USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 342 TYR OH : rot 90:sc= -0.232 USER MOD Set 1.2: A 346 ASN : amide:sc= -0.0486 X(o=-0.28,f=-0.24) USER MOD Set 2.1: A 323 SER OG : rot 87:sc= 0.66 USER MOD Set 2.2: A 330 THR OG1 : rot 39:sc= 0.00236 USER MOD Set 3.1: A 310 HIS : no HD1:sc= -7.34! C(o=-11!,f=-15!) USER MOD Set 3.2: A 312 CYS SG : rot -34:sc= -4.04! USER MOD Set 4.1: A 295 LYS NZ :NH3+ 144:sc= -2.91! (180deg=-2.41!) USER MOD Set 4.2: A 336 LYS NZ :NH3+ 164:sc= -3! (180deg=-2.53!) USER MOD Set 5.1: A 290 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 294 MET CE :methyl -115:sc= -0.0122 (180deg=-1.2) USER MOD Single : A 293 THR OG1 : rot -120:sc= -4.1! USER MOD Single : A 301 THR OG1 : rot 34:sc= 0.101! USER MOD Single : A 305 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 306 THR OG1 : rot 80:sc= 0.0368 USER MOD Single : A 311 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0605) USER MOD Single : A 313 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 172:sc= -2.9! (180deg=-2.96) USER MOD Single : A 325 THR OG1 : rot -94:sc= 0.502! USER MOD Single : A 331 LYS NZ :NH3+ -161:sc= -0.024 (180deg=-0.313) USER MOD Single : A 334 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.77) USER MOD Single : A 337 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 338 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0554) USER MOD Single : A 340 THR OG1 : rot 180:sc= -0.838! USER MOD Single : A 341 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.58) USER MOD Single : A 344 SER OG : rot -43:sc= 0.0562 USER MOD Single : A 345 THR OG1 : rot -42:sc= 0.374 USER MOD Single : A 350 GLN : amide:sc= -0.755 K(o=-0.75,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.823 2.490 2.781 1.00 0.00 N ATOM 2 CA PHE A 289 -18.498 1.962 2.354 1.00 0.00 C ATOM 3 C PHE A 289 -18.123 2.559 1.000 1.00 0.00 C ATOM 4 O PHE A 289 -17.253 2.068 0.310 1.00 0.00 O ATOM 5 CB PHE A 289 -18.578 0.442 2.212 1.00 0.00 C ATOM 6 CG PHE A 289 -19.188 -0.151 3.458 1.00 0.00 C ATOM 7 CD1 PHE A 289 -20.577 -0.283 3.560 1.00 0.00 C ATOM 8 CD2 PHE A 289 -18.365 -0.568 4.510 1.00 0.00 C ATOM 9 CE1 PHE A 289 -21.144 -0.831 4.717 1.00 0.00 C ATOM 10 CE2 PHE A 289 -18.932 -1.117 5.666 1.00 0.00 C ATOM 11 CZ PHE A 289 -20.322 -1.249 5.770 1.00 0.00 C ATOM 0 HA PHE A 289 -17.749 2.229 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.178 0.179 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.582 0.029 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -21.211 0.038 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.293 -0.466 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -22.216 -0.931 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -18.297 -1.439 6.478 1.00 0.00 H new ATOM 0 HZ PHE A 289 -20.760 -1.673 6.662 1.00 0.00 H new ATOM 21 N SER A 290 -18.795 3.602 0.604 1.00 0.00 N ATOM 22 CA SER A 290 -18.511 4.231 -0.719 1.00 0.00 C ATOM 23 C SER A 290 -17.521 5.397 -0.582 1.00 0.00 C ATOM 24 O SER A 290 -16.612 5.536 -1.373 1.00 0.00 O ATOM 25 CB SER A 290 -19.837 4.716 -1.334 1.00 0.00 C ATOM 26 OG SER A 290 -19.994 4.132 -2.620 1.00 0.00 O ATOM 0 H SER A 290 -19.535 4.051 1.143 1.00 0.00 H new ATOM 0 HA SER A 290 -18.050 3.491 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.673 4.440 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.840 5.803 -1.412 1.00 0.00 H new ATOM 0 HG SER A 290 -20.837 4.435 -3.016 1.00 0.00 H new ATOM 32 N PRO A 291 -17.711 6.242 0.386 1.00 0.00 N ATOM 33 CA PRO A 291 -16.842 7.423 0.597 1.00 0.00 C ATOM 34 C PRO A 291 -15.629 7.141 1.491 1.00 0.00 C ATOM 35 O PRO A 291 -14.523 7.539 1.190 1.00 0.00 O ATOM 36 CB PRO A 291 -17.795 8.416 1.263 1.00 0.00 C ATOM 37 CG PRO A 291 -18.730 7.562 2.071 1.00 0.00 C ATOM 38 CD PRO A 291 -18.774 6.175 1.394 1.00 0.00 C ATOM 0 HA PRO A 291 -16.397 7.775 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.255 9.120 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.336 9.004 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.383 7.478 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.725 8.006 2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.595 5.374 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.745 5.983 0.938 1.00 0.00 H new ATOM 46 N GLU A 292 -15.830 6.484 2.602 1.00 0.00 N ATOM 47 CA GLU A 292 -14.685 6.211 3.529 1.00 0.00 C ATOM 48 C GLU A 292 -13.971 4.902 3.170 1.00 0.00 C ATOM 49 O GLU A 292 -12.769 4.868 2.981 1.00 0.00 O ATOM 50 CB GLU A 292 -15.206 6.145 4.975 1.00 0.00 C ATOM 51 CG GLU A 292 -16.311 5.070 5.112 1.00 0.00 C ATOM 52 CD GLU A 292 -15.710 3.733 5.567 1.00 0.00 C ATOM 53 OE1 GLU A 292 -14.499 3.592 5.502 1.00 0.00 O ATOM 54 OE2 GLU A 292 -16.473 2.872 5.974 1.00 0.00 O ATOM 0 H GLU A 292 -16.733 6.124 2.910 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.962 7.021 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.384 5.916 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.600 7.118 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -17.061 5.401 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.820 4.940 4.157 1.00 0.00 H new ATOM 61 N THR A 293 -14.692 3.825 3.110 1.00 0.00 N ATOM 62 CA THR A 293 -14.061 2.508 2.805 1.00 0.00 C ATOM 63 C THR A 293 -13.478 2.485 1.396 1.00 0.00 C ATOM 64 O THR A 293 -12.333 2.135 1.195 1.00 0.00 O ATOM 65 CB THR A 293 -15.127 1.419 2.907 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.802 1.532 4.149 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.483 0.040 2.801 1.00 0.00 C ATOM 0 H THR A 293 -15.701 3.795 3.260 1.00 0.00 H new ATOM 0 HA THR A 293 -13.254 2.339 3.518 1.00 0.00 H new ATOM 0 HB THR A 293 -15.838 1.542 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.689 0.703 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.253 -0.728 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.972 -0.050 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.763 -0.089 3.610 1.00 0.00 H new ATOM 75 N MET A 294 -14.266 2.811 0.417 1.00 0.00 N ATOM 76 CA MET A 294 -13.765 2.756 -0.984 1.00 0.00 C ATOM 77 C MET A 294 -12.616 3.759 -1.163 1.00 0.00 C ATOM 78 O MET A 294 -11.781 3.606 -2.031 1.00 0.00 O ATOM 79 CB MET A 294 -14.925 3.069 -1.944 1.00 0.00 C ATOM 80 CG MET A 294 -14.758 2.272 -3.243 1.00 0.00 C ATOM 81 SD MET A 294 -16.144 2.627 -4.359 1.00 0.00 S ATOM 82 CE MET A 294 -17.412 1.603 -3.555 1.00 0.00 C ATOM 0 H MET A 294 -15.234 3.113 0.522 1.00 0.00 H new ATOM 0 HA MET A 294 -13.383 1.760 -1.207 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.876 2.818 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.949 4.137 -2.163 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.815 2.534 -3.723 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.719 1.205 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.710 0.799 -4.227 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.007 1.177 -2.637 1.00 0.00 H new ATOM 0 HE3 MET A 294 -18.280 2.218 -3.318 1.00 0.00 H new ATOM 92 N LYS A 295 -12.554 4.769 -0.338 1.00 0.00 N ATOM 93 CA LYS A 295 -11.455 5.754 -0.445 1.00 0.00 C ATOM 94 C LYS A 295 -10.164 5.045 -0.047 1.00 0.00 C ATOM 95 O LYS A 295 -9.111 5.299 -0.597 1.00 0.00 O ATOM 96 CB LYS A 295 -11.803 6.936 0.484 1.00 0.00 C ATOM 97 CG LYS A 295 -10.544 7.639 1.026 1.00 0.00 C ATOM 98 CD LYS A 295 -10.159 7.055 2.395 1.00 0.00 C ATOM 99 CE LYS A 295 -8.704 7.395 2.713 1.00 0.00 C ATOM 100 NZ LYS A 295 -8.431 7.111 4.151 1.00 0.00 N ATOM 0 H LYS A 295 -13.225 4.950 0.409 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.323 6.147 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -12.414 7.656 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -12.404 6.575 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -9.719 7.515 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -10.727 8.710 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -10.813 7.457 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -10.297 5.974 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -8.036 6.809 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -8.509 8.445 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -7.462 6.747 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -8.534 7.986 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -9.107 6.401 4.499 1.00 0.00 H new ATOM 114 N ALA A 296 -10.240 4.128 0.872 1.00 0.00 N ATOM 115 CA ALA A 296 -9.017 3.382 1.250 1.00 0.00 C ATOM 116 C ALA A 296 -8.663 2.482 0.068 1.00 0.00 C ATOM 117 O ALA A 296 -7.518 2.363 -0.322 1.00 0.00 O ATOM 118 CB ALA A 296 -9.289 2.539 2.491 1.00 0.00 C ATOM 0 H ALA A 296 -11.089 3.866 1.373 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.196 4.061 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.386 1.993 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.583 3.189 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.092 1.832 2.282 1.00 0.00 H new ATOM 124 N ARG A 297 -9.657 1.872 -0.526 1.00 0.00 N ATOM 125 CA ARG A 297 -9.408 1.009 -1.710 1.00 0.00 C ATOM 126 C ARG A 297 -8.934 1.905 -2.850 1.00 0.00 C ATOM 127 O ARG A 297 -8.145 1.514 -3.688 1.00 0.00 O ATOM 128 CB ARG A 297 -10.705 0.311 -2.124 1.00 0.00 C ATOM 129 CG ARG A 297 -11.322 -0.368 -0.906 1.00 0.00 C ATOM 130 CD ARG A 297 -12.423 -1.331 -1.356 1.00 0.00 C ATOM 131 NE ARG A 297 -11.808 -2.545 -1.963 1.00 0.00 N ATOM 132 CZ ARG A 297 -12.524 -3.625 -2.134 1.00 0.00 C ATOM 133 NH1 ARG A 297 -13.776 -3.642 -1.768 1.00 0.00 N ATOM 134 NH2 ARG A 297 -11.987 -4.687 -2.669 1.00 0.00 N ATOM 0 H ARG A 297 -10.633 1.938 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.659 0.253 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.403 1.035 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -10.503 -0.425 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.555 -0.910 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -11.734 0.381 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.044 -1.612 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.075 -0.841 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 297 -10.828 -2.533 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.196 -2.813 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.335 -4.485 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -11.008 -4.675 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -12.546 -5.529 -2.802 1.00 0.00 H new ATOM 148 N ARG A 298 -9.416 3.117 -2.873 1.00 0.00 N ATOM 149 CA ARG A 298 -9.011 4.074 -3.935 1.00 0.00 C ATOM 150 C ARG A 298 -7.526 4.389 -3.767 1.00 0.00 C ATOM 151 O ARG A 298 -6.752 4.298 -4.699 1.00 0.00 O ATOM 152 CB ARG A 298 -9.838 5.355 -3.788 1.00 0.00 C ATOM 153 CG ARG A 298 -9.678 6.242 -5.037 1.00 0.00 C ATOM 154 CD ARG A 298 -10.635 5.786 -6.148 1.00 0.00 C ATOM 155 NE ARG A 298 -10.657 6.812 -7.229 1.00 0.00 N ATOM 156 CZ ARG A 298 -11.152 6.515 -8.399 1.00 0.00 C ATOM 157 NH1 ARG A 298 -11.617 5.317 -8.626 1.00 0.00 N ATOM 158 NH2 ARG A 298 -11.178 7.414 -9.344 1.00 0.00 N ATOM 0 H ARG A 298 -10.080 3.487 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.183 3.647 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.889 5.103 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.518 5.903 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.879 7.282 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.649 6.195 -5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -10.314 4.825 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -11.638 5.644 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 298 -10.285 7.746 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.594 4.613 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -12.004 5.085 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -10.811 8.349 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -11.565 7.181 -10.259 1.00 0.00 H new ATOM 172 N ALA A 299 -7.122 4.738 -2.576 1.00 0.00 N ATOM 173 CA ALA A 299 -5.680 5.035 -2.342 1.00 0.00 C ATOM 174 C ALA A 299 -4.876 3.777 -2.667 1.00 0.00 C ATOM 175 O ALA A 299 -3.750 3.833 -3.128 1.00 0.00 O ATOM 176 CB ALA A 299 -5.468 5.411 -0.873 1.00 0.00 C ATOM 0 H ALA A 299 -7.725 4.830 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.357 5.864 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.414 5.628 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.064 6.292 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.776 4.581 -0.237 1.00 0.00 H new ATOM 182 N TRP A 300 -5.468 2.637 -2.441 1.00 0.00 N ATOM 183 CA TRP A 300 -4.786 1.349 -2.737 1.00 0.00 C ATOM 184 C TRP A 300 -4.736 1.140 -4.251 1.00 0.00 C ATOM 185 O TRP A 300 -3.994 0.317 -4.745 1.00 0.00 O ATOM 186 CB TRP A 300 -5.579 0.210 -2.104 1.00 0.00 C ATOM 187 CG TRP A 300 -5.546 0.226 -0.587 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.383 -0.526 0.173 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.685 0.954 0.378 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.084 -0.348 1.504 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.058 0.546 1.689 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.630 1.901 0.276 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.418 1.035 2.827 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -2.994 2.391 1.429 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.382 1.956 2.697 1.00 0.00 C ATOM 0 H TRP A 300 -6.409 2.544 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.773 1.368 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.615 0.268 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.182 -0.741 -2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.164 -1.166 -0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.568 -0.825 2.265 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.314 2.247 -0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.725 0.700 3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.196 3.112 1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -2.880 2.333 3.576 1.00 0.00 H new ATOM 206 N THR A 301 -5.514 1.875 -4.992 1.00 0.00 N ATOM 207 CA THR A 301 -5.501 1.708 -6.475 1.00 0.00 C ATOM 208 C THR A 301 -4.268 2.404 -7.068 1.00 0.00 C ATOM 209 O THR A 301 -3.504 1.817 -7.807 1.00 0.00 O ATOM 210 CB THR A 301 -6.762 2.338 -7.066 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.883 2.000 -6.262 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.978 1.825 -8.492 1.00 0.00 C ATOM 0 H THR A 301 -6.158 2.583 -4.639 1.00 0.00 H new ATOM 0 HA THR A 301 -5.468 0.645 -6.715 1.00 0.00 H new ATOM 0 HB THR A 301 -6.646 3.422 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.606 1.938 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.878 2.277 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.119 2.091 -9.108 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.091 0.741 -8.476 1.00 0.00 H new ATOM 220 N ASP A 302 -4.086 3.662 -6.763 1.00 0.00 N ATOM 221 CA ASP A 302 -2.921 4.412 -7.317 1.00 0.00 C ATOM 222 C ASP A 302 -1.615 3.696 -6.967 1.00 0.00 C ATOM 223 O ASP A 302 -0.721 3.580 -7.782 1.00 0.00 O ATOM 224 CB ASP A 302 -2.901 5.824 -6.726 1.00 0.00 C ATOM 225 CG ASP A 302 -4.265 6.485 -6.939 1.00 0.00 C ATOM 226 OD1 ASP A 302 -4.444 7.103 -7.976 1.00 0.00 O ATOM 227 OD2 ASP A 302 -5.105 6.361 -6.064 1.00 0.00 O ATOM 0 H ASP A 302 -4.697 4.204 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.016 4.465 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -2.668 5.781 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.119 6.417 -7.200 1.00 0.00 H new ATOM 232 N VAL A 303 -1.485 3.221 -5.766 1.00 0.00 N ATOM 233 CA VAL A 303 -0.230 2.525 -5.388 1.00 0.00 C ATOM 234 C VAL A 303 -0.198 1.138 -6.041 1.00 0.00 C ATOM 235 O VAL A 303 0.849 0.628 -6.382 1.00 0.00 O ATOM 236 CB VAL A 303 -0.176 2.388 -3.864 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.427 3.757 -3.224 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.251 1.399 -3.397 1.00 0.00 C ATOM 0 H VAL A 303 -2.190 3.284 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 303 0.631 3.098 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 303 0.806 2.019 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.389 3.664 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.338 4.459 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.409 4.124 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.211 1.303 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.235 1.764 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.073 0.426 -3.854 1.00 0.00 H new ATOM 248 N ILE A 304 -1.340 0.525 -6.222 1.00 0.00 N ATOM 249 CA ILE A 304 -1.362 -0.831 -6.850 1.00 0.00 C ATOM 250 C ILE A 304 -0.606 -0.783 -8.189 1.00 0.00 C ATOM 251 O ILE A 304 0.123 -1.694 -8.526 1.00 0.00 O ATOM 252 CB ILE A 304 -2.839 -1.277 -7.042 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.266 -2.201 -5.887 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.038 -2.027 -8.368 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.793 -2.371 -5.880 1.00 0.00 C ATOM 0 H ILE A 304 -2.252 0.901 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.866 -1.559 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.450 -0.375 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.785 -3.173 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.935 -1.783 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.083 -2.322 -8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.766 -1.376 -9.199 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.407 -2.916 -8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.082 -3.027 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.267 -1.398 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.115 -2.809 -6.825 1.00 0.00 H new ATOM 267 N GLN A 305 -0.774 0.259 -8.958 1.00 0.00 N ATOM 268 CA GLN A 305 -0.057 0.327 -10.263 1.00 0.00 C ATOM 269 C GLN A 305 1.415 0.667 -10.024 1.00 0.00 C ATOM 270 O GLN A 305 2.277 0.284 -10.789 1.00 0.00 O ATOM 271 CB GLN A 305 -0.694 1.391 -11.164 1.00 0.00 C ATOM 272 CG GLN A 305 -0.816 2.714 -10.407 1.00 0.00 C ATOM 273 CD GLN A 305 -1.072 3.851 -11.400 1.00 0.00 C ATOM 274 OE1 GLN A 305 -0.425 4.878 -11.344 1.00 0.00 O ATOM 275 NE2 GLN A 305 -1.992 3.707 -12.312 1.00 0.00 N ATOM 0 H GLN A 305 -1.370 1.058 -8.742 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.130 -0.642 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.089 1.530 -12.060 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.679 1.059 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.630 2.658 -9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.097 2.908 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -2.534 2.844 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -2.170 4.457 -12.980 1.00 0.00 H new ATOM 284 N THR A 306 1.713 1.384 -8.976 1.00 0.00 N ATOM 285 CA THR A 306 3.136 1.743 -8.705 1.00 0.00 C ATOM 286 C THR A 306 3.879 0.542 -8.118 1.00 0.00 C ATOM 287 O THR A 306 4.956 0.200 -8.542 1.00 0.00 O ATOM 288 CB THR A 306 3.203 2.883 -7.693 1.00 0.00 C ATOM 289 OG1 THR A 306 2.503 4.011 -8.197 1.00 0.00 O ATOM 290 CG2 THR A 306 4.665 3.251 -7.435 1.00 0.00 C ATOM 0 H THR A 306 1.037 1.736 -8.298 1.00 0.00 H new ATOM 0 HA THR A 306 3.596 2.046 -9.645 1.00 0.00 H new ATOM 0 HB THR A 306 2.742 2.566 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.541 3.887 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.713 4.065 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.194 2.384 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 306 5.131 3.567 -8.368 1.00 0.00 H new ATOM 298 N LEU A 307 3.325 -0.082 -7.123 1.00 0.00 N ATOM 299 CA LEU A 307 4.020 -1.241 -6.493 1.00 0.00 C ATOM 300 C LEU A 307 4.533 -2.199 -7.585 1.00 0.00 C ATOM 301 O LEU A 307 5.715 -2.458 -7.693 1.00 0.00 O ATOM 302 CB LEU A 307 3.027 -1.992 -5.574 1.00 0.00 C ATOM 303 CG LEU A 307 2.988 -1.425 -4.133 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.395 -1.340 -3.506 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.325 -0.040 -4.124 1.00 0.00 C ATOM 0 H LEU A 307 2.421 0.157 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 307 4.865 -0.881 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.028 -1.938 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.302 -3.046 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 307 2.398 -2.114 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.320 -0.937 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.837 -2.336 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.024 -0.687 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.304 0.347 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 307 2.894 0.640 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.306 -0.122 -4.502 1.00 0.00 H new ATOM 317 N ARG A 308 3.647 -2.740 -8.374 1.00 0.00 N ATOM 318 CA ARG A 308 4.061 -3.701 -9.440 1.00 0.00 C ATOM 319 C ARG A 308 5.212 -3.141 -10.291 1.00 0.00 C ATOM 320 O ARG A 308 5.708 -3.813 -11.173 1.00 0.00 O ATOM 321 CB ARG A 308 2.866 -4.011 -10.346 1.00 0.00 C ATOM 322 CG ARG A 308 2.371 -2.729 -11.019 1.00 0.00 C ATOM 323 CD ARG A 308 1.137 -3.047 -11.866 1.00 0.00 C ATOM 324 NE ARG A 308 0.781 -1.861 -12.694 1.00 0.00 N ATOM 325 CZ ARG A 308 -0.039 -1.993 -13.702 1.00 0.00 C ATOM 326 NH1 ARG A 308 -0.538 -3.164 -13.989 1.00 0.00 N ATOM 327 NH2 ARG A 308 -0.357 -0.954 -14.425 1.00 0.00 N ATOM 0 H ARG A 308 2.645 -2.557 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 308 4.410 -4.611 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 308 3.153 -4.741 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.062 -4.458 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 308 2.126 -1.980 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.157 -2.306 -11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.335 -3.905 -12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 308 0.301 -3.318 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 308 1.177 -0.947 -12.474 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -0.288 -3.977 -13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -1.178 -3.266 -14.776 1.00 0.00 H new ATOM 0 HH21 ARG A 308 0.035 -0.039 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 308 -0.997 -1.057 -15.212 1.00 0.00 H new ATOM 341 N GLU A 309 5.636 -1.925 -10.065 1.00 0.00 N ATOM 342 CA GLU A 309 6.742 -1.373 -10.910 1.00 0.00 C ATOM 343 C GLU A 309 8.097 -1.897 -10.434 1.00 0.00 C ATOM 344 O GLU A 309 9.057 -1.894 -11.181 1.00 0.00 O ATOM 345 CB GLU A 309 6.739 0.157 -10.837 1.00 0.00 C ATOM 346 CG GLU A 309 5.441 0.681 -11.440 1.00 0.00 C ATOM 347 CD GLU A 309 5.461 2.210 -11.460 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.341 2.779 -10.834 1.00 0.00 O ATOM 349 OE2 GLU A 309 4.597 2.786 -12.100 1.00 0.00 O ATOM 0 H GLU A 309 5.274 -1.298 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 309 6.580 -1.693 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.832 0.484 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 309 7.595 0.561 -11.377 1.00 0.00 H new ATOM 0 HG2 GLU A 309 5.318 0.296 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 309 4.590 0.327 -10.859 1.00 0.00 H new ATOM 356 N HIS A 310 8.195 -2.351 -9.206 1.00 0.00 N ATOM 357 CA HIS A 310 9.502 -2.882 -8.699 1.00 0.00 C ATOM 358 C HIS A 310 9.292 -4.227 -7.979 1.00 0.00 C ATOM 359 O HIS A 310 8.406 -4.988 -8.314 1.00 0.00 O ATOM 360 CB HIS A 310 10.147 -1.840 -7.771 1.00 0.00 C ATOM 361 CG HIS A 310 9.535 -1.888 -6.402 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.182 -2.497 -5.343 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.358 -1.391 -5.894 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.408 -2.356 -4.258 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.280 -1.689 -4.535 1.00 0.00 N ATOM 0 H HIS A 310 7.428 -2.377 -8.534 1.00 0.00 H new ATOM 0 HA HIS A 310 10.175 -3.063 -9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.219 -2.024 -7.701 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.022 -0.843 -8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.611 -0.854 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.663 -2.734 -3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.526 -1.451 -3.890 1.00 0.00 H new ATOM 373 N LYS A 311 10.119 -4.532 -7.011 1.00 0.00 N ATOM 374 CA LYS A 311 9.995 -5.836 -6.285 1.00 0.00 C ATOM 375 C LYS A 311 8.928 -5.772 -5.194 1.00 0.00 C ATOM 376 O LYS A 311 9.236 -5.708 -4.021 1.00 0.00 O ATOM 377 CB LYS A 311 11.338 -6.187 -5.639 1.00 0.00 C ATOM 378 CG LYS A 311 12.426 -6.287 -6.714 1.00 0.00 C ATOM 379 CD LYS A 311 12.310 -7.620 -7.473 1.00 0.00 C ATOM 380 CE LYS A 311 13.600 -7.880 -8.254 1.00 0.00 C ATOM 381 NZ LYS A 311 14.642 -8.403 -7.328 1.00 0.00 N ATOM 0 H LYS A 311 10.879 -3.932 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 311 9.704 -6.596 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.608 -5.427 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.257 -7.132 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.334 -5.455 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 311 13.410 -6.209 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 311 12.127 -8.434 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 311 11.460 -7.589 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.416 -8.597 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.945 -6.959 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 15.564 -7.991 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 14.399 -8.145 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 14.692 -9.439 -7.411 1.00 0.00 H new ATOM 395 N CYS A 312 7.682 -5.833 -5.563 1.00 0.00 N ATOM 396 CA CYS A 312 6.605 -5.820 -4.536 1.00 0.00 C ATOM 397 C CYS A 312 5.295 -6.269 -5.175 1.00 0.00 C ATOM 398 O CYS A 312 4.643 -5.523 -5.875 1.00 0.00 O ATOM 399 CB CYS A 312 6.428 -4.416 -3.950 1.00 0.00 C ATOM 400 SG CYS A 312 7.567 -4.188 -2.563 1.00 0.00 S ATOM 0 H CYS A 312 7.362 -5.891 -6.530 1.00 0.00 H new ATOM 0 HA CYS A 312 6.883 -6.500 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.618 -3.665 -4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 312 5.400 -4.278 -3.616 1.00 0.00 H new ATOM 0 HG CYS A 312 7.719 -5.317 -1.936 1.00 0.00 H new ATOM 406 N GLN A 313 4.900 -7.478 -4.922 1.00 0.00 N ATOM 407 CA GLN A 313 3.620 -7.976 -5.496 1.00 0.00 C ATOM 408 C GLN A 313 2.453 -7.300 -4.750 1.00 0.00 C ATOM 409 O GLN A 313 2.300 -7.493 -3.562 1.00 0.00 O ATOM 410 CB GLN A 313 3.533 -9.492 -5.300 1.00 0.00 C ATOM 411 CG GLN A 313 4.515 -10.183 -6.248 1.00 0.00 C ATOM 412 CD GLN A 313 4.481 -11.695 -6.012 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.948 -12.162 -4.916 1.00 0.00 O flip ATOM 414 NE2 GLN A 313 4.945 -12.459 -6.833 1.00 0.00 N flip ATOM 0 H GLN A 313 5.406 -8.147 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 313 3.571 -7.745 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.765 -9.750 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.518 -9.838 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.254 -9.961 -7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.523 -9.802 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.362 -12.095 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 313 4.918 -13.465 -6.666 1.00 0.00 H new ATOM 423 N PRO A 314 1.642 -6.496 -5.412 1.00 0.00 N ATOM 424 CA PRO A 314 0.505 -5.795 -4.741 1.00 0.00 C ATOM 425 C PRO A 314 -0.744 -6.672 -4.589 1.00 0.00 C ATOM 426 O PRO A 314 -1.110 -7.413 -5.480 1.00 0.00 O ATOM 427 CB PRO A 314 0.225 -4.626 -5.683 1.00 0.00 C ATOM 428 CG PRO A 314 0.547 -5.159 -7.043 1.00 0.00 C ATOM 429 CD PRO A 314 1.700 -6.155 -6.850 1.00 0.00 C ATOM 0 HA PRO A 314 0.755 -5.504 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.814 -4.304 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.843 -3.762 -5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.321 -5.649 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.837 -4.354 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.573 -7.039 -7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.659 -5.711 -7.117 1.00 0.00 H new ATOM 437 N ARG A 315 -1.406 -6.576 -3.466 1.00 0.00 N ATOM 438 CA ARG A 315 -2.643 -7.382 -3.245 1.00 0.00 C ATOM 439 C ARG A 315 -3.583 -6.623 -2.298 1.00 0.00 C ATOM 440 O ARG A 315 -3.145 -5.977 -1.367 1.00 0.00 O ATOM 441 CB ARG A 315 -2.275 -8.739 -2.629 1.00 0.00 C ATOM 442 CG ARG A 315 -1.334 -8.546 -1.419 1.00 0.00 C ATOM 443 CD ARG A 315 0.143 -8.508 -1.849 1.00 0.00 C ATOM 444 NE ARG A 315 0.996 -8.844 -0.672 1.00 0.00 N ATOM 445 CZ ARG A 315 2.235 -9.213 -0.842 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.732 -9.309 -2.044 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.977 -9.496 0.193 1.00 0.00 N ATOM 0 H ARG A 315 -1.142 -5.971 -2.689 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.143 -7.547 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -3.180 -9.260 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -1.791 -9.366 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.588 -7.619 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.485 -9.357 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.319 -9.218 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.399 -7.520 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 315 0.608 -8.785 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.151 -9.095 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.702 -9.598 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.588 -9.428 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 315 3.946 -9.785 0.062 1.00 0.00 H new ATOM 461 N LEU A 316 -4.874 -6.695 -2.528 1.00 0.00 N ATOM 462 CA LEU A 316 -5.853 -5.991 -1.654 1.00 0.00 C ATOM 463 C LEU A 316 -6.662 -7.034 -0.885 1.00 0.00 C ATOM 464 O LEU A 316 -7.335 -7.866 -1.459 1.00 0.00 O ATOM 465 CB LEU A 316 -6.785 -5.157 -2.534 1.00 0.00 C ATOM 466 CG LEU A 316 -7.362 -3.988 -1.738 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.211 -3.135 -2.675 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.228 -4.515 -0.590 1.00 0.00 C ATOM 0 H LEU A 316 -5.291 -7.220 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.338 -5.338 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.239 -4.782 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.594 -5.782 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.553 -3.390 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.631 -2.295 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.590 -2.760 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.020 -3.740 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.636 -3.676 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.045 -5.112 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.620 -5.133 0.070 1.00 0.00 H new ATOM 480 N LEU A 317 -6.595 -6.985 0.410 1.00 0.00 N ATOM 481 CA LEU A 317 -7.349 -7.959 1.263 1.00 0.00 C ATOM 482 C LEU A 317 -8.550 -7.231 1.855 1.00 0.00 C ATOM 483 O LEU A 317 -9.064 -6.340 1.223 1.00 0.00 O ATOM 484 CB LEU A 317 -6.430 -8.484 2.376 1.00 0.00 C ATOM 485 CG LEU A 317 -5.024 -8.693 1.815 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.110 -9.241 2.902 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.087 -9.694 0.667 1.00 0.00 C ATOM 0 H LEU A 317 -6.043 -6.303 0.930 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.689 -8.811 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.402 -7.776 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.819 -9.422 2.772 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.633 -7.740 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.109 -9.388 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -4.065 -8.534 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.500 -10.194 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.086 -9.847 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.480 -10.643 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -5.740 -9.309 -0.116 1.00 0.00 H new ATOM 499 N TYR A 318 -8.979 -7.614 3.050 1.00 0.00 N ATOM 500 CA TYR A 318 -10.159 -6.967 3.755 1.00 0.00 C ATOM 501 C TYR A 318 -10.608 -5.674 3.035 1.00 0.00 C ATOM 502 O TYR A 318 -9.780 -4.957 2.538 1.00 0.00 O ATOM 503 CB TYR A 318 -9.714 -6.627 5.193 1.00 0.00 C ATOM 504 CG TYR A 318 -10.877 -6.706 6.153 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.333 -7.952 6.596 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.505 -5.533 6.592 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.417 -8.027 7.480 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.587 -5.607 7.476 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.044 -6.854 7.920 1.00 0.00 C ATOM 510 OH TYR A 318 -14.114 -6.926 8.790 1.00 0.00 O ATOM 0 H TYR A 318 -8.548 -8.370 3.582 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.004 -7.655 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.931 -7.317 5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.285 -5.625 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.849 -8.856 6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.154 -4.571 6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.769 -8.989 7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.070 -4.703 7.816 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.430 -6.021 8.995 1.00 0.00 H new ATOM 520 N PRO A 319 -11.897 -5.380 2.974 1.00 0.00 N ATOM 521 CA PRO A 319 -12.434 -4.169 2.291 1.00 0.00 C ATOM 522 C PRO A 319 -11.439 -3.007 2.155 1.00 0.00 C ATOM 523 O PRO A 319 -11.599 -2.153 1.308 1.00 0.00 O ATOM 524 CB PRO A 319 -13.607 -3.804 3.184 1.00 0.00 C ATOM 525 CG PRO A 319 -14.185 -5.134 3.577 1.00 0.00 C ATOM 526 CD PRO A 319 -13.017 -6.148 3.550 1.00 0.00 C ATOM 0 HA PRO A 319 -12.690 -4.369 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.284 -3.235 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.337 -3.191 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.632 -5.084 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.974 -5.433 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.780 -6.512 4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.258 -7.020 2.942 1.00 0.00 H new ATOM 534 N ALA A 320 -10.403 -2.973 2.949 1.00 0.00 N ATOM 535 CA ALA A 320 -9.405 -1.873 2.814 1.00 0.00 C ATOM 536 C ALA A 320 -8.028 -2.307 3.335 1.00 0.00 C ATOM 537 O ALA A 320 -7.286 -1.491 3.847 1.00 0.00 O ATOM 538 CB ALA A 320 -9.873 -0.664 3.609 1.00 0.00 C ATOM 0 H ALA A 320 -10.205 -3.655 3.681 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.316 -1.623 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.144 0.140 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -10.837 -0.329 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -9.974 -0.936 4.660 1.00 0.00 H new ATOM 544 N LYS A 321 -7.659 -3.567 3.212 1.00 0.00 N ATOM 545 CA LYS A 321 -6.317 -4.001 3.709 1.00 0.00 C ATOM 546 C LYS A 321 -5.367 -4.158 2.514 1.00 0.00 C ATOM 547 O LYS A 321 -5.567 -4.998 1.660 1.00 0.00 O ATOM 548 CB LYS A 321 -6.484 -5.340 4.444 1.00 0.00 C ATOM 549 CG LYS A 321 -6.762 -5.094 5.941 1.00 0.00 C ATOM 550 CD LYS A 321 -5.438 -4.903 6.705 1.00 0.00 C ATOM 551 CE LYS A 321 -4.928 -6.256 7.216 1.00 0.00 C ATOM 552 NZ LYS A 321 -5.176 -7.313 6.197 1.00 0.00 N ATOM 0 H LYS A 321 -8.227 -4.303 2.792 1.00 0.00 H new ATOM 0 HA LYS A 321 -5.899 -3.262 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.304 -5.906 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.583 -5.942 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.390 -4.211 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.313 -5.936 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.694 -4.448 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.587 -4.221 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -3.862 -6.193 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.430 -6.514 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -4.709 -8.195 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -6.199 -7.476 6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.793 -7.007 5.280 1.00 0.00 H new ATOM 566 N LEU A 322 -4.335 -3.346 2.447 1.00 0.00 N ATOM 567 CA LEU A 322 -3.366 -3.431 1.304 1.00 0.00 C ATOM 568 C LEU A 322 -2.074 -4.084 1.785 1.00 0.00 C ATOM 569 O LEU A 322 -1.369 -3.546 2.607 1.00 0.00 O ATOM 570 CB LEU A 322 -3.099 -1.999 0.799 1.00 0.00 C ATOM 571 CG LEU A 322 -1.998 -1.940 -0.291 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.584 -1.951 0.328 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.149 -3.112 -1.272 1.00 0.00 C ATOM 0 H LEU A 322 -4.122 -2.626 3.137 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.772 -4.035 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -4.023 -1.582 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.805 -1.371 1.640 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.123 -1.002 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.161 -1.909 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.467 -1.087 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.447 -2.865 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -1.368 -3.055 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -2.060 -4.054 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -3.126 -3.061 -1.753 1.00 0.00 H new ATOM 585 N SER A 323 -1.758 -5.248 1.270 1.00 0.00 N ATOM 586 CA SER A 323 -0.504 -5.957 1.684 1.00 0.00 C ATOM 587 C SER A 323 0.539 -5.857 0.569 1.00 0.00 C ATOM 588 O SER A 323 0.218 -5.800 -0.602 1.00 0.00 O ATOM 589 CB SER A 323 -0.827 -7.434 1.959 1.00 0.00 C ATOM 590 OG SER A 323 0.294 -8.237 1.613 1.00 0.00 O ATOM 0 H SER A 323 -2.319 -5.741 0.575 1.00 0.00 H new ATOM 0 HA SER A 323 -0.105 -5.495 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.076 -7.573 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.699 -7.740 1.381 1.00 0.00 H new ATOM 0 HG SER A 323 0.904 -8.295 2.378 1.00 0.00 H new ATOM 596 N ILE A 324 1.792 -5.833 0.940 1.00 0.00 N ATOM 597 CA ILE A 324 2.895 -5.736 -0.061 1.00 0.00 C ATOM 598 C ILE A 324 4.087 -6.570 0.424 1.00 0.00 C ATOM 599 O ILE A 324 4.304 -6.737 1.608 1.00 0.00 O ATOM 600 CB ILE A 324 3.334 -4.267 -0.248 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.328 -3.486 1.108 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.398 -3.583 -1.252 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.753 -3.066 1.483 1.00 0.00 C ATOM 0 H ILE A 324 2.102 -5.877 1.911 1.00 0.00 H new ATOM 0 HA ILE A 324 2.538 -6.115 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 324 4.356 -4.260 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.691 -2.605 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.907 -4.112 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.704 -2.546 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.448 -4.103 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.376 -3.613 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.736 -2.523 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.379 -3.953 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.160 -2.423 0.703 1.00 0.00 H new ATOM 615 N THR A 325 4.848 -7.108 -0.493 1.00 0.00 N ATOM 616 CA THR A 325 6.020 -7.955 -0.116 1.00 0.00 C ATOM 617 C THR A 325 7.310 -7.120 -0.092 1.00 0.00 C ATOM 618 O THR A 325 7.606 -6.387 -1.014 1.00 0.00 O ATOM 619 CB THR A 325 6.158 -9.080 -1.154 1.00 0.00 C ATOM 620 OG1 THR A 325 5.072 -9.984 -1.007 1.00 0.00 O ATOM 621 CG2 THR A 325 7.477 -9.829 -0.946 1.00 0.00 C ATOM 0 H THR A 325 4.707 -6.996 -1.497 1.00 0.00 H new ATOM 0 HA THR A 325 5.862 -8.368 0.880 1.00 0.00 H new ATOM 0 HB THR A 325 6.150 -8.649 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.339 -10.723 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.565 -10.624 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.311 -9.136 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.496 -10.261 0.054 1.00 0.00 H new ATOM 629 N ILE A 326 8.091 -7.250 0.955 1.00 0.00 N ATOM 630 CA ILE A 326 9.381 -6.495 1.052 1.00 0.00 C ATOM 631 C ILE A 326 10.445 -7.422 1.651 1.00 0.00 C ATOM 632 O ILE A 326 10.274 -7.956 2.728 1.00 0.00 O ATOM 633 CB ILE A 326 9.203 -5.270 1.962 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.341 -4.225 1.251 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.574 -4.661 2.287 1.00 0.00 C ATOM 636 CD1 ILE A 326 7.970 -3.117 2.239 1.00 0.00 C ATOM 0 H ILE A 326 7.888 -7.852 1.753 1.00 0.00 H new ATOM 0 HA ILE A 326 9.686 -6.159 0.061 1.00 0.00 H new ATOM 0 HB ILE A 326 8.716 -5.579 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.883 -3.806 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.439 -4.690 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.443 -3.793 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.190 -5.402 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.065 -4.355 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.356 -2.371 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.412 -3.544 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.878 -2.646 2.615 1.00 0.00 H new ATOM 648 N ASP A 327 11.540 -7.611 0.961 1.00 0.00 N ATOM 649 CA ASP A 327 12.626 -8.499 1.482 1.00 0.00 C ATOM 650 C ASP A 327 12.026 -9.762 2.106 1.00 0.00 C ATOM 651 O ASP A 327 12.583 -10.344 3.014 1.00 0.00 O ATOM 652 CB ASP A 327 13.435 -7.746 2.541 1.00 0.00 C ATOM 653 CG ASP A 327 14.209 -6.607 1.876 1.00 0.00 C ATOM 654 OD1 ASP A 327 14.733 -6.825 0.796 1.00 0.00 O ATOM 655 OD2 ASP A 327 14.265 -5.536 2.458 1.00 0.00 O ATOM 0 H ASP A 327 11.731 -7.186 0.053 1.00 0.00 H new ATOM 0 HA ASP A 327 13.275 -8.786 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.770 -7.349 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.125 -8.427 3.039 1.00 0.00 H new ATOM 660 N GLY A 328 10.891 -10.187 1.623 1.00 0.00 N ATOM 661 CA GLY A 328 10.244 -11.412 2.181 1.00 0.00 C ATOM 662 C GLY A 328 9.284 -11.016 3.303 1.00 0.00 C ATOM 663 O GLY A 328 8.232 -11.603 3.467 1.00 0.00 O ATOM 0 H GLY A 328 10.380 -9.738 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.704 -11.941 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.003 -12.096 2.562 1.00 0.00 H new ATOM 667 N GLU A 329 9.632 -10.026 4.079 1.00 0.00 N ATOM 668 CA GLU A 329 8.729 -9.602 5.185 1.00 0.00 C ATOM 669 C GLU A 329 7.547 -8.829 4.593 1.00 0.00 C ATOM 670 O GLU A 329 7.711 -7.810 3.950 1.00 0.00 O ATOM 671 CB GLU A 329 9.512 -8.716 6.180 1.00 0.00 C ATOM 672 CG GLU A 329 9.874 -9.524 7.432 1.00 0.00 C ATOM 673 CD GLU A 329 10.869 -8.734 8.282 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.451 -7.776 8.911 1.00 0.00 O ATOM 675 OE2 GLU A 329 12.033 -9.100 8.292 1.00 0.00 O ATOM 0 H GLU A 329 10.499 -9.495 3.995 1.00 0.00 H new ATOM 0 HA GLU A 329 8.354 -10.475 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.418 -8.338 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.912 -7.849 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.976 -9.739 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.306 -10.483 7.146 1.00 0.00 H new ATOM 682 N THR A 330 6.356 -9.314 4.809 1.00 0.00 N ATOM 683 CA THR A 330 5.149 -8.624 4.265 1.00 0.00 C ATOM 684 C THR A 330 4.661 -7.561 5.254 1.00 0.00 C ATOM 685 O THR A 330 4.754 -7.724 6.454 1.00 0.00 O ATOM 686 CB THR A 330 4.036 -9.650 4.033 1.00 0.00 C ATOM 687 OG1 THR A 330 2.863 -8.980 3.594 1.00 0.00 O ATOM 688 CG2 THR A 330 3.740 -10.399 5.335 1.00 0.00 C ATOM 0 H THR A 330 6.164 -10.163 5.341 1.00 0.00 H new ATOM 0 HA THR A 330 5.409 -8.143 3.322 1.00 0.00 H new ATOM 0 HB THR A 330 4.356 -10.364 3.274 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.109 -8.259 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.947 -11.127 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.640 -10.914 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.422 -9.689 6.099 1.00 0.00 H new ATOM 696 N LYS A 331 4.126 -6.479 4.748 1.00 0.00 N ATOM 697 CA LYS A 331 3.602 -5.389 5.630 1.00 0.00 C ATOM 698 C LYS A 331 2.212 -5.004 5.104 1.00 0.00 C ATOM 699 O LYS A 331 1.964 -5.063 3.916 1.00 0.00 O ATOM 700 CB LYS A 331 4.572 -4.178 5.569 1.00 0.00 C ATOM 701 CG LYS A 331 4.915 -3.670 6.981 1.00 0.00 C ATOM 702 CD LYS A 331 3.712 -2.932 7.571 1.00 0.00 C ATOM 703 CE LYS A 331 3.998 -2.578 9.032 1.00 0.00 C ATOM 704 NZ LYS A 331 3.945 -3.816 9.859 1.00 0.00 N ATOM 0 H LYS A 331 4.028 -6.301 3.748 1.00 0.00 H new ATOM 0 HA LYS A 331 3.528 -5.712 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.487 -4.467 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.118 -3.374 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.190 -4.507 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.777 -3.004 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.511 -2.026 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.821 -3.556 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.979 -2.110 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 331 3.267 -1.855 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 3.816 -3.560 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 3.149 -4.408 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 4.833 -4.345 9.749 1.00 0.00 H new ATOM 718 N VAL A 332 1.300 -4.631 5.971 1.00 0.00 N ATOM 719 CA VAL A 332 -0.078 -4.265 5.501 1.00 0.00 C ATOM 720 C VAL A 332 -0.549 -2.981 6.187 1.00 0.00 C ATOM 721 O VAL A 332 -0.008 -2.560 7.191 1.00 0.00 O ATOM 722 CB VAL A 332 -1.039 -5.418 5.823 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.261 -5.350 4.900 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.314 -6.750 5.606 1.00 0.00 C ATOM 0 H VAL A 332 1.447 -4.564 6.978 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.060 -4.092 4.425 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.367 -5.338 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.939 -6.171 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.776 -4.401 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.938 -5.430 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.991 -7.574 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.011 -6.823 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.555 -6.803 6.262 1.00 0.00 H new ATOM 734 N PHE A 333 -1.546 -2.343 5.625 1.00 0.00 N ATOM 735 CA PHE A 333 -2.057 -1.065 6.201 1.00 0.00 C ATOM 736 C PHE A 333 -3.584 -1.025 6.106 1.00 0.00 C ATOM 737 O PHE A 333 -4.170 -1.504 5.154 1.00 0.00 O ATOM 738 CB PHE A 333 -1.463 0.100 5.403 1.00 0.00 C ATOM 739 CG PHE A 333 -0.012 -0.197 5.110 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.321 -1.154 4.147 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.999 0.472 5.803 1.00 0.00 C ATOM 742 CE1 PHE A 333 1.661 -1.443 3.878 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.340 0.182 5.535 1.00 0.00 C ATOM 744 CZ PHE A 333 2.672 -0.775 4.573 1.00 0.00 C ATOM 0 H PHE A 333 -2.031 -2.658 4.784 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.768 -0.989 7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -2.014 0.240 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.551 1.028 5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 333 -0.460 -1.671 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.745 1.213 6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 333 1.915 -2.183 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.121 0.699 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 333 3.708 -0.998 4.367 1.00 0.00 H new ATOM 754 N HIS A 334 -4.232 -0.446 7.085 1.00 0.00 N ATOM 755 CA HIS A 334 -5.725 -0.354 7.065 1.00 0.00 C ATOM 756 C HIS A 334 -6.129 1.061 6.627 1.00 0.00 C ATOM 757 O HIS A 334 -7.200 1.276 6.093 1.00 0.00 O ATOM 758 CB HIS A 334 -6.263 -0.647 8.479 1.00 0.00 C ATOM 759 CG HIS A 334 -7.661 -1.205 8.399 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.384 -1.224 7.217 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.476 -1.776 9.346 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.576 -1.790 7.479 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.685 -2.143 8.762 1.00 0.00 N ATOM 0 H HIS A 334 -3.788 -0.030 7.904 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.142 -1.079 6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.609 -1.357 8.985 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.262 0.267 9.073 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.218 -1.918 10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.350 -1.940 6.741 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -10.483 -2.587 9.217 1.00 0.00 H new ATOM 771 N ASP A 335 -5.266 2.024 6.850 1.00 0.00 N ATOM 772 CA ASP A 335 -5.560 3.441 6.455 1.00 0.00 C ATOM 773 C ASP A 335 -4.457 3.937 5.517 1.00 0.00 C ATOM 774 O ASP A 335 -3.339 3.465 5.564 1.00 0.00 O ATOM 775 CB ASP A 335 -5.586 4.320 7.707 1.00 0.00 C ATOM 776 CG ASP A 335 -5.976 5.747 7.320 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.819 5.895 6.450 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.425 6.669 7.899 1.00 0.00 O ATOM 0 H ASP A 335 -4.358 1.887 7.295 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.526 3.490 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -6.297 3.921 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.607 4.317 8.187 1.00 0.00 H new ATOM 783 N LYS A 336 -4.756 4.883 4.667 1.00 0.00 N ATOM 784 CA LYS A 336 -3.714 5.395 3.730 1.00 0.00 C ATOM 785 C LYS A 336 -2.606 6.100 4.513 1.00 0.00 C ATOM 786 O LYS A 336 -1.476 6.162 4.078 1.00 0.00 O ATOM 787 CB LYS A 336 -4.341 6.378 2.731 1.00 0.00 C ATOM 788 CG LYS A 336 -5.036 7.529 3.475 1.00 0.00 C ATOM 789 CD LYS A 336 -5.428 8.625 2.476 1.00 0.00 C ATOM 790 CE LYS A 336 -5.799 9.902 3.233 1.00 0.00 C ATOM 791 NZ LYS A 336 -6.907 9.613 4.187 1.00 0.00 N ATOM 0 H LYS A 336 -5.673 5.322 4.581 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.289 4.552 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.570 6.776 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.062 5.856 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.922 7.159 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.371 7.937 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -4.601 8.822 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.270 8.293 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -4.931 10.282 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -6.103 10.678 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -6.978 10.384 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -7.803 9.534 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -6.715 8.719 4.682 1.00 0.00 H new ATOM 805 N THR A 337 -2.924 6.634 5.658 1.00 0.00 N ATOM 806 CA THR A 337 -1.894 7.350 6.464 1.00 0.00 C ATOM 807 C THR A 337 -0.789 6.384 6.876 1.00 0.00 C ATOM 808 O THR A 337 0.368 6.579 6.555 1.00 0.00 O ATOM 809 CB THR A 337 -2.547 7.922 7.722 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.680 8.696 7.355 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.542 8.803 8.465 1.00 0.00 C ATOM 0 H THR A 337 -3.855 6.606 6.073 1.00 0.00 H new ATOM 0 HA THR A 337 -1.467 8.153 5.864 1.00 0.00 H new ATOM 0 HB THR A 337 -2.860 7.106 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.493 8.160 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 337 -2.009 9.210 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.674 8.207 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 337 -1.226 9.621 7.817 1.00 0.00 H new ATOM 819 N LYS A 338 -1.129 5.348 7.592 1.00 0.00 N ATOM 820 CA LYS A 338 -0.100 4.371 8.032 1.00 0.00 C ATOM 821 C LYS A 338 0.825 4.033 6.858 1.00 0.00 C ATOM 822 O LYS A 338 2.016 3.856 7.023 1.00 0.00 O ATOM 823 CB LYS A 338 -0.817 3.112 8.528 1.00 0.00 C ATOM 824 CG LYS A 338 0.092 2.293 9.452 1.00 0.00 C ATOM 825 CD LYS A 338 -0.772 1.318 10.251 1.00 0.00 C ATOM 826 CE LYS A 338 0.114 0.462 11.159 1.00 0.00 C ATOM 827 NZ LYS A 338 0.804 -0.577 10.343 1.00 0.00 N ATOM 0 H LYS A 338 -2.081 5.137 7.892 1.00 0.00 H new ATOM 0 HA LYS A 338 0.506 4.790 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.726 3.392 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.121 2.503 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.834 1.749 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.639 2.953 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.498 1.868 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.337 0.679 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 338 0.848 1.089 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -0.490 -0.010 11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 1.298 -1.241 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 0.103 -1.094 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 1.493 -0.121 9.711 1.00 0.00 H new ATOM 841 N PHE A 339 0.288 3.958 5.670 1.00 0.00 N ATOM 842 CA PHE A 339 1.141 3.649 4.490 1.00 0.00 C ATOM 843 C PHE A 339 2.148 4.780 4.279 1.00 0.00 C ATOM 844 O PHE A 339 3.339 4.590 4.408 1.00 0.00 O ATOM 845 CB PHE A 339 0.271 3.504 3.239 1.00 0.00 C ATOM 846 CG PHE A 339 1.115 2.973 2.102 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.431 1.611 2.043 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.582 3.842 1.109 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.212 1.117 0.992 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.364 3.349 0.057 1.00 0.00 C ATOM 851 CZ PHE A 339 2.680 1.983 -0.002 1.00 0.00 C ATOM 0 H PHE A 339 -0.702 4.097 5.467 1.00 0.00 H new ATOM 0 HA PHE A 339 1.671 2.713 4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.560 2.827 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.160 4.468 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.072 0.940 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.339 4.893 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.454 0.065 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.724 4.020 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.283 1.601 -0.813 1.00 0.00 H new ATOM 861 N THR A 340 1.685 5.956 3.945 1.00 0.00 N ATOM 862 CA THR A 340 2.642 7.086 3.723 1.00 0.00 C ATOM 863 C THR A 340 3.643 7.142 4.881 1.00 0.00 C ATOM 864 O THR A 340 4.841 7.116 4.683 1.00 0.00 O ATOM 865 CB THR A 340 1.887 8.427 3.646 1.00 0.00 C ATOM 866 OG1 THR A 340 1.806 8.994 4.947 1.00 0.00 O ATOM 867 CG2 THR A 340 0.468 8.225 3.098 1.00 0.00 C ATOM 0 H THR A 340 0.699 6.184 3.817 1.00 0.00 H new ATOM 0 HA THR A 340 3.166 6.918 2.782 1.00 0.00 H new ATOM 0 HB THR A 340 2.430 9.093 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 340 1.328 9.848 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 340 -0.045 9.186 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 340 0.522 7.795 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 340 -0.083 7.550 3.753 1.00 0.00 H new ATOM 875 N GLN A 341 3.156 7.217 6.087 1.00 0.00 N ATOM 876 CA GLN A 341 4.069 7.273 7.264 1.00 0.00 C ATOM 877 C GLN A 341 5.117 6.169 7.153 1.00 0.00 C ATOM 878 O GLN A 341 6.300 6.416 7.277 1.00 0.00 O ATOM 879 CB GLN A 341 3.255 7.088 8.546 1.00 0.00 C ATOM 880 CG GLN A 341 2.203 8.195 8.640 1.00 0.00 C ATOM 881 CD GLN A 341 2.892 9.527 8.943 1.00 0.00 C ATOM 882 OE1 GLN A 341 3.316 10.224 8.042 1.00 0.00 O ATOM 883 NE2 GLN A 341 3.025 9.912 10.183 1.00 0.00 N ATOM 0 H GLN A 341 2.161 7.242 6.310 1.00 0.00 H new ATOM 0 HA GLN A 341 4.571 8.240 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.772 6.111 8.546 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.912 7.120 9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.648 8.265 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.481 7.960 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 341 2.669 9.327 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 341 3.485 10.797 10.396 1.00 0.00 H new ATOM 892 N TYR A 342 4.703 4.956 6.911 1.00 0.00 N ATOM 893 CA TYR A 342 5.698 3.856 6.788 1.00 0.00 C ATOM 894 C TYR A 342 6.762 4.269 5.766 1.00 0.00 C ATOM 895 O TYR A 342 7.940 4.051 5.958 1.00 0.00 O ATOM 896 CB TYR A 342 4.988 2.574 6.349 1.00 0.00 C ATOM 897 CG TYR A 342 5.999 1.551 5.881 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.987 1.097 6.759 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.945 1.057 4.572 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.924 0.149 6.331 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.880 0.110 4.143 1.00 0.00 C ATOM 902 CZ TYR A 342 7.870 -0.346 5.023 1.00 0.00 C ATOM 903 OH TYR A 342 8.792 -1.281 4.599 1.00 0.00 O ATOM 0 H TYR A 342 3.728 4.681 6.794 1.00 0.00 H new ATOM 0 HA TYR A 342 6.180 3.668 7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.407 2.169 7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.285 2.796 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 342 7.028 1.478 7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.181 1.407 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.688 -0.200 7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.839 -0.270 3.133 1.00 0.00 H new ATOM 0 HH TYR A 342 8.451 -2.182 4.779 1.00 0.00 H new ATOM 913 N LEU A 343 6.358 4.880 4.689 1.00 0.00 N ATOM 914 CA LEU A 343 7.360 5.326 3.681 1.00 0.00 C ATOM 915 C LEU A 343 8.087 6.549 4.230 1.00 0.00 C ATOM 916 O LEU A 343 9.296 6.674 4.107 1.00 0.00 O ATOM 917 CB LEU A 343 6.672 5.695 2.365 1.00 0.00 C ATOM 918 CG LEU A 343 5.854 4.512 1.825 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.402 4.834 0.404 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.712 3.241 1.793 1.00 0.00 C ATOM 0 H LEU A 343 5.386 5.089 4.463 1.00 0.00 H new ATOM 0 HA LEU A 343 8.063 4.516 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.019 6.554 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.420 5.991 1.629 1.00 0.00 H new ATOM 0 HG LEU A 343 4.994 4.347 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.820 4.001 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.787 5.734 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.275 4.997 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.119 2.411 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.575 3.401 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.053 3.006 2.802 1.00 0.00 H new ATOM 932 N SER A 344 7.363 7.442 4.854 1.00 0.00 N ATOM 933 CA SER A 344 8.007 8.650 5.437 1.00 0.00 C ATOM 934 C SER A 344 9.146 8.202 6.346 1.00 0.00 C ATOM 935 O SER A 344 9.934 8.999 6.816 1.00 0.00 O ATOM 936 CB SER A 344 6.983 9.440 6.256 1.00 0.00 C ATOM 937 OG SER A 344 7.496 10.740 6.512 1.00 0.00 O ATOM 0 H SER A 344 6.353 7.384 4.984 1.00 0.00 H new ATOM 0 HA SER A 344 8.390 9.286 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.040 9.508 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.775 8.926 7.195 1.00 0.00 H new ATOM 0 HG SER A 344 8.440 10.675 6.768 1.00 0.00 H new ATOM 943 N THR A 345 9.236 6.918 6.595 1.00 0.00 N ATOM 944 CA THR A 345 10.318 6.382 7.469 1.00 0.00 C ATOM 945 C THR A 345 10.932 5.147 6.796 1.00 0.00 C ATOM 946 O THR A 345 11.686 4.408 7.398 1.00 0.00 O ATOM 947 CB THR A 345 9.738 6.032 8.848 1.00 0.00 C ATOM 948 OG1 THR A 345 10.798 5.739 9.746 1.00 0.00 O ATOM 949 CG2 THR A 345 8.804 4.827 8.752 1.00 0.00 C ATOM 0 H THR A 345 8.598 6.214 6.225 1.00 0.00 H new ATOM 0 HA THR A 345 11.099 7.129 7.610 1.00 0.00 H new ATOM 0 HB THR A 345 9.167 6.886 9.213 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.471 5.192 9.290 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.405 4.597 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.983 5.056 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.357 3.967 8.375 1.00 0.00 H new ATOM 957 N ASN A 346 10.644 4.946 5.525 1.00 0.00 N ATOM 958 CA ASN A 346 11.242 3.793 4.776 1.00 0.00 C ATOM 959 C ASN A 346 11.631 4.290 3.378 1.00 0.00 C ATOM 960 O ASN A 346 11.035 3.915 2.387 1.00 0.00 O ATOM 961 CB ASN A 346 10.234 2.638 4.655 1.00 0.00 C ATOM 962 CG ASN A 346 10.978 1.336 4.348 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.630 0.776 5.207 1.00 0.00 O ATOM 964 ND2 ASN A 346 10.906 0.829 3.146 1.00 0.00 N ATOM 0 H ASN A 346 10.018 5.535 4.976 1.00 0.00 H new ATOM 0 HA ASN A 346 12.115 3.420 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 346 9.670 2.536 5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.514 2.852 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 346 11.397 -0.038 2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 346 10.358 1.300 2.426 1.00 0.00 H new ATOM 971 N PRO A 347 12.621 5.144 3.311 1.00 0.00 N ATOM 972 CA PRO A 347 13.111 5.731 2.027 1.00 0.00 C ATOM 973 C PRO A 347 13.317 4.677 0.936 1.00 0.00 C ATOM 974 O PRO A 347 13.178 4.955 -0.238 1.00 0.00 O ATOM 975 CB PRO A 347 14.448 6.380 2.413 1.00 0.00 C ATOM 976 CG PRO A 347 14.308 6.716 3.863 1.00 0.00 C ATOM 977 CD PRO A 347 13.394 5.640 4.461 1.00 0.00 C ATOM 0 HA PRO A 347 12.391 6.431 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.281 5.698 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.641 7.272 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.279 6.721 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.878 7.709 3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 347 13.971 4.841 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.742 6.054 5.231 1.00 0.00 H new ATOM 985 N ALA A 348 13.655 3.472 1.311 1.00 0.00 N ATOM 986 CA ALA A 348 13.874 2.406 0.291 1.00 0.00 C ATOM 987 C ALA A 348 12.728 2.429 -0.722 1.00 0.00 C ATOM 988 O ALA A 348 12.938 2.574 -1.911 1.00 0.00 O ATOM 989 CB ALA A 348 13.919 1.042 0.981 1.00 0.00 C ATOM 0 H ALA A 348 13.789 3.180 2.279 1.00 0.00 H new ATOM 0 HA ALA A 348 14.818 2.583 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.079 0.263 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 348 14.735 1.026 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 348 12.975 0.863 1.496 1.00 0.00 H new ATOM 995 N LEU A 349 11.516 2.297 -0.259 1.00 0.00 N ATOM 996 CA LEU A 349 10.362 2.321 -1.200 1.00 0.00 C ATOM 997 C LEU A 349 10.097 3.771 -1.635 1.00 0.00 C ATOM 998 O LEU A 349 10.028 4.074 -2.809 1.00 0.00 O ATOM 999 CB LEU A 349 9.113 1.745 -0.508 1.00 0.00 C ATOM 1000 CG LEU A 349 9.065 0.210 -0.635 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.871 -0.322 0.169 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.923 -0.219 -2.113 1.00 0.00 C ATOM 0 H LEU A 349 11.276 2.174 0.725 1.00 0.00 H new ATOM 0 HA LEU A 349 10.591 1.714 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.115 2.026 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.216 2.178 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 349 9.996 -0.203 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.830 -1.408 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 349 7.985 -0.044 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 349 6.949 0.107 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.892 -1.307 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.003 0.195 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.775 0.152 -2.683 1.00 0.00 H new ATOM 1014 N GLN A 350 9.940 4.665 -0.694 1.00 0.00 N ATOM 1015 CA GLN A 350 9.670 6.087 -1.042 1.00 0.00 C ATOM 1016 C GLN A 350 10.632 6.548 -2.147 1.00 0.00 C ATOM 1017 O GLN A 350 10.323 7.433 -2.920 1.00 0.00 O ATOM 1018 CB GLN A 350 9.856 6.953 0.224 1.00 0.00 C ATOM 1019 CG GLN A 350 8.824 8.086 0.259 1.00 0.00 C ATOM 1020 CD GLN A 350 9.103 9.069 -0.879 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.417 9.067 -1.882 1.00 0.00 O ATOM 1022 NE2 GLN A 350 10.088 9.919 -0.765 1.00 0.00 N ATOM 0 H GLN A 350 9.988 4.468 0.306 1.00 0.00 H new ATOM 0 HA GLN A 350 8.649 6.191 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 350 9.753 6.332 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.863 7.370 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 350 7.818 7.678 0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 350 8.868 8.602 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 350 10.665 9.922 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 350 10.281 10.580 -1.517 1.00 0.00 H new ATOM 1031 N ARG A 351 11.793 5.961 -2.222 1.00 0.00 N ATOM 1032 CA ARG A 351 12.767 6.367 -3.263 1.00 0.00 C ATOM 1033 C ARG A 351 12.385 5.711 -4.597 1.00 0.00 C ATOM 1034 O ARG A 351 12.526 6.301 -5.649 1.00 0.00 O ATOM 1035 CB ARG A 351 14.165 5.913 -2.820 1.00 0.00 C ATOM 1036 CG ARG A 351 15.122 5.924 -4.010 1.00 0.00 C ATOM 1037 CD ARG A 351 16.569 5.867 -3.515 1.00 0.00 C ATOM 1038 NE ARG A 351 17.475 5.564 -4.659 1.00 0.00 N ATOM 1039 CZ ARG A 351 18.761 5.760 -4.544 1.00 0.00 C ATOM 1040 NH1 ARG A 351 19.253 6.221 -3.426 1.00 0.00 N ATOM 1041 NH2 ARG A 351 19.553 5.495 -5.547 1.00 0.00 N ATOM 0 H ARG A 351 12.107 5.214 -1.602 1.00 0.00 H new ATOM 0 HA ARG A 351 12.762 7.449 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.539 6.572 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.113 4.911 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.917 5.074 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.967 6.824 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.846 6.818 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.671 5.103 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 351 17.090 5.203 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.633 6.428 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 351 20.257 6.374 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 351 19.167 5.135 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 351 20.558 5.648 -5.458 1.00 0.00 H new ATOM 1055 N ILE A 352 11.915 4.492 -4.563 1.00 0.00 N ATOM 1056 CA ILE A 352 11.541 3.801 -5.831 1.00 0.00 C ATOM 1057 C ILE A 352 10.118 4.191 -6.245 1.00 0.00 C ATOM 1058 O ILE A 352 9.894 4.684 -7.332 1.00 0.00 O ATOM 1059 CB ILE A 352 11.615 2.289 -5.624 1.00 0.00 C ATOM 1060 CG1 ILE A 352 13.036 1.907 -5.201 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.267 1.574 -6.931 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.058 0.451 -4.738 1.00 0.00 C ATOM 0 H ILE A 352 11.774 3.946 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 352 12.233 4.100 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 352 10.907 1.993 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.724 2.045 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.375 2.560 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.320 0.496 -6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 352 10.258 1.848 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.975 1.868 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.070 0.180 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.383 0.328 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.737 -0.195 -5.555 1.00 0.00 H new ATOM 1074 N ILE A 353 9.155 3.970 -5.393 1.00 0.00 N ATOM 1075 CA ILE A 353 7.752 4.323 -5.746 1.00 0.00 C ATOM 1076 C ILE A 353 7.696 5.782 -6.204 1.00 0.00 C ATOM 1077 O ILE A 353 7.562 6.068 -7.378 1.00 0.00 O ATOM 1078 CB ILE A 353 6.855 4.129 -4.512 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.218 5.166 -3.413 1.00 0.00 C ATOM 1080 CG2 ILE A 353 7.059 2.708 -3.974 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.237 6.348 -3.437 1.00 0.00 C ATOM 0 H ILE A 353 9.280 3.560 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 353 7.401 3.680 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 353 5.812 4.276 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.196 4.688 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.235 5.527 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.428 2.557 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.790 1.985 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 353 8.104 2.570 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.509 7.062 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.280 6.837 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.225 5.985 -3.258 1.00 0.00 H new TER 1093 ILE A 353