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 290 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 294 MET CE :methyl 146:sc= 0 (180deg=-1.26) USER MOD Single : A 293 THR OG1 : rot -120:sc= -0.632 USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 THR OG1 : rot 64:sc= 1.06 USER MOD Single : A 305 GLN : amide:sc= -2.25! C(o=-2.2!,f=-3.2!) USER MOD Single : A 306 THR OG1 : rot 64:sc= 0.17 USER MOD Single : A 310 HIS : no HE2:sc= -4.46! C(o=-4.5!,f=-10!) USER MOD Single : A 311 LYS NZ :NH3+ -158:sc= -0.158 (180deg=-0.877) USER MOD Single : A 312 CYS SG : rot -153:sc= -2.18! USER MOD Single : A 313 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -131:sc= -0.0318 (180deg=-1.43) USER MOD Single : A 323 SER OG : rot 180:sc= -0.583 USER MOD Single : A 325 THR OG1 : rot -120:sc= 0.331 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ 154:sc= -0.252 (180deg=-1.24) USER MOD Single : A 334 HIS : no HE2:sc= -0.265 K(o=-0.26,f=-2.8!) USER MOD Single : A 336 LYS NZ :NH3+ 175:sc= -2.78! (180deg=-3.15) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ -156:sc= -0.191 (180deg=-0.867) USER MOD Single : A 340 THR OG1 : rot 180:sc= 0 USER MOD Single : A 341 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.067) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -31:sc= 0.321 USER MOD Single : A 346 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 350 GLN : amide:sc= -0.531 K(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.797 2.916 2.263 1.00 0.00 N ATOM 2 CA PHE A 289 -18.418 2.439 1.964 1.00 0.00 C ATOM 3 C PHE A 289 -17.918 3.086 0.675 1.00 0.00 C ATOM 4 O PHE A 289 -16.964 2.638 0.070 1.00 0.00 O ATOM 5 CB PHE A 289 -18.436 0.928 1.768 1.00 0.00 C ATOM 6 CG PHE A 289 -19.131 0.274 2.938 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.463 0.141 4.161 1.00 0.00 C ATOM 8 CD2 PHE A 289 -20.441 -0.197 2.800 1.00 0.00 C ATOM 9 CE1 PHE A 289 -19.107 -0.465 5.247 1.00 0.00 C ATOM 10 CE2 PHE A 289 -21.085 -0.802 3.886 1.00 0.00 C ATOM 11 CZ PHE A 289 -20.418 -0.936 5.110 1.00 0.00 C ATOM 0 HA PHE A 289 -17.763 2.705 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.950 0.678 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.417 0.550 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -17.452 0.505 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -20.955 -0.094 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.592 -0.569 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -22.096 -1.165 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 289 -20.915 -1.402 5.948 1.00 0.00 H new ATOM 21 N SER A 290 -18.570 4.123 0.238 1.00 0.00 N ATOM 22 CA SER A 290 -18.165 4.802 -1.030 1.00 0.00 C ATOM 23 C SER A 290 -17.197 5.963 -0.744 1.00 0.00 C ATOM 24 O SER A 290 -16.060 5.940 -1.166 1.00 0.00 O ATOM 25 CB SER A 290 -19.423 5.294 -1.765 1.00 0.00 C ATOM 26 OG SER A 290 -19.756 4.360 -2.784 1.00 0.00 O ATOM 0 H SER A 290 -19.376 4.537 0.707 1.00 0.00 H new ATOM 0 HA SER A 290 -17.638 4.092 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.252 5.399 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.245 6.278 -2.199 1.00 0.00 H new ATOM 0 HG SER A 290 -20.558 4.664 -3.257 1.00 0.00 H new ATOM 32 N PRO A 291 -17.641 6.980 -0.060 1.00 0.00 N ATOM 33 CA PRO A 291 -16.789 8.168 0.247 1.00 0.00 C ATOM 34 C PRO A 291 -15.578 7.855 1.144 1.00 0.00 C ATOM 35 O PRO A 291 -14.473 8.249 0.848 1.00 0.00 O ATOM 36 CB PRO A 291 -17.757 9.134 0.956 1.00 0.00 C ATOM 37 CG PRO A 291 -18.816 8.250 1.520 1.00 0.00 C ATOM 38 CD PRO A 291 -18.991 7.129 0.502 1.00 0.00 C ATOM 0 HA PRO A 291 -16.342 8.571 -0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.252 9.699 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.175 9.860 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.522 7.855 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.747 8.797 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -19.337 6.208 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.721 7.390 -0.264 1.00 0.00 H new ATOM 46 N GLU A 292 -15.776 7.205 2.262 1.00 0.00 N ATOM 47 CA GLU A 292 -14.616 6.937 3.183 1.00 0.00 C ATOM 48 C GLU A 292 -13.909 5.601 2.891 1.00 0.00 C ATOM 49 O GLU A 292 -12.709 5.551 2.676 1.00 0.00 O ATOM 50 CB GLU A 292 -15.116 6.943 4.636 1.00 0.00 C ATOM 51 CG GLU A 292 -16.222 5.891 4.830 1.00 0.00 C ATOM 52 CD GLU A 292 -17.089 6.264 6.037 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.627 6.082 7.152 1.00 0.00 O ATOM 54 OE2 GLU A 292 -18.198 6.724 5.825 1.00 0.00 O ATOM 0 H GLU A 292 -16.678 6.849 2.580 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.883 7.726 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.287 6.737 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.497 7.932 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.839 5.829 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -15.778 4.907 4.980 1.00 0.00 H new ATOM 61 N THR A 293 -14.628 4.520 2.939 1.00 0.00 N ATOM 62 CA THR A 293 -14.003 3.178 2.735 1.00 0.00 C ATOM 63 C THR A 293 -13.361 3.043 1.357 1.00 0.00 C ATOM 64 O THR A 293 -12.300 2.467 1.220 1.00 0.00 O ATOM 65 CB THR A 293 -15.077 2.105 2.880 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.854 2.372 4.039 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.427 0.730 3.013 1.00 0.00 C ATOM 0 H THR A 293 -15.633 4.503 3.112 1.00 0.00 H new ATOM 0 HA THR A 293 -13.220 3.060 3.484 1.00 0.00 H new ATOM 0 HB THR A 293 -15.715 2.115 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.789 1.615 4.658 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.201 -0.030 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.830 0.522 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.784 0.715 3.893 1.00 0.00 H new ATOM 75 N MET A 294 -13.995 3.520 0.333 1.00 0.00 N ATOM 76 CA MET A 294 -13.402 3.348 -1.017 1.00 0.00 C ATOM 77 C MET A 294 -12.054 4.076 -1.080 1.00 0.00 C ATOM 78 O MET A 294 -11.088 3.550 -1.594 1.00 0.00 O ATOM 79 CB MET A 294 -14.378 3.873 -2.079 1.00 0.00 C ATOM 80 CG MET A 294 -14.248 3.053 -3.370 1.00 0.00 C ATOM 81 SD MET A 294 -15.546 3.550 -4.529 1.00 0.00 S ATOM 82 CE MET A 294 -16.848 2.449 -3.910 1.00 0.00 C ATOM 0 H MET A 294 -14.886 4.015 0.367 1.00 0.00 H new ATOM 0 HA MET A 294 -13.225 2.291 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.400 3.815 -1.704 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.173 4.924 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.266 3.210 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.331 1.989 -3.148 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.816 2.940 -4.008 1.00 0.00 H new ATOM 0 HE2 MET A 294 -16.849 1.526 -4.489 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.662 2.219 -2.861 1.00 0.00 H new ATOM 92 N LYS A 295 -11.966 5.264 -0.539 1.00 0.00 N ATOM 93 CA LYS A 295 -10.660 5.990 -0.550 1.00 0.00 C ATOM 94 C LYS A 295 -9.577 5.042 -0.055 1.00 0.00 C ATOM 95 O LYS A 295 -8.508 4.950 -0.624 1.00 0.00 O ATOM 96 CB LYS A 295 -10.740 7.207 0.377 1.00 0.00 C ATOM 97 CG LYS A 295 -11.862 8.148 -0.090 1.00 0.00 C ATOM 98 CD LYS A 295 -11.360 9.053 -1.216 1.00 0.00 C ATOM 99 CE LYS A 295 -12.432 10.091 -1.553 1.00 0.00 C ATOM 100 NZ LYS A 295 -11.875 11.087 -2.513 1.00 0.00 N ATOM 0 H LYS A 295 -12.737 5.761 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.429 6.329 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -10.928 6.883 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -9.787 7.736 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.715 7.564 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.209 8.755 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -10.439 9.551 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -11.125 8.457 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -13.304 9.601 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -12.766 10.593 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -12.603 11.793 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -11.055 11.562 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -11.577 10.602 -3.383 1.00 0.00 H new ATOM 114 N ALA A 296 -9.853 4.313 0.989 1.00 0.00 N ATOM 115 CA ALA A 296 -8.841 3.348 1.491 1.00 0.00 C ATOM 116 C ALA A 296 -8.437 2.442 0.325 1.00 0.00 C ATOM 117 O ALA A 296 -7.273 2.175 0.098 1.00 0.00 O ATOM 118 CB ALA A 296 -9.445 2.515 2.622 1.00 0.00 C ATOM 0 H ALA A 296 -10.728 4.344 1.512 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.967 3.872 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.702 1.807 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.752 3.173 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.312 1.970 2.249 1.00 0.00 H new ATOM 124 N ARG A 297 -9.403 1.986 -0.427 1.00 0.00 N ATOM 125 CA ARG A 297 -9.105 1.119 -1.597 1.00 0.00 C ATOM 126 C ARG A 297 -8.456 1.967 -2.691 1.00 0.00 C ATOM 127 O ARG A 297 -7.662 1.491 -3.476 1.00 0.00 O ATOM 128 CB ARG A 297 -10.407 0.514 -2.121 1.00 0.00 C ATOM 129 CG ARG A 297 -11.236 0.037 -0.936 1.00 0.00 C ATOM 130 CD ARG A 297 -12.438 -0.769 -1.436 1.00 0.00 C ATOM 131 NE ARG A 297 -11.965 -2.047 -2.039 1.00 0.00 N ATOM 132 CZ ARG A 297 -12.811 -3.018 -2.259 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.067 -2.873 -1.940 1.00 0.00 N ATOM 134 NH2 ARG A 297 -12.399 -4.134 -2.797 1.00 0.00 N ATOM 0 H ARG A 297 -10.393 2.180 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.427 0.317 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -10.962 1.254 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -10.194 -0.318 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.624 -0.577 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -11.577 0.891 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.120 -0.975 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -12.995 -0.191 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 297 -10.981 -2.164 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.389 -2.002 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.728 -3.631 -2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -11.416 -4.248 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -13.060 -4.892 -2.969 1.00 0.00 H new ATOM 148 N ARG A 298 -8.787 3.227 -2.746 1.00 0.00 N ATOM 149 CA ARG A 298 -8.182 4.101 -3.781 1.00 0.00 C ATOM 150 C ARG A 298 -6.684 4.184 -3.516 1.00 0.00 C ATOM 151 O ARG A 298 -5.872 3.898 -4.373 1.00 0.00 O ATOM 152 CB ARG A 298 -8.801 5.496 -3.705 1.00 0.00 C ATOM 153 CG ARG A 298 -8.351 6.326 -4.918 1.00 0.00 C ATOM 154 CD ARG A 298 -8.992 5.794 -6.226 1.00 0.00 C ATOM 155 NE ARG A 298 -9.576 6.930 -7.017 1.00 0.00 N ATOM 156 CZ ARG A 298 -10.461 7.740 -6.498 1.00 0.00 C ATOM 157 NH1 ARG A 298 -10.927 7.524 -5.299 1.00 0.00 N ATOM 158 NH2 ARG A 298 -10.899 8.752 -7.194 1.00 0.00 N ATOM 0 H ARG A 298 -9.449 3.685 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.366 3.693 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -9.888 5.422 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.498 5.989 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -8.628 7.370 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -7.265 6.294 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -8.242 5.274 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -9.770 5.068 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 298 -9.275 7.072 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -10.601 6.720 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -11.617 8.159 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -10.551 8.909 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -11.590 9.386 -6.793 1.00 0.00 H new ATOM 172 N ALA A 299 -6.310 4.548 -2.322 1.00 0.00 N ATOM 173 CA ALA A 299 -4.857 4.616 -1.997 1.00 0.00 C ATOM 174 C ALA A 299 -4.230 3.265 -2.343 1.00 0.00 C ATOM 175 O ALA A 299 -3.071 3.171 -2.698 1.00 0.00 O ATOM 176 CB ALA A 299 -4.672 4.905 -0.506 1.00 0.00 C ATOM 0 H ALA A 299 -6.941 4.800 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 299 -4.379 5.413 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -3.608 4.954 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.141 5.857 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.135 4.110 0.079 1.00 0.00 H new ATOM 182 N TRP A 300 -5.011 2.220 -2.261 1.00 0.00 N ATOM 183 CA TRP A 300 -4.503 0.861 -2.596 1.00 0.00 C ATOM 184 C TRP A 300 -4.537 0.673 -4.113 1.00 0.00 C ATOM 185 O TRP A 300 -3.902 -0.213 -4.651 1.00 0.00 O ATOM 186 CB TRP A 300 -5.400 -0.192 -1.945 1.00 0.00 C ATOM 187 CG TRP A 300 -5.425 -0.097 -0.433 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.356 -0.729 0.329 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.544 0.613 0.526 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.102 -0.488 1.660 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.008 0.325 1.839 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.405 1.455 0.416 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.379 0.833 2.974 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -2.778 1.963 1.565 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.262 1.650 2.838 1.00 0.00 C ATOM 0 H TRP A 300 -5.989 2.253 -1.973 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.482 0.753 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.415 -0.083 -2.327 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.055 -1.184 -2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.170 -1.328 -0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.660 -0.868 2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.018 1.707 -0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.758 0.593 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -1.913 2.602 1.464 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -2.769 2.042 3.715 1.00 0.00 H new ATOM 206 N THR A 301 -5.262 1.503 -4.814 1.00 0.00 N ATOM 207 CA THR A 301 -5.319 1.369 -6.299 1.00 0.00 C ATOM 208 C THR A 301 -4.116 2.077 -6.928 1.00 0.00 C ATOM 209 O THR A 301 -3.314 1.478 -7.616 1.00 0.00 O ATOM 210 CB THR A 301 -6.589 2.024 -6.823 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.713 1.523 -6.111 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.740 1.721 -8.315 1.00 0.00 C ATOM 0 H THR A 301 -5.816 2.266 -4.424 1.00 0.00 H new ATOM 0 HA THR A 301 -5.308 0.310 -6.558 1.00 0.00 H new ATOM 0 HB THR A 301 -6.529 3.103 -6.680 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.642 1.776 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.649 2.190 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.879 2.114 -8.855 1.00 0.00 H new ATOM 0 HG23 THR A 301 -6.800 0.643 -8.463 1.00 0.00 H new ATOM 220 N ASP A 302 -4.001 3.359 -6.703 1.00 0.00 N ATOM 221 CA ASP A 302 -2.869 4.129 -7.291 1.00 0.00 C ATOM 222 C ASP A 302 -1.547 3.429 -6.980 1.00 0.00 C ATOM 223 O ASP A 302 -0.684 3.309 -7.828 1.00 0.00 O ATOM 224 CB ASP A 302 -2.849 5.538 -6.695 1.00 0.00 C ATOM 225 CG ASP A 302 -4.142 6.267 -7.067 1.00 0.00 C ATOM 226 OD1 ASP A 302 -5.180 5.894 -6.546 1.00 0.00 O ATOM 227 OD2 ASP A 302 -4.070 7.186 -7.867 1.00 0.00 O ATOM 0 H ASP A 302 -4.646 3.907 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.999 4.188 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -2.748 5.485 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -1.987 6.090 -7.069 1.00 0.00 H new ATOM 232 N VAL A 303 -1.375 2.968 -5.773 1.00 0.00 N ATOM 233 CA VAL A 303 -0.105 2.285 -5.423 1.00 0.00 C ATOM 234 C VAL A 303 -0.070 0.906 -6.090 1.00 0.00 C ATOM 235 O VAL A 303 0.966 0.451 -6.533 1.00 0.00 O ATOM 236 CB VAL A 303 -0.018 2.129 -3.905 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.188 3.494 -3.234 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.120 1.183 -3.428 1.00 0.00 C ATOM 0 H VAL A 303 -2.058 3.035 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 303 0.741 2.876 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 303 0.956 1.718 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.125 3.378 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.600 4.167 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.160 3.911 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.060 1.070 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.093 1.594 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -0.994 0.209 -3.902 1.00 0.00 H new ATOM 248 N ILE A 304 -1.191 0.237 -6.181 1.00 0.00 N ATOM 249 CA ILE A 304 -1.196 -1.107 -6.834 1.00 0.00 C ATOM 250 C ILE A 304 -0.503 -0.984 -8.198 1.00 0.00 C ATOM 251 O ILE A 304 0.241 -1.852 -8.609 1.00 0.00 O ATOM 252 CB ILE A 304 -2.665 -1.598 -6.979 1.00 0.00 C ATOM 253 CG1 ILE A 304 -2.985 -2.621 -5.878 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.916 -2.248 -8.350 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.492 -2.887 -5.837 1.00 0.00 C ATOM 0 H ILE A 304 -2.095 0.559 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.656 -1.839 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.312 -0.725 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.448 -3.551 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.646 -2.247 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.953 -2.578 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.718 -1.522 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.255 -3.106 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.712 -3.613 -5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.020 -1.957 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.818 -3.281 -6.800 1.00 0.00 H new ATOM 267 N GLN A 305 -0.737 0.093 -8.893 1.00 0.00 N ATOM 268 CA GLN A 305 -0.096 0.283 -10.209 1.00 0.00 C ATOM 269 C GLN A 305 1.370 0.666 -9.981 1.00 0.00 C ATOM 270 O GLN A 305 2.222 0.428 -10.815 1.00 0.00 O ATOM 271 CB GLN A 305 -0.854 1.396 -10.945 1.00 0.00 C ATOM 272 CG GLN A 305 -0.022 1.953 -12.095 1.00 0.00 C ATOM 273 CD GLN A 305 0.499 0.806 -12.966 1.00 0.00 C ATOM 274 OE1 GLN A 305 1.693 0.630 -13.110 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.351 0.012 -13.557 1.00 0.00 N ATOM 0 H GLN A 305 -1.351 0.852 -8.598 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.127 -0.625 -10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -1.797 1.007 -11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.100 2.197 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -0.626 2.632 -12.696 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.814 2.532 -11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -1.353 0.158 -13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -0.013 -0.755 -14.139 1.00 0.00 H new ATOM 284 N THR A 306 1.670 1.254 -8.854 1.00 0.00 N ATOM 285 CA THR A 306 3.079 1.649 -8.568 1.00 0.00 C ATOM 286 C THR A 306 3.867 0.424 -8.092 1.00 0.00 C ATOM 287 O THR A 306 4.901 0.095 -8.637 1.00 0.00 O ATOM 288 CB THR A 306 3.092 2.723 -7.474 1.00 0.00 C ATOM 289 OG1 THR A 306 2.066 3.670 -7.732 1.00 0.00 O ATOM 290 CG2 THR A 306 4.448 3.436 -7.444 1.00 0.00 C ATOM 0 H THR A 306 0.999 1.478 -8.119 1.00 0.00 H new ATOM 0 HA THR A 306 3.538 2.045 -9.474 1.00 0.00 H new ATOM 0 HB THR A 306 2.922 2.247 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.193 3.228 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.442 4.196 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.236 2.711 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.632 3.909 -8.409 1.00 0.00 H new ATOM 298 N LEU A 307 3.388 -0.259 -7.081 1.00 0.00 N ATOM 299 CA LEU A 307 4.118 -1.464 -6.579 1.00 0.00 C ATOM 300 C LEU A 307 4.516 -2.339 -7.772 1.00 0.00 C ATOM 301 O LEU A 307 5.620 -2.835 -7.851 1.00 0.00 O ATOM 302 CB LEU A 307 3.203 -2.274 -5.637 1.00 0.00 C ATOM 303 CG LEU A 307 3.326 -1.787 -4.180 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.754 -2.010 -3.639 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.964 -0.300 -4.111 1.00 0.00 C ATOM 0 H LEU A 307 2.526 -0.035 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 307 5.008 -1.149 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.168 -2.184 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.465 -3.331 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 307 2.639 -2.362 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.812 -1.657 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.994 -3.073 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.466 -1.458 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.050 0.048 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.644 0.270 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.940 -0.158 -4.458 1.00 0.00 H new ATOM 317 N ARG A 308 3.617 -2.536 -8.695 1.00 0.00 N ATOM 318 CA ARG A 308 3.941 -3.380 -9.875 1.00 0.00 C ATOM 319 C ARG A 308 5.243 -2.884 -10.511 1.00 0.00 C ATOM 320 O ARG A 308 5.923 -3.612 -11.207 1.00 0.00 O ATOM 321 CB ARG A 308 2.797 -3.297 -10.893 1.00 0.00 C ATOM 322 CG ARG A 308 2.893 -4.474 -11.870 1.00 0.00 C ATOM 323 CD ARG A 308 1.664 -4.490 -12.781 1.00 0.00 C ATOM 324 NE ARG A 308 1.851 -5.513 -13.848 1.00 0.00 N ATOM 325 CZ ARG A 308 0.826 -5.935 -14.537 1.00 0.00 C ATOM 326 NH1 ARG A 308 -0.366 -5.467 -14.286 1.00 0.00 N ATOM 327 NH2 ARG A 308 0.995 -6.828 -15.474 1.00 0.00 N ATOM 0 H ARG A 308 2.673 -2.149 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 308 4.066 -4.417 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.836 -3.316 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.849 -2.354 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 308 3.800 -4.389 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 308 2.961 -5.412 -11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.770 -4.715 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.516 -3.507 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 308 2.781 -5.884 -14.040 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -0.497 -4.771 -13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -1.167 -5.797 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.927 -7.195 -15.667 1.00 0.00 H new ATOM 0 HH22 ARG A 308 0.195 -7.159 -16.013 1.00 0.00 H new ATOM 341 N GLU A 309 5.599 -1.651 -10.268 1.00 0.00 N ATOM 342 CA GLU A 309 6.860 -1.108 -10.848 1.00 0.00 C ATOM 343 C GLU A 309 8.035 -1.530 -9.970 1.00 0.00 C ATOM 344 O GLU A 309 9.122 -0.999 -10.073 1.00 0.00 O ATOM 345 CB GLU A 309 6.789 0.420 -10.880 1.00 0.00 C ATOM 346 CG GLU A 309 5.528 0.857 -11.619 1.00 0.00 C ATOM 347 CD GLU A 309 5.623 0.429 -13.086 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.731 0.368 -13.595 1.00 0.00 O ATOM 349 OE2 GLU A 309 4.587 0.169 -13.675 1.00 0.00 O ATOM 0 H GLU A 309 5.070 -0.996 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 309 6.992 -1.492 -11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.783 0.815 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 309 7.672 0.825 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 309 4.648 0.411 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.410 1.938 -11.551 1.00 0.00 H new ATOM 356 N HIS A 310 7.813 -2.474 -9.092 1.00 0.00 N ATOM 357 CA HIS A 310 8.901 -2.938 -8.176 1.00 0.00 C ATOM 358 C HIS A 310 8.957 -4.475 -8.208 1.00 0.00 C ATOM 359 O HIS A 310 8.542 -5.100 -9.163 1.00 0.00 O ATOM 360 CB HIS A 310 8.549 -2.428 -6.749 1.00 0.00 C ATOM 361 CG HIS A 310 9.478 -1.322 -6.337 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.698 -1.576 -5.740 1.00 0.00 N ATOM 363 CD2 HIS A 310 9.371 0.043 -6.419 1.00 0.00 C ATOM 364 CE1 HIS A 310 11.275 -0.392 -5.483 1.00 0.00 C ATOM 365 NE2 HIS A 310 10.509 0.630 -5.876 1.00 0.00 N ATOM 0 H HIS A 310 6.918 -2.948 -8.969 1.00 0.00 H new ATOM 0 HA HIS A 310 9.876 -2.554 -8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 310 7.519 -2.071 -6.728 1.00 0.00 H new ATOM 0 HB3 HIS A 310 8.616 -3.250 -6.037 1.00 0.00 H new ATOM 0 HD1 HIS A 310 11.089 -2.495 -5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 310 8.533 0.579 -6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 310 12.242 -0.279 -5.015 1.00 0.00 H new ATOM 373 N LYS A 311 9.440 -5.079 -7.150 1.00 0.00 N ATOM 374 CA LYS A 311 9.501 -6.571 -7.071 1.00 0.00 C ATOM 375 C LYS A 311 8.532 -7.009 -5.985 1.00 0.00 C ATOM 376 O LYS A 311 8.372 -8.181 -5.703 1.00 0.00 O ATOM 377 CB LYS A 311 10.921 -7.010 -6.705 1.00 0.00 C ATOM 378 CG LYS A 311 11.397 -6.225 -5.481 1.00 0.00 C ATOM 379 CD LYS A 311 12.820 -6.654 -5.119 1.00 0.00 C ATOM 380 CE LYS A 311 13.265 -5.927 -3.848 1.00 0.00 C ATOM 381 NZ LYS A 311 12.965 -4.472 -3.977 1.00 0.00 N ATOM 0 H LYS A 311 9.799 -4.595 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 311 9.236 -7.020 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.940 -8.079 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.594 -6.838 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.371 -5.155 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 311 10.727 -6.402 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 311 12.858 -7.733 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.500 -6.424 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 311 12.750 -6.340 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.332 -6.076 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 13.572 -3.933 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 13.147 -4.165 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.967 -4.301 -3.741 1.00 0.00 H new ATOM 395 N CYS A 312 7.870 -6.060 -5.383 1.00 0.00 N ATOM 396 CA CYS A 312 6.884 -6.376 -4.317 1.00 0.00 C ATOM 397 C CYS A 312 5.506 -6.481 -4.952 1.00 0.00 C ATOM 398 O CYS A 312 4.924 -5.503 -5.380 1.00 0.00 O ATOM 399 CB CYS A 312 6.893 -5.260 -3.278 1.00 0.00 C ATOM 400 SG CYS A 312 5.384 -5.314 -2.277 1.00 0.00 S ATOM 0 H CYS A 312 7.973 -5.066 -5.589 1.00 0.00 H new ATOM 0 HA CYS A 312 7.138 -7.317 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 312 7.767 -5.361 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.973 -4.293 -3.775 1.00 0.00 H new ATOM 0 HG CYS A 312 5.118 -4.123 -1.829 1.00 0.00 H new ATOM 406 N GLN A 313 4.989 -7.661 -5.020 1.00 0.00 N ATOM 407 CA GLN A 313 3.648 -7.854 -5.635 1.00 0.00 C ATOM 408 C GLN A 313 2.567 -7.295 -4.688 1.00 0.00 C ATOM 409 O GLN A 313 2.499 -7.706 -3.550 1.00 0.00 O ATOM 410 CB GLN A 313 3.403 -9.350 -5.852 1.00 0.00 C ATOM 411 CG GLN A 313 4.296 -9.855 -6.988 1.00 0.00 C ATOM 412 CD GLN A 313 3.946 -11.311 -7.306 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.321 -11.985 -6.512 1.00 0.00 O ATOM 414 NE2 GLN A 313 4.327 -11.827 -8.443 1.00 0.00 N ATOM 0 H GLN A 313 5.434 -8.512 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 313 3.605 -7.331 -6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.616 -9.901 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.355 -9.526 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.160 -9.235 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.345 -9.776 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 313 4.852 -11.261 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 313 4.100 -12.796 -8.665 1.00 0.00 H new ATOM 423 N PRO A 314 1.727 -6.368 -5.132 1.00 0.00 N ATOM 424 CA PRO A 314 0.646 -5.781 -4.274 1.00 0.00 C ATOM 425 C PRO A 314 -0.634 -6.628 -4.275 1.00 0.00 C ATOM 426 O PRO A 314 -1.024 -7.173 -5.288 1.00 0.00 O ATOM 427 CB PRO A 314 0.381 -4.439 -4.948 1.00 0.00 C ATOM 428 CG PRO A 314 0.574 -4.723 -6.402 1.00 0.00 C ATOM 429 CD PRO A 314 1.704 -5.762 -6.482 1.00 0.00 C ATOM 0 HA PRO A 314 0.942 -5.716 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.627 -4.080 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.071 -3.672 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.342 -5.107 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.838 -3.816 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.507 -6.508 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.658 -5.296 -6.727 1.00 0.00 H new ATOM 437 N ARG A 315 -1.297 -6.739 -3.147 1.00 0.00 N ATOM 438 CA ARG A 315 -2.556 -7.549 -3.084 1.00 0.00 C ATOM 439 C ARG A 315 -3.556 -6.850 -2.151 1.00 0.00 C ATOM 440 O ARG A 315 -3.260 -6.598 -1.001 1.00 0.00 O ATOM 441 CB ARG A 315 -2.261 -8.971 -2.541 1.00 0.00 C ATOM 442 CG ARG A 315 -0.823 -9.415 -2.885 1.00 0.00 C ATOM 443 CD ARG A 315 0.213 -8.771 -1.928 1.00 0.00 C ATOM 444 NE ARG A 315 1.398 -9.684 -1.770 1.00 0.00 N ATOM 445 CZ ARG A 315 1.277 -10.898 -1.301 1.00 0.00 C ATOM 446 NH1 ARG A 315 0.134 -11.310 -0.823 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.314 -11.690 -1.276 1.00 0.00 N ATOM 0 H ARG A 315 -1.020 -6.303 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.972 -7.635 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.400 -8.986 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.974 -9.679 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.751 -10.501 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.592 -9.138 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.535 -7.807 -2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.244 -8.582 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 315 2.323 -9.346 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -0.671 -10.683 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 315 0.046 -12.259 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 315 3.215 -11.361 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.223 -12.638 -0.911 1.00 0.00 H new ATOM 461 N LEU A 316 -4.738 -6.540 -2.626 1.00 0.00 N ATOM 462 CA LEU A 316 -5.736 -5.872 -1.753 1.00 0.00 C ATOM 463 C LEU A 316 -6.471 -6.939 -0.936 1.00 0.00 C ATOM 464 O LEU A 316 -7.158 -7.791 -1.466 1.00 0.00 O ATOM 465 CB LEU A 316 -6.728 -5.096 -2.630 1.00 0.00 C ATOM 466 CG LEU A 316 -7.318 -3.909 -1.861 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.180 -3.072 -2.810 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.176 -4.419 -0.707 1.00 0.00 C ATOM 0 H LEU A 316 -5.049 -6.723 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.243 -5.176 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.225 -4.739 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.529 -5.759 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.510 -3.295 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.602 -2.226 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.565 -2.706 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.987 -3.688 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.594 -3.572 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.986 -5.033 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.562 -5.016 -0.033 1.00 0.00 H new ATOM 480 N LEU A 317 -6.327 -6.881 0.351 1.00 0.00 N ATOM 481 CA LEU A 317 -7.004 -7.866 1.252 1.00 0.00 C ATOM 482 C LEU A 317 -8.334 -7.255 1.686 1.00 0.00 C ATOM 483 O LEU A 317 -8.863 -6.440 0.970 1.00 0.00 O ATOM 484 CB LEU A 317 -6.109 -8.130 2.474 1.00 0.00 C ATOM 485 CG LEU A 317 -4.946 -9.063 2.093 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.468 -10.472 1.743 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.192 -8.479 0.894 1.00 0.00 C ATOM 0 H LEU A 317 -5.760 -6.183 0.833 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.178 -8.813 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.718 -7.188 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.697 -8.579 3.274 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.272 -9.146 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.629 -11.115 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -5.988 -10.892 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.156 -10.406 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.368 -9.140 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.872 -8.384 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.798 -7.497 1.155 1.00 0.00 H new ATOM 499 N TYR A 318 -8.862 -7.646 2.842 1.00 0.00 N ATOM 500 CA TYR A 318 -10.173 -7.100 3.376 1.00 0.00 C ATOM 501 C TYR A 318 -10.613 -5.844 2.596 1.00 0.00 C ATOM 502 O TYR A 318 -9.772 -5.060 2.222 1.00 0.00 O ATOM 503 CB TYR A 318 -9.952 -6.725 4.857 1.00 0.00 C ATOM 504 CG TYR A 318 -11.222 -6.905 5.653 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.610 -8.183 6.065 1.00 0.00 C ATOM 506 CD2 TYR A 318 -12.013 -5.794 5.972 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.789 -8.353 6.799 1.00 0.00 C ATOM 508 CE2 TYR A 318 -13.193 -5.962 6.704 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.582 -7.243 7.119 1.00 0.00 C ATOM 510 OH TYR A 318 -14.745 -7.409 7.842 1.00 0.00 O ATOM 0 H TYR A 318 -8.426 -8.338 3.451 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.953 -7.853 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.162 -7.346 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.617 -5.690 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -11.000 -9.039 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.712 -4.807 5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -13.088 -9.340 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.804 -5.106 6.949 1.00 0.00 H new ATOM 0 HH TYR A 318 -15.173 -6.538 7.978 1.00 0.00 H new ATOM 520 N PRO A 319 -11.900 -5.648 2.349 1.00 0.00 N ATOM 521 CA PRO A 319 -12.421 -4.477 1.594 1.00 0.00 C ATOM 522 C PRO A 319 -11.486 -3.264 1.596 1.00 0.00 C ATOM 523 O PRO A 319 -11.493 -2.476 0.676 1.00 0.00 O ATOM 524 CB PRO A 319 -13.728 -4.197 2.315 1.00 0.00 C ATOM 525 CG PRO A 319 -14.261 -5.566 2.635 1.00 0.00 C ATOM 526 CD PRO A 319 -13.033 -6.503 2.759 1.00 0.00 C ATOM 0 HA PRO A 319 -12.529 -4.682 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.568 -3.609 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.419 -3.635 1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.832 -5.552 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.935 -5.912 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.910 -6.870 3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.129 -7.377 2.115 1.00 0.00 H new ATOM 534 N ALA A 320 -10.651 -3.124 2.594 1.00 0.00 N ATOM 535 CA ALA A 320 -9.690 -1.982 2.607 1.00 0.00 C ATOM 536 C ALA A 320 -8.388 -2.378 3.321 1.00 0.00 C ATOM 537 O ALA A 320 -7.891 -1.637 4.147 1.00 0.00 O ATOM 538 CB ALA A 320 -10.313 -0.788 3.322 1.00 0.00 C ATOM 0 H ALA A 320 -10.594 -3.749 3.398 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.461 -1.715 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.606 0.042 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.222 -0.487 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.556 -1.065 4.348 1.00 0.00 H new ATOM 544 N LYS A 321 -7.812 -3.521 2.999 1.00 0.00 N ATOM 545 CA LYS A 321 -6.517 -3.928 3.658 1.00 0.00 C ATOM 546 C LYS A 321 -5.490 -4.215 2.559 1.00 0.00 C ATOM 547 O LYS A 321 -5.749 -4.980 1.657 1.00 0.00 O ATOM 548 CB LYS A 321 -6.740 -5.185 4.519 1.00 0.00 C ATOM 549 CG LYS A 321 -7.277 -4.784 5.910 1.00 0.00 C ATOM 550 CD LYS A 321 -6.114 -4.383 6.847 1.00 0.00 C ATOM 551 CE LYS A 321 -5.615 -5.606 7.631 1.00 0.00 C ATOM 552 NZ LYS A 321 -4.216 -5.370 8.088 1.00 0.00 N ATOM 0 H LYS A 321 -8.178 -4.184 2.316 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.155 -3.129 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.446 -5.853 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.804 -5.734 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.975 -3.952 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.832 -5.615 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.297 -3.959 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.446 -3.609 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.262 -5.790 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.658 -6.496 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -3.628 -6.193 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -3.836 -4.523 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.206 -5.230 9.118 1.00 0.00 H new ATOM 566 N LEU A 322 -4.337 -3.580 2.608 1.00 0.00 N ATOM 567 CA LEU A 322 -3.303 -3.788 1.534 1.00 0.00 C ATOM 568 C LEU A 322 -2.033 -4.412 2.113 1.00 0.00 C ATOM 569 O LEU A 322 -1.361 -3.828 2.941 1.00 0.00 O ATOM 570 CB LEU A 322 -2.975 -2.415 0.930 1.00 0.00 C ATOM 571 CG LEU A 322 -2.287 -2.536 -0.447 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.960 -3.294 -0.323 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.206 -3.248 -1.458 1.00 0.00 C ATOM 0 H LEU A 322 -4.067 -2.927 3.344 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.691 -4.466 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.893 -1.836 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.326 -1.865 1.612 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.084 -1.528 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.491 -3.369 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.297 -2.758 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.148 -4.295 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.700 -3.322 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.441 -4.248 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.128 -2.679 -1.575 1.00 0.00 H new ATOM 585 N SER A 323 -1.688 -5.594 1.657 1.00 0.00 N ATOM 586 CA SER A 323 -0.447 -6.273 2.141 1.00 0.00 C ATOM 587 C SER A 323 0.625 -6.181 1.054 1.00 0.00 C ATOM 588 O SER A 323 0.358 -6.392 -0.115 1.00 0.00 O ATOM 589 CB SER A 323 -0.746 -7.743 2.443 1.00 0.00 C ATOM 590 OG SER A 323 -0.982 -8.434 1.229 1.00 0.00 O ATOM 0 H SER A 323 -2.220 -6.120 0.964 1.00 0.00 H new ATOM 0 HA SER A 323 -0.094 -5.788 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 323 0.092 -8.194 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.616 -7.822 3.095 1.00 0.00 H new ATOM 0 HG SER A 323 -1.172 -9.376 1.420 1.00 0.00 H new ATOM 596 N ILE A 324 1.836 -5.853 1.437 1.00 0.00 N ATOM 597 CA ILE A 324 2.954 -5.724 0.444 1.00 0.00 C ATOM 598 C ILE A 324 4.061 -6.736 0.778 1.00 0.00 C ATOM 599 O ILE A 324 4.284 -7.083 1.921 1.00 0.00 O ATOM 600 CB ILE A 324 3.531 -4.288 0.491 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.402 -3.694 1.903 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.772 -3.384 -0.485 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.178 -4.539 2.917 1.00 0.00 C ATOM 0 H ILE A 324 2.102 -5.667 2.404 1.00 0.00 H new ATOM 0 HA ILE A 324 2.571 -5.925 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 324 4.584 -4.342 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.780 -2.672 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.351 -3.647 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 324 3.186 -2.376 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.872 -3.776 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.718 -3.355 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.074 -4.102 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 324 3.781 -5.554 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.232 -4.563 2.640 1.00 0.00 H new ATOM 615 N THR A 325 4.758 -7.207 -0.227 1.00 0.00 N ATOM 616 CA THR A 325 5.860 -8.190 0.000 1.00 0.00 C ATOM 617 C THR A 325 7.203 -7.463 -0.083 1.00 0.00 C ATOM 618 O THR A 325 7.677 -7.155 -1.154 1.00 0.00 O ATOM 619 CB THR A 325 5.801 -9.278 -1.082 1.00 0.00 C ATOM 620 OG1 THR A 325 4.665 -10.102 -0.856 1.00 0.00 O ATOM 621 CG2 THR A 325 7.072 -10.135 -1.028 1.00 0.00 C ATOM 0 H THR A 325 4.608 -6.950 -1.203 1.00 0.00 H new ATOM 0 HA THR A 325 5.750 -8.648 0.983 1.00 0.00 H new ATOM 0 HB THR A 325 5.727 -8.809 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.955 -11.027 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.024 -10.905 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 325 7.944 -9.504 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.152 -10.606 -0.048 1.00 0.00 H new ATOM 629 N ILE A 326 7.825 -7.200 1.038 1.00 0.00 N ATOM 630 CA ILE A 326 9.147 -6.500 1.029 1.00 0.00 C ATOM 631 C ILE A 326 10.118 -7.255 1.937 1.00 0.00 C ATOM 632 O ILE A 326 9.737 -7.802 2.952 1.00 0.00 O ATOM 633 CB ILE A 326 8.969 -5.067 1.537 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.156 -4.269 0.510 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.343 -4.415 1.723 1.00 0.00 C ATOM 636 CD1 ILE A 326 7.799 -2.896 1.085 1.00 0.00 C ATOM 0 H ILE A 326 7.473 -7.441 1.964 1.00 0.00 H new ATOM 0 HA ILE A 326 9.544 -6.472 0.014 1.00 0.00 H new ATOM 0 HB ILE A 326 8.445 -5.078 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.730 -4.150 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.247 -4.812 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.216 -3.395 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 326 10.922 -4.987 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.870 -4.399 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.222 -2.333 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.208 -3.024 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.713 -2.352 1.322 1.00 0.00 H new ATOM 648 N ASP A 327 11.368 -7.294 1.566 1.00 0.00 N ATOM 649 CA ASP A 327 12.379 -8.017 2.389 1.00 0.00 C ATOM 650 C ASP A 327 11.821 -9.372 2.822 1.00 0.00 C ATOM 651 O ASP A 327 12.202 -9.921 3.836 1.00 0.00 O ATOM 652 CB ASP A 327 12.732 -7.187 3.624 1.00 0.00 C ATOM 653 CG ASP A 327 13.499 -5.934 3.196 1.00 0.00 C ATOM 654 OD1 ASP A 327 14.112 -5.970 2.141 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.461 -4.960 3.930 1.00 0.00 O ATOM 0 H ASP A 327 11.735 -6.853 0.723 1.00 0.00 H new ATOM 0 HA ASP A 327 13.278 -8.173 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 327 11.824 -6.906 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.336 -7.778 4.312 1.00 0.00 H new ATOM 660 N GLY A 328 10.921 -9.915 2.053 1.00 0.00 N ATOM 661 CA GLY A 328 10.332 -11.238 2.405 1.00 0.00 C ATOM 662 C GLY A 328 9.241 -11.057 3.461 1.00 0.00 C ATOM 663 O GLY A 328 8.148 -11.569 3.328 1.00 0.00 O ATOM 0 H GLY A 328 10.566 -9.499 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.914 -11.708 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.109 -11.903 2.782 1.00 0.00 H new ATOM 667 N GLU A 329 9.526 -10.338 4.514 1.00 0.00 N ATOM 668 CA GLU A 329 8.495 -10.142 5.571 1.00 0.00 C ATOM 669 C GLU A 329 7.339 -9.320 5.008 1.00 0.00 C ATOM 670 O GLU A 329 7.509 -8.211 4.540 1.00 0.00 O ATOM 671 CB GLU A 329 9.117 -9.422 6.782 1.00 0.00 C ATOM 672 CG GLU A 329 9.709 -10.449 7.752 1.00 0.00 C ATOM 673 CD GLU A 329 10.920 -11.123 7.106 1.00 0.00 C ATOM 674 OE1 GLU A 329 11.834 -10.413 6.721 1.00 0.00 O ATOM 675 OE2 GLU A 329 10.914 -12.339 7.008 1.00 0.00 O ATOM 0 H GLU A 329 10.422 -9.881 4.686 1.00 0.00 H new ATOM 0 HA GLU A 329 8.119 -11.112 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 329 9.894 -8.735 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.360 -8.824 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 329 10.004 -9.960 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.958 -11.196 8.010 1.00 0.00 H new ATOM 682 N THR A 330 6.160 -9.868 5.060 1.00 0.00 N ATOM 683 CA THR A 330 4.960 -9.148 4.540 1.00 0.00 C ATOM 684 C THR A 330 4.321 -8.330 5.663 1.00 0.00 C ATOM 685 O THR A 330 4.186 -8.793 6.779 1.00 0.00 O ATOM 686 CB THR A 330 3.945 -10.168 4.018 1.00 0.00 C ATOM 687 OG1 THR A 330 4.603 -11.098 3.169 1.00 0.00 O ATOM 688 CG2 THR A 330 2.847 -9.448 3.232 1.00 0.00 C ATOM 0 H THR A 330 5.971 -10.794 5.444 1.00 0.00 H new ATOM 0 HA THR A 330 5.262 -8.480 3.733 1.00 0.00 H new ATOM 0 HB THR A 330 3.498 -10.696 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.954 -11.753 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.126 -10.177 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.341 -8.736 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.291 -8.917 2.390 1.00 0.00 H new ATOM 696 N LYS A 331 3.902 -7.125 5.366 1.00 0.00 N ATOM 697 CA LYS A 331 3.236 -6.264 6.394 1.00 0.00 C ATOM 698 C LYS A 331 1.921 -5.771 5.789 1.00 0.00 C ATOM 699 O LYS A 331 1.655 -6.003 4.627 1.00 0.00 O ATOM 700 CB LYS A 331 4.143 -5.069 6.755 1.00 0.00 C ATOM 701 CG LYS A 331 3.862 -4.604 8.206 1.00 0.00 C ATOM 702 CD LYS A 331 4.054 -3.090 8.322 1.00 0.00 C ATOM 703 CE LYS A 331 3.963 -2.666 9.791 1.00 0.00 C ATOM 704 NZ LYS A 331 4.912 -3.475 10.606 1.00 0.00 N ATOM 0 H LYS A 331 3.994 -6.696 4.445 1.00 0.00 H new ATOM 0 HA LYS A 331 3.050 -6.827 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.190 -5.354 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.967 -4.247 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 331 2.845 -4.872 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.532 -5.117 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 331 5.022 -2.805 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 331 3.294 -2.572 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.197 -1.606 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 331 2.945 -2.803 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 5.184 -2.940 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 4.455 -4.365 10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.761 -3.686 10.043 1.00 0.00 H new ATOM 718 N VAL A 332 1.086 -5.107 6.550 1.00 0.00 N ATOM 719 CA VAL A 332 -0.211 -4.638 5.978 1.00 0.00 C ATOM 720 C VAL A 332 -0.618 -3.295 6.585 1.00 0.00 C ATOM 721 O VAL A 332 -0.140 -2.895 7.628 1.00 0.00 O ATOM 722 CB VAL A 332 -1.293 -5.689 6.262 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.425 -5.547 5.245 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.699 -7.095 6.136 1.00 0.00 C ATOM 0 H VAL A 332 1.244 -4.872 7.530 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.097 -4.504 4.902 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.674 -5.537 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.192 -6.294 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.860 -4.550 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -2.031 -5.695 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.472 -7.836 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.315 -7.238 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.113 -7.212 6.853 1.00 0.00 H new ATOM 734 N PHE A 333 -1.504 -2.594 5.920 1.00 0.00 N ATOM 735 CA PHE A 333 -1.963 -1.267 6.423 1.00 0.00 C ATOM 736 C PHE A 333 -3.469 -1.125 6.199 1.00 0.00 C ATOM 737 O PHE A 333 -3.975 -1.391 5.127 1.00 0.00 O ATOM 738 CB PHE A 333 -1.230 -0.170 5.655 1.00 0.00 C ATOM 739 CG PHE A 333 0.249 -0.465 5.671 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.023 -0.080 6.769 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.843 -1.126 4.592 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.394 -0.355 6.789 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.215 -1.402 4.611 1.00 0.00 C ATOM 744 CZ PHE A 333 2.991 -1.016 5.710 1.00 0.00 C ATOM 0 H PHE A 333 -1.931 -2.890 5.042 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.750 -1.182 7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.593 -0.122 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.425 0.802 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.562 0.430 7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.244 -1.424 3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.992 -0.057 7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.675 -1.913 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.050 -1.228 5.725 1.00 0.00 H new ATOM 754 N HIS A 334 -4.190 -0.704 7.206 1.00 0.00 N ATOM 755 CA HIS A 334 -5.666 -0.539 7.060 1.00 0.00 C ATOM 756 C HIS A 334 -5.970 0.894 6.609 1.00 0.00 C ATOM 757 O HIS A 334 -6.808 1.124 5.760 1.00 0.00 O ATOM 758 CB HIS A 334 -6.339 -0.815 8.411 1.00 0.00 C ATOM 759 CG HIS A 334 -7.801 -1.120 8.210 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.319 -1.508 6.983 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.866 -1.102 9.076 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.640 -1.705 7.145 1.00 0.00 C ATOM 763 NE2 HIS A 334 -10.026 -1.471 8.401 1.00 0.00 N ATOM 0 H HIS A 334 -3.818 -0.467 8.126 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.048 -1.239 6.317 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.849 -1.654 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.227 0.050 9.065 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -7.794 -1.623 6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.812 -0.841 10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.307 -2.015 6.354 1.00 0.00 H new ATOM 771 N ASP A 335 -5.287 1.861 7.168 1.00 0.00 N ATOM 772 CA ASP A 335 -5.524 3.284 6.774 1.00 0.00 C ATOM 773 C ASP A 335 -4.477 3.700 5.736 1.00 0.00 C ATOM 774 O ASP A 335 -3.395 3.151 5.682 1.00 0.00 O ATOM 775 CB ASP A 335 -5.399 4.182 8.007 1.00 0.00 C ATOM 776 CG ASP A 335 -5.882 5.592 7.663 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.720 5.713 6.785 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.405 6.528 8.285 1.00 0.00 O ATOM 0 H ASP A 335 -4.572 1.726 7.883 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.523 3.385 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.989 3.774 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.363 4.213 8.344 1.00 0.00 H new ATOM 783 N LYS A 336 -4.791 4.662 4.912 1.00 0.00 N ATOM 784 CA LYS A 336 -3.813 5.108 3.876 1.00 0.00 C ATOM 785 C LYS A 336 -2.676 5.885 4.538 1.00 0.00 C ATOM 786 O LYS A 336 -1.583 5.970 4.014 1.00 0.00 O ATOM 787 CB LYS A 336 -4.524 6.008 2.861 1.00 0.00 C ATOM 788 CG LYS A 336 -5.347 7.077 3.600 1.00 0.00 C ATOM 789 CD LYS A 336 -5.647 8.267 2.660 1.00 0.00 C ATOM 790 CE LYS A 336 -4.562 9.346 2.798 1.00 0.00 C ATOM 791 NZ LYS A 336 -3.224 8.702 2.917 1.00 0.00 N ATOM 0 H LYS A 336 -5.682 5.159 4.910 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.402 4.236 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.792 6.485 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.176 5.410 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.281 6.644 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.800 7.426 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.695 7.920 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.622 8.691 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -4.582 10.008 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -4.759 9.963 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -2.486 9.434 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.179 8.156 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.072 8.066 2.108 1.00 0.00 H new ATOM 805 N THR A 337 -2.922 6.455 5.684 1.00 0.00 N ATOM 806 CA THR A 337 -1.853 7.227 6.373 1.00 0.00 C ATOM 807 C THR A 337 -0.742 6.280 6.815 1.00 0.00 C ATOM 808 O THR A 337 0.418 6.482 6.518 1.00 0.00 O ATOM 809 CB THR A 337 -2.432 7.914 7.610 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.427 8.846 7.212 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.313 8.640 8.358 1.00 0.00 C ATOM 0 H THR A 337 -3.817 6.419 6.173 1.00 0.00 H new ATOM 0 HA THR A 337 -1.454 7.973 5.686 1.00 0.00 H new ATOM 0 HB THR A 337 -2.880 7.168 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.800 9.285 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.724 9.131 9.240 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.553 7.921 8.663 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.863 9.387 7.704 1.00 0.00 H new ATOM 819 N LYS A 338 -1.089 5.252 7.538 1.00 0.00 N ATOM 820 CA LYS A 338 -0.058 4.297 8.019 1.00 0.00 C ATOM 821 C LYS A 338 0.871 3.920 6.857 1.00 0.00 C ATOM 822 O LYS A 338 2.071 3.833 7.020 1.00 0.00 O ATOM 823 CB LYS A 338 -0.771 3.055 8.580 1.00 0.00 C ATOM 824 CG LYS A 338 0.035 2.433 9.728 1.00 0.00 C ATOM 825 CD LYS A 338 -0.851 1.425 10.455 1.00 0.00 C ATOM 826 CE LYS A 338 -0.090 0.831 11.641 1.00 0.00 C ATOM 827 NZ LYS A 338 1.295 0.481 11.218 1.00 0.00 N ATOM 0 H LYS A 338 -2.046 5.033 7.816 1.00 0.00 H new ATOM 0 HA LYS A 338 0.548 4.747 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.764 3.330 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -0.908 2.320 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.928 1.942 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.371 3.208 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.763 1.911 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.154 0.632 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.061 1.546 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -0.604 -0.057 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 1.672 -0.260 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 1.281 0.133 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 1.900 1.325 11.278 1.00 0.00 H new ATOM 841 N PHE A 339 0.333 3.717 5.683 1.00 0.00 N ATOM 842 CA PHE A 339 1.209 3.374 4.527 1.00 0.00 C ATOM 843 C PHE A 339 2.171 4.536 4.289 1.00 0.00 C ATOM 844 O PHE A 339 3.370 4.396 4.393 1.00 0.00 O ATOM 845 CB PHE A 339 0.369 3.143 3.269 1.00 0.00 C ATOM 846 CG PHE A 339 1.280 2.714 2.139 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.744 1.395 2.077 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.666 3.637 1.160 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.595 0.998 1.037 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.515 3.241 0.119 1.00 0.00 C ATOM 851 CZ PHE A 339 2.982 1.919 0.058 1.00 0.00 C ATOM 0 H PHE A 339 -0.664 3.773 5.477 1.00 0.00 H new ATOM 0 HA PHE A 339 1.760 2.460 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.385 2.378 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.162 4.056 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.446 0.682 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.309 4.655 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.952 -0.020 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.810 3.953 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.639 1.613 -0.743 1.00 0.00 H new ATOM 861 N THR A 340 1.651 5.693 3.981 1.00 0.00 N ATOM 862 CA THR A 340 2.537 6.873 3.751 1.00 0.00 C ATOM 863 C THR A 340 3.589 6.942 4.864 1.00 0.00 C ATOM 864 O THR A 340 4.742 7.238 4.626 1.00 0.00 O ATOM 865 CB THR A 340 1.697 8.153 3.759 1.00 0.00 C ATOM 866 OG1 THR A 340 0.635 8.026 2.824 1.00 0.00 O ATOM 867 CG2 THR A 340 2.574 9.347 3.378 1.00 0.00 C ATOM 0 H THR A 340 0.652 5.873 3.878 1.00 0.00 H new ATOM 0 HA THR A 340 3.034 6.774 2.786 1.00 0.00 H new ATOM 0 HB THR A 340 1.288 8.311 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 340 0.095 8.844 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.973 10.256 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.388 9.445 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.987 9.192 2.381 1.00 0.00 H new ATOM 875 N GLN A 341 3.200 6.651 6.077 1.00 0.00 N ATOM 876 CA GLN A 341 4.177 6.678 7.203 1.00 0.00 C ATOM 877 C GLN A 341 5.165 5.533 7.019 1.00 0.00 C ATOM 878 O GLN A 341 6.357 5.709 7.159 1.00 0.00 O ATOM 879 CB GLN A 341 3.436 6.525 8.533 1.00 0.00 C ATOM 880 CG GLN A 341 2.536 7.745 8.751 1.00 0.00 C ATOM 881 CD GLN A 341 2.003 7.750 10.187 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.184 8.577 10.538 1.00 0.00 O ATOM 883 NE2 GLN A 341 2.432 6.857 11.038 1.00 0.00 N ATOM 0 H GLN A 341 2.247 6.396 6.336 1.00 0.00 H new ATOM 0 HA GLN A 341 4.713 7.627 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.838 5.614 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.149 6.433 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 341 3.096 8.660 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.705 7.726 8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 341 3.119 6.162 10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 341 2.080 6.854 11.995 1.00 0.00 H new ATOM 892 N TYR A 342 4.687 4.364 6.679 1.00 0.00 N ATOM 893 CA TYR A 342 5.621 3.221 6.462 1.00 0.00 C ATOM 894 C TYR A 342 6.731 3.686 5.519 1.00 0.00 C ATOM 895 O TYR A 342 7.885 3.340 5.667 1.00 0.00 O ATOM 896 CB TYR A 342 4.872 2.041 5.833 1.00 0.00 C ATOM 897 CG TYR A 342 5.867 1.003 5.365 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.677 0.356 6.299 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.980 0.696 4.004 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.603 -0.606 5.877 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.906 -0.265 3.579 1.00 0.00 C ATOM 902 CZ TYR A 342 7.718 -0.916 4.516 1.00 0.00 C ATOM 903 OH TYR A 342 8.630 -1.865 4.099 1.00 0.00 O ATOM 0 H TYR A 342 3.698 4.153 6.543 1.00 0.00 H new ATOM 0 HA TYR A 342 6.041 2.897 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.188 1.602 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.268 2.386 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.590 0.597 7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.354 1.200 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.228 -1.108 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.994 -0.504 2.529 1.00 0.00 H new ATOM 0 HH TYR A 342 8.756 -2.531 4.807 1.00 0.00 H new ATOM 913 N LEU A 343 6.379 4.477 4.549 1.00 0.00 N ATOM 914 CA LEU A 343 7.401 4.988 3.598 1.00 0.00 C ATOM 915 C LEU A 343 8.131 6.160 4.238 1.00 0.00 C ATOM 916 O LEU A 343 9.336 6.279 4.133 1.00 0.00 O ATOM 917 CB LEU A 343 6.735 5.458 2.307 1.00 0.00 C ATOM 918 CG LEU A 343 6.008 4.294 1.621 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.430 4.791 0.295 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.992 3.146 1.346 1.00 0.00 C ATOM 0 H LEU A 343 5.425 4.793 4.373 1.00 0.00 H new ATOM 0 HA LEU A 343 8.103 4.188 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.027 6.257 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.486 5.873 1.634 1.00 0.00 H new ATOM 0 HG LEU A 343 5.211 3.930 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.910 3.974 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.730 5.604 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.238 5.150 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.466 2.325 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.792 3.500 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.417 2.797 2.287 1.00 0.00 H new ATOM 932 N SER A 344 7.422 7.024 4.913 1.00 0.00 N ATOM 933 CA SER A 344 8.099 8.174 5.569 1.00 0.00 C ATOM 934 C SER A 344 9.280 7.636 6.371 1.00 0.00 C ATOM 935 O SER A 344 10.259 8.319 6.599 1.00 0.00 O ATOM 936 CB SER A 344 7.118 8.882 6.505 1.00 0.00 C ATOM 937 OG SER A 344 7.652 10.146 6.874 1.00 0.00 O ATOM 0 H SER A 344 6.410 6.982 5.037 1.00 0.00 H new ATOM 0 HA SER A 344 8.446 8.887 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.155 9.011 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.942 8.275 7.393 1.00 0.00 H new ATOM 0 HG SER A 344 7.025 10.604 7.473 1.00 0.00 H new ATOM 943 N THR A 345 9.191 6.394 6.788 1.00 0.00 N ATOM 944 CA THR A 345 10.298 5.767 7.566 1.00 0.00 C ATOM 945 C THR A 345 11.111 4.846 6.642 1.00 0.00 C ATOM 946 O THR A 345 12.088 4.251 7.051 1.00 0.00 O ATOM 947 CB THR A 345 9.709 4.988 8.755 1.00 0.00 C ATOM 948 OG1 THR A 345 10.765 4.514 9.578 1.00 0.00 O ATOM 949 CG2 THR A 345 8.864 3.803 8.282 1.00 0.00 C ATOM 0 H THR A 345 8.390 5.786 6.619 1.00 0.00 H new ATOM 0 HA THR A 345 10.966 6.534 7.958 1.00 0.00 H new ATOM 0 HB THR A 345 9.065 5.663 9.319 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.555 4.335 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.463 3.274 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.042 4.166 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.485 3.124 7.697 1.00 0.00 H new ATOM 957 N ASN A 346 10.719 4.736 5.388 1.00 0.00 N ATOM 958 CA ASN A 346 11.469 3.868 4.421 1.00 0.00 C ATOM 959 C ASN A 346 11.624 4.634 3.100 1.00 0.00 C ATOM 960 O ASN A 346 10.939 4.368 2.134 1.00 0.00 O ATOM 961 CB ASN A 346 10.692 2.565 4.173 1.00 0.00 C ATOM 962 CG ASN A 346 11.629 1.512 3.576 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.389 0.883 4.284 1.00 0.00 O ATOM 964 ND2 ASN A 346 11.602 1.292 2.289 1.00 0.00 N ATOM 0 H ASN A 346 9.908 5.213 4.994 1.00 0.00 H new ATOM 0 HA ASN A 346 12.448 3.619 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.267 2.200 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.859 2.750 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.219 0.592 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 346 10.963 1.821 1.695 1.00 0.00 H new ATOM 971 N PRO A 347 12.516 5.592 3.074 1.00 0.00 N ATOM 972 CA PRO A 347 12.774 6.440 1.869 1.00 0.00 C ATOM 973 C PRO A 347 13.015 5.617 0.598 1.00 0.00 C ATOM 974 O PRO A 347 12.582 5.986 -0.473 1.00 0.00 O ATOM 975 CB PRO A 347 14.035 7.235 2.248 1.00 0.00 C ATOM 976 CG PRO A 347 14.019 7.287 3.742 1.00 0.00 C ATOM 977 CD PRO A 347 13.384 5.974 4.201 1.00 0.00 C ATOM 0 HA PRO A 347 11.915 7.067 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 347 14.937 6.746 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.016 8.236 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.028 7.393 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.445 8.143 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.138 5.213 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.812 6.105 5.120 1.00 0.00 H new ATOM 985 N ALA A 348 13.710 4.513 0.712 1.00 0.00 N ATOM 986 CA ALA A 348 13.998 3.662 -0.486 1.00 0.00 C ATOM 987 C ALA A 348 12.766 3.583 -1.395 1.00 0.00 C ATOM 988 O ALA A 348 12.824 3.892 -2.570 1.00 0.00 O ATOM 989 CB ALA A 348 14.381 2.255 -0.027 1.00 0.00 C ATOM 0 H ALA A 348 14.093 4.161 1.589 1.00 0.00 H new ATOM 0 HA ALA A 348 14.820 4.107 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.591 1.633 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.268 2.307 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.557 1.820 0.539 1.00 0.00 H new ATOM 995 N LEU A 349 11.651 3.175 -0.864 1.00 0.00 N ATOM 996 CA LEU A 349 10.430 3.084 -1.703 1.00 0.00 C ATOM 997 C LEU A 349 9.936 4.506 -2.017 1.00 0.00 C ATOM 998 O LEU A 349 9.678 4.851 -3.151 1.00 0.00 O ATOM 999 CB LEU A 349 9.345 2.300 -0.926 1.00 0.00 C ATOM 1000 CG LEU A 349 9.252 0.849 -1.423 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.469 0.019 -0.410 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.522 0.791 -2.766 1.00 0.00 C ATOM 0 H LEU A 349 11.533 2.902 0.112 1.00 0.00 H new ATOM 0 HA LEU A 349 10.646 2.565 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.577 2.309 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.380 2.792 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 349 10.262 0.456 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.401 -1.011 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.980 0.043 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.466 0.432 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.464 -0.244 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 349 7.515 1.192 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.066 1.384 -3.502 1.00 0.00 H new ATOM 1014 N GLN A 350 9.788 5.319 -1.005 1.00 0.00 N ATOM 1015 CA GLN A 350 9.288 6.710 -1.199 1.00 0.00 C ATOM 1016 C GLN A 350 9.922 7.381 -2.433 1.00 0.00 C ATOM 1017 O GLN A 350 9.230 7.962 -3.245 1.00 0.00 O ATOM 1018 CB GLN A 350 9.603 7.530 0.071 1.00 0.00 C ATOM 1019 CG GLN A 350 8.455 8.500 0.368 1.00 0.00 C ATOM 1020 CD GLN A 350 8.870 9.472 1.474 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.402 10.593 1.521 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.736 9.088 2.372 1.00 0.00 N ATOM 0 H GLN A 350 9.996 5.073 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 350 8.212 6.672 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 350 9.752 6.861 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.532 8.084 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.191 9.052 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 350 7.568 7.945 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 350 10.129 8.147 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 350 10.020 9.729 3.113 1.00 0.00 H new ATOM 1031 N ARG A 351 11.219 7.346 -2.574 1.00 0.00 N ATOM 1032 CA ARG A 351 11.835 8.027 -3.751 1.00 0.00 C ATOM 1033 C ARG A 351 11.484 7.288 -5.046 1.00 0.00 C ATOM 1034 O ARG A 351 11.322 7.899 -6.084 1.00 0.00 O ATOM 1035 CB ARG A 351 13.361 8.109 -3.598 1.00 0.00 C ATOM 1036 CG ARG A 351 13.934 6.729 -3.222 1.00 0.00 C ATOM 1037 CD ARG A 351 15.302 6.519 -3.885 1.00 0.00 C ATOM 1038 NE ARG A 351 16.043 5.445 -3.165 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.083 4.886 -3.721 1.00 0.00 C ATOM 1040 NH1 ARG A 351 17.468 5.261 -4.911 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.736 3.951 -3.089 1.00 0.00 N ATOM 0 H ARG A 351 11.870 6.885 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 351 11.433 9.039 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 351 13.809 8.455 -4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 351 13.618 8.839 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.032 6.652 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 351 13.246 5.944 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 351 15.173 6.247 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 351 15.874 7.447 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 351 15.738 5.147 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 351 16.956 5.991 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 351 18.281 4.824 -5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.434 3.657 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.549 3.514 -3.523 1.00 0.00 H new ATOM 1055 N ILE A 352 11.365 5.986 -5.015 1.00 0.00 N ATOM 1056 CA ILE A 352 11.027 5.256 -6.274 1.00 0.00 C ATOM 1057 C ILE A 352 9.529 5.391 -6.574 1.00 0.00 C ATOM 1058 O ILE A 352 9.143 5.832 -7.638 1.00 0.00 O ATOM 1059 CB ILE A 352 11.395 3.775 -6.140 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.913 3.644 -5.977 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.948 3.022 -7.402 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.261 2.213 -5.563 1.00 0.00 C ATOM 0 H ILE A 352 11.485 5.404 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 352 11.597 5.692 -7.095 1.00 0.00 H new ATOM 0 HB ILE A 352 10.896 3.351 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.413 3.895 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.271 4.348 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.209 1.968 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.869 3.119 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.448 3.444 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.341 2.120 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.773 1.979 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.917 1.519 -6.330 1.00 0.00 H new ATOM 1074 N ILE A 353 8.680 5.016 -5.654 1.00 0.00 N ATOM 1075 CA ILE A 353 7.216 5.129 -5.910 1.00 0.00 C ATOM 1076 C ILE A 353 6.892 6.543 -6.395 1.00 0.00 C ATOM 1077 O ILE A 353 5.777 6.837 -6.781 1.00 0.00 O ATOM 1078 CB ILE A 353 6.445 4.829 -4.618 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.745 5.907 -3.553 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.874 3.459 -4.086 1.00 0.00 C ATOM 1081 CD1 ILE A 353 5.925 7.193 -3.792 1.00 0.00 C ATOM 0 H ILE A 353 8.936 4.639 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 353 6.922 4.411 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 353 5.376 4.831 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 353 6.520 5.512 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.808 6.146 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.330 3.239 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.653 2.694 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 353 7.944 3.467 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.165 7.926 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.169 7.603 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.861 6.959 -3.751 1.00 0.00 H new TER 1093 ILE A 353