.502 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -13.245 1.403 -4.706 1.00 0.00 H new ATOM 291 N LYS A 333 -9.265 6.221 -5.982 1.00 0.00 N ATOM 292 CA LYS A 333 -8.073 6.754 -5.344 1.00 0.00 C ATOM 293 C LYS A 333 -8.271 6.767 -3.832 1.00 0.00 C ATOM 294 O LYS A 333 -9.406 6.836 -3.352 1.00 0.00 O ATOM 295 CB LYS A 333 -7.756 8.167 -5.851 1.00 0.00 C ATOM 296 CG LYS A 333 -8.871 9.173 -5.606 1.00 0.00 C ATOM 297 CD LYS A 333 -8.443 10.583 -5.978 1.00 0.00 C ATOM 298 CE LYS A 333 -9.542 11.592 -5.686 1.00 0.00 C ATOM 299 NZ LYS A 333 -9.082 12.992 -5.889 1.00 0.00 N ATOM 0 H LYS A 333 -10.105 6.281 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 333 -7.228 6.114 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.847 8.521 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -7.549 8.121 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -9.749 8.893 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -9.163 9.146 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.544 10.851 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -8.186 10.619 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -10.397 11.394 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -9.884 11.468 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -9.862 13.647 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -8.283 13.190 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -8.780 13.118 -6.876 1.00 0.00 H new ATOM 313 N GLY A 334 -7.176 6.696 -3.087 1.00 0.00 N ATOM 314 CA GLY A 334 -7.265 6.642 -1.640 1.00 0.00 C ATOM 315 C GLY A 334 -7.885 5.345 -1.153 1.00 0.00 C ATOM 316 O GLY A 334 -7.424 4.270 -1.529 1.00 0.00 O ATOM 0 H GLY A 334 -6.226 6.675 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.268 6.750 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.858 7.483 -1.282 1.00 0.00 H new ATOM 320 N VAL A 335 -8.923 5.474 -0.316 1.00 0.00 N ATOM 321 CA VAL A 335 -9.720 4.357 0.245 1.00 0.00 C ATOM 322 C VAL A 335 -8.917 3.434 1.177 1.00 0.00 C ATOM 323 O VAL A 335 -9.424 3.018 2.220 1.00 0.00 O ATOM 324 CB VAL A 335 -10.483 3.513 -0.827 1.00 0.00 C ATOM 325 CG1 VAL A 335 -11.106 4.407 -1.885 1.00 0.00 C ATOM 326 CG2 VAL A 335 -9.620 2.436 -1.474 1.00 0.00 C ATOM 0 H VAL A 335 -9.248 6.386 0.004 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.472 4.866 0.848 1.00 0.00 H new ATOM 0 HB VAL A 335 -11.277 2.993 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -11.630 3.793 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -11.812 5.091 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -10.324 4.979 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -10.211 1.888 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.768 2.901 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -9.263 1.747 -0.708 1.00 0.00 H new ATOM 336 N GLY A 336 -7.680 3.117 0.820 1.00 0.00 N ATOM 337 CA GLY A 336 -6.863 2.270 1.653 1.00 0.00 C ATOM 338 C GLY A 336 -5.421 2.705 1.650 1.00 0.00 C ATOM 339 O GLY A 336 -5.127 3.901 1.604 1.00 0.00 O ATOM 0 H GLY A 336 -7.229 3.436 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.245 2.286 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.933 1.240 1.303 1.00 0.00 H new ATOM 343 N ALA A 337 -4.524 1.737 1.670 1.00 0.00 N ATOM 344 CA ALA A 337 -3.101 2.016 1.698 1.00 0.00 C ATOM 345 C ALA A 337 -2.533 1.993 0.288 1.00 0.00 C ATOM 346 O ALA A 337 -2.570 0.965 -0.396 1.00 0.00 O ATOM 347 CB ALA A 337 -2.381 1.014 2.588 1.00 0.00 C ATOM 0 H ALA A 337 -4.758 0.744 1.667 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.947 3.012 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.314 1.237 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.775 1.079 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.537 0.007 2.202 1.00 0.00 H new ATOM 353 N SER A 338 -2.037 3.134 -0.150 1.00 0.00 N ATOM 354 CA SER A 338 -1.472 3.267 -1.476 1.00 0.00 C ATOM 355 C SER A 338 0.026 2.988 -1.461 1.00 0.00 C ATOM 356 O SER A 338 0.759 3.495 -0.606 1.00 0.00 O ATOM 357 CB SER A 338 -1.756 4.672 -2.010 1.00 0.00 C ATOM 358 OG SER A 338 -1.599 5.637 -0.981 1.00 0.00 O ATOM 0 H SER A 338 -2.015 3.991 0.402 1.00 0.00 H new ATOM 0 HA SER A 338 -1.936 2.533 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 338 -1.079 4.898 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.770 4.718 -2.408 1.00 0.00 H new ATOM 0 HG SER A 338 -1.783 6.530 -1.340 1.00 0.00 H new ATOM 364 N ILE A 339 0.467 2.157 -2.388 1.00 0.00 N ATOM 365 CA ILE A 339 1.877 1.871 -2.562 1.00 0.00 C ATOM 366 C ILE A 339 2.232 2.000 -4.038 1.00 0.00 C ATOM 367 O ILE A 339 1.435 1.645 -4.911 1.00 0.00 O ATOM 368 CB ILE A 339 2.252 0.461 -2.030 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.764 0.227 -2.138 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.484 -0.623 -2.779 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.224 -1.081 -1.527 1.00 0.00 C ATOM 0 H ILE A 339 -0.142 1.663 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 339 2.451 2.592 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 339 1.972 0.409 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.052 0.248 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.286 1.050 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.763 -1.602 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.413 -0.470 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.726 -0.573 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.304 -1.176 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 339 3.969 -1.097 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 339 3.731 -1.912 -2.032 1.00 0.00 H new ATOM 383 N GLN A 340 3.403 2.530 -4.321 1.00 0.00 N ATOM 384 CA GLN A 340 3.797 2.771 -5.685 1.00 0.00 C ATOM 385 C GLN A 340 5.031 1.950 -6.011 1.00 0.00 C ATOM 386 O GLN A 340 6.014 1.965 -5.268 1.00 0.00 O ATOM 387 CB GLN A 340 4.039 4.265 -5.906 1.00 0.00 C ATOM 388 CG GLN A 340 3.946 4.689 -7.362 1.00 0.00 C ATOM 389 CD GLN A 340 3.471 6.086 -7.532 1.00 0.00 C ATOM 390 OE1 GLN A 340 3.596 6.927 -6.644 1.00 0.00 O ATOM 391 NE2 GLN A 340 2.976 6.357 -8.706 1.00 0.00 N ATOM 0 H GLN A 340 4.095 2.801 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 340 2.997 2.463 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 340 3.312 4.832 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.026 4.525 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 340 4.926 4.585 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.270 4.015 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 340 2.894 5.621 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.670 7.305 -8.924 1.00 0.00 H new ATOM 400 N CYS A 341 4.943 1.207 -7.105 1.00 0.00 N ATOM 401 CA CYS A 341 5.997 0.297 -7.517 1.00 0.00 C ATOM 402 C CYS A 341 7.296 1.043 -7.744 1.00 0.00 C ATOM 403 O CYS A 341 7.298 2.227 -8.094 1.00 0.00 O ATOM 404 CB CYS A 341 5.613 -0.449 -8.798 1.00 0.00 C ATOM 405 SG CYS A 341 6.173 0.347 -10.326 1.00 0.00 S ATOM 0 H CYS A 341 4.138 1.220 -7.731 1.00 0.00 H new ATOM 0 HA CYS A 341 6.133 -0.426 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.027 -1.456 -8.755 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.528 -0.551 -8.833 1.00 0.00 H new ATOM 410 N HIS A 342 8.386 0.313 -7.592 1.00 0.00 N ATOM 411 CA HIS A 342 9.718 0.887 -7.641 1.00 0.00 C ATOM 412 C HIS A 342 10.120 1.195 -9.089 1.00 0.00 C ATOM 413 O HIS A 342 9.364 0.906 -10.020 1.00 0.00 O ATOM 414 CB HIS A 342 10.699 -0.084 -6.974 1.00 0.00 C ATOM 415 CG HIS A 342 12.008 0.525 -6.578 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.131 1.447 -5.564 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.256 0.331 -7.062 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.395 1.795 -5.441 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.100 1.131 -6.336 1.00 0.00 N ATOM 0 H HIS A 342 8.373 -0.694 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 342 9.736 1.832 -7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.226 -0.505 -6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 342 10.890 -0.912 -7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.535 -0.330 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 342 13.788 2.504 -4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 342 15.109 1.201 -6.467 1.00 0.00 H new ATOM 428 N LYS A 343 11.316 1.763 -9.248 1.00 0.00 N ATOM 429 CA LYS A 343 11.833 2.255 -10.528 1.00 0.00 C ATOM 430 C LYS A 343 11.215 3.613 -10.844 1.00 0.00 C ATOM 431 O LYS A 343 10.043 3.706 -11.223 1.00 0.00 O ATOM 432 CB LYS A 343 11.596 1.265 -11.679 1.00 0.00 C ATOM 433 CG LYS A 343 12.340 1.616 -12.960 1.00 0.00 C ATOM 434 CD LYS A 343 13.842 1.436 -12.795 1.00 0.00 C ATOM 435 CE LYS A 343 14.581 1.687 -14.099 1.00 0.00 C ATOM 436 NZ LYS A 343 16.048 1.489 -13.954 1.00 0.00 N ATOM 0 H LYS A 343 11.967 1.897 -8.475 1.00 0.00 H new ATOM 0 HA LYS A 343 12.913 2.361 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.899 0.269 -11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 343 10.528 1.220 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 343 11.983 0.985 -13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 343 12.124 2.648 -13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.209 2.120 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.052 0.425 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 343 14.199 1.015 -14.868 1.00 0.00 H new ATOM 0 HE3 LYS A 343 14.384 2.704 -14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.515 1.670 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.418 2.147 -13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 16.239 0.511 -13.656 1.00 0.00 H new ATOM 450 N ALA A 344 12.015 4.662 -10.659 1.00 0.00 N ATOM 451 CA ALA A 344 11.562 6.040 -10.834 1.00 0.00 C ATOM 452 C ALA A 344 10.913 6.259 -12.196 1.00 0.00 C ATOM 453 O ALA A 344 9.843 6.860 -12.291 1.00 0.00 O ATOM 454 CB ALA A 344 12.723 7.004 -10.644 1.00 0.00 C ATOM 0 H ALA A 344 12.994 4.580 -10.384 1.00 0.00 H new ATOM 0 HA ALA A 344 10.804 6.234 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 344 12.372 8.027 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.131 6.888 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 344 13.499 6.788 -11.378 1.00 0.00 H new ATOM 460 N ASN A 345 11.553 5.762 -13.249 1.00 0.00 N ATOM 461 CA ASN A 345 11.005 5.887 -14.597 1.00 0.00 C ATOM 462 C ASN A 345 9.980 4.794 -14.872 1.00 0.00 C ATOM 463 O ASN A 345 10.091 4.027 -15.832 1.00 0.00 O ATOM 464 CB ASN A 345 12.115 5.875 -15.650 1.00 0.00 C ATOM 465 CG ASN A 345 12.785 7.229 -15.788 1.00 0.00 C ATOM 466 OD1 ASN A 345 12.355 8.067 -16.581 1.00 0.00 O ATOM 467 ND2 ASN A 345 13.835 7.458 -15.014 1.00 0.00 N ATOM 0 H ASN A 345 12.446 5.272 -13.197 1.00 0.00 H new ATOM 0 HA ASN A 345 10.497 6.849 -14.661 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.861 5.127 -15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.698 5.577 -16.612 1.00 0.00 H new ATOM 0 HD21 ASN A 345 14.318 8.355 -15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.160 6.737 -14.370 1.00 0.00 H new ATOM 474 N CYS A 346 8.997 4.725 -13.992 1.00 0.00 N ATOM 475 CA CYS A 346 7.855 3.844 -14.139 1.00 0.00 C ATOM 476 C CYS A 346 6.738 4.347 -13.244 1.00 0.00 C ATOM 477 O CYS A 346 5.704 4.804 -13.729 1.00 0.00 O ATOM 478 CB CYS A 346 8.217 2.402 -13.773 1.00 0.00 C ATOM 479 SG CYS A 346 6.797 1.274 -13.714 1.00 0.00 S ATOM 0 H CYS A 346 8.971 5.289 -13.142 1.00 0.00 H new ATOM 0 HA CYS A 346 7.533 3.847 -15.180 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.938 2.024 -14.498 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.711 2.398 -12.801 1.00 0.00 H new ATOM 484 N TYR A 347 6.977 4.273 -11.933 1.00 0.00 N ATOM 485 CA TYR A 347 6.066 4.820 -10.934 1.00 0.00 C ATOM 486 C TYR A 347 4.648 4.269 -11.110 1.00 0.00 C ATOM 487 O TYR A 347 3.767 4.944 -11.636 1.00 0.00 O ATOM 488 CB TYR A 347 6.071 6.350 -11.033 1.00 0.00 C ATOM 489 CG TYR A 347 6.194 7.068 -9.709 1.00 0.00 C ATOM 490 CD1 TYR A 347 6.961 6.545 -8.673 1.00 0.00 C ATOM 491 CD2 TYR A 347 5.546 8.279 -9.500 1.00 0.00 C ATOM 492 CE1 TYR A 347 7.076 7.210 -7.468 1.00 0.00 C ATOM 493 CE2 TYR A 347 5.659 8.950 -8.299 1.00 0.00 C ATOM 494 CZ TYR A 347 6.422 8.411 -7.286 1.00 0.00 C ATOM 495 OH TYR A 347 6.533 9.074 -6.088 1.00 0.00 O ATOM 0 H TYR A 347 7.807 3.832 -11.538 1.00 0.00 H new ATOM 0 HA TYR A 347 6.407 4.519 -9.944 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.897 6.656 -11.675 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.151 6.672 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.474 5.605 -8.813 1.00 0.00 H new ATOM 0 HD2 TYR A 347 4.944 8.702 -10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 347 7.675 6.792 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 347 5.152 9.893 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 347 6.013 9.904 -6.124 1.00 0.00 H new ATOM 505 N THR A 348 4.431 3.038 -10.667 1.00 0.00 N ATOM 506 CA THR A 348 3.130 2.391 -10.852 1.00 0.00 C ATOM 507 C THR A 348 2.376 2.336 -9.523 1.00 0.00 C ATOM 508 O THR A 348 2.834 1.701 -8.581 1.00 0.00 O ATOM 509 CB THR A 348 3.282 0.955 -11.410 1.00 0.00 C ATOM 510 OG1 THR A 348 4.315 0.910 -12.422 1.00 0.00 O ATOM 511 CG2 THR A 348 1.967 0.472 -12.009 1.00 0.00 C ATOM 0 H THR A 348 5.126 2.470 -10.183 1.00 0.00 H new ATOM 0 HA THR A 348 2.569 2.984 -11.574 1.00 0.00 H new ATOM 0 HB THR A 348 3.561 0.301 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.093 -0.539 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.195 0.472 -11.240 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.671 1.137 -12.820 1.00 0.00 H new ATOM 519 N ALA A 349 1.220 2.985 -9.452 1.00 0.00 N ATOM 520 CA ALA A 349 0.511 3.136 -8.185 1.00 0.00 C ATOM 521 C ALA A 349 -0.631 2.134 -8.037 1.00 0.00 C ATOM 522 O ALA A 349 -1.404 1.903 -8.970 1.00 0.00 O ATOM 523 CB ALA A 349 -0.017 4.555 -8.048 1.00 0.00 C ATOM 0 H ALA A 349 0.755 3.414 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 349 1.225 2.933 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.544 4.657 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 349 0.816 5.258 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.702 4.769 -8.869 1.00 0.00 H new ATOM 529 N PHE A 350 -0.722 1.537 -6.853 1.00 0.00 N ATOM 530 CA PHE A 350 -1.807 0.626 -6.517 1.00 0.00 C ATOM 531 C PHE A 350 -1.929 0.488 -5.000 1.00 0.00 C ATOM 532 O PHE A 350 -1.282 1.220 -4.255 1.00 0.00 O ATOM 533 CB PHE A 350 -1.632 -0.749 -7.197 1.00 0.00 C ATOM 534 CG PHE A 350 -0.279 -1.404 -7.032 1.00 0.00 C ATOM 535 CD1 PHE A 350 0.863 -0.825 -7.564 1.00 0.00 C ATOM 536 CD2 PHE A 350 -0.159 -2.624 -6.385 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.091 -1.441 -7.452 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.072 -3.243 -6.268 1.00 0.00 C ATOM 539 CZ PHE A 350 2.197 -2.652 -6.803 1.00 0.00 C ATOM 0 H PHE A 350 -0.046 1.672 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.735 1.050 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.391 -1.425 -6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.829 -0.633 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 350 0.789 0.124 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -1.036 -3.096 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 350 2.970 -0.975 -7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.152 -4.191 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.158 -3.137 -6.714 1.00 0.00 H new ATOM 549 N HIS A 351 -2.777 -0.422 -4.539 1.00 0.00 N ATOM 550 CA HIS A 351 -2.998 -0.597 -3.102 1.00 0.00 C ATOM 551 C HIS A 351 -2.189 -1.768 -2.575 1.00 0.00 C ATOM 552 O HIS A 351 -1.893 -2.706 -3.316 1.00 0.00 O ATOM 553 CB HIS A 351 -4.482 -0.829 -2.786 1.00 0.00 C ATOM 554 CG HIS A 351 -5.358 0.358 -3.015 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.315 0.414 -4.018 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.449 1.528 -2.343 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.949 1.576 -3.938 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.443 2.264 -2.936 1.00 0.00 N ATOM 0 H HIS A 351 -3.322 -1.049 -5.131 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.675 0.322 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.845 -1.656 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.575 -1.137 -1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.850 1.828 -1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.748 1.904 -4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.742 3.195 -2.647 1.00 0.00 H new ATOM 566 N VAL A 352 -1.848 -1.716 -1.293 1.00 0.00 N ATOM 567 CA VAL A 352 -1.111 -2.794 -0.648 1.00 0.00 C ATOM 568 C VAL A 352 -1.917 -4.091 -0.693 1.00 0.00 C ATOM 569 O VAL A 352 -1.369 -5.166 -0.941 1.00 0.00 O ATOM 570 CB VAL A 352 -0.765 -2.447 0.816 1.00 0.00 C ATOM 571 CG1 VAL A 352 0.035 -3.567 1.467 1.00 0.00 C ATOM 572 CG2 VAL A 352 0.001 -1.134 0.885 1.00 0.00 C ATOM 0 H VAL A 352 -2.072 -0.934 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.178 -2.928 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.698 -2.334 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 352 0.266 -3.298 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.550 -4.487 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.963 -3.720 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.237 -0.905 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.925 -1.222 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.610 -0.334 0.466 1.00 0.00 H new ATOM 582 N THR A 353 -3.224 -3.984 -0.474 1.00 0.00 N ATOM 583 CA THR A 353 -4.098 -5.146 -0.552 1.00 0.00 C ATOM 584 C THR A 353 -4.198 -5.645 -1.998 1.00 0.00 C ATOM 585 O THR A 353 -4.306 -6.844 -2.243 1.00 0.00 O ATOM 586 CB THR A 353 -5.510 -4.847 0.009 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.315 -6.031 -0.018 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.204 -3.744 -0.782 1.00 0.00 C ATOM 0 H THR A 353 -3.697 -3.110 -0.243 1.00 0.00 H new ATOM 0 HA THR A 353 -3.656 -5.927 0.067 1.00 0.00 H new ATOM 0 HB THR A 353 -5.389 -4.508 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.205 -5.830 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.192 -3.561 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.612 -2.830 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.305 -4.051 -1.823 1.00 0.00 H new ATOM 596 N CYS A 354 -4.118 -4.725 -2.958 1.00 0.00 N ATOM 597 CA CYS A 354 -4.168 -5.090 -4.370 1.00 0.00 C ATOM 598 C CYS A 354 -3.002 -5.999 -4.729 1.00 0.00 C ATOM 599 O CYS A 354 -3.165 -6.961 -5.473 1.00 0.00 O ATOM 600 CB CYS A 354 -4.141 -3.846 -5.262 1.00 0.00 C ATOM 601 SG CYS A 354 -5.628 -2.822 -5.179 1.00 0.00 S ATOM 0 H CYS A 354 -4.019 -3.725 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.104 -5.622 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.281 -3.236 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -3.990 -4.160 -6.295 1.00 0.00 H new ATOM 606 N ALA A 355 -1.831 -5.697 -4.182 1.00 0.00 N ATOM 607 CA ALA A 355 -0.641 -6.502 -4.422 1.00 0.00 C ATOM 608 C ALA A 355 -0.822 -7.915 -3.890 1.00 0.00 C ATOM 609 O ALA A 355 -0.296 -8.877 -4.452 1.00 0.00 O ATOM 610 CB ALA A 355 0.565 -5.851 -3.768 1.00 0.00 C ATOM 0 H ALA A 355 -1.680 -4.897 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.480 -6.561 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.451 -6.459 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.714 -4.856 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.397 -5.770 -2.694 1.00 0.00 H new ATOM 616 N GLN A 356 -1.565 -8.023 -2.799 1.00 0.00 N ATOM 617 CA GLN A 356 -1.864 -9.310 -2.194 1.00 0.00 C ATOM 618 C GLN A 356 -2.853 -10.084 -3.063 1.00 0.00 C ATOM 619 O GLN A 356 -2.685 -11.280 -3.295 1.00 0.00 O ATOM 620 CB GLN A 356 -2.427 -9.103 -0.788 1.00 0.00 C ATOM 621 CG GLN A 356 -1.490 -8.317 0.116 1.00 0.00 C ATOM 622 CD GLN A 356 -2.108 -7.989 1.461 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.931 -8.739 1.984 1.00 0.00 O ATOM 624 NE2 GLN A 356 -1.719 -6.858 2.029 1.00 0.00 N ATOM 0 H GLN A 356 -1.975 -7.226 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.946 -9.893 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.380 -8.579 -0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.629 -10.074 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.576 -8.891 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.204 -7.391 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.034 -6.263 1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.104 -6.582 2.932 1.00 0.00 H new ATOM 633 N LYS A 357 -3.875 -9.386 -3.554 1.00 0.00 N ATOM 634 CA LYS A 357 -4.864 -9.995 -4.440 1.00 0.00 C ATOM 635 C LYS A 357 -4.224 -10.415 -5.759 1.00 0.00 C ATOM 636 O LYS A 357 -4.488 -11.501 -6.274 1.00 0.00 O ATOM 637 CB LYS A 357 -6.024 -9.031 -4.725 1.00 0.00 C ATOM 638 CG LYS A 357 -7.207 -9.122 -3.760 1.00 0.00 C ATOM 639 CD LYS A 357 -6.944 -8.416 -2.437 1.00 0.00 C ATOM 640 CE LYS A 357 -6.190 -9.291 -1.446 1.00 0.00 C ATOM 641 NZ LYS A 357 -6.989 -10.467 -1.019 1.00 0.00 N ATOM 0 H LYS A 357 -4.040 -8.400 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.255 -10.876 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.639 -8.011 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.387 -9.216 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.088 -8.686 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.434 -10.171 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -6.372 -7.507 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -7.894 -8.111 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -5.259 -9.631 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -5.921 -8.699 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -6.630 -10.818 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -7.986 -10.190 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -6.911 -11.218 -1.734 1.00 0.00 H new ATOM 655 N ALA A 358 -3.387 -9.539 -6.304 1.00 0.00 N ATOM 656 CA ALA A 358 -2.721 -9.796 -7.575 1.00 0.00 C ATOM 657 C ALA A 358 -1.650 -10.870 -7.428 1.00 0.00 C ATOM 658 O ALA A 358 -1.425 -11.667 -8.341 1.00 0.00 O ATOM 659 CB ALA A 358 -2.110 -8.511 -8.111 1.00 0.00 C ATOM 0 H ALA A 358 -3.153 -8.640 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.466 -10.160 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.614 -8.712 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.895 -7.770 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.382 -8.128 -7.396 1.00 0.00 H new ATOM 665 N GLY A 359 -0.996 -10.886 -6.272 1.00 0.00 N ATOM 666 CA GLY A 359 0.046 -11.859 -6.021 1.00 0.00 C ATOM 667 C GLY A 359 1.300 -11.553 -6.809 1.00 0.00 C ATOM 668 O GLY A 359 1.933 -12.451 -7.363 1.00 0.00 O ATOM 0 H GLY A 359 -1.171 -10.239 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.280 -11.875 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.314 -12.854 -6.283 1.00 0.00 H new ATOM 672 N LEU A 360 1.658 -10.278 -6.870 1.00 0.00 N ATOM 673 CA LEU A 360 2.831 -9.854 -7.623 1.00 0.00 C ATOM 674 C LEU A 360 4.083 -9.866 -6.752 1.00 0.00 C ATOM 675 O LEU A 360 4.041 -10.283 -5.592 1.00 0.00 O ATOM 676 CB LEU A 360 2.600 -8.473 -8.254 1.00 0.00 C ATOM 677 CG LEU A 360 2.002 -7.401 -7.335 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.043 -6.845 -6.374 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.393 -6.286 -8.167 1.00 0.00 C ATOM 0 H LEU A 360 1.155 -9.520 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 360 2.991 -10.569 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.553 -8.106 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.940 -8.595 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 360 1.220 -7.866 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.584 -6.088 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.433 -7.652 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.859 -6.396 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.970 -5.529 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.165 -5.834 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.606 -6.694 -8.802 1.00 0.00 H new ATOM 691 N TYR A 361 5.191 -9.396 -7.312 1.00 0.00 N ATOM 692 CA TYR A 361 6.483 -9.480 -6.651 1.00 0.00 C ATOM 693 C TYR A 361 6.646 -8.401 -5.587 1.00 0.00 C ATOM 694 O TYR A 361 6.596 -7.203 -5.878 1.00 0.00 O ATOM 695 CB TYR A 361 7.608 -9.365 -7.683 1.00 0.00 C ATOM 696 CG TYR A 361 8.995 -9.519 -7.097 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.584 -10.771 -6.985 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.712 -8.415 -6.661 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.850 -10.919 -6.451 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.980 -8.552 -6.127 1.00 0.00 C ATOM 701 CZ TYR A 361 11.543 -9.807 -6.025 1.00 0.00 C ATOM 702 OH TYR A 361 12.804 -9.948 -5.494 1.00 0.00 O ATOM 0 H TYR A 361 5.218 -8.950 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 361 6.537 -10.449 -6.155 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.462 -10.124 -8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.538 -8.395 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.044 -11.644 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.273 -7.432 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.293 -11.900 -6.368 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.526 -7.682 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 361 13.330 -9.143 -5.682 1.00 0.00 H new ATOM 712 N MET A 362 6.830 -8.838 -4.353 1.00 0.00 N ATOM 713 CA MET A 362 7.178 -7.945 -3.262 1.00 0.00 C ATOM 714 C MET A 362 8.419 -8.450 -2.539 1.00 0.00 C ATOM 715 O MET A 362 8.436 -9.563 -2.005 1.00 0.00 O ATOM 716 CB MET A 362 6.025 -7.802 -2.267 1.00 0.00 C ATOM 717 CG MET A 362 5.069 -6.670 -2.594 1.00 0.00 C ATOM 718 SD MET A 362 3.851 -6.398 -1.290 1.00 0.00 S ATOM 719 CE MET A 362 3.180 -4.811 -1.779 1.00 0.00 C ATOM 0 H MET A 362 6.743 -9.817 -4.080 1.00 0.00 H new ATOM 0 HA MET A 362 7.383 -6.965 -3.692 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.467 -8.738 -2.235 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.436 -7.641 -1.270 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.637 -5.753 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.553 -6.892 -3.528 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.121 -4.769 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.711 -4.015 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.299 -4.681 -2.855 1.00 0.00 H new ATOM 729 N LYS A 363 9.460 -7.635 -2.547 1.00 0.00 N ATOM 730 CA LYS A 363 10.679 -7.929 -1.815 1.00 0.00 C ATOM 731 C LYS A 363 10.488 -7.531 -0.362 1.00 0.00 C ATOM 732 O LYS A 363 10.031 -6.425 -0.081 1.00 0.00 O ATOM 733 CB LYS A 363 11.857 -7.155 -2.415 1.00 0.00 C ATOM 734 CG LYS A 363 12.995 -8.036 -2.903 1.00 0.00 C ATOM 735 CD LYS A 363 13.561 -8.900 -1.787 1.00 0.00 C ATOM 736 CE LYS A 363 14.791 -9.666 -2.244 1.00 0.00 C ATOM 737 NZ LYS A 363 15.926 -8.752 -2.543 1.00 0.00 N ATOM 0 H LYS A 363 9.484 -6.754 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 363 10.895 -8.995 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.495 -6.553 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.243 -6.464 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 363 12.639 -8.674 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.787 -7.411 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.819 -8.272 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 363 12.799 -9.602 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.088 -10.374 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 363 14.548 -10.248 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.812 -9.296 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.771 -8.297 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.989 -8.023 -1.804 1.00 0.00 H new ATOM 751 N MET A 364 10.825 -8.416 0.556 1.00 0.00 N ATOM 752 CA MET A 364 10.642 -8.143 1.967 1.00 0.00 C ATOM 753 C MET A 364 11.899 -8.542 2.711 1.00 0.00 C ATOM 754 O MET A 364 12.169 -9.733 2.884 1.00 0.00 O ATOM 755 CB MET A 364 9.454 -8.925 2.552 1.00 0.00 C ATOM 756 CG MET A 364 8.247 -9.061 1.637 1.00 0.00 C ATOM 757 SD MET A 364 6.792 -8.202 2.266 1.00 0.00 S ATOM 758 CE MET A 364 5.526 -8.869 1.190 1.00 0.00 C ATOM 0 H MET A 364 11.227 -9.330 0.349 1.00 0.00 H new ATOM 0 HA MET A 364 10.438 -7.078 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 364 9.797 -9.923 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.137 -8.435 3.473 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.498 -8.668 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.012 -10.118 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 364 4.842 -8.073 0.896 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.991 -9.294 0.301 1.00 0.00 H new ATOM 0 HE3 MET A 364 4.973 -9.647 1.717 1.00 0.00 H new ATOM 768 N GLU A 365 12.675 -7.568 3.131 1.00 0.00 N ATOM 769 CA GLU A 365 13.886 -7.853 3.871 1.00 0.00 C ATOM 770 C GLU A 365 13.871 -7.111 5.201 1.00 0.00 C ATOM 771 O GLU A 365 13.754 -5.886 5.233 1.00 0.00 O ATOM 772 CB GLU A 365 15.095 -7.432 3.041 1.00 0.00 C ATOM 773 CG GLU A 365 15.245 -8.190 1.733 1.00 0.00 C ATOM 774 CD GLU A 365 16.425 -7.699 0.917 1.00 0.00 C ATOM 775 OE1 GLU A 365 17.552 -7.657 1.456 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.232 -7.357 -0.271 1.00 0.00 O ATOM 0 H GLU A 365 12.492 -6.577 2.975 1.00 0.00 H new ATOM 0 HA GLU A 365 13.946 -8.922 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.020 -6.366 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.997 -7.573 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.368 -9.252 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.332 -8.085 1.147 1.00 0.00 H new ATOM 783 N PRO A 366 13.990 -7.840 6.318 1.00 0.00 N ATOM 784 CA PRO A 366 13.968 -7.249 7.648 1.00 0.00 C ATOM 785 C PRO A 366 15.358 -6.869 8.157 1.00 0.00 C ATOM 786 O PRO A 366 16.324 -7.615 7.994 1.00 0.00 O ATOM 787 CB PRO A 366 13.373 -8.373 8.491 1.00 0.00 C ATOM 788 CG PRO A 366 13.839 -9.634 7.836 1.00 0.00 C ATOM 789 CD PRO A 366 14.108 -9.309 6.382 1.00 0.00 C ATOM 0 HA PRO A 366 13.409 -6.314 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 366 13.715 -8.315 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 366 12.285 -8.318 8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 366 14.741 -10.009 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 366 13.083 -10.415 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.099 -9.644 6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 366 13.389 -9.796 5.724 1.00 0.00 H new ATOM 797 N VAL A 367 15.448 -5.700 8.766 1.00 0.00 N ATOM 798 CA VAL A 367 16.688 -5.236 9.366 1.00 0.00 C ATOM 799 C VAL A 367 16.420 -4.663 10.750 1.00 0.00 C ATOM 800 O VAL A 367 15.425 -3.971 10.968 1.00 0.00 O ATOM 801 CB VAL A 367 17.404 -4.176 8.495 1.00 0.00 C ATOM 802 CG1 VAL A 367 18.098 -4.836 7.314 1.00 0.00 C ATOM 803 CG2 VAL A 367 16.424 -3.117 8.009 1.00 0.00 C ATOM 0 H VAL A 367 14.669 -5.048 8.859 1.00 0.00 H new ATOM 0 HA VAL A 367 17.348 -6.100 9.443 1.00 0.00 H new ATOM 0 HB VAL A 367 18.157 -3.686 9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 367 18.596 -4.075 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.836 -5.551 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.360 -5.356 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 367 16.953 -2.384 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 367 15.644 -3.590 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 367 15.973 -2.618 8.867 1.00 0.00 H new ATOM 813 N LYS A 368 17.293 -4.972 11.692 1.00 0.00 N ATOM 814 CA LYS A 368 17.139 -4.478 13.048 1.00 0.00 C ATOM 815 C LYS A 368 17.987 -3.235 13.255 1.00 0.00 C ATOM 816 O LYS A 368 19.187 -3.232 12.980 1.00 0.00 O ATOM 817 CB LYS A 368 17.519 -5.548 14.070 1.00 0.00 C ATOM 818 CG LYS A 368 17.314 -5.101 15.509 1.00 0.00 C ATOM 819 CD LYS A 368 17.651 -6.205 16.497 1.00 0.00 C ATOM 820 CE LYS A 368 16.721 -7.399 16.350 1.00 0.00 C ATOM 821 NZ LYS A 368 16.964 -8.419 17.403 1.00 0.00 N ATOM 0 H LYS A 368 18.113 -5.560 11.544 1.00 0.00 H new ATOM 0 HA LYS A 368 16.090 -4.222 13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 368 16.926 -6.444 13.886 1.00 0.00 H new ATOM 0 HB3 LYS A 368 18.564 -5.823 13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 368 17.937 -4.230 15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 368 16.278 -4.792 15.649 1.00 0.00 H new ATOM 0 HD2 LYS A 368 18.681 -6.526 16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 368 17.585 -5.816 17.513 1.00 0.00 H new ATOM 0 HE2 LYS A 368 15.686 -7.062 16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 368 16.861 -7.850 15.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 16.311 -9.218 17.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 17.945 -8.759 17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 16.806 -7.995 18.340 1.00 0.00 H new ATOM 835 N GLU A 369 17.356 -2.182 13.728 1.00 0.00 N ATOM 836 CA GLU A 369 18.031 -0.923 13.967 1.00 0.00 C ATOM 837 C GLU A 369 17.930 -0.534 15.436 1.00 0.00 C ATOM 838 O GLU A 369 17.330 -1.248 16.235 1.00 0.00 O ATOM 839 CB GLU A 369 17.475 0.181 13.074 1.00 0.00 C ATOM 840 CG GLU A 369 17.528 -0.153 11.595 1.00 0.00 C ATOM 841 CD GLU A 369 17.215 1.037 10.721 1.00 0.00 C ATOM 842 OE1 GLU A 369 16.028 1.395 10.592 1.00 0.00 O ATOM 843 OE2 GLU A 369 18.160 1.621 10.159 1.00 0.00 O ATOM 0 H GLU A 369 16.362 -2.174 13.958 1.00 0.00 H new ATOM 0 HA GLU A 369 19.084 -1.052 13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.441 0.380 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 369 18.036 1.098 13.252 1.00 0.00 H new ATOM 0 HG2 GLU A 369 18.520 -0.531 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 369 16.819 -0.953 11.381 1.00 0.00 H new ATOM 850 N LEU A 370 18.554 0.577 15.777 1.00 0.00 N ATOM 851 CA LEU A 370 18.686 1.017 17.166 1.00 0.00 C ATOM 852 C LEU A 370 18.394 2.511 17.323 1.00 0.00 C ATOM 853 O LEU A 370 18.002 2.973 18.394 1.00 0.00 O ATOM 854 CB LEU A 370 20.098 0.713 17.663 1.00 0.00 C ATOM 855 CG LEU A 370 20.390 1.157 19.095 1.00 0.00 C ATOM 856 CD1 LEU A 370 19.536 0.380 20.081 1.00 0.00 C ATOM 857 CD2 LEU A 370 21.861 0.980 19.404 1.00 0.00 C ATOM 0 H LEU A 370 18.987 1.207 15.102 1.00 0.00 H new ATOM 0 HA LEU A 370 17.952 0.473 17.761 1.00 0.00 H new ATOM 0 HB2 LEU A 370 20.269 -0.361 17.590 1.00 0.00 H new ATOM 0 HB3 LEU A 370 20.813 1.195 16.996 1.00 0.00 H new ATOM 0 HG LEU A 370 20.139 2.213 19.191 1.00 0.00 H new ATOM 0 HD11 LEU A 370 19.759 0.711 21.095 1.00 0.00 H new ATOM 0 HD12 LEU A 370 18.482 0.555 19.866 1.00 0.00 H new ATOM 0 HD13 LEU A 370 19.753 -0.684 19.991 1.00 0.00 H new ATOM 0 HD21 LEU A 370 22.059 1.299 20.427 1.00 0.00 H new ATOM 0 HD22 LEU A 370 22.132 -0.070 19.293 1.00 0.00 H new ATOM 0 HD23 LEU A 370 22.453 1.583 18.715 1.00 0.00 H new ATOM 869 N THR A 371 18.629 3.261 16.266 1.00 0.00 N ATOM 870 CA THR A 371 18.356 4.689 16.249 1.00 0.00 C ATOM 871 C THR A 371 16.862 4.958 16.420 1.00 0.00 C ATOM 872 O THR A 371 16.053 4.554 15.589 1.00 0.00 O ATOM 873 CB THR A 371 18.833 5.313 14.924 1.00 0.00 C ATOM 874 OG1 THR A 371 20.135 4.809 14.593 1.00 0.00 O ATOM 875 CG2 THR A 371 18.891 6.829 15.023 1.00 0.00 C ATOM 0 H THR A 371 19.015 2.901 15.393 1.00 0.00 H new ATOM 0 HA THR A 371 18.898 5.141 17.080 1.00 0.00 H new ATOM 0 HB THR A 371 18.120 5.043 14.145 1.00 0.00 H new ATOM 0 HG1 THR A 371 20.435 5.206 13.749 1.00 0.00 H new ATOM 0 HG21 THR A 371 19.231 7.243 14.074 1.00 0.00 H new ATOM 0 HG22 THR A 371 17.899 7.217 15.254 1.00 0.00 H new ATOM 0 HG23 THR A 371 19.585 7.116 15.813 1.00 0.00 H new ATOM 883 N GLY A 372 16.509 5.641 17.500 1.00 0.00 N ATOM 884 CA GLY A 372 15.117 5.949 17.763 1.00 0.00 C ATOM 885 C GLY A 372 14.746 5.744 19.218 1.00 0.00 C ATOM 886 O GLY A 372 13.585 5.491 19.542 1.00 0.00 O ATOM 0 H GLY A 372 17.164 5.988 18.201 1.00 0.00 H new ATOM 0 HA2 GLY A 372 14.917 6.983 17.482 1.00 0.00 H new ATOM 0 HA3 GLY A 372 14.484 5.320 17.137 1.00 0.00 H new ATOM 890 N GLY A 373 15.735 5.849 20.097 1.00 0.00 N ATOM 891 CA GLY A 373 15.498 5.666 21.516 1.00 0.00 C ATOM 892 C GLY A 373 15.522 4.209 21.925 1.00 0.00 C ATOM 893 O GLY A 373 15.308 3.874 23.092 1.00 0.00 O ATOM 0 H GLY A 373 16.702 6.059 19.850 1.00 0.00 H new ATOM 0 HA2 GLY A 373 16.255 6.211 22.081 1.00 0.00 H new ATOM 0 HA3 GLY A 373 14.532 6.098 21.778 1.00 0.00 H new ATOM 897 N GLY A 374 15.795 3.345 20.965 1.00 0.00 N ATOM 898 CA GLY A 374 15.803 1.920 21.211 1.00 0.00 C ATOM 899 C GLY A 374 15.742 1.155 19.913 1.00 0.00 C ATOM 900 O GLY A 374 15.585 1.762 18.857 1.00 0.00 O ATOM 0 H GLY A 374 16.015 3.609 20.005 1.00 0.00 H new ATOM 0 HA2 GLY A 374 16.705 1.645 21.759 1.00 0.00 H new ATOM 0 HA3 GLY A 374 14.954 1.649 21.839 1.00 0.00 H new ATOM 904 N THR A 375 15.861 -0.161 19.984 1.00 0.00 N ATOM 905 CA THR A 375 15.860 -0.996 18.789 1.00 0.00 C ATOM 906 C THR A 375 14.588 -0.794 17.969 1.00 0.00 C ATOM 907 O THR A 375 13.482 -0.771 18.512 1.00 0.00 O ATOM 908 CB THR A 375 16.002 -2.486 19.157 1.00 0.00 C ATOM 909 OG1 THR A 375 15.054 -2.826 20.180 1.00 0.00 O ATOM 910 CG2 THR A 375 17.413 -2.794 19.638 1.00 0.00 C ATOM 0 H THR A 375 15.960 -0.677 20.858 1.00 0.00 H new ATOM 0 HA THR A 375 16.716 -0.693 18.186 1.00 0.00 H new ATOM 0 HB THR A 375 15.805 -3.081 18.265 1.00 0.00 H new ATOM 0 HG1 THR A 375 15.147 -3.774 20.410 1.00 0.00 H new ATOM 0 HG21 THR A 375 17.488 -3.851 19.892 1.00 0.00 H new ATOM 0 HG22 THR A 375 18.126 -2.559 18.848 1.00 0.00 H new ATOM 0 HG23 THR A 375 17.636 -2.193 20.519 1.00 0.00 H new ATOM 918 N THR A 376 14.756 -0.669 16.661 1.00 0.00 N ATOM 919 CA THR A 376 13.672 -0.375 15.773 1.00 0.00 C ATOM 920 C THR A 376 13.599 -1.443 14.708 1.00 0.00 C ATOM 921 O THR A 376 14.567 -1.733 14.001 1.00 0.00 O ATOM 922 CB THR A 376 13.822 1.015 15.115 1.00 0.00 C ATOM 923 OG1 THR A 376 14.946 1.040 14.234 1.00 0.00 O ATOM 924 CG2 THR A 376 14.017 2.078 16.171 1.00 0.00 C ATOM 0 H THR A 376 15.658 -0.772 16.196 1.00 0.00 H new ATOM 0 HA THR A 376 12.752 -0.360 16.357 1.00 0.00 H new ATOM 0 HB THR A 376 12.911 1.214 14.550 1.00 0.00 H new ATOM 0 HG1 THR A 376 14.643 0.898 13.313 1.00 0.00 H new ATOM 0 HG21 THR A 376 14.121 3.052 15.692 1.00 0.00 H new ATOM 0 HG22 THR A 376 13.154 2.092 16.837 1.00 0.00 H new ATOM 0 HG23 THR A 376 14.916 1.859 16.746 1.00 0.00 H new ATOM 932 N PHE A 377 12.469 -2.074 14.677 1.00 0.00 N ATOM 933 CA PHE A 377 12.164 -3.056 13.665 1.00 0.00 C ATOM 934 C PHE A 377 11.893 -2.369 12.335 1.00 0.00 C ATOM 935 O PHE A 377 10.876 -1.688 12.168 1.00 0.00 O ATOM 936 CB PHE A 377 10.955 -3.883 14.085 1.00 0.00 C ATOM 937 CG PHE A 377 10.898 -5.203 13.387 1.00 0.00 C ATOM 938 CD1 PHE A 377 11.822 -6.178 13.695 1.00 0.00 C ATOM 939 CD2 PHE A 377 9.937 -5.465 12.429 1.00 0.00 C ATOM 940 CE1 PHE A 377 11.796 -7.404 13.059 1.00 0.00 C ATOM 941 CE2 PHE A 377 9.902 -6.687 11.785 1.00 0.00 C ATOM 942 CZ PHE A 377 10.832 -7.660 12.102 1.00 0.00 C ATOM 0 H PHE A 377 11.721 -1.927 15.355 1.00 0.00 H new ATOM 0 HA PHE A 377 13.020 -3.720 13.549 1.00 0.00 H new ATOM 0 HB2 PHE A 377 10.986 -4.046 15.162 1.00 0.00 H new ATOM 0 HB3 PHE A 377 10.044 -3.323 13.873 1.00 0.00 H new ATOM 0 HD1 PHE A 377 12.576 -5.981 14.443 1.00 0.00 H new ATOM 0 HD2 PHE A 377 9.207 -4.708 12.182 1.00 0.00 H new ATOM 0 HE1 PHE A 377 12.526 -8.160 13.309 1.00 0.00 H new ATOM 0 HE2 PHE A 377 9.149 -6.882 11.035 1.00 0.00 H new ATOM 0 HZ PHE A 377 10.805 -8.618 11.603 1.00 0.00 H new ATOM 952 N SER A 378 12.805 -2.539 11.400 1.00 0.00 N ATOM 953 CA SER A 378 12.668 -1.939 10.091 1.00 0.00 C ATOM 954 C SER A 378 12.641 -3.010 9.016 1.00 0.00 C ATOM 955 O SER A 378 13.315 -4.035 9.124 1.00 0.00 O ATOM 956 CB SER A 378 13.818 -0.966 9.839 1.00 0.00 C ATOM 957 OG SER A 378 13.828 0.067 10.811 1.00 0.00 O ATOM 0 H SER A 378 13.653 -3.091 11.525 1.00 0.00 H new ATOM 0 HA SER A 378 11.727 -1.391 10.055 1.00 0.00 H new ATOM 0 HB2 SER A 378 14.766 -1.503 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 378 13.722 -0.533 8.843 1.00 0.00 H new ATOM 0 HG SER A 378 14.737 0.420 10.904 1.00 0.00 H new ATOM 963 N VAL A 379 11.840 -2.790 7.994 1.00 0.00 N ATOM 964 CA VAL A 379 11.799 -3.698 6.868 1.00 0.00 C ATOM 965 C VAL A 379 11.960 -2.909 5.589 1.00 0.00 C ATOM 966 O VAL A 379 11.329 -1.868 5.406 1.00 0.00 O ATOM 967 CB VAL A 379 10.474 -4.481 6.779 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.609 -5.675 5.848 1.00 0.00 C ATOM 969 CG2 VAL A 379 9.982 -4.916 8.154 1.00 0.00 C ATOM 0 H VAL A 379 11.210 -1.991 7.920 1.00 0.00 H new ATOM 0 HA VAL A 379 12.608 -4.415 7.009 1.00 0.00 H new ATOM 0 HB VAL A 379 9.725 -3.807 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.661 -6.210 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.879 -5.330 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.385 -6.343 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.046 -5.465 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 379 10.729 -5.558 8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 379 9.819 -4.037 8.777 1.00 0.00 H new ATOM 979 N ARG A 380 12.799 -3.400 4.713 1.00 0.00 N ATOM 980 CA ARG A 380 12.971 -2.781 3.414 1.00 0.00 C ATOM 981 C ARG A 380 12.138 -3.557 2.406 1.00 0.00 C ATOM 982 O ARG A 380 12.536 -4.610 1.906 1.00 0.00 O ATOM 983 CB ARG A 380 14.452 -2.701 3.001 1.00 0.00 C ATOM 984 CG ARG A 380 15.147 -4.045 2.881 1.00 0.00 C ATOM 985 CD ARG A 380 16.580 -3.908 2.388 1.00 0.00 C ATOM 986 NE ARG A 380 17.446 -3.237 3.359 1.00 0.00 N ATOM 987 CZ ARG A 380 18.569 -3.764 3.844 1.00 0.00 C ATOM 988 NH1 ARG A 380 18.948 -4.985 3.478 1.00 0.00 N ATOM 989 NH2 ARG A 380 19.315 -3.069 4.695 1.00 0.00 N ATOM 0 H ARG A 380 13.376 -4.226 4.871 1.00 0.00 H new ATOM 0 HA ARG A 380 12.626 -1.748 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 380 14.521 -2.184 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.987 -2.094 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 380 15.144 -4.542 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.588 -4.682 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 380 16.982 -4.898 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 380 16.587 -3.349 1.453 1.00 0.00 H new ATOM 0 HE ARG A 380 17.173 -2.310 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 380 18.378 -5.521 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 380 19.809 -5.385 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 380 19.028 -2.132 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 380 20.175 -3.472 5.067 1.00 0.00 H new ATOM 1003 N LYS A 381 10.944 -3.064 2.165 1.00 0.00 N ATOM 1004 CA LYS A 381 10.004 -3.760 1.319 1.00 0.00 C ATOM 1005 C LYS A 381 9.929 -3.080 -0.040 1.00 0.00 C ATOM 1006 O LYS A 381 9.557 -1.914 -0.146 1.00 0.00 O ATOM 1007 CB LYS A 381 8.629 -3.795 1.992 1.00 0.00 C ATOM 1008 CG LYS A 381 7.680 -4.828 1.407 1.00 0.00 C ATOM 1009 CD LYS A 381 6.362 -4.870 2.166 1.00 0.00 C ATOM 1010 CE LYS A 381 5.609 -3.548 2.088 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.329 -3.596 2.843 1.00 0.00 N ATOM 0 H LYS A 381 10.601 -2.181 2.544 1.00 0.00 H new ATOM 0 HA LYS A 381 10.339 -4.786 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.761 -3.999 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 381 8.171 -2.809 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.490 -4.596 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.149 -5.812 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.737 -5.666 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.554 -5.115 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.235 -2.749 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 381 5.407 -3.306 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 3.846 -2.678 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.721 -4.342 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.524 -3.802 3.844 1.00 0.00 H new ATOM 1025 N THR A 382 10.298 -3.813 -1.071 1.00 0.00 N ATOM 1026 CA THR A 382 10.371 -3.262 -2.413 1.00 0.00 C ATOM 1027 C THR A 382 9.392 -3.973 -3.335 1.00 0.00 C ATOM 1028 O THR A 382 9.521 -5.169 -3.592 1.00 0.00 O ATOM 1029 CB THR A 382 11.799 -3.387 -2.973 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.733 -2.852 -2.027 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.936 -2.647 -4.296 1.00 0.00 C ATOM 0 H THR A 382 10.554 -4.798 -1.006 1.00 0.00 H new ATOM 0 HA THR A 382 10.105 -2.206 -2.361 1.00 0.00 H new ATOM 0 HB THR A 382 12.008 -4.443 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.642 -2.933 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.955 -2.753 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.239 -3.067 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.712 -1.591 -4.147 1.00 0.00 H new ATOM 1039 N ALA A 383 8.408 -3.241 -3.821 1.00 0.00 N ATOM 1040 CA ALA A 383 7.373 -3.830 -4.649 1.00 0.00 C ATOM 1041 C ALA A 383 7.503 -3.396 -6.100 1.00 0.00 C ATOM 1042 O ALA A 383 7.843 -2.246 -6.397 1.00 0.00 O ATOM 1043 CB ALA A 383 5.999 -3.463 -4.112 1.00 0.00 C ATOM 0 H ALA A 383 8.303 -2.240 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 383 7.495 -4.913 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.231 -3.911 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.895 -3.835 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.885 -2.379 -4.116 1.00 0.00 H new ATOM 1049 N TYR A 384 7.250 -4.326 -6.998 1.00 0.00 N ATOM 1050 CA TYR A 384 7.170 -4.026 -8.411 1.00 0.00 C ATOM 1051 C TYR A 384 5.818 -4.484 -8.932 1.00 0.00 C ATOM 1052 O TYR A 384 5.329 -5.543 -8.539 1.00 0.00 O ATOM 1053 CB TYR A 384 8.296 -4.714 -9.189 1.00 0.00 C ATOM 1054 CG TYR A 384 9.691 -4.222 -8.852 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.159 -2.990 -9.309 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.547 -4.998 -8.079 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.436 -2.558 -9.005 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.825 -4.570 -7.775 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.262 -3.349 -8.240 1.00 0.00 C ATOM 1060 OH TYR A 384 13.532 -2.913 -7.937 1.00 0.00 O ATOM 0 H TYR A 384 7.095 -5.308 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 384 7.282 -2.951 -8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.248 -5.786 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.123 -4.571 -10.256 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.514 -2.365 -9.909 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.206 -5.954 -7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.785 -1.602 -9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.477 -5.189 -7.177 1.00 0.00 H new ATOM 0 HH TYR A 384 13.987 -3.586 -7.389 1.00 0.00 H new ATOM 1070 N CYS A 385 5.206 -3.683 -9.796 1.00 0.00 N ATOM 1071 CA CYS A 385 3.893 -4.022 -10.346 1.00 0.00 C ATOM 1072 C CYS A 385 3.949 -5.316 -11.168 1.00 0.00 C ATOM 1073 O CYS A 385 5.021 -5.738 -11.602 1.00 0.00 O ATOM 1074 CB CYS A 385 3.343 -2.853 -11.175 1.00 0.00 C ATOM 1075 SG CYS A 385 4.535 -2.089 -12.312 1.00 0.00 S ATOM 0 H CYS A 385 5.592 -2.800 -10.131 1.00 0.00 H new ATOM 0 HA CYS A 385 3.210 -4.200 -9.515 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.489 -3.207 -11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.972 -2.087 -10.494 1.00 0.00 H new ATOM 1080 N ASP A 386 2.782 -5.934 -11.364 1.00 0.00 N ATOM 1081 CA ASP A 386 2.664 -7.272 -11.979 1.00 0.00 C ATOM 1082 C ASP A 386 3.530 -7.450 -13.226 1.00 0.00 C ATOM 1083 O ASP A 386 4.242 -8.445 -13.361 1.00 0.00 O ATOM 1084 CB ASP A 386 1.216 -7.564 -12.366 1.00 0.00 C ATOM 1085 CG ASP A 386 0.268 -7.578 -11.192 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.145 -8.638 -10.539 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.379 -6.541 -10.938 1.00 0.00 O ATOM 0 H ASP A 386 1.885 -5.525 -11.102 1.00 0.00 H new ATOM 0 HA ASP A 386 3.016 -7.969 -11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.882 -6.814 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 386 1.171 -8.529 -12.870 1.00 0.00 H new ATOM 1092 N VAL A 387 3.467 -6.488 -14.138 1.00 0.00 N ATOM 1093 CA VAL A 387 4.170 -6.598 -15.416 1.00 0.00 C ATOM 1094 C VAL A 387 5.487 -5.830 -15.395 1.00 0.00 C ATOM 1095 O VAL A 387 6.027 -5.461 -16.437 1.00 0.00 O ATOM 1096 CB VAL A 387 3.296 -6.080 -16.579 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.078 -6.970 -16.767 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.870 -4.636 -16.343 1.00 0.00 C ATOM 0 H VAL A 387 2.938 -5.624 -14.020 1.00 0.00 H new ATOM 0 HA VAL A 387 4.382 -7.656 -15.571 1.00 0.00 H new ATOM 0 HB VAL A 387 3.894 -6.111 -17.490 1.00 0.00 H new ATOM 0 HG11 VAL A 387 1.473 -6.590 -17.591 1.00 0.00 H new ATOM 0 HG12 VAL A 387 2.401 -7.986 -16.993 1.00 0.00 H new ATOM 0 HG13 VAL A 387 1.485 -6.973 -15.853 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.256 -4.297 -17.177 1.00 0.00 H new ATOM 0 HG22 VAL A 387 2.295 -4.573 -15.419 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.755 -4.004 -16.263 1.00 0.00 H new ATOM 1108 N HIS A 388 6.010 -5.614 -14.201 1.00 0.00 N ATOM 1109 CA HIS A 388 7.219 -4.826 -14.024 1.00 0.00 C ATOM 1110 C HIS A 388 8.432 -5.735 -13.828 1.00 0.00 C ATOM 1111 O HIS A 388 9.553 -5.375 -14.184 1.00 0.00 O ATOM 1112 CB HIS A 388 7.042 -3.908 -12.812 1.00 0.00 C ATOM 1113 CG HIS A 388 8.002 -2.764 -12.737 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.602 -1.453 -12.483 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.352 -2.736 -12.838 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.693 -0.692 -12.436 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.755 -1.442 -12.649 1.00 0.00 N ATOM 0 H HIS A 388 5.614 -5.976 -13.333 1.00 0.00 H new ATOM 0 HA HIS A 388 7.391 -4.225 -14.917 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.027 -3.510 -12.822 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.141 -4.505 -11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.995 -3.582 -13.033 1.00 0.00 H new ATOM 0 HE1 HIS A 388 8.706 0.372 -12.252 1.00 0.00 H new ATOM 0 HE2 HIS A 388 10.720 -1.112 -12.670 1.00 0.00 H new ATOM 1125 N THR A 389 8.204 -6.907 -13.258 1.00 0.00 N ATOM 1126 CA THR A 389 9.292 -7.826 -12.953 1.00 0.00 C ATOM 1127 C THR A 389 9.682 -8.737 -14.128 1.00 0.00 C ATOM 1128 O THR A 389 10.870 -8.847 -14.426 1.00 0.00 O ATOM 1129 CB THR A 389 8.975 -8.679 -11.712 1.00 0.00 C ATOM 1130 OG1 THR A 389 7.559 -8.877 -11.594 1.00 0.00 O ATOM 1131 CG2 THR A 389 9.510 -8.016 -10.455 1.00 0.00 C ATOM 0 H THR A 389 7.278 -7.245 -12.997 1.00 0.00 H new ATOM 0 HA THR A 389 10.153 -7.190 -12.747 1.00 0.00 H new ATOM 0 HB THR A 389 9.462 -9.647 -11.830 1.00 0.00 H new ATOM 0 HG1 THR A 389 7.370 -9.422 -10.802 1.00 0.00 H new ATOM 0 HG21 THR A 389 9.275 -8.635 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 389 10.591 -7.901 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 389 9.048 -7.036 -10.336 1.00 0.00 H new ATOM 1139 N PRO A 390 8.714 -9.407 -14.817 1.00 0.00 N ATOM 1140 CA PRO A 390 9.032 -10.331 -15.917 1.00 0.00 C ATOM 1141 C PRO A 390 10.044 -9.762 -16.930 1.00 0.00 C ATOM 1142 O PRO A 390 10.980 -10.469 -17.309 1.00 0.00 O ATOM 1143 CB PRO A 390 7.675 -10.615 -16.569 1.00 0.00 C ATOM 1144 CG PRO A 390 6.681 -10.400 -15.479 1.00 0.00 C ATOM 1145 CD PRO A 390 7.253 -9.335 -14.580 1.00 0.00 C ATOM 0 HA PRO A 390 9.525 -11.230 -15.546 1.00 0.00 H new ATOM 0 HB2 PRO A 390 7.492 -9.946 -17.410 1.00 0.00 H new ATOM 0 HB3 PRO A 390 7.626 -11.633 -16.955 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.720 -10.088 -15.887 1.00 0.00 H new ATOM 0 HG3 PRO A 390 6.507 -11.323 -14.925 1.00 0.00 H new ATOM 0 HD2 PRO A 390 6.857 -8.350 -14.827 1.00 0.00 H new ATOM 0 HD3 PRO A 390 7.009 -9.523 -13.534 1.00 0.00 H new ATOM 1153 N PRO A 391 9.900 -8.495 -17.392 1.00 0.00 N ATOM 1154 CA PRO A 391 10.936 -7.854 -18.200 1.00 0.00 C ATOM 1155 C PRO A 391 12.119 -7.438 -17.335 1.00 0.00 C ATOM 1156 O PRO A 391 12.017 -6.512 -16.528 1.00 0.00 O ATOM 1157 CB PRO A 391 10.247 -6.618 -18.796 1.00 0.00 C ATOM 1158 CG PRO A 391 8.798 -6.756 -18.451 1.00 0.00 C ATOM 1159 CD PRO A 391 8.753 -7.592 -17.207 1.00 0.00 C ATOM 0 HA PRO A 391 11.334 -8.522 -18.964 1.00 0.00 H new ATOM 0 HB2 PRO A 391 10.663 -5.700 -18.381 1.00 0.00 H new ATOM 0 HB3 PRO A 391 10.390 -6.573 -19.876 1.00 0.00 H new ATOM 0 HG2 PRO A 391 8.341 -5.781 -18.284 1.00 0.00 H new ATOM 0 HG3 PRO A 391 8.246 -7.231 -19.262 1.00 0.00 H new ATOM 0 HD2 PRO A 391 8.854 -6.986 -16.306 1.00 0.00 H new ATOM 0 HD3 PRO A 391 7.815 -8.140 -17.119 1.00 0.00 H new ATOM 1167 N GLY A 392 13.225 -8.139 -17.483 1.00 0.00 N ATOM 1168 CA GLY A 392 14.381 -7.883 -16.652 1.00 0.00 C ATOM 1169 C GLY A 392 14.626 -9.005 -15.664 1.00 0.00 C ATOM 1170 O GLY A 392 15.764 -9.428 -15.463 1.00 0.00 O ATOM 0 H GLY A 392 13.346 -8.886 -18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 392 15.261 -7.756 -17.283 1.00 0.00 H new ATOM 0 HA3 GLY A 392 14.239 -6.947 -16.111 1.00 0.00 H new ATOM 1174 N SER A 393 13.560 -9.492 -15.042 1.00 0.00 N ATOM 1175 CA SER A 393 13.659 -10.621 -14.130 1.00 0.00 C ATOM 1176 C SER A 393 12.864 -11.812 -14.661 1.00 0.00 C ATOM 1177 O SER A 393 11.719 -12.039 -14.267 1.00 0.00 O ATOM 1178 CB SER A 393 13.168 -10.239 -12.728 1.00 0.00 C ATOM 1179 OG SER A 393 13.950 -9.193 -12.177 1.00 0.00 O ATOM 0 H SER A 393 12.616 -9.121 -15.154 1.00 0.00 H new ATOM 0 HA SER A 393 14.709 -10.904 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 393 12.124 -9.929 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 393 13.211 -11.111 -12.075 1.00 0.00 H new ATOM 0 HG SER A 393 13.614 -8.969 -11.284 1.00 0.00 H new ATOM 1185 N THR A 394 13.457 -12.536 -15.596 1.00 0.00 N ATOM 1186 CA THR A 394 12.861 -13.755 -16.109 1.00 0.00 C ATOM 1187 C THR A 394 13.563 -14.965 -15.495 1.00 0.00 C ATOM 1188 O THR A 394 14.761 -15.168 -15.791 1.00 0.00 O ATOM 1189 CB THR A 394 12.951 -13.826 -17.646 1.00 0.00 C ATOM 1190 OG1 THR A 394 12.410 -12.627 -18.228 1.00 0.00 O ATOM 1191 CG2 THR A 394 12.193 -15.034 -18.178 1.00 0.00 C ATOM 1192 OXT THR A 394 12.923 -15.690 -14.706 1.00 0.00 O ATOM 0 H THR A 394 14.355 -12.298 -16.016 1.00 0.00 H new ATOM 0 HA THR A 394 11.806 -13.758 -15.835 1.00 0.00 H new ATOM 0 HB THR A 394 14.002 -13.923 -17.920 1.00 0.00 H new ATOM 0 HG1 THR A 394 11.912 -12.128 -17.547 1.00 0.00 H new ATOM 0 HG21 THR A 394 12.271 -15.063 -19.265 1.00 0.00 H new ATOM 0 HG22 THR A 394 12.620 -15.945 -17.759 1.00 0.00 H new ATOM 0 HG23 THR A 394 11.144 -14.960 -17.891 1.00 0.00 H new TER 1200 THR A 394 HETATM 1201 ZN ZN A 401 -6.858 -1.056 -5.598 1.00 0.00 ZN HETATM 1202 ZN ZN A 402 5.702 -0.276 -12.651 1.00 0.00 ZN