USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 83 MET CE :methyl 180:sc= -1.08 (180deg=-0.679) USER MOD Set 1.2: A 111 SER OG : rot 39:sc= 0.131 USER MOD Set 2.1: A 64 ASN : amide:sc= -4.87! K(o=-6.5!,f=-7.1) USER MOD Set 2.2: A 71 HIS : no HD1:sc= -1.61 X(o=-6.5,f=-6.5) USER MOD Set 3.1: A 53 ASN : amide:sc= -0.404 X(o=-0.98,f=-0.92) USER MOD Set 3.2: A 59 SER OG : rot -83:sc= -0.573 USER MOD Single : A 17 GLN : amide:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.0595 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.63 F(o=-2.2!,f=-1.6) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc=-0.00912 (180deg=-0.176) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 49 CYS SG : rot 167:sc= -0.849 USER MOD Single : A 50 THR OG1 : rot 6:sc= 0.609 USER MOD Single : A 52 MET CE :methyl -174:sc= -4.15 (180deg=-4.47!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= -1.74! (180deg=-5.43!) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 22:sc= 0.0779 USER MOD Single : A 67 MET CE :methyl 163:sc= -0.0095 (180deg=-0.249) USER MOD Single : A 68 GLN : amide:sc= -2.06 K(o=-2.1,f=-5!) USER MOD Single : A 69 ASN : amide:sc= -4.36! C(o=-4.4!,f=-9.9!) USER MOD Single : A 72 GLN : amide:sc= -0.91 K(o=-0.91,f=-3.3!) USER MOD Single : A 75 ASN : amide:sc= -0.656 K(o=-0.66,f=-9.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0922 K(o=-0.092,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.0907 USER MOD Single : A 88 MET CE :methyl -119:sc= -2.3 (180deg=-3.53!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 97 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 102 SER OG : rot -6:sc= 0.809 USER MOD Single : A 104 ASN : amide:sc= -3.5! C(o=-3.5!,f=-5.6!) USER MOD Single : A 105 MET CE :methyl 160:sc= -0.871 (180deg=-2.45) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.25) USER MOD Single : A 109 GLN : amide:sc= 0.64 K(o=0.64,f=-0.94) USER MOD Single : A 118 LYS NZ :NH3+ -162:sc= -0.0474 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.046 -11.735 9.529 1.00 0.00 N ATOM 197 CA ASP A 15 6.228 -12.561 9.311 1.00 0.00 C ATOM 198 C ASP A 15 7.499 -11.719 9.376 1.00 0.00 C ATOM 199 O ASP A 15 7.579 -10.627 8.813 1.00 0.00 O ATOM 200 CB ASP A 15 6.138 -13.267 7.958 1.00 0.00 C ATOM 201 CG ASP A 15 6.972 -14.533 7.909 1.00 0.00 C ATOM 202 OD1 ASP A 15 6.599 -15.515 8.583 1.00 0.00 O ATOM 203 OD2 ASP A 15 7.998 -14.540 7.197 1.00 0.00 O ATOM 0 HA ASP A 15 6.270 -13.310 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.097 -13.513 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.469 -12.587 7.174 1.00 0.00 H new ATOM 208 N PRO A 16 8.516 -12.237 10.079 1.00 0.00 N ATOM 209 CA PRO A 16 9.802 -11.550 10.235 1.00 0.00 C ATOM 210 C PRO A 16 10.595 -11.503 8.934 1.00 0.00 C ATOM 211 O PRO A 16 11.364 -10.571 8.699 1.00 0.00 O ATOM 212 CB PRO A 16 10.533 -12.399 11.277 1.00 0.00 C ATOM 213 CG PRO A 16 9.930 -13.755 11.155 1.00 0.00 C ATOM 214 CD PRO A 16 8.490 -13.535 10.775 1.00 0.00 C ATOM 0 HA PRO A 16 9.675 -10.508 10.528 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.606 -12.424 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.399 -11.995 12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.447 -14.346 10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.007 -14.302 12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.119 -14.330 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.843 -13.508 11.651 1.00 0.00 H new ATOM 222 N GLN A 17 10.406 -12.515 8.093 1.00 0.00 N ATOM 223 CA GLN A 17 11.105 -12.589 6.816 1.00 0.00 C ATOM 224 C GLN A 17 10.411 -11.730 5.765 1.00 0.00 C ATOM 225 O GLN A 17 11.036 -10.880 5.130 1.00 0.00 O ATOM 226 CB GLN A 17 11.183 -14.039 6.336 1.00 0.00 C ATOM 227 CG GLN A 17 12.200 -14.877 7.095 1.00 0.00 C ATOM 228 CD GLN A 17 11.674 -15.361 8.432 1.00 0.00 C ATOM 229 OE1 GLN A 17 12.297 -15.144 9.473 1.00 0.00 O ATOM 230 NE2 GLN A 17 10.524 -16.023 8.411 1.00 0.00 N ATOM 0 H GLN A 17 9.774 -13.295 8.274 1.00 0.00 H new ATOM 0 HA GLN A 17 12.116 -12.207 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.200 -14.499 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.435 -14.049 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.483 -15.736 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.103 -14.288 7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.042 -16.180 7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.122 -16.375 9.280 1.00 0.00 H new ATOM 239 N LYS A 18 9.114 -11.956 5.586 1.00 0.00 N ATOM 240 CA LYS A 18 8.332 -11.202 4.612 1.00 0.00 C ATOM 241 C LYS A 18 8.670 -9.716 4.676 1.00 0.00 C ATOM 242 O LYS A 18 8.899 -9.079 3.648 1.00 0.00 O ATOM 243 CB LYS A 18 6.836 -11.407 4.861 1.00 0.00 C ATOM 244 CG LYS A 18 6.381 -12.845 4.685 1.00 0.00 C ATOM 245 CD LYS A 18 6.330 -13.238 3.218 1.00 0.00 C ATOM 246 CE LYS A 18 5.304 -14.334 2.969 1.00 0.00 C ATOM 247 NZ LYS A 18 5.441 -14.925 1.609 1.00 0.00 N ATOM 0 H LYS A 18 8.581 -12.656 6.103 1.00 0.00 H new ATOM 0 HA LYS A 18 8.583 -11.571 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.597 -11.080 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.272 -10.770 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.061 -13.510 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.395 -12.973 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.084 -12.364 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.314 -13.580 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.420 -15.117 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.300 -13.926 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.724 -15.667 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.305 -14.183 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.390 -15.338 1.504 1.00 0.00 H new ATOM 261 N GLU A 19 8.701 -9.173 5.888 1.00 0.00 N ATOM 262 CA GLU A 19 9.012 -7.762 6.083 1.00 0.00 C ATOM 263 C GLU A 19 10.148 -7.323 5.164 1.00 0.00 C ATOM 264 O GLU A 19 10.084 -6.261 4.544 1.00 0.00 O ATOM 265 CB GLU A 19 9.392 -7.498 7.542 1.00 0.00 C ATOM 266 CG GLU A 19 9.837 -6.069 7.806 1.00 0.00 C ATOM 267 CD GLU A 19 10.444 -5.892 9.184 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.126 -6.827 9.656 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.236 -4.820 9.792 1.00 0.00 O ATOM 0 H GLU A 19 8.515 -9.688 6.749 1.00 0.00 H new ATOM 0 HA GLU A 19 8.122 -7.183 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.537 -7.727 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.194 -8.178 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.566 -5.774 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.982 -5.401 7.701 1.00 0.00 H new ATOM 276 N ALA A 20 11.187 -8.146 5.082 1.00 0.00 N ATOM 277 CA ALA A 20 12.337 -7.846 4.238 1.00 0.00 C ATOM 278 C ALA A 20 11.978 -7.959 2.760 1.00 0.00 C ATOM 279 O ALA A 20 12.451 -7.179 1.935 1.00 0.00 O ATOM 280 CB ALA A 20 13.496 -8.772 4.574 1.00 0.00 C ATOM 0 H ALA A 20 11.256 -9.027 5.591 1.00 0.00 H new ATOM 0 HA ALA A 20 12.641 -6.818 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.347 -8.536 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.778 -8.638 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.195 -9.806 4.409 1.00 0.00 H new ATOM 286 N GLU A 21 11.139 -8.938 2.433 1.00 0.00 N ATOM 287 CA GLU A 21 10.718 -9.154 1.054 1.00 0.00 C ATOM 288 C GLU A 21 9.980 -7.933 0.513 1.00 0.00 C ATOM 289 O GLU A 21 10.083 -7.605 -0.670 1.00 0.00 O ATOM 290 CB GLU A 21 9.822 -10.390 0.958 1.00 0.00 C ATOM 291 CG GLU A 21 10.496 -11.668 1.428 1.00 0.00 C ATOM 292 CD GLU A 21 9.903 -12.909 0.788 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.665 -13.065 0.834 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.677 -13.724 0.243 1.00 0.00 O ATOM 0 H GLU A 21 10.738 -9.593 3.104 1.00 0.00 H new ATOM 0 HA GLU A 21 11.611 -9.314 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.923 -10.224 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.502 -10.517 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.560 -11.619 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.407 -11.744 2.512 1.00 0.00 H new ATOM 301 N LEU A 22 9.234 -7.265 1.386 1.00 0.00 N ATOM 302 CA LEU A 22 8.477 -6.081 0.997 1.00 0.00 C ATOM 303 C LEU A 22 9.409 -4.907 0.715 1.00 0.00 C ATOM 304 O LEU A 22 9.514 -4.444 -0.421 1.00 0.00 O ATOM 305 CB LEU A 22 7.482 -5.704 2.096 1.00 0.00 C ATOM 306 CG LEU A 22 6.374 -6.721 2.376 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.594 -6.331 3.622 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.444 -6.839 1.178 1.00 0.00 C ATOM 0 H LEU A 22 9.137 -7.523 2.368 1.00 0.00 H new ATOM 0 HA LEU A 22 7.930 -6.314 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.037 -5.538 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.017 -4.755 1.828 1.00 0.00 H new ATOM 0 HG LEU A 22 6.835 -7.693 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.810 -7.066 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.268 -6.298 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.144 -5.349 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.662 -7.567 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.991 -5.869 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.012 -7.166 0.307 1.00 0.00 H new ATOM 320 N ARG A 23 10.086 -4.432 1.756 1.00 0.00 N ATOM 321 CA ARG A 23 11.009 -3.313 1.619 1.00 0.00 C ATOM 322 C ARG A 23 11.940 -3.518 0.428 1.00 0.00 C ATOM 323 O ARG A 23 12.289 -2.568 -0.274 1.00 0.00 O ATOM 324 CB ARG A 23 11.831 -3.144 2.898 1.00 0.00 C ATOM 325 CG ARG A 23 12.632 -4.379 3.276 1.00 0.00 C ATOM 326 CD ARG A 23 13.906 -4.011 4.021 1.00 0.00 C ATOM 327 NE ARG A 23 14.860 -5.115 4.053 1.00 0.00 N ATOM 328 CZ ARG A 23 16.165 -4.955 4.240 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.668 -3.740 4.412 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.969 -6.010 4.257 1.00 0.00 N ATOM 0 H ARG A 23 10.012 -4.805 2.703 1.00 0.00 H new ATOM 0 HA ARG A 23 10.423 -2.410 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.513 -2.303 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.161 -2.891 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.022 -5.033 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.885 -4.940 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.368 -3.147 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.657 -3.717 5.041 1.00 0.00 H new ATOM 0 HE ARG A 23 14.505 -6.062 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.052 -2.927 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.671 -3.619 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.585 -6.946 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.971 -5.885 4.401 1.00 0.00 H new ATOM 344 N THR A 24 12.341 -4.766 0.204 1.00 0.00 N ATOM 345 CA THR A 24 13.232 -5.096 -0.900 1.00 0.00 C ATOM 346 C THR A 24 12.536 -4.911 -2.243 1.00 0.00 C ATOM 347 O THR A 24 13.179 -4.620 -3.252 1.00 0.00 O ATOM 348 CB THR A 24 13.742 -6.546 -0.796 1.00 0.00 C ATOM 349 OG1 THR A 24 14.491 -6.716 0.413 1.00 0.00 O ATOM 350 CG2 THR A 24 14.614 -6.901 -1.991 1.00 0.00 C ATOM 0 H THR A 24 12.062 -5.565 0.774 1.00 0.00 H new ATOM 0 HA THR A 24 14.080 -4.414 -0.836 1.00 0.00 H new ATOM 0 HB THR A 24 12.878 -7.211 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.945 -7.194 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.962 -7.929 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.034 -6.799 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.472 -6.230 -2.028 1.00 0.00 H new ATOM 358 N TRP A 25 11.218 -5.079 -2.249 1.00 0.00 N ATOM 359 CA TRP A 25 10.434 -4.929 -3.470 1.00 0.00 C ATOM 360 C TRP A 25 10.024 -3.476 -3.678 1.00 0.00 C ATOM 361 O TRP A 25 9.841 -3.029 -4.811 1.00 0.00 O ATOM 362 CB TRP A 25 9.192 -5.819 -3.416 1.00 0.00 C ATOM 363 CG TRP A 25 8.072 -5.330 -4.283 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.031 -5.331 -5.648 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.832 -4.765 -3.842 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.840 -4.801 -6.083 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.087 -4.448 -4.995 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.278 -4.498 -2.588 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.819 -3.876 -4.928 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.018 -3.932 -2.522 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.300 -3.626 -3.686 1.00 0.00 C ATOM 0 H TRP A 25 10.670 -5.319 -1.423 1.00 0.00 H new ATOM 0 HA TRP A 25 11.056 -5.236 -4.311 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.464 -6.829 -3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.843 -5.881 -2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.819 -5.695 -6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.562 -4.689 -7.058 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.824 -4.730 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.265 -3.638 -5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.580 -3.722 -1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.318 -3.184 -3.602 1.00 0.00 H new ATOM 382 N ILE A 26 9.884 -2.741 -2.580 1.00 0.00 N ATOM 383 CA ILE A 26 9.497 -1.337 -2.644 1.00 0.00 C ATOM 384 C ILE A 26 10.708 -0.445 -2.891 1.00 0.00 C ATOM 385 O ILE A 26 10.738 0.326 -3.850 1.00 0.00 O ATOM 386 CB ILE A 26 8.796 -0.887 -1.348 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.671 -1.858 -0.986 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.255 0.526 -1.502 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.086 -1.621 0.388 1.00 0.00 C ATOM 0 H ILE A 26 10.033 -3.095 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 26 8.800 -1.238 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 26 9.526 -0.889 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.878 -1.775 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.052 -2.878 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.763 0.830 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.077 1.209 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.537 0.553 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.294 -2.346 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.867 -1.733 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.675 -0.613 0.439 1.00 0.00 H new ATOM 401 N GLU A 27 11.706 -0.555 -2.019 1.00 0.00 N ATOM 402 CA GLU A 27 12.920 0.243 -2.144 1.00 0.00 C ATOM 403 C GLU A 27 13.405 0.273 -3.591 1.00 0.00 C ATOM 404 O GLU A 27 13.958 1.271 -4.051 1.00 0.00 O ATOM 405 CB GLU A 27 14.019 -0.316 -1.237 1.00 0.00 C ATOM 406 CG GLU A 27 13.886 0.111 0.215 1.00 0.00 C ATOM 407 CD GLU A 27 15.199 0.034 0.968 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.725 -1.088 1.132 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.701 1.095 1.394 1.00 0.00 O ATOM 0 H GLU A 27 11.697 -1.188 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 27 12.688 1.263 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.003 -1.405 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.989 0.007 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.507 1.132 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.150 -0.522 0.710 1.00 0.00 H new ATOM 416 N GLY A 28 13.194 -0.830 -4.302 1.00 0.00 N ATOM 417 CA GLY A 28 13.615 -0.910 -5.689 1.00 0.00 C ATOM 418 C GLY A 28 12.645 -0.226 -6.631 1.00 0.00 C ATOM 419 O GLY A 28 13.052 0.370 -7.628 1.00 0.00 O ATOM 0 H GLY A 28 12.739 -1.669 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.600 -0.454 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.716 -1.957 -5.975 1.00 0.00 H new ATOM 423 N LEU A 29 11.357 -0.310 -6.315 1.00 0.00 N ATOM 424 CA LEU A 29 10.324 0.305 -7.142 1.00 0.00 C ATOM 425 C LEU A 29 10.463 1.824 -7.145 1.00 0.00 C ATOM 426 O LEU A 29 10.765 2.429 -8.174 1.00 0.00 O ATOM 427 CB LEU A 29 8.936 -0.091 -6.638 1.00 0.00 C ATOM 428 CG LEU A 29 8.323 -1.342 -7.269 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.338 -1.995 -6.313 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.643 -0.995 -8.586 1.00 0.00 C ATOM 0 H LEU A 29 11.003 -0.798 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 29 10.448 -0.055 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.993 -0.243 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.258 0.746 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 29 9.124 -2.053 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.912 -2.883 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.855 -2.279 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.540 -1.292 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.212 -1.897 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.853 -0.266 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.376 -0.574 -9.274 1.00 0.00 H new ATOM 442 N THR A 30 10.243 2.436 -5.984 1.00 0.00 N ATOM 443 CA THR A 30 10.344 3.883 -5.853 1.00 0.00 C ATOM 444 C THR A 30 11.798 4.337 -5.878 1.00 0.00 C ATOM 445 O THR A 30 12.103 5.458 -6.284 1.00 0.00 O ATOM 446 CB THR A 30 9.687 4.376 -4.549 1.00 0.00 C ATOM 447 OG1 THR A 30 10.478 3.981 -3.422 1.00 0.00 O ATOM 448 CG2 THR A 30 8.279 3.816 -4.407 1.00 0.00 C ATOM 0 H THR A 30 9.994 1.951 -5.122 1.00 0.00 H new ATOM 0 HA THR A 30 9.817 4.315 -6.704 1.00 0.00 H new ATOM 0 HB THR A 30 9.627 5.464 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.889 3.697 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.835 4.178 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.671 4.142 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.321 2.727 -4.389 1.00 0.00 H new ATOM 456 N GLY A 31 12.696 3.459 -5.441 1.00 0.00 N ATOM 457 CA GLY A 31 14.109 3.789 -5.422 1.00 0.00 C ATOM 458 C GLY A 31 14.493 4.626 -4.219 1.00 0.00 C ATOM 459 O GLY A 31 15.565 5.234 -4.193 1.00 0.00 O ATOM 0 H GLY A 31 12.470 2.525 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.694 2.869 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.365 4.329 -6.333 1.00 0.00 H new ATOM 463 N LEU A 32 13.620 4.658 -3.220 1.00 0.00 N ATOM 464 CA LEU A 32 13.872 5.429 -2.007 1.00 0.00 C ATOM 465 C LEU A 32 14.380 4.528 -0.886 1.00 0.00 C ATOM 466 O LEU A 32 14.609 3.335 -1.089 1.00 0.00 O ATOM 467 CB LEU A 32 12.598 6.147 -1.561 1.00 0.00 C ATOM 468 CG LEU A 32 12.008 7.148 -2.556 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.582 7.507 -2.169 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.874 8.397 -2.632 1.00 0.00 C ATOM 0 H LEU A 32 12.730 4.159 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 32 14.640 6.170 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.840 5.396 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.808 6.672 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 32 11.988 6.684 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.178 8.220 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.968 6.607 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.576 7.952 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.439 9.098 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.926 8.864 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.878 8.124 -2.957 1.00 0.00 H new ATOM 482 N SER A 33 14.552 5.105 0.299 1.00 0.00 N ATOM 483 CA SER A 33 15.035 4.355 1.453 1.00 0.00 C ATOM 484 C SER A 33 14.058 4.465 2.620 1.00 0.00 C ATOM 485 O SER A 33 13.597 5.557 2.956 1.00 0.00 O ATOM 486 CB SER A 33 16.414 4.864 1.878 1.00 0.00 C ATOM 487 OG SER A 33 16.806 4.299 3.117 1.00 0.00 O ATOM 0 H SER A 33 14.364 6.090 0.485 1.00 0.00 H new ATOM 0 HA SER A 33 15.115 3.306 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.149 4.615 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.395 5.951 1.960 1.00 0.00 H new ATOM 0 HG SER A 33 17.691 4.638 3.366 1.00 0.00 H new ATOM 493 N ILE A 34 13.747 3.328 3.232 1.00 0.00 N ATOM 494 CA ILE A 34 12.827 3.296 4.362 1.00 0.00 C ATOM 495 C ILE A 34 13.502 3.793 5.635 1.00 0.00 C ATOM 496 O ILE A 34 12.893 4.499 6.439 1.00 0.00 O ATOM 497 CB ILE A 34 12.281 1.876 4.604 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.449 1.415 3.406 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.451 1.837 5.878 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.435 -0.086 3.220 1.00 0.00 C ATOM 0 H ILE A 34 14.119 2.417 2.964 1.00 0.00 H new ATOM 0 HA ILE A 34 11.997 3.957 4.112 1.00 0.00 H new ATOM 0 HB ILE A 34 13.123 1.194 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.425 1.767 3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.840 1.881 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.072 0.827 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.072 2.128 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.613 2.528 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.826 -0.339 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.453 -0.443 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.016 -0.559 4.108 1.00 0.00 H new ATOM 512 N GLY A 35 14.765 3.420 5.813 1.00 0.00 N ATOM 513 CA GLY A 35 15.505 3.839 6.990 1.00 0.00 C ATOM 514 C GLY A 35 15.756 2.695 7.953 1.00 0.00 C ATOM 515 O GLY A 35 15.529 1.527 7.636 1.00 0.00 O ATOM 0 H GLY A 35 15.290 2.835 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.459 4.267 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.952 4.627 7.502 1.00 0.00 H new ATOM 519 N PRO A 36 16.238 3.028 9.160 1.00 0.00 N ATOM 520 CA PRO A 36 16.533 2.034 10.196 1.00 0.00 C ATOM 521 C PRO A 36 15.269 1.400 10.767 1.00 0.00 C ATOM 522 O PRO A 36 15.316 0.322 11.360 1.00 0.00 O ATOM 523 CB PRO A 36 17.256 2.848 11.273 1.00 0.00 C ATOM 524 CG PRO A 36 16.771 4.244 11.082 1.00 0.00 C ATOM 525 CD PRO A 36 16.531 4.401 9.606 1.00 0.00 C ATOM 0 HA PRO A 36 17.118 1.201 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.021 2.480 12.272 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.338 2.785 11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.856 4.420 11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.508 4.965 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.699 5.075 9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.404 4.811 9.098 1.00 0.00 H new ATOM 533 N ASP A 37 14.139 2.075 10.585 1.00 0.00 N ATOM 534 CA ASP A 37 12.861 1.577 11.081 1.00 0.00 C ATOM 535 C ASP A 37 11.829 1.516 9.959 1.00 0.00 C ATOM 536 O ASP A 37 11.729 2.432 9.143 1.00 0.00 O ATOM 537 CB ASP A 37 12.348 2.466 12.214 1.00 0.00 C ATOM 538 CG ASP A 37 13.375 2.655 13.314 1.00 0.00 C ATOM 539 OD1 ASP A 37 13.609 1.695 14.077 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.945 3.762 13.410 1.00 0.00 O ATOM 0 H ASP A 37 14.082 2.969 10.097 1.00 0.00 H new ATOM 0 HA ASP A 37 13.016 0.568 11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.070 3.439 11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.445 2.026 12.636 1.00 0.00 H new ATOM 545 N PHE A 38 11.066 0.428 9.923 1.00 0.00 N ATOM 546 CA PHE A 38 10.043 0.246 8.900 1.00 0.00 C ATOM 547 C PHE A 38 8.784 1.037 9.242 1.00 0.00 C ATOM 548 O PHE A 38 8.335 1.876 8.462 1.00 0.00 O ATOM 549 CB PHE A 38 9.701 -1.238 8.750 1.00 0.00 C ATOM 550 CG PHE A 38 8.918 -1.549 7.507 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.515 -1.468 6.258 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.587 -1.925 7.586 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.796 -1.753 5.112 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.864 -2.212 6.443 1.00 0.00 C ATOM 555 CZ PHE A 38 7.469 -2.127 5.205 1.00 0.00 C ATOM 0 H PHE A 38 11.137 -0.340 10.590 1.00 0.00 H new ATOM 0 HA PHE A 38 10.439 0.619 7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.625 -1.817 8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.130 -1.561 9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.553 -1.179 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.109 -1.995 8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.271 -1.683 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.827 -2.503 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.906 -2.352 4.311 1.00 0.00 H new ATOM 565 N GLN A 39 8.220 0.764 10.415 1.00 0.00 N ATOM 566 CA GLN A 39 7.012 1.448 10.859 1.00 0.00 C ATOM 567 C GLN A 39 7.155 2.959 10.704 1.00 0.00 C ATOM 568 O GLN A 39 6.243 3.634 10.225 1.00 0.00 O ATOM 569 CB GLN A 39 6.711 1.100 12.318 1.00 0.00 C ATOM 570 CG GLN A 39 5.439 1.744 12.847 1.00 0.00 C ATOM 571 CD GLN A 39 5.688 3.105 13.466 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.967 4.112 12.991 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.519 3.248 14.363 1.00 0.00 N flip ATOM 0 H GLN A 39 8.581 0.074 11.074 1.00 0.00 H new ATOM 0 HA GLN A 39 6.184 1.113 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.628 0.018 12.415 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.551 1.412 12.938 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.722 1.845 12.033 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.986 1.088 13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.051 2.445 14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.675 4.170 14.771 1.00 0.00 H new ATOM 582 N LYS A 40 8.305 3.485 11.113 1.00 0.00 N ATOM 583 CA LYS A 40 8.568 4.916 11.019 1.00 0.00 C ATOM 584 C LYS A 40 8.709 5.349 9.563 1.00 0.00 C ATOM 585 O LYS A 40 7.866 6.076 9.038 1.00 0.00 O ATOM 586 CB LYS A 40 9.839 5.273 11.793 1.00 0.00 C ATOM 587 CG LYS A 40 9.786 4.886 13.261 1.00 0.00 C ATOM 588 CD LYS A 40 11.101 5.178 13.963 1.00 0.00 C ATOM 589 CE LYS A 40 10.993 4.961 15.464 1.00 0.00 C ATOM 590 NZ LYS A 40 10.126 5.983 16.112 1.00 0.00 N ATOM 0 H LYS A 40 9.070 2.941 11.513 1.00 0.00 H new ATOM 0 HA LYS A 40 7.722 5.445 11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.690 4.778 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.013 6.346 11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.981 5.432 13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.553 3.825 13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.882 4.535 13.557 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.400 6.207 13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.590 3.967 15.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.988 4.995 15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.263 5.952 17.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.379 6.928 15.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.130 5.785 15.889 1.00 0.00 H new ATOM 604 N GLY A 41 9.778 4.896 8.916 1.00 0.00 N ATOM 605 CA GLY A 41 10.009 5.247 7.527 1.00 0.00 C ATOM 606 C GLY A 41 8.720 5.378 6.741 1.00 0.00 C ATOM 607 O GLY A 41 8.603 6.236 5.864 1.00 0.00 O ATOM 0 H GLY A 41 10.489 4.292 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.557 6.188 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.638 4.487 7.063 1.00 0.00 H new ATOM 611 N LEU A 42 7.749 4.527 7.054 1.00 0.00 N ATOM 612 CA LEU A 42 6.460 4.551 6.370 1.00 0.00 C ATOM 613 C LEU A 42 5.447 5.385 7.145 1.00 0.00 C ATOM 614 O LEU A 42 4.582 6.035 6.558 1.00 0.00 O ATOM 615 CB LEU A 42 5.932 3.127 6.186 1.00 0.00 C ATOM 616 CG LEU A 42 6.927 2.109 5.627 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.286 0.733 5.532 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.439 2.556 4.265 1.00 0.00 C ATOM 0 H LEU A 42 7.829 3.812 7.777 1.00 0.00 H new ATOM 0 HA LEU A 42 6.605 5.008 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.576 2.765 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.069 3.164 5.521 1.00 0.00 H new ATOM 0 HG LEU A 42 7.775 2.046 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.009 0.022 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.969 0.410 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.420 0.780 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.146 1.820 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.601 2.648 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.937 3.521 4.362 1.00 0.00 H new ATOM 630 N LYS A 43 5.561 5.364 8.469 1.00 0.00 N ATOM 631 CA LYS A 43 4.656 6.121 9.326 1.00 0.00 C ATOM 632 C LYS A 43 4.264 7.442 8.673 1.00 0.00 C ATOM 633 O LYS A 43 3.127 7.614 8.233 1.00 0.00 O ATOM 634 CB LYS A 43 5.311 6.387 10.684 1.00 0.00 C ATOM 635 CG LYS A 43 4.499 7.303 11.582 1.00 0.00 C ATOM 636 CD LYS A 43 5.391 8.085 12.534 1.00 0.00 C ATOM 637 CE LYS A 43 4.586 8.713 13.661 1.00 0.00 C ATOM 638 NZ LYS A 43 5.456 9.140 14.792 1.00 0.00 N ATOM 0 H LYS A 43 6.271 4.831 8.972 1.00 0.00 H new ATOM 0 HA LYS A 43 3.754 5.527 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.468 5.437 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.295 6.828 10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.922 7.996 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.784 6.712 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.149 7.422 12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.918 8.864 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.037 9.574 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.846 7.998 14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.870 9.563 15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.961 8.314 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.146 9.841 14.454 1.00 0.00 H new ATOM 652 N ASP A 44 5.212 8.370 8.611 1.00 0.00 N ATOM 653 CA ASP A 44 4.965 9.675 8.007 1.00 0.00 C ATOM 654 C ASP A 44 4.158 9.536 6.721 1.00 0.00 C ATOM 655 O ASP A 44 3.337 10.392 6.396 1.00 0.00 O ATOM 656 CB ASP A 44 6.290 10.385 7.718 1.00 0.00 C ATOM 657 CG ASP A 44 7.226 10.373 8.910 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.694 9.277 9.286 1.00 0.00 O ATOM 659 OD2 ASP A 44 7.491 11.458 9.467 1.00 0.00 O ATOM 0 H ASP A 44 6.158 8.244 8.971 1.00 0.00 H new ATOM 0 HA ASP A 44 4.387 10.271 8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.779 9.904 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.090 11.416 7.427 1.00 0.00 H new ATOM 664 N GLY A 45 4.397 8.449 5.992 1.00 0.00 N ATOM 665 CA GLY A 45 3.684 8.218 4.750 1.00 0.00 C ATOM 666 C GLY A 45 4.315 8.942 3.576 1.00 0.00 C ATOM 667 O GLY A 45 3.621 9.585 2.788 1.00 0.00 O ATOM 0 H GLY A 45 5.071 7.725 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.659 7.148 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.650 8.545 4.862 1.00 0.00 H new ATOM 671 N THR A 46 5.635 8.840 3.460 1.00 0.00 N ATOM 672 CA THR A 46 6.360 9.491 2.377 1.00 0.00 C ATOM 673 C THR A 46 6.626 8.522 1.230 1.00 0.00 C ATOM 674 O THR A 46 6.386 8.842 0.066 1.00 0.00 O ATOM 675 CB THR A 46 7.701 10.070 2.866 1.00 0.00 C ATOM 676 OG1 THR A 46 8.520 9.023 3.400 1.00 0.00 O ATOM 677 CG2 THR A 46 7.476 11.136 3.927 1.00 0.00 C ATOM 0 H THR A 46 6.224 8.312 4.104 1.00 0.00 H new ATOM 0 HA THR A 46 5.729 10.305 2.021 1.00 0.00 H new ATOM 0 HB THR A 46 8.206 10.528 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.372 9.398 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.437 11.530 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.877 11.945 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.952 10.699 4.777 1.00 0.00 H new ATOM 685 N ILE A 47 7.121 7.336 1.567 1.00 0.00 N ATOM 686 CA ILE A 47 7.416 6.320 0.566 1.00 0.00 C ATOM 687 C ILE A 47 6.152 5.578 0.145 1.00 0.00 C ATOM 688 O ILE A 47 5.808 5.537 -1.037 1.00 0.00 O ATOM 689 CB ILE A 47 8.447 5.299 1.086 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.719 6.016 1.544 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.768 4.274 0.009 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.607 5.165 2.424 1.00 0.00 C ATOM 0 H ILE A 47 7.326 7.056 2.526 1.00 0.00 H new ATOM 0 HA ILE A 47 7.834 6.840 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 47 8.019 4.775 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.285 6.331 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.442 6.920 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.497 3.560 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.857 3.746 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.180 4.780 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.490 5.736 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.058 4.871 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.914 4.273 1.877 1.00 0.00 H new ATOM 704 N LEU A 48 5.463 4.995 1.120 1.00 0.00 N ATOM 705 CA LEU A 48 4.233 4.256 0.851 1.00 0.00 C ATOM 706 C LEU A 48 3.464 4.883 -0.308 1.00 0.00 C ATOM 707 O LEU A 48 2.870 4.177 -1.125 1.00 0.00 O ATOM 708 CB LEU A 48 3.354 4.219 2.102 1.00 0.00 C ATOM 709 CG LEU A 48 3.778 3.235 3.192 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.911 3.403 4.430 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.702 1.805 2.677 1.00 0.00 C ATOM 0 H LEU A 48 5.734 5.019 2.103 1.00 0.00 H new ATOM 0 HA LEU A 48 4.503 3.237 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.329 5.220 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.335 3.977 1.799 1.00 0.00 H new ATOM 0 HG LEU A 48 4.811 3.448 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.228 2.694 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.014 4.419 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.868 3.217 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.007 1.117 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.679 1.581 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.366 1.691 1.820 1.00 0.00 H new ATOM 723 N CYS A 49 3.481 6.209 -0.374 1.00 0.00 N ATOM 724 CA CYS A 49 2.786 6.930 -1.434 1.00 0.00 C ATOM 725 C CYS A 49 3.430 6.660 -2.790 1.00 0.00 C ATOM 726 O CYS A 49 2.781 6.167 -3.713 1.00 0.00 O ATOM 727 CB CYS A 49 2.789 8.432 -1.145 1.00 0.00 C ATOM 728 SG CYS A 49 1.607 8.942 0.124 1.00 0.00 S ATOM 0 H CYS A 49 3.968 6.807 0.294 1.00 0.00 H new ATOM 0 HA CYS A 49 1.756 6.575 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.790 8.729 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.569 8.969 -2.068 1.00 0.00 H new ATOM 0 HG CYS A 49 1.869 10.160 0.496 1.00 0.00 H new ATOM 734 N THR A 50 4.714 6.986 -2.905 1.00 0.00 N ATOM 735 CA THR A 50 5.447 6.781 -4.148 1.00 0.00 C ATOM 736 C THR A 50 5.267 5.358 -4.663 1.00 0.00 C ATOM 737 O THR A 50 4.980 5.146 -5.842 1.00 0.00 O ATOM 738 CB THR A 50 6.951 7.062 -3.966 1.00 0.00 C ATOM 739 OG1 THR A 50 7.418 6.463 -2.752 1.00 0.00 O ATOM 740 CG2 THR A 50 7.221 8.559 -3.936 1.00 0.00 C ATOM 0 H THR A 50 5.268 7.393 -2.152 1.00 0.00 H new ATOM 0 HA THR A 50 5.039 7.483 -4.875 1.00 0.00 H new ATOM 0 HB THR A 50 7.485 6.629 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.698 5.933 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.289 8.734 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.891 9.007 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.677 9.010 -3.107 1.00 0.00 H new ATOM 748 N LEU A 51 5.436 4.386 -3.775 1.00 0.00 N ATOM 749 CA LEU A 51 5.290 2.980 -4.141 1.00 0.00 C ATOM 750 C LEU A 51 4.096 2.780 -5.068 1.00 0.00 C ATOM 751 O LEU A 51 4.218 2.169 -6.129 1.00 0.00 O ATOM 752 CB LEU A 51 5.128 2.121 -2.886 1.00 0.00 C ATOM 753 CG LEU A 51 4.620 0.695 -3.111 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.611 -0.097 -3.950 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.371 0.002 -1.780 1.00 0.00 C ATOM 0 H LEU A 51 5.674 4.544 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 51 6.191 2.671 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.092 2.067 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.441 2.628 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 51 3.676 0.746 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.234 -1.109 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.740 0.390 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.571 -0.140 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.010 -1.011 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.300 -0.039 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.624 0.559 -1.214 1.00 0.00 H new ATOM 767 N MET A 52 2.943 3.301 -4.660 1.00 0.00 N ATOM 768 CA MET A 52 1.728 3.182 -5.457 1.00 0.00 C ATOM 769 C MET A 52 1.893 3.871 -6.807 1.00 0.00 C ATOM 770 O MET A 52 1.695 3.259 -7.856 1.00 0.00 O ATOM 771 CB MET A 52 0.539 3.784 -4.705 1.00 0.00 C ATOM 772 CG MET A 52 -0.809 3.403 -5.296 1.00 0.00 C ATOM 773 SD MET A 52 -1.177 1.648 -5.112 1.00 0.00 S ATOM 774 CE MET A 52 -1.823 1.265 -6.738 1.00 0.00 C ATOM 0 H MET A 52 2.825 3.809 -3.783 1.00 0.00 H new ATOM 0 HA MET A 52 1.540 2.123 -5.631 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.575 3.460 -3.665 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.632 4.870 -4.704 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.592 3.987 -4.812 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.824 3.664 -6.354 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.195 0.240 -6.750 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.637 1.949 -6.976 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.031 1.372 -7.479 1.00 0.00 H new ATOM 784 N ASN A 53 2.257 5.149 -6.775 1.00 0.00 N ATOM 785 CA ASN A 53 2.447 5.922 -7.996 1.00 0.00 C ATOM 786 C ASN A 53 3.169 5.095 -9.056 1.00 0.00 C ATOM 787 O ASN A 53 2.951 5.275 -10.254 1.00 0.00 O ATOM 788 CB ASN A 53 3.241 7.196 -7.700 1.00 0.00 C ATOM 789 CG ASN A 53 2.346 8.356 -7.306 1.00 0.00 C ATOM 790 OD1 ASN A 53 1.274 8.550 -7.879 1.00 0.00 O ATOM 791 ND2 ASN A 53 2.785 9.135 -6.323 1.00 0.00 N ATOM 0 H ASN A 53 2.426 5.671 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 53 1.464 6.195 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.952 7.000 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.822 7.471 -8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.227 9.931 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.680 8.937 -5.876 1.00 0.00 H new ATOM 798 N LYS A 54 4.029 4.187 -8.606 1.00 0.00 N ATOM 799 CA LYS A 54 4.782 3.330 -9.513 1.00 0.00 C ATOM 800 C LYS A 54 3.915 2.182 -10.022 1.00 0.00 C ATOM 801 O LYS A 54 3.987 1.810 -11.194 1.00 0.00 O ATOM 802 CB LYS A 54 6.022 2.774 -8.810 1.00 0.00 C ATOM 803 CG LYS A 54 6.923 3.848 -8.227 1.00 0.00 C ATOM 804 CD LYS A 54 7.537 4.713 -9.315 1.00 0.00 C ATOM 805 CE LYS A 54 8.108 6.003 -8.746 1.00 0.00 C ATOM 806 NZ LYS A 54 9.542 5.858 -8.375 1.00 0.00 N ATOM 0 H LYS A 54 4.222 4.026 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 54 5.095 3.932 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.706 2.103 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.595 2.177 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.349 4.474 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.715 3.381 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.326 4.157 -9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.781 4.948 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.002 6.802 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.534 6.298 -7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.669 6.113 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.841 4.873 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.119 6.487 -8.969 1.00 0.00 H new ATOM 820 N LEU A 55 3.096 1.627 -9.135 1.00 0.00 N ATOM 821 CA LEU A 55 2.214 0.522 -9.496 1.00 0.00 C ATOM 822 C LEU A 55 1.014 1.022 -10.294 1.00 0.00 C ATOM 823 O LEU A 55 0.761 0.558 -11.406 1.00 0.00 O ATOM 824 CB LEU A 55 1.738 -0.207 -8.238 1.00 0.00 C ATOM 825 CG LEU A 55 2.829 -0.636 -7.257 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.215 -1.286 -6.027 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.810 -1.584 -7.931 1.00 0.00 C ATOM 0 H LEU A 55 3.024 1.924 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 55 2.777 -0.172 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.037 0.440 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.184 -1.094 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 55 3.375 0.252 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.007 -1.585 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.554 -0.575 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.644 -2.165 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.580 -1.879 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.279 -2.470 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.275 -1.083 -8.780 1.00 0.00 H new ATOM 839 N GLN A 56 0.281 1.970 -9.719 1.00 0.00 N ATOM 840 CA GLN A 56 -0.891 2.533 -10.378 1.00 0.00 C ATOM 841 C GLN A 56 -0.568 3.889 -10.998 1.00 0.00 C ATOM 842 O GLN A 56 -0.186 4.836 -10.312 1.00 0.00 O ATOM 843 CB GLN A 56 -2.043 2.675 -9.381 1.00 0.00 C ATOM 844 CG GLN A 56 -3.199 3.514 -9.903 1.00 0.00 C ATOM 845 CD GLN A 56 -4.534 3.094 -9.320 1.00 0.00 C ATOM 846 OE1 GLN A 56 -4.894 3.680 -8.185 1.00 0.00 O flip ATOM 847 NE2 GLN A 56 -5.234 2.253 -9.885 1.00 0.00 N flip ATOM 0 H GLN A 56 0.478 2.364 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.191 1.853 -11.175 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.413 1.683 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.665 3.124 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.018 4.563 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.240 3.434 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.917 1.828 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.130 1.981 -9.481 1.00 0.00 H new ATOM 856 N PRO A 57 -0.726 3.984 -12.327 1.00 0.00 N ATOM 857 CA PRO A 57 -0.458 5.220 -13.068 1.00 0.00 C ATOM 858 C PRO A 57 -1.481 6.309 -12.769 1.00 0.00 C ATOM 859 O PRO A 57 -2.432 6.506 -13.526 1.00 0.00 O ATOM 860 CB PRO A 57 -0.553 4.783 -14.532 1.00 0.00 C ATOM 861 CG PRO A 57 -1.445 3.590 -14.513 1.00 0.00 C ATOM 862 CD PRO A 57 -1.179 2.894 -13.207 1.00 0.00 C ATOM 0 HA PRO A 57 0.505 5.655 -12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.965 5.576 -15.156 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.429 4.537 -14.936 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.492 3.884 -14.592 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.234 2.932 -15.356 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.076 2.411 -12.819 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.419 2.120 -13.312 1.00 0.00 H new ATOM 870 N GLY A 58 -1.280 7.018 -11.662 1.00 0.00 N ATOM 871 CA GLY A 58 -2.195 8.079 -11.283 1.00 0.00 C ATOM 872 C GLY A 58 -2.884 7.807 -9.962 1.00 0.00 C ATOM 873 O GLY A 58 -4.064 8.113 -9.794 1.00 0.00 O ATOM 0 H GLY A 58 -0.499 6.876 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.648 9.020 -11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.947 8.202 -12.063 1.00 0.00 H new ATOM 877 N SER A 59 -2.145 7.228 -9.019 1.00 0.00 N ATOM 878 CA SER A 59 -2.695 6.909 -7.706 1.00 0.00 C ATOM 879 C SER A 59 -2.660 8.130 -6.793 1.00 0.00 C ATOM 880 O SER A 59 -3.697 8.713 -6.475 1.00 0.00 O ATOM 881 CB SER A 59 -1.914 5.759 -7.069 1.00 0.00 C ATOM 882 OG SER A 59 -0.558 5.771 -7.483 1.00 0.00 O ATOM 0 H SER A 59 -1.165 6.971 -9.140 1.00 0.00 H new ATOM 0 HA SER A 59 -3.733 6.604 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.966 5.837 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.372 4.809 -7.343 1.00 0.00 H new ATOM 0 HG SER A 59 -0.477 5.325 -8.352 1.00 0.00 H new ATOM 888 N VAL A 60 -1.458 8.513 -6.372 1.00 0.00 N ATOM 889 CA VAL A 60 -1.286 9.665 -5.495 1.00 0.00 C ATOM 890 C VAL A 60 -0.799 10.881 -6.273 1.00 0.00 C ATOM 891 O VAL A 60 0.246 10.854 -6.926 1.00 0.00 O ATOM 892 CB VAL A 60 -0.289 9.362 -4.360 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.235 10.519 -3.373 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.661 8.067 -3.655 1.00 0.00 C ATOM 0 H VAL A 60 -0.589 8.042 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.263 9.882 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 60 0.703 9.240 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.474 10.287 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.083 11.424 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.224 10.676 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.054 7.869 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.661 8.157 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.643 7.245 -4.371 1.00 0.00 H new ATOM 904 N PRO A 61 -1.571 11.975 -6.206 1.00 0.00 N ATOM 905 CA PRO A 61 -1.237 13.223 -6.899 1.00 0.00 C ATOM 906 C PRO A 61 -0.027 13.920 -6.288 1.00 0.00 C ATOM 907 O PRO A 61 0.892 14.329 -6.998 1.00 0.00 O ATOM 908 CB PRO A 61 -2.495 14.077 -6.717 1.00 0.00 C ATOM 909 CG PRO A 61 -3.134 13.551 -5.478 1.00 0.00 C ATOM 910 CD PRO A 61 -2.829 12.079 -5.448 1.00 0.00 C ATOM 0 HA PRO A 61 -0.969 13.051 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.245 15.133 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.162 13.988 -7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.739 14.050 -4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.210 13.727 -5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.715 11.713 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.625 11.494 -5.909 1.00 0.00 H new ATOM 918 N LYS A 62 -0.032 14.053 -4.965 1.00 0.00 N ATOM 919 CA LYS A 62 1.066 14.699 -4.256 1.00 0.00 C ATOM 920 C LYS A 62 1.191 14.155 -2.837 1.00 0.00 C ATOM 921 O LYS A 62 0.202 13.750 -2.227 1.00 0.00 O ATOM 922 CB LYS A 62 0.854 16.214 -4.216 1.00 0.00 C ATOM 923 CG LYS A 62 2.148 17.009 -4.175 1.00 0.00 C ATOM 924 CD LYS A 62 2.644 17.339 -5.573 1.00 0.00 C ATOM 925 CE LYS A 62 4.158 17.479 -5.607 1.00 0.00 C ATOM 926 NZ LYS A 62 4.645 17.897 -6.950 1.00 0.00 N ATOM 0 H LYS A 62 -0.785 13.721 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 62 1.990 14.482 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.280 16.515 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.255 16.466 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.992 17.932 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.910 16.439 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.334 16.556 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.184 18.266 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.472 18.211 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.617 16.529 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.681 17.981 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.367 17.186 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.227 18.816 -7.200 1.00 0.00 H new ATOM 940 N ILE A 63 2.414 14.150 -2.316 1.00 0.00 N ATOM 941 CA ILE A 63 2.668 13.658 -0.967 1.00 0.00 C ATOM 942 C ILE A 63 2.959 14.808 -0.009 1.00 0.00 C ATOM 943 O ILE A 63 3.618 15.782 -0.372 1.00 0.00 O ATOM 944 CB ILE A 63 3.850 12.672 -0.940 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.535 11.443 -1.796 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.165 12.262 0.490 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.752 10.601 -2.114 1.00 0.00 C ATOM 0 H ILE A 63 3.244 14.481 -2.808 1.00 0.00 H new ATOM 0 HA ILE A 63 1.765 13.139 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 63 4.727 13.167 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.802 10.826 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.074 11.768 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.003 11.565 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.426 13.145 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.292 11.781 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.455 9.747 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.478 11.202 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.201 10.246 -1.187 1.00 0.00 H new ATOM 959 N ASN A 64 2.463 14.688 1.219 1.00 0.00 N ATOM 960 CA ASN A 64 2.671 15.717 2.231 1.00 0.00 C ATOM 961 C ASN A 64 4.155 15.887 2.538 1.00 0.00 C ATOM 962 O ASN A 64 4.713 16.972 2.378 1.00 0.00 O ATOM 963 CB ASN A 64 1.911 15.363 3.511 1.00 0.00 C ATOM 964 CG ASN A 64 0.504 15.931 3.525 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.315 17.147 3.550 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.489 15.050 3.508 1.00 0.00 N ATOM 0 H ASN A 64 1.915 13.889 1.537 1.00 0.00 H new ATOM 0 HA ASN A 64 2.290 16.660 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.863 14.279 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.461 15.741 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.457 15.372 3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.284 14.051 3.487 1.00 0.00 H new ATOM 973 N ARG A 65 4.790 14.805 2.978 1.00 0.00 N ATOM 974 CA ARG A 65 6.210 14.834 3.309 1.00 0.00 C ATOM 975 C ARG A 65 6.519 15.966 4.283 1.00 0.00 C ATOM 976 O ARG A 65 7.645 16.459 4.341 1.00 0.00 O ATOM 977 CB ARG A 65 7.047 14.998 2.039 1.00 0.00 C ATOM 978 CG ARG A 65 7.438 13.679 1.392 1.00 0.00 C ATOM 979 CD ARG A 65 8.435 13.886 0.262 1.00 0.00 C ATOM 980 NE ARG A 65 9.015 12.626 -0.193 1.00 0.00 N ATOM 981 CZ ARG A 65 10.135 12.548 -0.905 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.791 13.650 -1.239 1.00 0.00 N ATOM 983 NH2 ARG A 65 10.600 11.363 -1.283 1.00 0.00 N ATOM 0 H ARG A 65 4.344 13.898 3.113 1.00 0.00 H new ATOM 0 HA ARG A 65 6.465 13.888 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.486 15.594 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.951 15.557 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.870 13.018 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.547 13.184 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.939 14.379 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.231 14.551 0.598 1.00 0.00 H new ATOM 0 HE ARG A 65 8.535 11.759 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.437 14.562 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.650 13.586 -1.785 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.098 10.513 -1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.459 11.303 -1.829 1.00 0.00 H new ATOM 997 N SER A 66 5.510 16.373 5.048 1.00 0.00 N ATOM 998 CA SER A 66 5.673 17.450 6.018 1.00 0.00 C ATOM 999 C SER A 66 5.794 16.893 7.433 1.00 0.00 C ATOM 1000 O SER A 66 5.812 15.679 7.634 1.00 0.00 O ATOM 1001 CB SER A 66 4.491 18.418 5.939 1.00 0.00 C ATOM 1002 OG SER A 66 4.812 19.664 6.536 1.00 0.00 O ATOM 0 H SER A 66 4.572 15.973 5.015 1.00 0.00 H new ATOM 0 HA SER A 66 6.591 17.987 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.212 18.572 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.626 17.983 6.440 1.00 0.00 H new ATOM 0 HG SER A 66 5.785 19.776 6.557 1.00 0.00 H new ATOM 1008 N MET A 67 5.879 17.789 8.411 1.00 0.00 N ATOM 1009 CA MET A 67 5.998 17.388 9.808 1.00 0.00 C ATOM 1010 C MET A 67 4.626 17.298 10.466 1.00 0.00 C ATOM 1011 O MET A 67 4.409 16.481 11.361 1.00 0.00 O ATOM 1012 CB MET A 67 6.880 18.378 10.571 1.00 0.00 C ATOM 1013 CG MET A 67 6.965 18.091 12.061 1.00 0.00 C ATOM 1014 SD MET A 67 7.706 19.449 12.989 1.00 0.00 S ATOM 1015 CE MET A 67 6.371 20.643 12.965 1.00 0.00 C ATOM 0 H MET A 67 5.868 18.798 8.262 1.00 0.00 H new ATOM 0 HA MET A 67 6.461 16.402 9.839 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.884 18.359 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.492 19.386 10.425 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.965 17.896 12.447 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.551 17.185 12.220 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.544 21.397 13.733 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.330 21.123 11.987 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.426 20.136 13.160 1.00 0.00 H new ATOM 1025 N GLN A 68 3.702 18.144 10.019 1.00 0.00 N ATOM 1026 CA GLN A 68 2.352 18.159 10.567 1.00 0.00 C ATOM 1027 C GLN A 68 1.802 16.743 10.701 1.00 0.00 C ATOM 1028 O GLN A 68 1.984 15.909 9.814 1.00 0.00 O ATOM 1029 CB GLN A 68 1.428 18.996 9.679 1.00 0.00 C ATOM 1030 CG GLN A 68 1.924 20.414 9.449 1.00 0.00 C ATOM 1031 CD GLN A 68 2.260 21.131 10.742 1.00 0.00 C ATOM 1032 OE1 GLN A 68 3.129 20.698 11.499 1.00 0.00 O ATOM 1033 NE2 GLN A 68 1.570 22.236 11.002 1.00 0.00 N ATOM 0 H GLN A 68 3.865 18.827 9.279 1.00 0.00 H new ATOM 0 HA GLN A 68 2.395 18.607 11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.316 18.499 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.439 19.036 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.808 20.387 8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.162 20.979 8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.858 22.559 10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.752 22.761 11.857 1.00 0.00 H new ATOM 1042 N ASN A 69 1.129 16.478 11.816 1.00 0.00 N ATOM 1043 CA ASN A 69 0.554 15.161 12.066 1.00 0.00 C ATOM 1044 C ASN A 69 -0.541 14.844 11.052 1.00 0.00 C ATOM 1045 O ASN A 69 -0.500 13.811 10.384 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.016 15.093 13.485 1.00 0.00 C ATOM 1047 CG ASN A 69 -1.010 13.960 13.654 1.00 0.00 C ATOM 1048 OD1 ASN A 69 -1.976 13.849 12.899 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -0.776 13.113 14.651 1.00 0.00 N ATOM 0 H ASN A 69 0.968 17.157 12.560 1.00 0.00 H new ATOM 0 HA ASN A 69 1.347 14.420 11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.800 14.966 14.196 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.503 16.039 13.724 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.410 12.331 14.816 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.038 13.245 15.252 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.516 15.739 10.942 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.621 15.554 10.007 1.00 0.00 C ATOM 1058 C TRP A 70 -2.103 15.252 8.605 1.00 0.00 C ATOM 1059 O TRP A 70 -2.631 14.382 7.912 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.506 16.801 9.980 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.729 18.082 10.040 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.187 18.761 8.987 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.409 18.835 11.214 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.548 19.892 9.436 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.671 19.960 10.798 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.676 18.671 12.575 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -1.196 20.913 11.696 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.204 19.616 13.466 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.472 20.726 13.024 1.00 0.00 C ATOM 0 H TRP A 70 -1.564 16.599 11.488 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.213 14.704 10.346 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -4.107 16.791 9.071 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.199 16.765 10.821 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.251 18.455 7.953 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.061 20.570 8.850 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.242 17.820 12.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.631 21.768 11.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.403 19.497 14.521 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.119 21.448 13.745 1.00 0.00 H new ATOM 1080 N HIS A 71 -1.067 15.975 8.193 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.477 15.782 6.872 1.00 0.00 C ATOM 1082 C HIS A 71 0.026 14.351 6.706 1.00 0.00 C ATOM 1083 O HIS A 71 -0.332 13.666 5.748 1.00 0.00 O ATOM 1084 CB HIS A 71 0.670 16.768 6.654 1.00 0.00 C ATOM 1085 CG HIS A 71 0.217 18.131 6.232 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.051 19.230 6.214 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.991 18.570 5.808 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.374 20.286 5.799 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.868 19.913 5.545 1.00 0.00 N ATOM 0 H HIS A 71 -0.618 16.699 8.754 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.249 15.965 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.244 16.855 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.343 16.367 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.886 17.975 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.769 21.285 5.686 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.614 20.522 5.209 1.00 0.00 H new ATOM 1098 N GLN A 72 0.859 13.910 7.643 1.00 0.00 N ATOM 1099 CA GLN A 72 1.412 12.561 7.597 1.00 0.00 C ATOM 1100 C GLN A 72 0.308 11.525 7.422 1.00 0.00 C ATOM 1101 O GLN A 72 0.473 10.542 6.698 1.00 0.00 O ATOM 1102 CB GLN A 72 2.205 12.269 8.873 1.00 0.00 C ATOM 1103 CG GLN A 72 3.612 12.845 8.862 1.00 0.00 C ATOM 1104 CD GLN A 72 4.356 12.592 10.157 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.456 11.454 10.618 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.884 13.654 10.754 1.00 0.00 N ATOM 0 H GLN A 72 1.165 14.466 8.442 1.00 0.00 H new ATOM 0 HA GLN A 72 2.081 12.499 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.663 12.673 9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.265 11.190 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.172 12.410 8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.560 13.919 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.777 14.579 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.396 13.545 11.629 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.818 11.749 8.089 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.953 10.835 8.007 1.00 0.00 C ATOM 1117 C LEU A 73 -2.540 10.821 6.599 1.00 0.00 C ATOM 1118 O LEU A 73 -2.708 9.760 5.998 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.029 11.234 9.018 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.891 10.634 10.417 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -2.841 9.115 10.344 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.650 11.178 11.111 1.00 0.00 C ATOM 0 H LEU A 73 -0.970 12.556 8.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.598 9.832 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.029 12.320 9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.001 10.948 8.616 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.765 10.920 11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.743 8.705 11.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.758 8.742 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.986 8.808 9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.568 10.740 12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.765 10.922 10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.727 12.262 11.197 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.849 12.005 6.081 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.417 12.128 4.744 1.00 0.00 C ATOM 1136 C GLU A 74 -2.700 11.205 3.761 1.00 0.00 C ATOM 1137 O GLU A 74 -3.328 10.586 2.903 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.326 13.576 4.257 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.252 13.886 3.093 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.699 14.032 3.520 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.096 13.379 4.508 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.436 14.800 2.867 1.00 0.00 O ATOM 0 H GLU A 74 -2.716 12.892 6.566 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.465 11.834 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.561 14.244 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.299 13.786 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.925 14.807 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.175 13.091 2.351 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.380 11.119 3.895 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.577 10.273 3.019 1.00 0.00 C ATOM 1151 C ASN A 75 -1.121 8.849 2.989 1.00 0.00 C ATOM 1152 O ASN A 75 -1.482 8.332 1.930 1.00 0.00 O ATOM 1153 CB ASN A 75 0.881 10.264 3.482 1.00 0.00 C ATOM 1154 CG ASN A 75 1.582 11.582 3.210 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.136 12.375 2.382 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.687 11.819 3.909 1.00 0.00 N ATOM 0 H ASN A 75 -0.844 11.624 4.601 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.629 10.684 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.919 10.049 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.415 9.460 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.202 12.688 3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.020 11.132 4.585 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.179 8.219 4.157 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.680 6.853 4.266 1.00 0.00 C ATOM 1165 C LEU A 76 -3.108 6.753 3.738 1.00 0.00 C ATOM 1166 O LEU A 76 -3.428 5.867 2.946 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.630 6.385 5.721 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.234 6.240 6.331 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.330 5.802 7.784 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.598 5.251 5.528 1.00 0.00 C ATOM 0 H LEU A 76 -0.885 8.632 5.042 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.042 6.209 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.199 7.089 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.137 5.422 5.790 1.00 0.00 H new ATOM 0 HG LEU A 76 0.260 7.211 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.672 5.704 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.889 6.546 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.842 4.842 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.588 5.160 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.108 4.277 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.695 5.606 4.502 1.00 0.00 H new ATOM 1182 N SER A 77 -3.963 7.671 4.180 1.00 0.00 N ATOM 1183 CA SER A 77 -5.357 7.686 3.753 1.00 0.00 C ATOM 1184 C SER A 77 -5.459 7.663 2.231 1.00 0.00 C ATOM 1185 O SER A 77 -6.323 6.994 1.666 1.00 0.00 O ATOM 1186 CB SER A 77 -6.067 8.923 4.304 1.00 0.00 C ATOM 1187 OG SER A 77 -5.949 8.993 5.714 1.00 0.00 O ATOM 0 H SER A 77 -3.714 8.414 4.833 1.00 0.00 H new ATOM 0 HA SER A 77 -5.842 6.792 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.641 9.821 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.120 8.896 4.025 1.00 0.00 H new ATOM 0 HG SER A 77 -6.410 9.794 6.041 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.570 8.400 1.573 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.559 8.464 0.115 1.00 0.00 C ATOM 1195 C ASN A 78 -4.114 7.135 -0.485 1.00 0.00 C ATOM 1196 O ASN A 78 -4.804 6.560 -1.327 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.634 9.587 -0.358 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.282 10.954 -0.255 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.508 11.074 -0.262 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.461 11.992 -0.158 1.00 0.00 N ATOM 0 H ASN A 78 -3.848 8.961 2.025 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.574 8.671 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.720 9.576 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.344 9.403 -1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.839 12.936 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.452 11.845 -0.156 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.957 6.652 -0.045 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.418 5.389 -0.540 1.00 0.00 C ATOM 1209 C PHE A 79 -3.440 4.267 -0.392 1.00 0.00 C ATOM 1210 O PHE A 79 -3.681 3.505 -1.329 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.135 5.029 0.211 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.699 3.606 0.006 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.709 3.042 -1.261 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.280 2.834 1.076 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.309 1.733 -1.453 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.122 1.525 0.890 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.109 0.974 -0.377 1.00 0.00 C ATOM 0 H PHE A 79 -2.374 7.115 0.653 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.189 5.510 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.335 5.696 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.286 5.205 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.033 3.632 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.267 3.260 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.323 1.304 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.446 0.934 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.425 -0.048 -0.526 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.038 4.171 0.791 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.035 3.143 1.062 1.00 0.00 C ATOM 1229 C ILE A 80 -6.122 3.134 -0.008 1.00 0.00 C ATOM 1230 O ILE A 80 -6.291 2.152 -0.730 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.690 3.342 2.441 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.649 3.185 3.551 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.831 2.355 2.634 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.019 3.900 4.833 1.00 0.00 C ATOM 0 H ILE A 80 -3.849 4.793 1.577 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.511 2.187 1.052 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.098 4.352 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.512 2.124 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.691 3.565 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.283 2.509 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.582 2.511 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.447 1.337 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.236 3.745 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.127 4.967 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.961 3.504 5.212 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.855 4.238 -0.106 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.924 4.362 -1.090 1.00 0.00 C ATOM 1248 C LYS A 81 -7.430 3.977 -2.481 1.00 0.00 C ATOM 1249 O LYS A 81 -8.133 3.304 -3.235 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.467 5.793 -1.107 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.186 6.186 0.172 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.207 7.283 -0.078 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.236 7.351 1.040 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.332 6.361 0.846 1.00 0.00 N ATOM 0 H LYS A 81 -6.728 5.060 0.484 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.726 3.680 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.641 6.484 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.152 5.903 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.684 5.313 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.459 6.525 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.698 8.243 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.711 7.103 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.746 7.168 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.657 8.355 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.013 6.439 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.816 6.551 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.933 5.401 0.828 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.218 4.408 -2.814 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.630 4.106 -4.113 1.00 0.00 C ATOM 1270 C ALA A 82 -5.553 2.600 -4.344 1.00 0.00 C ATOM 1271 O ALA A 82 -5.859 2.113 -5.432 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.247 4.730 -4.224 1.00 0.00 C ATOM 0 H ALA A 82 -5.624 4.968 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.272 4.533 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.820 4.496 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.326 5.811 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.603 4.330 -3.441 1.00 0.00 H new ATOM 1278 N MET A 83 -5.142 1.869 -3.314 1.00 0.00 N ATOM 1279 CA MET A 83 -5.026 0.418 -3.405 1.00 0.00 C ATOM 1280 C MET A 83 -6.348 -0.207 -3.840 1.00 0.00 C ATOM 1281 O MET A 83 -6.389 -1.011 -4.771 1.00 0.00 O ATOM 1282 CB MET A 83 -4.590 -0.166 -2.060 1.00 0.00 C ATOM 1283 CG MET A 83 -3.138 0.123 -1.714 1.00 0.00 C ATOM 1284 SD MET A 83 -2.492 -0.988 -0.449 1.00 0.00 S ATOM 1285 CE MET A 83 -3.220 -0.281 1.027 1.00 0.00 C ATOM 0 H MET A 83 -4.884 2.257 -2.407 1.00 0.00 H new ATOM 0 HA MET A 83 -4.270 0.185 -4.155 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.229 0.236 -1.274 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.744 -1.245 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.530 0.036 -2.614 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.049 1.153 -1.368 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.913 -0.860 1.898 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.885 0.750 1.140 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.307 -0.302 0.943 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.427 0.168 -3.160 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.750 -0.356 -3.476 1.00 0.00 C ATOM 1297 C VAL A 84 -9.000 -0.345 -4.980 1.00 0.00 C ATOM 1298 O VAL A 84 -9.547 -1.297 -5.535 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.857 0.456 -2.777 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.231 -0.032 -3.209 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.703 0.375 -1.266 1.00 0.00 C ATOM 0 H VAL A 84 -7.410 0.833 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.779 -1.383 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.760 1.500 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.000 0.553 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.336 0.084 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.344 -1.083 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.493 0.954 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.773 -0.665 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.732 0.778 -0.977 1.00 0.00 H new ATOM 1311 N SER A 85 -8.594 0.738 -5.634 1.00 0.00 N ATOM 1312 CA SER A 85 -8.778 0.875 -7.074 1.00 0.00 C ATOM 1313 C SER A 85 -7.945 -0.158 -7.828 1.00 0.00 C ATOM 1314 O SER A 85 -8.412 -0.764 -8.792 1.00 0.00 O ATOM 1315 CB SER A 85 -8.394 2.285 -7.527 1.00 0.00 C ATOM 1316 OG SER A 85 -9.081 2.645 -8.713 1.00 0.00 O ATOM 0 H SER A 85 -8.135 1.533 -5.190 1.00 0.00 H new ATOM 0 HA SER A 85 -9.831 0.703 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.626 3.000 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.318 2.335 -7.697 1.00 0.00 H new ATOM 0 HG SER A 85 -8.819 3.551 -8.980 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.709 -0.350 -7.381 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.809 -1.308 -8.014 1.00 0.00 C ATOM 1324 C TYR A 86 -6.516 -2.635 -8.267 1.00 0.00 C ATOM 1325 O TYR A 86 -6.512 -3.151 -9.384 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.574 -1.532 -7.141 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.400 -2.123 -7.890 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.950 -1.552 -9.073 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.744 -3.251 -7.416 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.879 -2.088 -9.763 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.672 -3.793 -8.097 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.243 -3.208 -9.270 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.176 -3.745 -9.953 1.00 0.00 O ATOM 0 H TYR A 86 -6.307 0.144 -6.584 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.497 -0.896 -8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.272 -0.581 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.838 -2.194 -6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.445 -0.674 -9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.078 -3.713 -6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.542 -1.633 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.172 -4.670 -7.713 1.00 0.00 H new ATOM 0 HH TYR A 86 0.296 -3.033 -10.434 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.121 -3.185 -7.219 1.00 0.00 N ATOM 1344 CA GLY A 87 -7.826 -4.447 -7.346 1.00 0.00 C ATOM 1345 C GLY A 87 -7.651 -5.334 -6.130 1.00 0.00 C ATOM 1346 O GLY A 87 -7.598 -6.558 -6.248 1.00 0.00 O ATOM 0 H GLY A 87 -7.135 -2.779 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.887 -4.253 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.466 -4.973 -8.230 1.00 0.00 H new ATOM 1350 N MET A 88 -7.559 -4.715 -4.957 1.00 0.00 N ATOM 1351 CA MET A 88 -7.388 -5.458 -3.713 1.00 0.00 C ATOM 1352 C MET A 88 -8.736 -5.734 -3.055 1.00 0.00 C ATOM 1353 O MET A 88 -9.780 -5.321 -3.560 1.00 0.00 O ATOM 1354 CB MET A 88 -6.487 -4.682 -2.750 1.00 0.00 C ATOM 1355 CG MET A 88 -5.093 -4.423 -3.299 1.00 0.00 C ATOM 1356 SD MET A 88 -3.961 -5.793 -2.993 1.00 0.00 S ATOM 1357 CE MET A 88 -3.622 -5.569 -1.249 1.00 0.00 C ATOM 0 H MET A 88 -7.600 -3.702 -4.842 1.00 0.00 H new ATOM 0 HA MET A 88 -6.917 -6.412 -3.951 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.958 -3.728 -2.513 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.404 -5.237 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.157 -4.242 -4.372 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.691 -3.516 -2.846 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.556 -5.391 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.186 -4.715 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.917 -6.465 -0.703 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.706 -6.435 -1.926 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.927 -6.767 -1.201 1.00 0.00 C ATOM 1369 C ASN A 89 -10.186 -5.760 -0.083 1.00 0.00 C ATOM 1370 O ASN A 89 -9.291 -5.039 0.356 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.831 -8.178 -0.618 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.348 -9.235 -1.575 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.015 -9.231 -2.761 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -11.167 -10.146 -1.064 1.00 0.00 N ATOM 0 H ASN A 89 -7.850 -6.784 -1.494 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.760 -6.727 -1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.793 -8.395 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.399 -8.224 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.547 -10.881 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.416 -10.111 -0.075 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.441 -5.711 0.389 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.847 -4.798 1.462 1.00 0.00 C ATOM 1383 C PRO A 90 -11.250 -5.186 2.811 1.00 0.00 C ATOM 1384 O PRO A 90 -11.415 -4.475 3.801 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.370 -4.940 1.491 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.635 -6.297 0.935 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.558 -6.543 -0.087 1.00 0.00 C ATOM 0 HA PRO A 90 -11.503 -3.779 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.757 -4.845 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.851 -4.166 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.608 -7.053 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.624 -6.346 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.283 -7.597 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.879 -6.251 -1.087 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.554 -6.318 2.840 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.930 -6.800 4.068 1.00 0.00 C ATOM 1397 C VAL A 91 -8.412 -6.843 3.932 1.00 0.00 C ATOM 1398 O VAL A 91 -7.690 -6.867 4.929 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.442 -8.203 4.443 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -10.600 -9.065 3.200 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.503 -8.862 5.444 1.00 0.00 C ATOM 0 H VAL A 91 -10.408 -6.918 2.028 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.201 -6.100 4.858 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.421 -8.100 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.963 -10.052 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.314 -8.598 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.636 -9.163 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.880 -9.853 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.509 -8.953 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.447 -8.253 6.346 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.934 -6.853 2.692 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.501 -6.893 2.426 1.00 0.00 C ATOM 1413 C ASP A 92 -5.896 -5.495 2.504 1.00 0.00 C ATOM 1414 O ASP A 92 -4.824 -5.239 1.952 1.00 0.00 O ATOM 1415 CB ASP A 92 -6.234 -7.503 1.049 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.451 -9.003 1.027 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -7.477 -9.462 1.573 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.597 -9.718 0.465 1.00 0.00 O ATOM 0 H ASP A 92 -8.518 -6.834 1.856 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.031 -7.516 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.888 -7.034 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.209 -7.283 0.750 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.588 -4.593 3.190 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.120 -3.220 3.339 1.00 0.00 C ATOM 1425 C LEU A 93 -5.742 -2.928 4.788 1.00 0.00 C ATOM 1426 O LEU A 93 -5.856 -3.793 5.657 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.197 -2.239 2.873 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.723 -2.445 1.452 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -8.960 -1.594 1.212 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.643 -2.120 0.431 1.00 0.00 C ATOM 0 H LEU A 93 -7.476 -4.788 3.652 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.232 -3.096 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.039 -2.300 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.796 -1.228 2.948 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.000 -3.493 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.320 -1.754 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.738 -1.875 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.710 -0.542 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.035 -2.272 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.334 -1.081 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.785 -2.773 0.589 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.295 -1.702 5.042 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.903 -1.294 6.386 1.00 0.00 C ATOM 1444 C PHE A 94 -5.289 0.157 6.649 1.00 0.00 C ATOM 1445 O PHE A 94 -5.247 0.995 5.747 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.395 -1.476 6.576 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.575 -0.400 5.924 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.293 -0.453 4.568 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.088 0.664 6.665 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.537 0.536 3.965 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.332 1.656 6.068 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.058 1.592 4.716 1.00 0.00 C ATOM 0 H PHE A 94 -5.195 -0.974 4.335 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.432 -1.926 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.171 -1.496 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.100 -2.443 6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.667 -1.275 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.301 0.720 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.321 0.483 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.957 2.479 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.470 2.367 4.246 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.667 0.448 7.890 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.062 1.799 8.271 1.00 0.00 C ATOM 1464 C GLU A 95 -4.873 2.752 8.209 1.00 0.00 C ATOM 1465 O GLU A 95 -3.758 2.351 7.874 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.658 1.801 9.680 1.00 0.00 C ATOM 1467 CG GLU A 95 -7.849 0.871 9.839 1.00 0.00 C ATOM 1468 CD GLU A 95 -7.438 -0.578 10.015 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -6.407 -0.827 10.674 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -8.148 -1.463 9.493 1.00 0.00 O ATOM 0 H GLU A 95 -5.708 -0.233 8.648 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.817 2.142 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.885 1.513 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.964 2.816 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.438 1.185 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.493 0.958 8.964 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.118 4.017 8.533 1.00 0.00 N ATOM 1478 CA ALA A 96 -4.067 5.028 8.516 1.00 0.00 C ATOM 1479 C ALA A 96 -3.477 5.231 9.907 1.00 0.00 C ATOM 1480 O ALA A 96 -2.459 5.902 10.068 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.610 6.342 7.973 1.00 0.00 C ATOM 0 H ALA A 96 -6.035 4.367 8.811 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.270 4.678 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.816 7.088 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.977 6.192 6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.427 6.688 8.607 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.125 4.647 10.910 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.665 4.765 12.289 1.00 0.00 C ATOM 1489 C ASN A 97 -2.754 3.599 12.660 1.00 0.00 C ATOM 1490 O ASN A 97 -1.719 3.785 13.299 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.858 4.820 13.244 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.749 3.598 13.126 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.507 2.574 13.766 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.787 3.700 12.304 1.00 0.00 N ATOM 0 H ASN A 97 -4.970 4.088 10.794 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.095 5.690 12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.496 4.905 14.269 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.444 5.715 13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.422 2.911 12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.950 4.568 11.793 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.147 2.396 12.254 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.367 1.199 12.542 1.00 0.00 C ATOM 1503 C ASP A 98 -0.872 1.478 12.406 1.00 0.00 C ATOM 1504 O ASP A 98 -0.078 1.098 13.267 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.772 0.062 11.604 1.00 0.00 C ATOM 1506 CG ASP A 98 -3.013 0.539 10.185 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -2.594 1.669 9.861 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.621 -0.218 9.399 1.00 0.00 O ATOM 0 H ASP A 98 -4.002 2.225 11.724 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.571 0.902 13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.991 -0.698 11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.677 -0.413 11.983 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.497 2.144 11.320 1.00 0.00 N ATOM 1514 CA LEU A 99 0.901 2.474 11.070 1.00 0.00 C ATOM 1515 C LEU A 99 1.339 3.666 11.914 1.00 0.00 C ATOM 1516 O LEU A 99 2.354 3.611 12.608 1.00 0.00 O ATOM 1517 CB LEU A 99 1.117 2.779 9.586 1.00 0.00 C ATOM 1518 CG LEU A 99 2.569 2.944 9.139 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.329 1.636 9.297 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.632 3.428 7.698 1.00 0.00 C ATOM 0 H LEU A 99 -1.142 2.466 10.598 1.00 0.00 H new ATOM 0 HA LEU A 99 1.507 1.612 11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.667 1.976 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.576 3.693 9.341 1.00 0.00 H new ATOM 0 HG LEU A 99 3.041 3.694 9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.361 1.773 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.314 1.331 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.857 0.865 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.674 3.540 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.143 2.702 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.125 4.389 7.615 1.00 0.00 H new ATOM 1532 N PHE A 100 0.564 4.745 11.852 1.00 0.00 N ATOM 1533 CA PHE A 100 0.871 5.951 12.611 1.00 0.00 C ATOM 1534 C PHE A 100 1.148 5.618 14.074 1.00 0.00 C ATOM 1535 O PHE A 100 2.277 5.752 14.548 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.286 6.949 12.515 1.00 0.00 C ATOM 1537 CG PHE A 100 0.141 8.379 12.680 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.866 9.019 11.688 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.184 9.084 13.829 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.259 10.336 11.836 1.00 0.00 C ATOM 1541 CE2 PHE A 100 0.206 10.401 13.982 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.930 11.027 12.985 1.00 0.00 C ATOM 0 H PHE A 100 -0.281 4.808 11.284 1.00 0.00 H new ATOM 0 HA PHE A 100 1.767 6.400 12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.776 6.834 11.548 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.027 6.709 13.278 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.127 8.482 10.788 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.748 8.599 14.612 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.822 10.824 11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.055 10.941 14.880 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.238 12.055 13.105 1.00 0.00 H new ATOM 1552 N GLU A 101 0.112 5.182 14.783 1.00 0.00 N ATOM 1553 CA GLU A 101 0.243 4.830 16.191 1.00 0.00 C ATOM 1554 C GLU A 101 0.693 3.381 16.351 1.00 0.00 C ATOM 1555 O GLU A 101 0.538 2.785 17.417 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.084 5.047 16.921 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.720 6.397 16.638 1.00 0.00 C ATOM 1558 CD GLU A 101 -2.893 6.301 15.682 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -2.660 6.053 14.480 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -4.043 6.474 16.135 1.00 0.00 O ATOM 0 H GLU A 101 -0.828 5.064 14.405 1.00 0.00 H new ATOM 0 HA GLU A 101 1.001 5.478 16.631 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.780 4.259 16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.919 4.950 17.994 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.056 6.840 17.576 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.969 7.067 16.220 1.00 0.00 H new ATOM 1567 N SER A 102 1.250 2.819 15.282 1.00 0.00 N ATOM 1568 CA SER A 102 1.718 1.438 15.300 1.00 0.00 C ATOM 1569 C SER A 102 0.662 0.515 15.902 1.00 0.00 C ATOM 1570 O SER A 102 0.987 -0.498 16.520 1.00 0.00 O ATOM 1571 CB SER A 102 3.020 1.329 16.096 1.00 0.00 C ATOM 1572 OG SER A 102 2.787 1.506 17.482 1.00 0.00 O ATOM 0 H SER A 102 1.388 3.299 14.393 1.00 0.00 H new ATOM 0 HA SER A 102 1.902 1.129 14.271 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.475 0.354 15.922 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.729 2.079 15.745 1.00 0.00 H new ATOM 0 HG SER A 102 1.850 1.753 17.627 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.604 0.873 15.714 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.689 0.067 16.244 1.00 0.00 C ATOM 1580 C GLY A 103 -1.630 -1.370 15.765 1.00 0.00 C ATOM 1581 O GLY A 103 -2.007 -2.288 16.492 1.00 0.00 O ATOM 0 H GLY A 103 -0.898 1.706 15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.653 0.086 17.333 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.642 0.506 15.949 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.158 -1.565 14.537 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.055 -2.900 13.962 1.00 0.00 C ATOM 1587 C ASN A 104 -0.090 -2.910 12.780 1.00 0.00 C ATOM 1588 O ASN A 104 -0.417 -2.426 11.696 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.431 -3.395 13.516 1.00 0.00 C ATOM 1590 CG ASN A 104 -2.581 -4.897 13.659 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -1.729 -5.564 14.248 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -3.668 -5.438 13.120 1.00 0.00 N ATOM 0 H ASN A 104 -0.841 -0.815 13.922 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.668 -3.570 14.730 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.201 -2.898 14.106 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.595 -3.114 12.476 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.823 -6.444 13.185 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.348 -4.847 12.641 1.00 0.00 H new ATOM 1599 N MET A 105 1.097 -3.464 12.996 1.00 0.00 N ATOM 1600 CA MET A 105 2.109 -3.537 11.948 1.00 0.00 C ATOM 1601 C MET A 105 1.773 -4.637 10.945 1.00 0.00 C ATOM 1602 O MET A 105 2.030 -4.500 9.748 1.00 0.00 O ATOM 1603 CB MET A 105 3.488 -3.792 12.557 1.00 0.00 C ATOM 1604 CG MET A 105 4.271 -2.520 12.843 1.00 0.00 C ATOM 1605 SD MET A 105 5.356 -2.052 11.482 1.00 0.00 S ATOM 1606 CE MET A 105 4.162 -1.476 10.278 1.00 0.00 C ATOM 0 H MET A 105 1.383 -3.869 13.887 1.00 0.00 H new ATOM 0 HA MET A 105 2.123 -2.581 11.424 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.369 -4.352 13.485 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.066 -4.420 11.878 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.574 -1.706 13.043 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.866 -2.659 13.746 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.660 -0.839 9.548 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.717 -2.331 9.769 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.381 -0.907 10.783 1.00 0.00 H new ATOM 1616 N THR A 106 1.196 -5.727 11.440 1.00 0.00 N ATOM 1617 CA THR A 106 0.826 -6.850 10.588 1.00 0.00 C ATOM 1618 C THR A 106 -0.269 -6.456 9.604 1.00 0.00 C ATOM 1619 O THR A 106 -0.269 -6.893 8.454 1.00 0.00 O ATOM 1620 CB THR A 106 0.344 -8.053 11.421 1.00 0.00 C ATOM 1621 OG1 THR A 106 0.245 -9.216 10.590 1.00 0.00 O ATOM 1622 CG2 THR A 106 -1.006 -7.763 12.059 1.00 0.00 C ATOM 0 H THR A 106 0.975 -5.856 12.427 1.00 0.00 H new ATOM 0 HA THR A 106 1.721 -7.136 10.036 1.00 0.00 H new ATOM 0 HB THR A 106 1.071 -8.233 12.213 1.00 0.00 H new ATOM 0 HG1 THR A 106 -0.060 -9.977 11.127 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.326 -8.627 12.642 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.920 -6.895 12.713 1.00 0.00 H new ATOM 0 HG23 THR A 106 -1.740 -7.559 11.280 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.202 -5.629 10.064 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.304 -5.176 9.223 1.00 0.00 C ATOM 1632 C GLN A 107 -1.783 -4.443 7.992 1.00 0.00 C ATOM 1633 O GLN A 107 -2.308 -4.607 6.890 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.238 -4.262 10.019 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.547 -3.961 9.306 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.264 -5.217 8.849 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.000 -5.840 9.615 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.053 -5.595 7.594 1.00 0.00 N ATOM 0 H GLN A 107 -1.217 -5.259 11.014 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.860 -6.053 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.456 -4.727 10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.724 -3.324 10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.199 -3.397 9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.349 -3.326 8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.435 -5.049 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.509 -6.432 7.230 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.747 -3.633 8.185 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.155 -2.875 7.089 1.00 0.00 C ATOM 1649 C VAL A 108 0.805 -3.740 6.279 1.00 0.00 C ATOM 1650 O VAL A 108 0.945 -3.561 5.070 1.00 0.00 O ATOM 1651 CB VAL A 108 0.600 -1.637 7.608 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.127 -0.808 6.446 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.301 -0.800 8.504 1.00 0.00 C ATOM 0 H VAL A 108 -0.300 -3.485 9.090 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.975 -2.550 6.449 1.00 0.00 H new ATOM 0 HB VAL A 108 1.451 -1.974 8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.658 0.063 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.808 -1.413 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.293 -0.479 5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.249 0.071 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.173 -0.471 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.626 -1.399 9.355 1.00 0.00 H new ATOM 1663 N GLN A 109 1.464 -4.675 6.955 1.00 0.00 N ATOM 1664 CA GLN A 109 2.411 -5.567 6.297 1.00 0.00 C ATOM 1665 C GLN A 109 1.706 -6.449 5.271 1.00 0.00 C ATOM 1666 O GLN A 109 2.100 -6.498 4.105 1.00 0.00 O ATOM 1667 CB GLN A 109 3.124 -6.440 7.331 1.00 0.00 C ATOM 1668 CG GLN A 109 4.107 -7.427 6.721 1.00 0.00 C ATOM 1669 CD GLN A 109 4.748 -8.329 7.757 1.00 0.00 C ATOM 1670 OE1 GLN A 109 4.420 -8.263 8.942 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.668 -9.177 7.315 1.00 0.00 N ATOM 0 H GLN A 109 1.360 -4.835 7.957 1.00 0.00 H new ATOM 0 HA GLN A 109 3.148 -4.954 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.656 -5.797 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.379 -6.990 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.590 -8.039 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.886 -6.878 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.909 -9.197 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.135 -9.808 7.966 1.00 0.00 H new ATOM 1680 N VAL A 110 0.663 -7.145 5.712 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.098 -8.024 4.831 1.00 0.00 C ATOM 1682 C VAL A 110 -0.551 -7.286 3.576 1.00 0.00 C ATOM 1683 O VAL A 110 -0.473 -7.817 2.469 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.332 -8.603 5.547 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.908 -9.555 6.654 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.202 -7.484 6.098 1.00 0.00 C ATOM 0 H VAL A 110 0.325 -7.117 6.674 1.00 0.00 H new ATOM 0 HA VAL A 110 0.566 -8.841 4.548 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.921 -9.166 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.793 -9.955 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.330 -10.375 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.297 -9.019 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.070 -7.912 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.626 -6.892 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.535 -6.846 5.280 1.00 0.00 H new ATOM 1696 N SER A 111 -1.024 -6.057 3.757 1.00 0.00 N ATOM 1697 CA SER A 111 -1.494 -5.246 2.640 1.00 0.00 C ATOM 1698 C SER A 111 -0.458 -5.214 1.520 1.00 0.00 C ATOM 1699 O SER A 111 -0.781 -5.440 0.353 1.00 0.00 O ATOM 1700 CB SER A 111 -1.800 -3.823 3.108 1.00 0.00 C ATOM 1701 OG SER A 111 -2.727 -3.189 2.243 1.00 0.00 O ATOM 0 H SER A 111 -1.092 -5.601 4.667 1.00 0.00 H new ATOM 0 HA SER A 111 -2.408 -5.697 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.202 -3.849 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.878 -3.243 3.146 1.00 0.00 H new ATOM 0 HG SER A 111 -3.404 -3.837 1.958 1.00 0.00 H new ATOM 1707 N LEU A 112 0.788 -4.929 1.883 1.00 0.00 N ATOM 1708 CA LEU A 112 1.873 -4.868 0.910 1.00 0.00 C ATOM 1709 C LEU A 112 2.151 -6.244 0.315 1.00 0.00 C ATOM 1710 O LEU A 112 2.373 -6.378 -0.889 1.00 0.00 O ATOM 1711 CB LEU A 112 3.141 -4.317 1.566 1.00 0.00 C ATOM 1712 CG LEU A 112 2.992 -2.984 2.301 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.301 -2.595 2.970 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.536 -1.894 1.343 1.00 0.00 C ATOM 0 H LEU A 112 1.072 -4.737 2.844 1.00 0.00 H new ATOM 0 HA LEU A 112 1.568 -4.201 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.512 -5.059 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.903 -4.201 0.796 1.00 0.00 H new ATOM 0 HG LEU A 112 2.233 -3.100 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.176 -1.644 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.586 -3.365 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.081 -2.497 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.435 -0.953 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.271 -1.778 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.574 -2.169 0.911 1.00 0.00 H new ATOM 1726 N LEU A 113 2.135 -7.264 1.165 1.00 0.00 N ATOM 1727 CA LEU A 113 2.383 -8.632 0.722 1.00 0.00 C ATOM 1728 C LEU A 113 1.300 -9.096 -0.246 1.00 0.00 C ATOM 1729 O LEU A 113 1.527 -9.984 -1.067 1.00 0.00 O ATOM 1730 CB LEU A 113 2.445 -9.574 1.925 1.00 0.00 C ATOM 1731 CG LEU A 113 3.765 -9.592 2.698 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.611 -10.361 4.000 1.00 0.00 C ATOM 1733 CD2 LEU A 113 4.872 -10.197 1.846 1.00 0.00 C ATOM 0 H LEU A 113 1.953 -7.170 2.164 1.00 0.00 H new ATOM 0 HA LEU A 113 3.341 -8.652 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.647 -9.302 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.236 -10.586 1.579 1.00 0.00 H new ATOM 0 HG LEU A 113 4.038 -8.564 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.560 -10.363 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.848 -9.885 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.315 -11.387 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.804 -10.202 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.606 -11.219 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.000 -9.604 0.941 1.00 0.00 H new ATOM 1745 N ALA A 114 0.123 -8.487 -0.146 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.994 -8.835 -1.016 1.00 0.00 C ATOM 1747 C ALA A 114 -1.004 -7.966 -2.270 1.00 0.00 C ATOM 1748 O ALA A 114 -1.360 -8.429 -3.354 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.310 -8.697 -0.265 1.00 0.00 C ATOM 0 H ALA A 114 -0.082 -7.750 0.529 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.872 -9.873 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.136 -8.960 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.309 -9.364 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.430 -7.668 0.073 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.612 -6.706 -2.114 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.577 -5.773 -3.234 1.00 0.00 C ATOM 1757 C LEU A 115 0.609 -6.063 -4.148 1.00 0.00 C ATOM 1758 O LEU A 115 0.533 -5.867 -5.360 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.500 -4.333 -2.721 1.00 0.00 C ATOM 1760 CG LEU A 115 0.020 -3.294 -3.714 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -1.111 -2.781 -4.593 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.690 -2.142 -2.979 1.00 0.00 C ATOM 0 H LEU A 115 -0.314 -6.308 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.494 -5.899 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.496 -4.030 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.141 -4.316 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 115 0.762 -3.772 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.721 -2.042 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.547 -3.612 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.877 -2.320 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.054 -1.412 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.031 -1.666 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.527 -2.522 -2.394 1.00 0.00 H new ATOM 1774 N ALA A 116 1.704 -6.532 -3.558 1.00 0.00 N ATOM 1775 CA ALA A 116 2.904 -6.855 -4.319 1.00 0.00 C ATOM 1776 C ALA A 116 2.678 -8.070 -5.212 1.00 0.00 C ATOM 1777 O ALA A 116 2.969 -8.037 -6.407 1.00 0.00 O ATOM 1778 CB ALA A 116 4.075 -7.097 -3.380 1.00 0.00 C ATOM 0 H ALA A 116 1.784 -6.697 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 116 3.137 -6.005 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.965 -7.337 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.259 -6.200 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.842 -7.928 -2.714 1.00 0.00 H new ATOM 1784 N GLY A 117 2.159 -9.143 -4.623 1.00 0.00 N ATOM 1785 CA GLY A 117 1.904 -10.354 -5.380 1.00 0.00 C ATOM 1786 C GLY A 117 1.217 -10.078 -6.703 1.00 0.00 C ATOM 1787 O GLY A 117 1.435 -10.787 -7.685 1.00 0.00 O ATOM 0 H GLY A 117 1.911 -9.195 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.847 -10.869 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.285 -11.026 -4.786 1.00 0.00 H new ATOM 1791 N LYS A 118 0.381 -9.045 -6.729 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.341 -8.676 -7.940 1.00 0.00 C ATOM 1793 C LYS A 118 0.533 -7.828 -8.858 1.00 0.00 C ATOM 1794 O LYS A 118 0.571 -8.046 -10.069 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.618 -7.909 -7.583 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.274 -7.232 -8.774 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.381 -6.288 -8.338 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.623 -7.049 -7.902 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.283 -7.738 -9.047 1.00 0.00 N ATOM 0 H LYS A 118 0.187 -8.449 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.609 -9.592 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.331 -8.598 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.381 -7.155 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.523 -6.678 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.682 -7.988 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.027 -5.666 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.633 -5.618 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.351 -7.784 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.328 -6.359 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.260 -7.982 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.290 -7.107 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.759 -8.606 -9.278 1.00 0.00 H new ATOM 1813 N ALA A 119 1.235 -6.862 -8.275 1.00 0.00 N ATOM 1814 CA ALA A 119 2.111 -5.985 -9.040 1.00 0.00 C ATOM 1815 C ALA A 119 3.253 -6.769 -9.677 1.00 0.00 C ATOM 1816 O ALA A 119 3.783 -6.380 -10.717 1.00 0.00 O ATOM 1817 CB ALA A 119 2.659 -4.878 -8.151 1.00 0.00 C ATOM 0 H ALA A 119 1.214 -6.667 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 119 1.523 -5.535 -9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.312 -4.231 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.833 -4.292 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.225 -5.318 -7.330 1.00 0.00 H new