USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 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 310 HIS : no HD1:sc= -6.94! C(o=-20!,f=-32!) USER MOD Set 1.2: A 312 CYS SG : rot -143:sc= -12.9! USER MOD Set 2.1: A 290 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 294 MET CE :methyl 142:sc= 0 (180deg=-0.285) USER MOD Single : A 293 THR OG1 : rot 175:sc= 1.39 USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 THR OG1 : rot 52:sc= 0.355 USER MOD Single : A 305 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 THR OG1 : rot 78:sc= 1 USER MOD Single : A 311 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.212) USER MOD Single : A 313 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.15) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -148:sc= -0.105 (180deg=-0.798) USER MOD Single : A 323 SER OG : rot 140:sc= -2.85! USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ 150:sc= -0.146 (180deg=-0.829) USER MOD Single : A 334 HIS : no HE2:sc= -0.0432 K(o=-0.043,f=-2.7!) USER MOD Single : A 336 LYS NZ :NH3+ 161:sc= -0.0802 (180deg=-0.667) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.667) USER MOD Single : A 340 THR OG1 : rot 80:sc= 0.505 USER MOD Single : A 341 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot -63:sc= 1.25 USER MOD Single : A 345 THR OG1 : rot -38:sc= 0.6 USER MOD Single : A 346 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.074) USER MOD Single : A 350 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.147 3.302 3.316 1.00 0.00 N ATOM 2 CA PHE A 289 -17.958 2.645 2.699 1.00 0.00 C ATOM 3 C PHE A 289 -17.599 3.386 1.409 1.00 0.00 C ATOM 4 O PHE A 289 -16.449 3.519 1.042 1.00 0.00 O ATOM 5 CB PHE A 289 -18.299 1.178 2.365 1.00 0.00 C ATOM 6 CG PHE A 289 -18.021 0.285 3.558 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.347 0.710 4.854 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.436 -0.973 3.363 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.086 -0.121 5.950 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.175 -1.803 4.459 1.00 0.00 C ATOM 11 CZ PHE A 289 -17.500 -1.378 5.753 1.00 0.00 C ATOM 0 HA PHE A 289 -17.117 2.673 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.348 1.098 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.710 0.847 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -18.800 1.679 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.186 -1.303 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.337 0.207 6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.723 -2.772 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 289 -17.299 -2.019 6.599 1.00 0.00 H new ATOM 21 N SER A 290 -18.592 3.851 0.716 1.00 0.00 N ATOM 22 CA SER A 290 -18.350 4.566 -0.563 1.00 0.00 C ATOM 23 C SER A 290 -17.302 5.676 -0.385 1.00 0.00 C ATOM 24 O SER A 290 -16.370 5.776 -1.158 1.00 0.00 O ATOM 25 CB SER A 290 -19.682 5.137 -1.086 1.00 0.00 C ATOM 26 OG SER A 290 -20.003 4.508 -2.318 1.00 0.00 O ATOM 0 H SER A 290 -19.573 3.766 0.983 1.00 0.00 H new ATOM 0 HA SER A 290 -17.953 3.863 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.476 4.967 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.601 6.215 -1.224 1.00 0.00 H new ATOM 0 HG SER A 290 -20.851 4.865 -2.656 1.00 0.00 H new ATOM 32 N PRO A 291 -17.457 6.518 0.601 1.00 0.00 N ATOM 33 CA PRO A 291 -16.515 7.641 0.842 1.00 0.00 C ATOM 34 C PRO A 291 -15.299 7.260 1.706 1.00 0.00 C ATOM 35 O PRO A 291 -14.185 7.650 1.421 1.00 0.00 O ATOM 36 CB PRO A 291 -17.400 8.660 1.563 1.00 0.00 C ATOM 37 CG PRO A 291 -18.350 7.827 2.365 1.00 0.00 C ATOM 38 CD PRO A 291 -18.544 6.507 1.593 1.00 0.00 C ATOM 0 HA PRO A 291 -16.065 8.000 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -16.810 9.317 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -17.930 9.297 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -17.951 7.637 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.302 8.342 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.474 5.643 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.522 6.464 1.114 1.00 0.00 H new ATOM 46 N GLU A 292 -15.496 6.531 2.771 1.00 0.00 N ATOM 47 CA GLU A 292 -14.333 6.173 3.650 1.00 0.00 C ATOM 48 C GLU A 292 -13.638 4.885 3.183 1.00 0.00 C ATOM 49 O GLU A 292 -12.442 4.861 2.945 1.00 0.00 O ATOM 50 CB GLU A 292 -14.820 6.005 5.096 1.00 0.00 C ATOM 51 CG GLU A 292 -15.884 4.901 5.181 1.00 0.00 C ATOM 52 CD GLU A 292 -16.719 5.082 6.452 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.162 4.930 7.528 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.898 5.367 6.328 1.00 0.00 O ATOM 0 H GLU A 292 -16.400 6.168 3.073 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.604 6.981 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.978 5.757 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.234 6.946 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.529 4.937 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -15.406 3.922 5.186 1.00 0.00 H new ATOM 61 N THR A 293 -14.364 3.811 3.086 1.00 0.00 N ATOM 62 CA THR A 293 -13.746 2.513 2.684 1.00 0.00 C ATOM 63 C THR A 293 -13.228 2.564 1.258 1.00 0.00 C ATOM 64 O THR A 293 -12.139 2.110 0.968 1.00 0.00 O ATOM 65 CB THR A 293 -14.797 1.408 2.769 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.319 1.343 4.088 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.173 0.064 2.396 1.00 0.00 C ATOM 0 H THR A 293 -15.367 3.772 3.268 1.00 0.00 H new ATOM 0 HA THR A 293 -12.912 2.316 3.358 1.00 0.00 H new ATOM 0 HB THR A 293 -15.605 1.632 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.048 0.689 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.929 -0.718 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.785 0.113 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.358 -0.162 3.084 1.00 0.00 H new ATOM 75 N MET A 294 -14.007 3.060 0.349 1.00 0.00 N ATOM 76 CA MET A 294 -13.545 3.063 -1.057 1.00 0.00 C ATOM 77 C MET A 294 -12.313 3.962 -1.199 1.00 0.00 C ATOM 78 O MET A 294 -11.419 3.670 -1.961 1.00 0.00 O ATOM 79 CB MET A 294 -14.676 3.533 -1.981 1.00 0.00 C ATOM 80 CG MET A 294 -14.560 2.807 -3.327 1.00 0.00 C ATOM 81 SD MET A 294 -15.854 3.394 -4.448 1.00 0.00 S ATOM 82 CE MET A 294 -17.176 2.292 -3.884 1.00 0.00 C ATOM 0 H MET A 294 -14.931 3.459 0.514 1.00 0.00 H new ATOM 0 HA MET A 294 -13.266 2.050 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.644 3.327 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.617 4.611 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.578 2.986 -3.764 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.653 1.731 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.123 2.832 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.248 1.436 -4.555 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.954 1.944 -2.875 1.00 0.00 H new ATOM 92 N LYS A 295 -12.242 5.041 -0.467 1.00 0.00 N ATOM 93 CA LYS A 295 -11.044 5.914 -0.576 1.00 0.00 C ATOM 94 C LYS A 295 -9.810 5.048 -0.327 1.00 0.00 C ATOM 95 O LYS A 295 -8.825 5.146 -1.030 1.00 0.00 O ATOM 96 CB LYS A 295 -11.151 7.058 0.458 1.00 0.00 C ATOM 97 CG LYS A 295 -11.555 8.375 -0.236 1.00 0.00 C ATOM 98 CD LYS A 295 -12.919 8.229 -0.978 1.00 0.00 C ATOM 99 CE LYS A 295 -12.782 8.662 -2.447 1.00 0.00 C ATOM 100 NZ LYS A 295 -14.105 8.541 -3.126 1.00 0.00 N ATOM 0 H LYS A 295 -12.954 5.351 0.194 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.970 6.366 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.887 6.800 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.196 7.186 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.625 9.172 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -10.781 8.666 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.258 7.194 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -13.676 8.837 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -12.425 9.691 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -12.043 8.041 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -14.013 8.834 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -14.428 7.553 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -14.798 9.152 -2.648 1.00 0.00 H new ATOM 114 N ALA A 296 -9.864 4.170 0.637 1.00 0.00 N ATOM 115 CA ALA A 296 -8.692 3.282 0.867 1.00 0.00 C ATOM 116 C ALA A 296 -8.553 2.377 -0.358 1.00 0.00 C ATOM 117 O ALA A 296 -7.477 2.177 -0.886 1.00 0.00 O ATOM 118 CB ALA A 296 -8.914 2.432 2.117 1.00 0.00 C ATOM 0 H ALA A 296 -10.655 4.031 1.265 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.789 3.874 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.050 1.786 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.044 3.083 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.806 1.819 1.987 1.00 0.00 H new ATOM 124 N ARG A 297 -9.655 1.852 -0.825 1.00 0.00 N ATOM 125 CA ARG A 297 -9.633 0.979 -2.031 1.00 0.00 C ATOM 126 C ARG A 297 -9.003 1.758 -3.186 1.00 0.00 C ATOM 127 O ARG A 297 -8.226 1.234 -3.959 1.00 0.00 O ATOM 128 CB ARG A 297 -11.072 0.603 -2.390 1.00 0.00 C ATOM 129 CG ARG A 297 -11.084 -0.501 -3.451 1.00 0.00 C ATOM 130 CD ARG A 297 -12.493 -1.091 -3.559 1.00 0.00 C ATOM 131 NE ARG A 297 -12.444 -2.367 -4.350 1.00 0.00 N ATOM 132 CZ ARG A 297 -11.952 -2.405 -5.561 1.00 0.00 C ATOM 133 NH1 ARG A 297 -11.673 -1.302 -6.198 1.00 0.00 N ATOM 134 NH2 ARG A 297 -11.791 -3.555 -6.159 1.00 0.00 N ATOM 0 H ARG A 297 -10.579 1.994 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.055 0.075 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.600 0.265 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.602 1.480 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.773 -0.097 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.371 -1.282 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.895 -1.283 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.161 -0.378 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.803 -3.225 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -11.838 -0.400 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -11.289 -1.341 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.049 -4.419 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -11.408 -3.589 -7.104 1.00 0.00 H new ATOM 148 N ARG A 298 -9.323 3.018 -3.295 1.00 0.00 N ATOM 149 CA ARG A 298 -8.740 3.847 -4.381 1.00 0.00 C ATOM 150 C ARG A 298 -7.258 4.039 -4.081 1.00 0.00 C ATOM 151 O ARG A 298 -6.401 3.700 -4.873 1.00 0.00 O ATOM 152 CB ARG A 298 -9.455 5.212 -4.425 1.00 0.00 C ATOM 153 CG ARG A 298 -9.380 5.806 -5.844 1.00 0.00 C ATOM 154 CD ARG A 298 -10.513 5.245 -6.716 1.00 0.00 C ATOM 155 NE ARG A 298 -11.751 6.042 -6.491 1.00 0.00 N ATOM 156 CZ ARG A 298 -12.740 5.970 -7.339 1.00 0.00 C ATOM 157 NH1 ARG A 298 -12.638 5.221 -8.404 1.00 0.00 N ATOM 158 NH2 ARG A 298 -13.828 6.659 -7.129 1.00 0.00 N ATOM 0 H ARG A 298 -9.967 3.509 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.865 3.360 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.497 5.095 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.994 5.895 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.453 6.892 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.415 5.571 -6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -10.230 5.282 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -10.692 4.198 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 298 -11.826 6.645 -5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.784 4.690 -8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -13.413 5.167 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -13.904 7.253 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -14.602 6.604 -7.791 1.00 0.00 H new ATOM 172 N ALA A 299 -6.951 4.562 -2.926 1.00 0.00 N ATOM 173 CA ALA A 299 -5.522 4.751 -2.554 1.00 0.00 C ATOM 174 C ALA A 299 -4.800 3.418 -2.739 1.00 0.00 C ATOM 175 O ALA A 299 -3.620 3.362 -3.021 1.00 0.00 O ATOM 176 CB ALA A 299 -5.430 5.179 -1.089 1.00 0.00 C ATOM 0 H ALA A 299 -7.627 4.866 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.067 5.518 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.384 5.318 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.969 6.116 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.871 4.409 -0.457 1.00 0.00 H new ATOM 182 N TRP A 300 -5.520 2.342 -2.590 1.00 0.00 N ATOM 183 CA TRP A 300 -4.919 0.993 -2.760 1.00 0.00 C ATOM 184 C TRP A 300 -4.800 0.680 -4.252 1.00 0.00 C ATOM 185 O TRP A 300 -4.076 -0.211 -4.649 1.00 0.00 O ATOM 186 CB TRP A 300 -5.817 -0.039 -2.097 1.00 0.00 C ATOM 187 CG TRP A 300 -5.832 0.091 -0.587 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.665 -0.633 0.194 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.039 0.933 0.346 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.445 -0.324 1.516 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.461 0.625 1.669 1.00 0.00 C ATOM 192 CE3 TRP A 300 -4.010 1.908 0.210 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.903 1.241 2.787 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.453 2.523 1.345 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.896 2.188 2.627 1.00 0.00 C ATOM 0 H TRP A 300 -6.512 2.341 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.930 0.967 -2.302 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.832 0.069 -2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.479 -1.039 -2.369 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.393 -1.346 -0.166 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.952 -0.749 2.292 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.654 2.177 -0.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.251 0.984 3.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.675 3.262 1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.458 2.663 3.492 1.00 0.00 H new ATOM 206 N THR A 301 -5.485 1.414 -5.084 1.00 0.00 N ATOM 207 CA THR A 301 -5.388 1.164 -6.551 1.00 0.00 C ATOM 208 C THR A 301 -4.146 1.878 -7.099 1.00 0.00 C ATOM 209 O THR A 301 -3.344 1.305 -7.808 1.00 0.00 O ATOM 210 CB THR A 301 -6.634 1.715 -7.247 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.787 1.406 -6.473 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.766 1.089 -8.638 1.00 0.00 C ATOM 0 H THR A 301 -6.107 2.175 -4.813 1.00 0.00 H new ATOM 0 HA THR A 301 -5.313 0.092 -6.736 1.00 0.00 H new ATOM 0 HB THR A 301 -6.544 2.797 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.647 1.695 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.654 1.483 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.884 1.331 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 301 -6.854 0.007 -8.543 1.00 0.00 H new ATOM 220 N ASP A 302 -3.995 3.137 -6.776 1.00 0.00 N ATOM 221 CA ASP A 302 -2.820 3.908 -7.274 1.00 0.00 C ATOM 222 C ASP A 302 -1.525 3.202 -6.868 1.00 0.00 C ATOM 223 O ASP A 302 -0.579 3.139 -7.627 1.00 0.00 O ATOM 224 CB ASP A 302 -2.844 5.318 -6.675 1.00 0.00 C ATOM 225 CG ASP A 302 -1.832 6.204 -7.406 1.00 0.00 C ATOM 226 OD1 ASP A 302 -2.134 6.633 -8.507 1.00 0.00 O ATOM 227 OD2 ASP A 302 -0.771 6.438 -6.850 1.00 0.00 O ATOM 0 H ASP A 302 -4.639 3.665 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.867 3.972 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.844 5.744 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.605 5.277 -5.612 1.00 0.00 H new ATOM 232 N VAL A 303 -1.468 2.673 -5.676 1.00 0.00 N ATOM 233 CA VAL A 303 -0.228 1.983 -5.239 1.00 0.00 C ATOM 234 C VAL A 303 -0.138 0.608 -5.911 1.00 0.00 C ATOM 235 O VAL A 303 0.935 0.100 -6.162 1.00 0.00 O ATOM 236 CB VAL A 303 -0.246 1.816 -3.719 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.342 3.194 -3.059 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.446 0.964 -3.314 1.00 0.00 C ATOM 0 H VAL A 303 -2.224 2.690 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 303 0.639 2.578 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 303 0.670 1.322 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.355 3.078 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.518 3.797 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.258 3.689 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.459 0.845 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.365 1.454 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.372 -0.016 -3.786 1.00 0.00 H new ATOM 248 N ILE A 304 -1.254 0.000 -6.213 1.00 0.00 N ATOM 249 CA ILE A 304 -1.208 -1.339 -6.870 1.00 0.00 C ATOM 250 C ILE A 304 -0.394 -1.226 -8.170 1.00 0.00 C ATOM 251 O ILE A 304 0.409 -2.079 -8.484 1.00 0.00 O ATOM 252 CB ILE A 304 -2.661 -1.814 -7.145 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.127 -2.750 -6.017 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.765 -2.559 -8.484 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.640 -2.963 -6.117 1.00 0.00 C ATOM 0 H ILE A 304 -2.188 0.369 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.725 -2.074 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.296 -0.929 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.610 -3.707 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.873 -2.322 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.795 -2.877 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.460 -1.896 -9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.114 -3.433 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.968 -3.627 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.149 -2.004 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.881 -3.411 -7.081 1.00 0.00 H new ATOM 267 N GLN A 305 -0.593 -0.186 -8.927 1.00 0.00 N ATOM 268 CA GLN A 305 0.178 -0.042 -10.194 1.00 0.00 C ATOM 269 C GLN A 305 1.604 0.405 -9.872 1.00 0.00 C ATOM 270 O GLN A 305 2.539 0.084 -10.577 1.00 0.00 O ATOM 271 CB GLN A 305 -0.497 0.994 -11.097 1.00 0.00 C ATOM 272 CG GLN A 305 -0.768 2.273 -10.305 1.00 0.00 C ATOM 273 CD GLN A 305 -1.352 3.333 -11.239 1.00 0.00 C ATOM 274 OE1 GLN A 305 -2.545 3.372 -11.462 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.554 4.201 -11.798 1.00 0.00 N ATOM 0 H GLN A 305 -1.251 0.567 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 305 0.206 -1.001 -10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.140 1.214 -11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.432 0.594 -11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.462 2.069 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.155 2.638 -9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.448 4.168 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -0.932 4.913 -12.423 1.00 0.00 H new ATOM 284 N THR A 306 1.779 1.145 -8.811 1.00 0.00 N ATOM 285 CA THR A 306 3.147 1.615 -8.445 1.00 0.00 C ATOM 286 C THR A 306 3.953 0.458 -7.854 1.00 0.00 C ATOM 287 O THR A 306 4.997 0.103 -8.351 1.00 0.00 O ATOM 288 CB THR A 306 3.047 2.731 -7.410 1.00 0.00 C ATOM 289 OG1 THR A 306 2.168 3.742 -7.883 1.00 0.00 O ATOM 290 CG2 THR A 306 4.432 3.326 -7.169 1.00 0.00 C ATOM 0 H THR A 306 1.034 1.445 -8.182 1.00 0.00 H new ATOM 0 HA THR A 306 3.644 1.987 -9.341 1.00 0.00 H new ATOM 0 HB THR A 306 2.659 2.326 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.240 3.453 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.362 4.124 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.103 2.549 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.822 3.731 -8.103 1.00 0.00 H new ATOM 298 N LEU A 307 3.477 -0.135 -6.793 1.00 0.00 N ATOM 299 CA LEU A 307 4.222 -1.274 -6.177 1.00 0.00 C ATOM 300 C LEU A 307 4.647 -2.243 -7.288 1.00 0.00 C ATOM 301 O LEU A 307 5.816 -2.433 -7.557 1.00 0.00 O ATOM 302 CB LEU A 307 3.292 -2.010 -5.193 1.00 0.00 C ATOM 303 CG LEU A 307 3.343 -1.397 -3.774 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.612 -1.846 -3.037 1.00 0.00 C ATOM 305 CD2 LEU A 307 3.310 0.140 -3.845 1.00 0.00 C ATOM 0 H LEU A 307 2.606 0.118 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 307 5.100 -0.905 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.269 -1.974 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.576 -3.061 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 307 2.468 -1.748 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.630 -1.404 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.618 -2.933 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.491 -1.520 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.347 0.552 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 307 4.169 0.496 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 307 2.391 0.462 -4.335 1.00 0.00 H new ATOM 317 N ARG A 308 3.691 -2.852 -7.927 1.00 0.00 N ATOM 318 CA ARG A 308 3.996 -3.817 -9.017 1.00 0.00 C ATOM 319 C ARG A 308 4.995 -3.218 -10.015 1.00 0.00 C ATOM 320 O ARG A 308 5.476 -3.898 -10.897 1.00 0.00 O ATOM 321 CB ARG A 308 2.694 -4.168 -9.745 1.00 0.00 C ATOM 322 CG ARG A 308 2.944 -5.324 -10.726 1.00 0.00 C ATOM 323 CD ARG A 308 1.612 -5.895 -11.256 1.00 0.00 C ATOM 324 NE ARG A 308 1.751 -7.372 -11.447 1.00 0.00 N ATOM 325 CZ ARG A 308 2.780 -7.881 -12.075 1.00 0.00 C ATOM 326 NH1 ARG A 308 3.614 -7.112 -12.720 1.00 0.00 N ATOM 327 NH2 ARG A 308 2.941 -9.176 -12.103 1.00 0.00 N ATOM 0 H ARG A 308 2.697 -2.720 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 308 4.442 -4.712 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.927 -4.450 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.320 -3.297 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 308 3.551 -4.973 -11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.510 -6.112 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.806 -5.681 -10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.348 -5.418 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 308 1.030 -7.994 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 308 3.467 -6.103 -12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 308 4.413 -7.520 -13.206 1.00 0.00 H new ATOM 0 HH21 ARG A 308 2.267 -9.784 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 308 3.741 -9.580 -12.591 1.00 0.00 H new ATOM 341 N GLU A 309 5.318 -1.956 -9.907 1.00 0.00 N ATOM 342 CA GLU A 309 6.279 -1.380 -10.891 1.00 0.00 C ATOM 343 C GLU A 309 7.704 -1.851 -10.565 1.00 0.00 C ATOM 344 O GLU A 309 8.580 -1.798 -11.404 1.00 0.00 O ATOM 345 CB GLU A 309 6.183 0.166 -10.879 1.00 0.00 C ATOM 346 CG GLU A 309 7.146 0.786 -9.841 1.00 0.00 C ATOM 347 CD GLU A 309 8.538 0.986 -10.458 1.00 0.00 C ATOM 348 OE1 GLU A 309 8.746 0.540 -11.574 1.00 0.00 O ATOM 349 OE2 GLU A 309 9.371 1.585 -9.801 1.00 0.00 O ATOM 0 H GLU A 309 4.967 -1.313 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 309 6.027 -1.727 -11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.417 0.554 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.160 0.466 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.753 1.742 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 309 7.217 0.137 -8.968 1.00 0.00 H new ATOM 356 N HIS A 310 7.939 -2.331 -9.359 1.00 0.00 N ATOM 357 CA HIS A 310 9.310 -2.823 -8.995 1.00 0.00 C ATOM 358 C HIS A 310 9.219 -4.200 -8.323 1.00 0.00 C ATOM 359 O HIS A 310 8.341 -4.987 -8.616 1.00 0.00 O ATOM 360 CB HIS A 310 10.012 -1.810 -8.079 1.00 0.00 C ATOM 361 CG HIS A 310 9.431 -1.824 -6.689 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.029 -2.525 -5.652 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.357 -1.171 -6.130 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.324 -2.274 -4.534 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.297 -1.453 -4.769 1.00 0.00 N ATOM 0 H HIS A 310 7.243 -2.402 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 310 9.902 -2.927 -9.904 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.077 -2.038 -8.031 1.00 0.00 H new ATOM 0 HB3 HIS A 310 9.919 -0.810 -8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.666 -0.537 -6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.560 -2.686 -3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.615 -1.107 -4.095 1.00 0.00 H new ATOM 373 N LYS A 311 10.142 -4.508 -7.451 1.00 0.00 N ATOM 374 CA LYS A 311 10.141 -5.851 -6.785 1.00 0.00 C ATOM 375 C LYS A 311 9.180 -5.886 -5.596 1.00 0.00 C ATOM 376 O LYS A 311 9.589 -5.878 -4.451 1.00 0.00 O ATOM 377 CB LYS A 311 11.563 -6.195 -6.319 1.00 0.00 C ATOM 378 CG LYS A 311 12.210 -4.980 -5.647 1.00 0.00 C ATOM 379 CD LYS A 311 13.573 -5.375 -5.075 1.00 0.00 C ATOM 380 CE LYS A 311 14.110 -4.238 -4.204 1.00 0.00 C ATOM 381 NZ LYS A 311 14.310 -3.021 -5.041 1.00 0.00 N ATOM 0 H LYS A 311 10.901 -3.888 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 311 9.801 -6.590 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.532 -7.032 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 311 12.165 -6.512 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.328 -4.172 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.565 -4.605 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 311 13.481 -6.287 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 311 14.271 -5.588 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.412 -4.025 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 311 15.052 -4.533 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 14.888 -2.332 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 14.795 -3.282 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 13.387 -2.599 -5.266 1.00 0.00 H new ATOM 395 N CYS A 312 7.905 -5.957 -5.859 1.00 0.00 N ATOM 396 CA CYS A 312 6.913 -6.028 -4.753 1.00 0.00 C ATOM 397 C CYS A 312 5.530 -6.293 -5.337 1.00 0.00 C ATOM 398 O CYS A 312 4.866 -5.403 -5.824 1.00 0.00 O ATOM 399 CB CYS A 312 6.889 -4.713 -3.988 1.00 0.00 C ATOM 400 SG CYS A 312 6.448 -3.379 -5.123 1.00 0.00 S ATOM 0 H CYS A 312 7.507 -5.969 -6.798 1.00 0.00 H new ATOM 0 HA CYS A 312 7.192 -6.833 -4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.169 -4.766 -3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 312 7.864 -4.520 -3.541 1.00 0.00 H new ATOM 0 HG CYS A 312 7.123 -2.310 -4.819 1.00 0.00 H new ATOM 406 N GLN A 313 5.091 -7.512 -5.295 1.00 0.00 N ATOM 407 CA GLN A 313 3.745 -7.832 -5.851 1.00 0.00 C ATOM 408 C GLN A 313 2.663 -7.303 -4.887 1.00 0.00 C ATOM 409 O GLN A 313 2.580 -7.760 -3.766 1.00 0.00 O ATOM 410 CB GLN A 313 3.601 -9.351 -5.989 1.00 0.00 C ATOM 411 CG GLN A 313 4.641 -9.884 -6.979 1.00 0.00 C ATOM 412 CD GLN A 313 4.361 -9.331 -8.379 1.00 0.00 C ATOM 413 OE1 GLN A 313 5.275 -8.986 -9.103 1.00 0.00 O ATOM 414 NE2 GLN A 313 3.128 -9.231 -8.796 1.00 0.00 N ATOM 0 H GLN A 313 5.600 -8.303 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 313 3.629 -7.364 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.733 -9.828 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.597 -9.600 -6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 313 5.642 -9.596 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 313 4.614 -10.974 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 313 2.360 -9.520 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 313 2.933 -8.864 -9.727 1.00 0.00 H new ATOM 423 N PRO A 314 1.842 -6.347 -5.295 1.00 0.00 N ATOM 424 CA PRO A 314 0.779 -5.781 -4.408 1.00 0.00 C ATOM 425 C PRO A 314 -0.482 -6.652 -4.356 1.00 0.00 C ATOM 426 O PRO A 314 -0.860 -7.278 -5.327 1.00 0.00 O ATOM 427 CB PRO A 314 0.467 -4.429 -5.049 1.00 0.00 C ATOM 428 CG PRO A 314 0.721 -4.629 -6.510 1.00 0.00 C ATOM 429 CD PRO A 314 1.823 -5.695 -6.624 1.00 0.00 C ATOM 0 HA PRO A 314 1.113 -5.716 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.566 -4.133 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.102 -3.642 -4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.186 -4.954 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 314 1.034 -3.697 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.603 -6.412 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.788 -5.246 -6.860 1.00 0.00 H new ATOM 437 N ARG A 315 -1.139 -6.685 -3.224 1.00 0.00 N ATOM 438 CA ARG A 315 -2.382 -7.503 -3.088 1.00 0.00 C ATOM 439 C ARG A 315 -3.370 -6.754 -2.174 1.00 0.00 C ATOM 440 O ARG A 315 -3.027 -6.346 -1.082 1.00 0.00 O ATOM 441 CB ARG A 315 -2.051 -8.895 -2.478 1.00 0.00 C ATOM 442 CG ARG A 315 -0.539 -9.190 -2.563 1.00 0.00 C ATOM 443 CD ARG A 315 0.267 -8.254 -1.622 1.00 0.00 C ATOM 444 NE ARG A 315 1.203 -9.060 -0.763 1.00 0.00 N ATOM 445 CZ ARG A 315 0.775 -10.044 -0.015 1.00 0.00 C ATOM 446 NH1 ARG A 315 -0.501 -10.288 0.083 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.628 -10.767 0.658 1.00 0.00 N ATOM 0 H ARG A 315 -0.865 -6.177 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.826 -7.656 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.373 -8.926 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.607 -9.669 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.352 -10.230 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.197 -9.060 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.833 -7.533 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.416 -7.684 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 315 2.197 -8.833 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -1.171 -9.711 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -0.830 -11.056 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.626 -10.564 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 315 1.297 -11.535 1.242 1.00 0.00 H new ATOM 461 N LEU A 316 -4.594 -6.582 -2.609 1.00 0.00 N ATOM 462 CA LEU A 316 -5.606 -5.879 -1.776 1.00 0.00 C ATOM 463 C LEU A 316 -6.432 -6.928 -1.032 1.00 0.00 C ATOM 464 O LEU A 316 -7.022 -7.811 -1.623 1.00 0.00 O ATOM 465 CB LEU A 316 -6.513 -5.050 -2.692 1.00 0.00 C ATOM 466 CG LEU A 316 -7.149 -3.894 -1.914 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.005 -3.063 -2.872 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.032 -4.446 -0.787 1.00 0.00 C ATOM 0 H LEU A 316 -4.934 -6.904 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.122 -5.217 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -5.934 -4.658 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.292 -5.685 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.366 -3.272 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.463 -2.237 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.378 -2.668 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.786 -3.691 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.481 -3.618 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.819 -5.068 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.424 -5.044 -0.108 1.00 0.00 H new ATOM 480 N LEU A 317 -6.461 -6.834 0.260 1.00 0.00 N ATOM 481 CA LEU A 317 -7.225 -7.813 1.095 1.00 0.00 C ATOM 482 C LEU A 317 -8.469 -7.121 1.630 1.00 0.00 C ATOM 483 O LEU A 317 -8.994 -6.262 0.965 1.00 0.00 O ATOM 484 CB LEU A 317 -6.326 -8.284 2.239 1.00 0.00 C ATOM 485 CG LEU A 317 -4.944 -8.622 1.666 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.043 -9.168 2.767 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.091 -9.675 0.562 1.00 0.00 C ATOM 0 H LEU A 317 -5.980 -6.108 0.791 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.528 -8.680 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.241 -7.507 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.759 -9.159 2.725 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.499 -7.717 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.064 -9.405 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -3.932 -8.419 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.487 -10.070 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.109 -9.915 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.542 -10.576 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -5.727 -9.283 -0.232 1.00 0.00 H new ATOM 499 N TYR A 318 -8.933 -7.505 2.811 1.00 0.00 N ATOM 500 CA TYR A 318 -10.169 -6.900 3.450 1.00 0.00 C ATOM 501 C TYR A 318 -10.624 -5.627 2.700 1.00 0.00 C ATOM 502 O TYR A 318 -9.793 -4.880 2.246 1.00 0.00 O ATOM 503 CB TYR A 318 -9.818 -6.539 4.910 1.00 0.00 C ATOM 504 CG TYR A 318 -11.030 -6.686 5.802 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.453 -7.959 6.200 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.735 -5.549 6.218 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.584 -8.095 7.017 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.863 -5.686 7.035 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.287 -6.958 7.435 1.00 0.00 C ATOM 510 OH TYR A 318 -14.401 -7.093 8.239 1.00 0.00 O ATOM 0 H TYR A 318 -8.494 -8.233 3.374 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.986 -7.620 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.017 -7.186 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.447 -5.515 4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.909 -8.835 5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.408 -4.567 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.913 -9.077 7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.406 -4.810 7.357 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.770 -6.207 8.438 1.00 0.00 H new ATOM 520 N PRO A 319 -11.919 -5.385 2.559 1.00 0.00 N ATOM 521 CA PRO A 319 -12.463 -4.201 1.835 1.00 0.00 C ATOM 522 C PRO A 319 -11.500 -3.012 1.732 1.00 0.00 C ATOM 523 O PRO A 319 -11.600 -2.205 0.829 1.00 0.00 O ATOM 524 CB PRO A 319 -13.690 -3.871 2.666 1.00 0.00 C ATOM 525 CG PRO A 319 -14.242 -5.217 3.040 1.00 0.00 C ATOM 526 CD PRO A 319 -13.040 -6.192 3.079 1.00 0.00 C ATOM 0 HA PRO A 319 -12.664 -4.417 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.430 -3.286 3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.413 -3.286 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.740 -5.176 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.985 -5.547 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.843 -6.545 4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.219 -7.073 2.463 1.00 0.00 H new ATOM 534 N ALA A 320 -10.551 -2.907 2.619 1.00 0.00 N ATOM 535 CA ALA A 320 -9.576 -1.786 2.530 1.00 0.00 C ATOM 536 C ALA A 320 -8.241 -2.182 3.186 1.00 0.00 C ATOM 537 O ALA A 320 -7.649 -1.390 3.892 1.00 0.00 O ATOM 538 CB ALA A 320 -10.160 -0.558 3.231 1.00 0.00 C ATOM 0 H ALA A 320 -10.409 -3.547 3.400 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.388 -1.555 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.451 0.267 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.093 -0.272 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.353 -0.794 4.278 1.00 0.00 H new ATOM 544 N LYS A 321 -7.743 -3.388 2.951 1.00 0.00 N ATOM 545 CA LYS A 321 -6.428 -3.791 3.563 1.00 0.00 C ATOM 546 C LYS A 321 -5.399 -3.954 2.439 1.00 0.00 C ATOM 547 O LYS A 321 -5.520 -4.822 1.597 1.00 0.00 O ATOM 548 CB LYS A 321 -6.603 -5.113 4.335 1.00 0.00 C ATOM 549 CG LYS A 321 -6.980 -4.826 5.804 1.00 0.00 C ATOM 550 CD LYS A 321 -5.711 -4.571 6.652 1.00 0.00 C ATOM 551 CE LYS A 321 -5.236 -5.881 7.293 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.256 -6.346 8.276 1.00 0.00 N ATOM 0 H LYS A 321 -8.187 -4.098 2.369 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.083 -3.029 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.378 -5.718 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.680 -5.691 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.637 -3.958 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.535 -5.670 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.922 -4.156 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.923 -3.834 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -5.081 -6.640 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -4.278 -5.730 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -5.784 -6.846 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -6.774 -5.527 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.923 -6.990 7.805 1.00 0.00 H new ATOM 566 N LEU A 322 -4.395 -3.110 2.410 1.00 0.00 N ATOM 567 CA LEU A 322 -3.361 -3.193 1.330 1.00 0.00 C ATOM 568 C LEU A 322 -2.135 -3.939 1.848 1.00 0.00 C ATOM 569 O LEU A 322 -1.479 -3.508 2.771 1.00 0.00 O ATOM 570 CB LEU A 322 -2.993 -1.758 0.911 1.00 0.00 C ATOM 571 CG LEU A 322 -1.756 -1.704 -0.017 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.438 -1.876 0.775 1.00 0.00 C ATOM 573 CD2 LEU A 322 -1.873 -2.781 -1.106 1.00 0.00 C ATOM 0 H LEU A 322 -4.247 -2.365 3.090 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.746 -3.738 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.843 -1.303 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.799 -1.162 1.803 1.00 0.00 H new ATOM 0 HG LEU A 322 -1.728 -0.720 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.407 -1.832 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.349 -1.077 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.443 -2.840 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -0.999 -2.738 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -1.930 -3.765 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -2.773 -2.606 -1.696 1.00 0.00 H new ATOM 585 N SER A 323 -1.818 -5.057 1.242 1.00 0.00 N ATOM 586 CA SER A 323 -0.626 -5.853 1.664 1.00 0.00 C ATOM 587 C SER A 323 0.500 -5.666 0.649 1.00 0.00 C ATOM 588 O SER A 323 0.268 -5.397 -0.514 1.00 0.00 O ATOM 589 CB SER A 323 -1.007 -7.331 1.741 1.00 0.00 C ATOM 590 OG SER A 323 0.169 -8.122 1.644 1.00 0.00 O ATOM 0 H SER A 323 -2.342 -5.456 0.463 1.00 0.00 H new ATOM 0 HA SER A 323 -0.288 -5.512 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.522 -7.538 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.697 -7.583 0.936 1.00 0.00 H new ATOM 0 HG SER A 323 0.109 -8.875 2.268 1.00 0.00 H new ATOM 596 N ILE A 324 1.725 -5.801 1.084 1.00 0.00 N ATOM 597 CA ILE A 324 2.882 -5.627 0.156 1.00 0.00 C ATOM 598 C ILE A 324 3.975 -6.647 0.506 1.00 0.00 C ATOM 599 O ILE A 324 4.171 -7.004 1.650 1.00 0.00 O ATOM 600 CB ILE A 324 3.454 -4.195 0.285 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.347 -3.689 1.740 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.692 -3.241 -0.642 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.289 -4.478 2.666 1.00 0.00 C ATOM 0 H ILE A 324 1.975 -6.025 2.047 1.00 0.00 H new ATOM 0 HA ILE A 324 2.545 -5.786 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 324 4.506 -4.223 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.596 -2.628 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.319 -3.789 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 324 3.101 -2.235 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.795 -3.577 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.637 -3.232 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.195 -4.103 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 324 4.022 -5.535 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.318 -4.356 2.328 1.00 0.00 H new ATOM 615 N THR A 325 4.688 -7.117 -0.486 1.00 0.00 N ATOM 616 CA THR A 325 5.778 -8.109 -0.243 1.00 0.00 C ATOM 617 C THR A 325 7.130 -7.395 -0.264 1.00 0.00 C ATOM 618 O THR A 325 7.595 -6.961 -1.299 1.00 0.00 O ATOM 619 CB THR A 325 5.748 -9.174 -1.345 1.00 0.00 C ATOM 620 OG1 THR A 325 4.537 -9.912 -1.246 1.00 0.00 O ATOM 621 CG2 THR A 325 6.941 -10.123 -1.180 1.00 0.00 C ATOM 0 H THR A 325 4.560 -6.853 -1.463 1.00 0.00 H new ATOM 0 HA THR A 325 5.632 -8.582 0.728 1.00 0.00 H new ATOM 0 HB THR A 325 5.807 -8.691 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.511 -10.594 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 325 6.916 -10.879 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 325 7.869 -9.556 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 325 6.887 -10.610 -0.206 1.00 0.00 H new ATOM 629 N ILE A 326 7.769 -7.279 0.872 1.00 0.00 N ATOM 630 CA ILE A 326 9.102 -6.606 0.931 1.00 0.00 C ATOM 631 C ILE A 326 10.017 -7.407 1.856 1.00 0.00 C ATOM 632 O ILE A 326 9.584 -7.954 2.852 1.00 0.00 O ATOM 633 CB ILE A 326 8.946 -5.184 1.477 1.00 0.00 C ATOM 634 CG1 ILE A 326 7.995 -4.390 0.573 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.317 -4.502 1.508 1.00 0.00 C ATOM 636 CD1 ILE A 326 7.735 -3.012 1.182 1.00 0.00 C ATOM 0 H ILE A 326 7.422 -7.624 1.767 1.00 0.00 H new ATOM 0 HA ILE A 326 9.531 -6.556 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 326 8.535 -5.221 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.428 -4.283 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.055 -4.929 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.211 -3.489 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 326 10.991 -5.068 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.727 -4.463 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.059 -2.451 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.283 -3.129 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.677 -2.472 1.277 1.00 0.00 H new ATOM 648 N ASP A 327 11.279 -7.486 1.531 1.00 0.00 N ATOM 649 CA ASP A 327 12.237 -8.253 2.379 1.00 0.00 C ATOM 650 C ASP A 327 11.615 -9.582 2.809 1.00 0.00 C ATOM 651 O ASP A 327 11.937 -10.126 3.846 1.00 0.00 O ATOM 652 CB ASP A 327 12.594 -7.428 3.617 1.00 0.00 C ATOM 653 CG ASP A 327 13.751 -8.098 4.363 1.00 0.00 C ATOM 654 OD1 ASP A 327 13.479 -8.933 5.208 1.00 0.00 O ATOM 655 OD2 ASP A 327 14.889 -7.764 4.075 1.00 0.00 O ATOM 0 H ASP A 327 11.691 -7.048 0.707 1.00 0.00 H new ATOM 0 HA ASP A 327 13.139 -8.457 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.874 -6.416 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 327 11.727 -7.342 4.272 1.00 0.00 H new ATOM 660 N GLY A 328 10.731 -10.110 2.014 1.00 0.00 N ATOM 661 CA GLY A 328 10.089 -11.408 2.365 1.00 0.00 C ATOM 662 C GLY A 328 9.018 -11.182 3.433 1.00 0.00 C ATOM 663 O GLY A 328 7.963 -11.782 3.404 1.00 0.00 O ATOM 0 H GLY A 328 10.423 -9.699 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.642 -11.855 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 328 10.839 -12.108 2.731 1.00 0.00 H new ATOM 667 N GLU A 329 9.280 -10.324 4.382 1.00 0.00 N ATOM 668 CA GLU A 329 8.271 -10.069 5.450 1.00 0.00 C ATOM 669 C GLU A 329 7.057 -9.354 4.843 1.00 0.00 C ATOM 670 O GLU A 329 7.176 -8.309 4.236 1.00 0.00 O ATOM 671 CB GLU A 329 8.904 -9.196 6.558 1.00 0.00 C ATOM 672 CG GLU A 329 9.346 -10.071 7.736 1.00 0.00 C ATOM 673 CD GLU A 329 9.959 -9.187 8.824 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.211 -8.027 8.544 1.00 0.00 O ATOM 675 OE2 GLU A 329 10.167 -9.686 9.916 1.00 0.00 O ATOM 0 H GLU A 329 10.146 -9.791 4.464 1.00 0.00 H new ATOM 0 HA GLU A 329 7.947 -11.015 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 329 9.760 -8.653 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.185 -8.451 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.493 -10.620 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.073 -10.811 7.401 1.00 0.00 H new ATOM 682 N THR A 330 5.891 -9.911 5.020 1.00 0.00 N ATOM 683 CA THR A 330 4.660 -9.270 4.472 1.00 0.00 C ATOM 684 C THR A 330 4.143 -8.238 5.475 1.00 0.00 C ATOM 685 O THR A 330 4.089 -8.487 6.663 1.00 0.00 O ATOM 686 CB THR A 330 3.590 -10.341 4.243 1.00 0.00 C ATOM 687 OG1 THR A 330 4.154 -11.416 3.507 1.00 0.00 O ATOM 688 CG2 THR A 330 2.419 -9.743 3.462 1.00 0.00 C ATOM 0 H THR A 330 5.736 -10.785 5.522 1.00 0.00 H new ATOM 0 HA THR A 330 4.889 -8.778 3.527 1.00 0.00 H new ATOM 0 HB THR A 330 3.229 -10.705 5.205 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.473 -12.105 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 330 1.660 -10.509 3.301 1.00 0.00 H new ATOM 0 HG22 THR A 330 1.988 -8.918 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.774 -9.376 2.499 1.00 0.00 H new ATOM 696 N LYS A 331 3.757 -7.082 5.001 1.00 0.00 N ATOM 697 CA LYS A 331 3.231 -6.014 5.905 1.00 0.00 C ATOM 698 C LYS A 331 1.909 -5.525 5.317 1.00 0.00 C ATOM 699 O LYS A 331 1.641 -5.717 4.148 1.00 0.00 O ATOM 700 CB LYS A 331 4.264 -4.857 5.969 1.00 0.00 C ATOM 701 CG LYS A 331 4.743 -4.625 7.410 1.00 0.00 C ATOM 702 CD LYS A 331 3.655 -3.923 8.229 1.00 0.00 C ATOM 703 CE LYS A 331 4.272 -3.368 9.514 1.00 0.00 C ATOM 704 NZ LYS A 331 5.233 -2.281 9.173 1.00 0.00 N ATOM 0 H LYS A 331 3.784 -6.829 4.013 1.00 0.00 H new ATOM 0 HA LYS A 331 3.069 -6.388 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.117 -5.091 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.816 -3.943 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.997 -5.578 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.650 -4.021 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.209 -3.116 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.855 -4.623 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 331 3.490 -2.985 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 331 4.783 -4.163 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 5.265 -1.590 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 6.180 -2.687 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 4.925 -1.807 8.300 1.00 0.00 H new ATOM 718 N VAL A 332 1.078 -4.901 6.109 1.00 0.00 N ATOM 719 CA VAL A 332 -0.227 -4.414 5.572 1.00 0.00 C ATOM 720 C VAL A 332 -0.587 -3.070 6.196 1.00 0.00 C ATOM 721 O VAL A 332 -0.072 -2.684 7.227 1.00 0.00 O ATOM 722 CB VAL A 332 -1.314 -5.451 5.866 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.491 -5.258 4.907 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.744 -6.851 5.658 1.00 0.00 C ATOM 0 H VAL A 332 1.244 -4.708 7.097 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.146 -4.277 4.494 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.653 -5.328 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.261 -5.999 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.905 -4.258 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -2.147 -5.379 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.515 -7.593 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.408 -6.957 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.099 -7.005 6.332 1.00 0.00 H new ATOM 734 N PHE A 333 -1.458 -2.344 5.546 1.00 0.00 N ATOM 735 CA PHE A 333 -1.861 -1.001 6.043 1.00 0.00 C ATOM 736 C PHE A 333 -3.359 -0.802 5.815 1.00 0.00 C ATOM 737 O PHE A 333 -3.862 -0.983 4.725 1.00 0.00 O ATOM 738 CB PHE A 333 -1.049 0.033 5.271 1.00 0.00 C ATOM 739 CG PHE A 333 0.408 -0.254 5.533 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.004 0.218 6.701 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.153 -1.018 4.626 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.345 -0.066 6.971 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.499 -1.300 4.890 1.00 0.00 C ATOM 744 CZ PHE A 333 3.095 -0.824 6.064 1.00 0.00 C ATOM 0 H PHE A 333 -1.912 -2.632 4.679 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.670 -0.899 7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.266 -0.026 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.306 1.042 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.427 0.805 7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.690 -1.389 3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.803 0.299 7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.077 -1.884 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.133 -1.041 6.270 1.00 0.00 H new ATOM 754 N HIS A 334 -4.079 -0.459 6.851 1.00 0.00 N ATOM 755 CA HIS A 334 -5.555 -0.277 6.724 1.00 0.00 C ATOM 756 C HIS A 334 -5.889 1.176 6.336 1.00 0.00 C ATOM 757 O HIS A 334 -6.748 1.418 5.513 1.00 0.00 O ATOM 758 CB HIS A 334 -6.210 -0.632 8.078 1.00 0.00 C ATOM 759 CG HIS A 334 -7.553 -1.289 7.870 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.180 -1.322 6.635 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.394 -1.948 8.734 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.343 -1.982 6.788 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.522 -2.384 8.047 1.00 0.00 N ATOM 0 H HIS A 334 -3.705 -0.296 7.786 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.940 -0.930 5.941 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.557 -1.300 8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.331 0.271 8.676 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -7.825 -0.919 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.208 -2.104 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.046 -2.164 5.988 1.00 0.00 H new ATOM 771 N ASP A 335 -5.231 2.141 6.934 1.00 0.00 N ATOM 772 CA ASP A 335 -5.523 3.578 6.613 1.00 0.00 C ATOM 773 C ASP A 335 -4.414 4.157 5.727 1.00 0.00 C ATOM 774 O ASP A 335 -3.311 3.649 5.683 1.00 0.00 O ATOM 775 CB ASP A 335 -5.599 4.375 7.916 1.00 0.00 C ATOM 776 CG ASP A 335 -6.729 3.821 8.785 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.827 3.678 8.273 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.478 3.548 9.947 1.00 0.00 O ATOM 0 H ASP A 335 -4.502 1.996 7.633 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.472 3.642 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.651 4.312 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -5.774 5.429 7.701 1.00 0.00 H new ATOM 783 N LYS A 336 -4.705 5.214 5.014 1.00 0.00 N ATOM 784 CA LYS A 336 -3.676 5.824 4.122 1.00 0.00 C ATOM 785 C LYS A 336 -2.504 6.339 4.969 1.00 0.00 C ATOM 786 O LYS A 336 -1.361 6.287 4.558 1.00 0.00 O ATOM 787 CB LYS A 336 -4.288 6.996 3.305 1.00 0.00 C ATOM 788 CG LYS A 336 -5.823 6.836 3.152 1.00 0.00 C ATOM 789 CD LYS A 336 -6.554 7.619 4.255 1.00 0.00 C ATOM 790 CE LYS A 336 -8.066 7.530 4.037 1.00 0.00 C ATOM 791 NZ LYS A 336 -8.479 6.099 3.963 1.00 0.00 N ATOM 0 H LYS A 336 -5.612 5.681 5.011 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.319 5.065 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -4.066 7.942 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -3.824 7.036 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.137 7.196 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.093 5.781 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.294 7.216 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.236 8.662 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.591 8.028 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -8.342 8.046 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -9.501 6.023 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -8.261 5.723 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -7.963 5.551 4.681 1.00 0.00 H new ATOM 805 N THR A 337 -2.776 6.836 6.146 1.00 0.00 N ATOM 806 CA THR A 337 -1.672 7.352 7.006 1.00 0.00 C ATOM 807 C THR A 337 -0.755 6.199 7.385 1.00 0.00 C ATOM 808 O THR A 337 0.450 6.281 7.267 1.00 0.00 O ATOM 809 CB THR A 337 -2.249 7.952 8.287 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.196 8.960 7.959 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.118 8.558 9.120 1.00 0.00 C ATOM 0 H THR A 337 -3.711 6.907 6.548 1.00 0.00 H new ATOM 0 HA THR A 337 -1.119 8.115 6.458 1.00 0.00 H new ATOM 0 HB THR A 337 -2.744 7.170 8.863 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.566 9.342 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.529 8.986 10.034 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.397 7.781 9.375 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.621 9.339 8.545 1.00 0.00 H new ATOM 819 N LYS A 338 -1.324 5.122 7.843 1.00 0.00 N ATOM 820 CA LYS A 338 -0.497 3.956 8.235 1.00 0.00 C ATOM 821 C LYS A 338 0.494 3.654 7.103 1.00 0.00 C ATOM 822 O LYS A 338 1.678 3.490 7.325 1.00 0.00 O ATOM 823 CB LYS A 338 -1.427 2.753 8.485 1.00 0.00 C ATOM 824 CG LYS A 338 -0.835 1.823 9.566 1.00 0.00 C ATOM 825 CD LYS A 338 -1.349 2.237 10.951 1.00 0.00 C ATOM 826 CE LYS A 338 -0.716 1.344 12.018 1.00 0.00 C ATOM 827 NZ LYS A 338 -1.020 -0.082 11.712 1.00 0.00 N ATOM 0 H LYS A 338 -2.330 5.001 7.962 1.00 0.00 H new ATOM 0 HA LYS A 338 0.063 4.163 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.409 3.105 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.569 2.198 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 338 -1.112 0.789 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.254 1.872 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.104 3.282 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.435 2.152 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 338 0.362 1.500 12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -1.101 1.606 13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -0.901 -0.655 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -2.001 -0.163 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -0.371 -0.425 10.975 1.00 0.00 H new ATOM 841 N PHE A 339 0.017 3.601 5.889 1.00 0.00 N ATOM 842 CA PHE A 339 0.929 3.334 4.742 1.00 0.00 C ATOM 843 C PHE A 339 1.931 4.486 4.618 1.00 0.00 C ATOM 844 O PHE A 339 3.122 4.300 4.725 1.00 0.00 O ATOM 845 CB PHE A 339 0.119 3.221 3.448 1.00 0.00 C ATOM 846 CG PHE A 339 1.046 2.871 2.306 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.419 1.539 2.092 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.535 3.876 1.464 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.281 1.211 1.040 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.396 3.550 0.409 1.00 0.00 C ATOM 851 CZ PHE A 339 2.770 2.214 0.197 1.00 0.00 C ATOM 0 H PHE A 339 -0.964 3.731 5.643 1.00 0.00 H new ATOM 0 HA PHE A 339 1.461 2.398 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.651 2.457 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.391 4.162 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.041 0.763 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.248 4.904 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.569 0.183 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.772 4.326 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.434 1.961 -0.616 1.00 0.00 H new ATOM 861 N THR A 340 1.452 5.678 4.386 1.00 0.00 N ATOM 862 CA THR A 340 2.375 6.849 4.247 1.00 0.00 C ATOM 863 C THR A 340 3.469 6.797 5.322 1.00 0.00 C ATOM 864 O THR A 340 4.646 6.870 5.028 1.00 0.00 O ATOM 865 CB THR A 340 1.579 8.147 4.395 1.00 0.00 C ATOM 866 OG1 THR A 340 0.575 8.201 3.392 1.00 0.00 O ATOM 867 CG2 THR A 340 2.519 9.343 4.242 1.00 0.00 C ATOM 0 H THR A 340 0.460 5.895 4.286 1.00 0.00 H new ATOM 0 HA THR A 340 2.843 6.813 3.263 1.00 0.00 H new ATOM 0 HB THR A 340 1.112 8.178 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.189 7.651 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.952 10.268 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.290 9.301 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.987 9.315 3.258 1.00 0.00 H new ATOM 875 N GLN A 341 3.091 6.670 6.562 1.00 0.00 N ATOM 876 CA GLN A 341 4.108 6.613 7.656 1.00 0.00 C ATOM 877 C GLN A 341 5.151 5.543 7.332 1.00 0.00 C ATOM 878 O GLN A 341 6.338 5.779 7.428 1.00 0.00 O ATOM 879 CB GLN A 341 3.415 6.274 8.983 1.00 0.00 C ATOM 880 CG GLN A 341 2.709 7.519 9.525 1.00 0.00 C ATOM 881 CD GLN A 341 1.894 7.147 10.765 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.376 6.051 10.858 1.00 0.00 O ATOM 883 NE2 GLN A 341 1.758 8.017 11.728 1.00 0.00 N ATOM 0 H GLN A 341 2.121 6.603 6.869 1.00 0.00 H new ATOM 0 HA GLN A 341 4.601 7.581 7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.694 5.470 8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.147 5.915 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 341 3.442 8.285 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 341 2.056 7.941 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 341 2.193 8.936 11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 341 1.217 7.778 12.559 1.00 0.00 H new ATOM 892 N TYR A 342 4.720 4.373 6.957 1.00 0.00 N ATOM 893 CA TYR A 342 5.690 3.280 6.634 1.00 0.00 C ATOM 894 C TYR A 342 6.762 3.806 5.676 1.00 0.00 C ATOM 895 O TYR A 342 7.933 3.515 5.815 1.00 0.00 O ATOM 896 CB TYR A 342 4.934 2.112 5.992 1.00 0.00 C ATOM 897 CG TYR A 342 5.900 1.028 5.569 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.720 0.410 6.519 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.962 0.630 4.228 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.604 -0.602 6.129 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.846 -0.381 3.837 1.00 0.00 C ATOM 902 CZ TYR A 342 7.667 -0.999 4.787 1.00 0.00 C ATOM 903 OH TYR A 342 8.538 -1.998 4.400 1.00 0.00 O ATOM 0 H TYR A 342 3.736 4.121 6.859 1.00 0.00 H new ATOM 0 HA TYR A 342 6.176 2.937 7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.210 1.707 6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.372 2.465 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.671 0.714 7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.327 1.104 3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.238 -1.077 6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.895 -0.685 2.802 1.00 0.00 H new ATOM 0 HH TYR A 342 8.669 -2.624 5.143 1.00 0.00 H new ATOM 913 N LEU A 343 6.376 4.580 4.706 1.00 0.00 N ATOM 914 CA LEU A 343 7.386 5.131 3.753 1.00 0.00 C ATOM 915 C LEU A 343 8.093 6.324 4.388 1.00 0.00 C ATOM 916 O LEU A 343 9.296 6.475 4.272 1.00 0.00 O ATOM 917 CB LEU A 343 6.707 5.599 2.467 1.00 0.00 C ATOM 918 CG LEU A 343 5.877 4.470 1.841 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.452 4.888 0.434 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.709 3.188 1.752 1.00 0.00 C ATOM 0 H LEU A 343 5.411 4.857 4.528 1.00 0.00 H new ATOM 0 HA LEU A 343 8.104 4.344 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.064 6.452 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.461 5.938 1.756 1.00 0.00 H new ATOM 0 HG LEU A 343 5.001 4.283 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.861 4.092 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.853 5.797 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.338 5.074 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.109 2.395 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.589 3.368 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.022 2.887 2.752 1.00 0.00 H new ATOM 932 N SER A 344 7.368 7.174 5.060 1.00 0.00 N ATOM 933 CA SER A 344 8.015 8.350 5.702 1.00 0.00 C ATOM 934 C SER A 344 9.230 7.865 6.489 1.00 0.00 C ATOM 935 O SER A 344 10.188 8.586 6.685 1.00 0.00 O ATOM 936 CB SER A 344 7.025 9.024 6.653 1.00 0.00 C ATOM 937 OG SER A 344 7.049 8.350 7.905 1.00 0.00 O ATOM 0 H SER A 344 6.359 7.105 5.192 1.00 0.00 H new ATOM 0 HA SER A 344 8.323 9.068 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 344 7.287 10.074 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.020 8.997 6.231 1.00 0.00 H new ATOM 0 HG SER A 344 6.749 7.425 7.784 1.00 0.00 H new ATOM 943 N THR A 345 9.191 6.631 6.933 1.00 0.00 N ATOM 944 CA THR A 345 10.338 6.061 7.703 1.00 0.00 C ATOM 945 C THR A 345 11.170 5.154 6.790 1.00 0.00 C ATOM 946 O THR A 345 12.096 4.503 7.232 1.00 0.00 O ATOM 947 CB THR A 345 9.809 5.276 8.914 1.00 0.00 C ATOM 948 OG1 THR A 345 10.901 4.846 9.712 1.00 0.00 O ATOM 949 CG2 THR A 345 9.001 4.058 8.465 1.00 0.00 C ATOM 0 H THR A 345 8.408 5.992 6.793 1.00 0.00 H new ATOM 0 HA THR A 345 10.975 6.868 8.065 1.00 0.00 H new ATOM 0 HB THR A 345 9.158 5.932 9.492 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.644 4.577 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.638 3.519 9.340 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.153 4.385 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.635 3.400 7.871 1.00 0.00 H new ATOM 957 N ASN A 346 10.856 5.109 5.512 1.00 0.00 N ATOM 958 CA ASN A 346 11.639 4.247 4.572 1.00 0.00 C ATOM 959 C ASN A 346 11.856 5.015 3.268 1.00 0.00 C ATOM 960 O ASN A 346 11.261 4.714 2.252 1.00 0.00 O ATOM 961 CB ASN A 346 10.869 2.953 4.283 1.00 0.00 C ATOM 962 CG ASN A 346 11.824 1.903 3.707 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.780 1.518 4.349 1.00 0.00 O ATOM 964 ND2 ASN A 346 11.604 1.422 2.513 1.00 0.00 N ATOM 0 H ASN A 346 10.092 5.632 5.084 1.00 0.00 H new ATOM 0 HA ASN A 346 12.599 3.992 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.411 2.579 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 346 10.060 3.149 3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.235 0.723 2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 346 10.801 1.745 1.973 1.00 0.00 H new ATOM 971 N PRO A 347 12.707 6.006 3.302 1.00 0.00 N ATOM 972 CA PRO A 347 13.019 6.842 2.110 1.00 0.00 C ATOM 973 C PRO A 347 13.423 5.979 0.908 1.00 0.00 C ATOM 974 O PRO A 347 13.537 6.454 -0.204 1.00 0.00 O ATOM 975 CB PRO A 347 14.190 7.725 2.574 1.00 0.00 C ATOM 976 CG PRO A 347 14.074 7.774 4.064 1.00 0.00 C ATOM 977 CD PRO A 347 13.469 6.433 4.485 1.00 0.00 C ATOM 0 HA PRO A 347 12.159 7.422 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.147 7.304 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.127 8.723 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.050 7.924 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.441 8.604 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.242 5.710 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.825 6.541 5.358 1.00 0.00 H new ATOM 985 N ALA A 348 13.642 4.712 1.134 1.00 0.00 N ATOM 986 CA ALA A 348 14.042 3.809 0.020 1.00 0.00 C ATOM 987 C ALA A 348 12.866 3.622 -0.938 1.00 0.00 C ATOM 988 O ALA A 348 12.986 3.828 -2.130 1.00 0.00 O ATOM 989 CB ALA A 348 14.459 2.450 0.588 1.00 0.00 C ATOM 0 H ALA A 348 13.560 4.263 2.046 1.00 0.00 H new ATOM 0 HA ALA A 348 14.880 4.251 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.752 1.789 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.301 2.583 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.622 2.009 1.129 1.00 0.00 H new ATOM 995 N LEU A 349 11.727 3.235 -0.434 1.00 0.00 N ATOM 996 CA LEU A 349 10.559 3.037 -1.337 1.00 0.00 C ATOM 997 C LEU A 349 10.091 4.410 -1.845 1.00 0.00 C ATOM 998 O LEU A 349 9.624 4.542 -2.958 1.00 0.00 O ATOM 999 CB LEU A 349 9.416 2.332 -0.567 1.00 0.00 C ATOM 1000 CG LEU A 349 9.394 0.809 -0.834 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.212 0.190 -0.070 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.251 0.504 -2.347 1.00 0.00 C ATOM 0 H LEU A 349 11.555 3.049 0.554 1.00 0.00 H new ATOM 0 HA LEU A 349 10.842 2.412 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.534 2.511 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.460 2.766 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 349 10.336 0.380 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.185 -0.885 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.331 0.376 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.281 0.639 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.239 -0.575 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.321 0.934 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.093 0.938 -2.887 1.00 0.00 H new ATOM 1014 N GLN A 350 10.220 5.433 -1.041 1.00 0.00 N ATOM 1015 CA GLN A 350 9.785 6.789 -1.489 1.00 0.00 C ATOM 1016 C GLN A 350 10.423 7.100 -2.844 1.00 0.00 C ATOM 1017 O GLN A 350 9.798 7.656 -3.725 1.00 0.00 O ATOM 1018 CB GLN A 350 10.234 7.839 -0.472 1.00 0.00 C ATOM 1019 CG GLN A 350 9.404 7.704 0.806 1.00 0.00 C ATOM 1020 CD GLN A 350 9.716 8.871 1.744 1.00 0.00 C ATOM 1021 OE1 GLN A 350 10.277 8.680 2.804 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.373 10.081 1.396 1.00 0.00 N ATOM 0 H GLN A 350 10.606 5.389 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 350 8.699 6.809 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.292 7.711 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.116 8.839 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.342 7.694 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.627 6.758 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 350 8.902 10.241 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 350 9.576 10.866 2.014 1.00 0.00 H new ATOM 1031 N ARG A 351 11.668 6.748 -3.009 1.00 0.00 N ATOM 1032 CA ARG A 351 12.368 7.017 -4.285 1.00 0.00 C ATOM 1033 C ARG A 351 11.755 6.168 -5.401 1.00 0.00 C ATOM 1034 O ARG A 351 11.513 6.643 -6.491 1.00 0.00 O ATOM 1035 CB ARG A 351 13.841 6.651 -4.106 1.00 0.00 C ATOM 1036 CG ARG A 351 14.602 6.956 -5.395 1.00 0.00 C ATOM 1037 CD ARG A 351 16.120 6.734 -5.199 1.00 0.00 C ATOM 1038 NE ARG A 351 16.890 7.870 -5.807 1.00 0.00 N ATOM 1039 CZ ARG A 351 16.613 8.314 -7.006 1.00 0.00 C ATOM 1040 NH1 ARG A 351 15.736 7.701 -7.751 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.245 9.356 -7.473 1.00 0.00 N ATOM 0 H ARG A 351 12.233 6.279 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 351 12.271 8.069 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.269 7.215 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 351 13.936 5.594 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.237 6.317 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.416 7.986 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.350 6.656 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.420 5.793 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 351 17.644 8.304 -5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 351 15.261 6.870 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 351 15.525 8.053 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.952 9.821 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 351 17.032 9.705 -8.407 1.00 0.00 H new ATOM 1055 N ILE A 352 11.508 4.911 -5.144 1.00 0.00 N ATOM 1056 CA ILE A 352 10.917 4.045 -6.204 1.00 0.00 C ATOM 1057 C ILE A 352 9.473 4.488 -6.482 1.00 0.00 C ATOM 1058 O ILE A 352 9.129 4.847 -7.591 1.00 0.00 O ATOM 1059 CB ILE A 352 10.952 2.572 -5.741 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.350 1.985 -5.987 1.00 0.00 C ATOM 1061 CG2 ILE A 352 9.918 1.739 -6.511 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.409 2.890 -5.358 1.00 0.00 C ATOM 0 H ILE A 352 11.689 4.450 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 352 11.495 4.139 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 352 10.716 2.540 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 352 12.414 0.984 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 352 12.531 1.888 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 352 9.958 0.704 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 352 8.921 2.141 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 352 10.140 1.779 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.399 2.469 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 352 13.351 3.883 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 352 13.233 2.964 -4.285 1.00 0.00 H new ATOM 1074 N ILE A 353 8.626 4.458 -5.492 1.00 0.00 N ATOM 1075 CA ILE A 353 7.213 4.868 -5.711 1.00 0.00 C ATOM 1076 C ILE A 353 7.175 6.302 -6.242 1.00 0.00 C ATOM 1077 O ILE A 353 6.236 6.708 -6.897 1.00 0.00 O ATOM 1078 CB ILE A 353 6.451 4.778 -4.380 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.012 5.815 -3.367 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.619 3.361 -3.818 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.118 7.065 -3.313 1.00 0.00 C ATOM 0 H ILE A 353 8.852 4.167 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 353 6.743 4.208 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 353 5.396 4.994 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.075 5.365 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.025 6.099 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.084 3.279 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.215 2.638 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 353 7.677 3.157 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.530 7.777 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.077 7.526 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.113 6.780 -3.003 1.00 0.00 H new TER 1093 ILE A 353