USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 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 HE2:sc= -4.96 K(o=-9.3,f=-18!) USER MOD Set 1.2: A 312 CYS SG : rot -20:sc= -4.39! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 293 THR OG1 : rot 163:sc= 0.361 USER MOD Single : A 294 MET CE :methyl 142:sc=-0.00123 (180deg=-1.68!) USER MOD Single : A 295 LYS NZ :NH3+ 160:sc=-0.000679 (180deg=-0.441) USER MOD Single : A 301 THR OG1 : rot 17:sc= -0.513 USER MOD Single : A 305 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.72) USER MOD Single : A 306 THR OG1 : rot 71:sc= 0.83 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 SER OG : rot 180:sc= -0.259 USER MOD Single : A 325 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 HIS : no HE2:sc= -0.0833 K(o=-0.083,f=-2.5!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 THR OG1 : rot 180:sc= 0 USER MOD Single : A 341 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot 65:sc= -0.488 USER MOD Single : A 345 THR OG1 : rot -37:sc= 0.287 USER MOD Single : A 346 ASN :FLIP amide:sc= -1.33! C(o=-4.5!,f=-1.3!) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.701! C(o=-2.1!,f=-0.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.548 2.938 3.115 1.00 0.00 N ATOM 2 CA PHE A 289 -18.212 2.416 2.718 1.00 0.00 C ATOM 3 C PHE A 289 -17.842 3.007 1.356 1.00 0.00 C ATOM 4 O PHE A 289 -16.916 2.567 0.704 1.00 0.00 O ATOM 5 CB PHE A 289 -18.274 0.884 2.602 1.00 0.00 C ATOM 6 CG PHE A 289 -18.008 0.230 3.943 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.518 0.790 5.124 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.257 -0.950 3.999 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.272 0.170 6.355 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.011 -1.569 5.231 1.00 0.00 C ATOM 11 CZ PHE A 289 -17.520 -1.010 6.409 1.00 0.00 C ATOM 0 HA PHE A 289 -17.468 2.693 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.255 0.582 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.540 0.540 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -19.100 1.699 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -16.867 -1.384 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.663 0.602 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.429 -2.478 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 289 -17.333 -1.488 7.359 1.00 0.00 H new ATOM 21 N SER A 290 -18.582 3.981 0.910 1.00 0.00 N ATOM 22 CA SER A 290 -18.309 4.590 -0.427 1.00 0.00 C ATOM 23 C SER A 290 -17.405 5.827 -0.317 1.00 0.00 C ATOM 24 O SER A 290 -16.581 6.066 -1.177 1.00 0.00 O ATOM 25 CB SER A 290 -19.645 4.984 -1.082 1.00 0.00 C ATOM 26 OG SER A 290 -20.679 4.156 -0.567 1.00 0.00 O ATOM 0 H SER A 290 -19.370 4.386 1.415 1.00 0.00 H new ATOM 0 HA SER A 290 -17.788 3.852 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.867 6.032 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.580 4.874 -2.164 1.00 0.00 H new ATOM 0 HG SER A 290 -21.533 4.404 -0.980 1.00 0.00 H new ATOM 32 N PRO A 291 -17.566 6.620 0.704 1.00 0.00 N ATOM 33 CA PRO A 291 -16.765 7.849 0.880 1.00 0.00 C ATOM 34 C PRO A 291 -15.454 7.618 1.642 1.00 0.00 C ATOM 35 O PRO A 291 -14.398 8.017 1.201 1.00 0.00 O ATOM 36 CB PRO A 291 -17.712 8.761 1.667 1.00 0.00 C ATOM 37 CG PRO A 291 -18.583 7.833 2.472 1.00 0.00 C ATOM 38 CD PRO A 291 -18.522 6.445 1.802 1.00 0.00 C ATOM 0 HA PRO A 291 -16.438 8.263 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.156 9.439 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.310 9.379 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.234 7.777 3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.609 8.200 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.189 5.679 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.500 6.137 1.433 1.00 0.00 H new ATOM 46 N GLU A 292 -15.511 7.007 2.791 1.00 0.00 N ATOM 47 CA GLU A 292 -14.254 6.795 3.586 1.00 0.00 C ATOM 48 C GLU A 292 -13.555 5.479 3.204 1.00 0.00 C ATOM 49 O GLU A 292 -12.398 5.459 2.826 1.00 0.00 O ATOM 50 CB GLU A 292 -14.603 6.785 5.093 1.00 0.00 C ATOM 51 CG GLU A 292 -16.033 6.261 5.302 1.00 0.00 C ATOM 52 CD GLU A 292 -16.194 5.735 6.733 1.00 0.00 C ATOM 53 OE1 GLU A 292 -15.469 4.822 7.092 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.040 6.254 7.442 1.00 0.00 O ATOM 0 H GLU A 292 -16.363 6.645 3.218 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.566 7.611 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.895 6.157 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -14.513 7.792 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.752 7.058 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.246 5.466 4.587 1.00 0.00 H new ATOM 61 N THR A 293 -14.241 4.385 3.338 1.00 0.00 N ATOM 62 CA THR A 293 -13.627 3.062 3.036 1.00 0.00 C ATOM 63 C THR A 293 -13.119 2.997 1.607 1.00 0.00 C ATOM 64 O THR A 293 -12.042 2.496 1.346 1.00 0.00 O ATOM 65 CB THR A 293 -14.681 1.976 3.219 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.191 2.025 4.542 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.062 0.608 2.955 1.00 0.00 C ATOM 0 H THR A 293 -15.212 4.347 3.647 1.00 0.00 H new ATOM 0 HA THR A 293 -12.785 2.916 3.713 1.00 0.00 H new ATOM 0 HB THR A 293 -15.495 2.142 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.035 1.529 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.819 -0.165 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.680 0.572 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.244 0.438 3.655 1.00 0.00 H new ATOM 75 N MET A 294 -13.892 3.442 0.670 1.00 0.00 N ATOM 76 CA MET A 294 -13.445 3.332 -0.735 1.00 0.00 C ATOM 77 C MET A 294 -12.201 4.200 -0.957 1.00 0.00 C ATOM 78 O MET A 294 -11.317 3.826 -1.696 1.00 0.00 O ATOM 79 CB MET A 294 -14.588 3.741 -1.677 1.00 0.00 C ATOM 80 CG MET A 294 -14.517 2.911 -2.965 1.00 0.00 C ATOM 81 SD MET A 294 -15.887 3.370 -4.059 1.00 0.00 S ATOM 82 CE MET A 294 -17.152 2.288 -3.338 1.00 0.00 C ATOM 0 H MET A 294 -14.805 3.873 0.812 1.00 0.00 H new ATOM 0 HA MET A 294 -13.177 2.298 -0.954 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.549 3.588 -1.186 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.516 4.803 -1.912 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.565 3.081 -3.467 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.568 1.848 -2.728 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.112 2.805 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.235 1.378 -3.933 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.871 2.030 -2.317 1.00 0.00 H new ATOM 92 N LYS A 295 -12.099 5.339 -0.317 1.00 0.00 N ATOM 93 CA LYS A 295 -10.874 6.169 -0.511 1.00 0.00 C ATOM 94 C LYS A 295 -9.664 5.284 -0.231 1.00 0.00 C ATOM 95 O LYS A 295 -8.672 5.339 -0.926 1.00 0.00 O ATOM 96 CB LYS A 295 -10.901 7.384 0.447 1.00 0.00 C ATOM 97 CG LYS A 295 -11.207 8.670 -0.336 1.00 0.00 C ATOM 98 CD LYS A 295 -11.678 9.758 0.628 1.00 0.00 C ATOM 99 CE LYS A 295 -11.616 11.123 -0.064 1.00 0.00 C ATOM 100 NZ LYS A 295 -12.287 11.040 -1.393 1.00 0.00 N ATOM 0 H LYS A 295 -12.797 5.723 0.319 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.825 6.553 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.655 7.231 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -9.941 7.478 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -10.317 9.003 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.974 8.477 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -12.697 9.551 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -11.052 9.763 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -12.102 11.878 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -10.578 11.433 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -12.548 11.995 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -11.638 10.611 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -13.144 10.456 -1.313 1.00 0.00 H new ATOM 114 N ALA A 296 -9.747 4.441 0.758 1.00 0.00 N ATOM 115 CA ALA A 296 -8.604 3.535 1.026 1.00 0.00 C ATOM 116 C ALA A 296 -8.533 2.540 -0.133 1.00 0.00 C ATOM 117 O ALA A 296 -7.484 2.287 -0.693 1.00 0.00 O ATOM 118 CB ALA A 296 -8.828 2.798 2.343 1.00 0.00 C ATOM 0 H ALA A 296 -10.546 4.342 1.384 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.672 4.094 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -7.986 2.133 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -8.913 3.521 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.745 2.213 2.281 1.00 0.00 H new ATOM 124 N ARG A 297 -9.661 1.999 -0.514 1.00 0.00 N ATOM 125 CA ARG A 297 -9.697 1.045 -1.659 1.00 0.00 C ATOM 126 C ARG A 297 -9.168 1.763 -2.904 1.00 0.00 C ATOM 127 O ARG A 297 -8.638 1.157 -3.814 1.00 0.00 O ATOM 128 CB ARG A 297 -11.148 0.599 -1.893 1.00 0.00 C ATOM 129 CG ARG A 297 -11.174 -0.697 -2.705 1.00 0.00 C ATOM 130 CD ARG A 297 -12.617 -1.195 -2.819 1.00 0.00 C ATOM 131 NE ARG A 297 -12.620 -2.594 -3.337 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.693 -3.329 -3.231 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.767 -2.840 -2.675 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.692 -4.555 -3.679 1.00 0.00 N ATOM 0 H ARG A 297 -10.565 2.179 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.082 0.170 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.649 0.449 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.696 1.379 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.757 -0.526 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.553 -1.453 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.105 -1.155 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.185 -0.547 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.782 -2.977 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.768 -1.883 -2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.605 -3.415 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.852 -4.939 -4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.531 -5.129 -3.596 1.00 0.00 H new ATOM 148 N ARG A 298 -9.305 3.060 -2.935 1.00 0.00 N ATOM 149 CA ARG A 298 -8.812 3.847 -4.096 1.00 0.00 C ATOM 150 C ARG A 298 -7.311 4.066 -3.905 1.00 0.00 C ATOM 151 O ARG A 298 -6.511 3.802 -4.780 1.00 0.00 O ATOM 152 CB ARG A 298 -9.570 5.194 -4.139 1.00 0.00 C ATOM 153 CG ARG A 298 -9.881 5.601 -5.586 1.00 0.00 C ATOM 154 CD ARG A 298 -8.580 5.921 -6.322 1.00 0.00 C ATOM 155 NE ARG A 298 -8.897 6.416 -7.692 1.00 0.00 N ATOM 156 CZ ARG A 298 -7.986 7.041 -8.387 1.00 0.00 C ATOM 157 NH1 ARG A 298 -6.804 7.249 -7.875 1.00 0.00 N ATOM 158 NH2 ARG A 298 -8.260 7.462 -9.592 1.00 0.00 N ATOM 0 H ARG A 298 -9.742 3.612 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.984 3.327 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.498 5.112 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.971 5.968 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -10.409 4.795 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -10.539 6.470 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -8.014 6.674 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -7.954 5.031 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 298 -9.826 6.266 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -6.592 6.923 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -6.092 7.737 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -9.186 7.302 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -7.549 7.951 -10.136 1.00 0.00 H new ATOM 172 N ALA A 299 -6.923 4.519 -2.747 1.00 0.00 N ATOM 173 CA ALA A 299 -5.473 4.720 -2.480 1.00 0.00 C ATOM 174 C ALA A 299 -4.767 3.387 -2.719 1.00 0.00 C ATOM 175 O ALA A 299 -3.574 3.323 -2.941 1.00 0.00 O ATOM 176 CB ALA A 299 -5.273 5.145 -1.025 1.00 0.00 C ATOM 0 H ALA A 299 -7.546 4.758 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.069 5.494 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.210 5.292 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.807 6.077 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.659 4.370 -0.363 1.00 0.00 H new ATOM 182 N TRP A 300 -5.519 2.323 -2.682 1.00 0.00 N ATOM 183 CA TRP A 300 -4.945 0.973 -2.909 1.00 0.00 C ATOM 184 C TRP A 300 -4.804 0.728 -4.414 1.00 0.00 C ATOM 185 O TRP A 300 -3.892 0.061 -4.854 1.00 0.00 O ATOM 186 CB TRP A 300 -5.878 -0.065 -2.299 1.00 0.00 C ATOM 187 CG TRP A 300 -5.915 0.010 -0.784 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.830 -0.659 -0.042 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.063 0.732 0.200 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.602 -0.427 1.291 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.539 0.408 1.501 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.943 1.608 0.130 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.949 0.910 2.655 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.354 2.111 1.304 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.854 1.756 2.560 1.00 0.00 C ATOM 0 H TRP A 300 -6.523 2.335 -2.501 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.962 0.899 -2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.884 0.080 -2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.557 -1.061 -2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.619 -1.280 -0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.162 -0.832 2.041 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.542 1.889 -0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.343 0.642 3.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.507 2.778 1.234 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.388 2.140 3.456 1.00 0.00 H new ATOM 206 N THR A 301 -5.680 1.273 -5.214 1.00 0.00 N ATOM 207 CA THR A 301 -5.555 1.067 -6.686 1.00 0.00 C ATOM 208 C THR A 301 -4.330 1.833 -7.202 1.00 0.00 C ATOM 209 O THR A 301 -3.487 1.292 -7.889 1.00 0.00 O ATOM 210 CB THR A 301 -6.816 1.588 -7.394 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.298 2.742 -6.724 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.902 0.510 -7.393 1.00 0.00 C ATOM 0 H THR A 301 -6.469 1.846 -4.917 1.00 0.00 H new ATOM 0 HA THR A 301 -5.440 0.003 -6.893 1.00 0.00 H new ATOM 0 HB THR A 301 -6.563 1.842 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 301 -6.592 3.106 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 301 -8.791 0.889 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 301 -7.538 -0.374 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 301 -8.152 0.246 -6.365 1.00 0.00 H new ATOM 220 N ASP A 302 -4.241 3.094 -6.886 1.00 0.00 N ATOM 221 CA ASP A 302 -3.092 3.914 -7.362 1.00 0.00 C ATOM 222 C ASP A 302 -1.764 3.252 -6.979 1.00 0.00 C ATOM 223 O ASP A 302 -0.870 3.121 -7.791 1.00 0.00 O ATOM 224 CB ASP A 302 -3.169 5.301 -6.719 1.00 0.00 C ATOM 225 CG ASP A 302 -4.281 6.115 -7.384 1.00 0.00 C ATOM 226 OD1 ASP A 302 -4.877 5.613 -8.323 1.00 0.00 O ATOM 227 OD2 ASP A 302 -4.518 7.227 -6.942 1.00 0.00 O ATOM 0 H ASP A 302 -4.920 3.596 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.141 3.998 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.363 5.207 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.214 5.816 -6.826 1.00 0.00 H new ATOM 232 N VAL A 303 -1.612 2.853 -5.750 1.00 0.00 N ATOM 233 CA VAL A 303 -0.330 2.226 -5.331 1.00 0.00 C ATOM 234 C VAL A 303 -0.229 0.796 -5.878 1.00 0.00 C ATOM 235 O VAL A 303 0.853 0.288 -6.093 1.00 0.00 O ATOM 236 CB VAL A 303 -0.259 2.200 -3.803 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.350 3.632 -3.264 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.421 1.363 -3.254 1.00 0.00 C ATOM 0 H VAL A 303 -2.318 2.933 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 303 0.500 2.810 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 303 0.685 1.757 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.300 3.615 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.478 4.222 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.294 4.079 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.372 1.343 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.367 1.805 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.350 0.346 -3.639 1.00 0.00 H new ATOM 248 N ILE A 304 -1.334 0.134 -6.110 1.00 0.00 N ATOM 249 CA ILE A 304 -1.252 -1.259 -6.644 1.00 0.00 C ATOM 250 C ILE A 304 -0.462 -1.235 -7.959 1.00 0.00 C ATOM 251 O ILE A 304 0.387 -2.071 -8.198 1.00 0.00 O ATOM 252 CB ILE A 304 -2.683 -1.816 -6.860 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.133 -2.592 -5.613 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.741 -2.759 -8.073 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.647 -2.806 -5.660 1.00 0.00 C ATOM 0 H ILE A 304 -2.277 0.491 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.740 -1.911 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.344 -0.968 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.621 -3.553 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.861 -2.042 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.758 -3.132 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.442 -2.217 -8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.064 -3.598 -7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.964 -3.357 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.150 -1.840 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.907 -3.374 -6.553 1.00 0.00 H new ATOM 267 N GLN A 305 -0.731 -0.286 -8.809 1.00 0.00 N ATOM 268 CA GLN A 305 0.012 -0.222 -10.095 1.00 0.00 C ATOM 269 C GLN A 305 1.431 0.271 -9.821 1.00 0.00 C ATOM 270 O GLN A 305 2.354 -0.020 -10.556 1.00 0.00 O ATOM 271 CB GLN A 305 -0.694 0.740 -11.053 1.00 0.00 C ATOM 272 CG GLN A 305 -0.966 2.066 -10.344 1.00 0.00 C ATOM 273 CD GLN A 305 -1.405 3.113 -11.368 1.00 0.00 C ATOM 274 OE1 GLN A 305 -2.363 3.828 -11.152 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.739 3.236 -12.484 1.00 0.00 N ATOM 0 H GLN A 305 -1.429 0.444 -8.670 1.00 0.00 H new ATOM 0 HA GLN A 305 0.047 -1.212 -10.551 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.076 0.908 -11.935 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.631 0.302 -11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.741 1.934 -9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 305 -0.069 2.404 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.066 2.636 -12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -1.023 3.932 -13.173 1.00 0.00 H new ATOM 284 N THR A 306 1.613 1.018 -8.766 1.00 0.00 N ATOM 285 CA THR A 306 2.974 1.531 -8.447 1.00 0.00 C ATOM 286 C THR A 306 3.827 0.420 -7.823 1.00 0.00 C ATOM 287 O THR A 306 4.959 0.214 -8.202 1.00 0.00 O ATOM 288 CB THR A 306 2.873 2.695 -7.458 1.00 0.00 C ATOM 289 OG1 THR A 306 1.834 3.572 -7.869 1.00 0.00 O ATOM 290 CG2 THR A 306 4.203 3.455 -7.421 1.00 0.00 C ATOM 0 H THR A 306 0.879 1.294 -8.113 1.00 0.00 H new ATOM 0 HA THR A 306 3.441 1.871 -9.371 1.00 0.00 H new ATOM 0 HB THR A 306 2.652 2.309 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 306 0.966 3.141 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.129 4.283 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 306 4.999 2.780 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.428 3.843 -8.414 1.00 0.00 H new ATOM 298 N LEU A 307 3.301 -0.289 -6.860 1.00 0.00 N ATOM 299 CA LEU A 307 4.097 -1.373 -6.203 1.00 0.00 C ATOM 300 C LEU A 307 4.797 -2.221 -7.279 1.00 0.00 C ATOM 301 O LEU A 307 5.966 -2.534 -7.177 1.00 0.00 O ATOM 302 CB LEU A 307 3.148 -2.269 -5.367 1.00 0.00 C ATOM 303 CG LEU A 307 3.070 -1.813 -3.891 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.458 -1.870 -3.216 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.493 -0.390 -3.799 1.00 0.00 C ATOM 0 H LEU A 307 2.355 -0.166 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 307 4.849 -0.931 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.150 -2.249 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.494 -3.302 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 307 2.407 -2.498 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.372 -1.544 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.835 -2.892 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.148 -1.214 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.445 -0.084 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.134 0.299 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.491 -0.375 -4.228 1.00 0.00 H new ATOM 317 N ARG A 308 4.079 -2.600 -8.295 1.00 0.00 N ATOM 318 CA ARG A 308 4.673 -3.437 -9.377 1.00 0.00 C ATOM 319 C ARG A 308 5.819 -2.688 -10.080 1.00 0.00 C ATOM 320 O ARG A 308 6.460 -3.223 -10.963 1.00 0.00 O ATOM 321 CB ARG A 308 3.578 -3.790 -10.398 1.00 0.00 C ATOM 322 CG ARG A 308 3.963 -5.063 -11.159 1.00 0.00 C ATOM 323 CD ARG A 308 2.906 -5.366 -12.225 1.00 0.00 C ATOM 324 NE ARG A 308 1.681 -5.909 -11.569 1.00 0.00 N ATOM 325 CZ ARG A 308 0.562 -5.986 -12.237 1.00 0.00 C ATOM 326 NH1 ARG A 308 0.519 -5.607 -13.485 1.00 0.00 N ATOM 327 NH2 ARG A 308 -0.513 -6.450 -11.659 1.00 0.00 N ATOM 0 H ARG A 308 3.095 -2.365 -8.426 1.00 0.00 H new ATOM 0 HA ARG A 308 5.080 -4.348 -8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.626 -3.935 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.442 -2.965 -11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.940 -4.938 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 308 4.046 -5.901 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 308 2.663 -4.460 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 308 3.296 -6.086 -12.945 1.00 0.00 H new ATOM 0 HE ARG A 308 1.718 -6.220 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 308 1.360 -5.250 -13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -0.356 -5.667 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 308 -0.479 -6.752 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 308 -1.387 -6.510 -12.181 1.00 0.00 H new ATOM 341 N GLU A 309 6.072 -1.453 -9.724 1.00 0.00 N ATOM 342 CA GLU A 309 7.162 -0.696 -10.418 1.00 0.00 C ATOM 343 C GLU A 309 8.545 -1.151 -9.939 1.00 0.00 C ATOM 344 O GLU A 309 9.550 -0.721 -10.470 1.00 0.00 O ATOM 345 CB GLU A 309 7.011 0.801 -10.142 1.00 0.00 C ATOM 346 CG GLU A 309 5.736 1.316 -10.814 1.00 0.00 C ATOM 347 CD GLU A 309 5.964 1.434 -12.322 1.00 0.00 C ATOM 348 OE1 GLU A 309 7.064 1.138 -12.759 1.00 0.00 O ATOM 349 OE2 GLU A 309 5.035 1.818 -13.013 1.00 0.00 O ATOM 0 H GLU A 309 5.579 -0.941 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 309 7.077 -0.893 -11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.967 0.981 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 309 7.879 1.341 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 309 4.907 0.637 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.461 2.286 -10.400 1.00 0.00 H new ATOM 356 N HIS A 310 8.614 -2.028 -8.965 1.00 0.00 N ATOM 357 CA HIS A 310 9.949 -2.522 -8.485 1.00 0.00 C ATOM 358 C HIS A 310 9.920 -4.050 -8.401 1.00 0.00 C ATOM 359 O HIS A 310 10.111 -4.733 -9.388 1.00 0.00 O ATOM 360 CB HIS A 310 10.303 -1.909 -7.115 1.00 0.00 C ATOM 361 CG HIS A 310 9.087 -1.783 -6.233 1.00 0.00 C ATOM 362 ND1 HIS A 310 8.913 -2.582 -5.114 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.014 -0.920 -6.245 1.00 0.00 C ATOM 364 CE1 HIS A 310 7.783 -2.186 -4.503 1.00 0.00 C ATOM 365 NE2 HIS A 310 7.194 -1.180 -5.152 1.00 0.00 N ATOM 0 H HIS A 310 7.807 -2.423 -8.482 1.00 0.00 H new ATOM 0 HA HIS A 310 10.718 -2.213 -9.193 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.050 -2.530 -6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.751 -0.926 -7.260 1.00 0.00 H new ATOM 0 HD1 HIS A 310 9.531 -3.334 -4.809 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.836 -0.158 -6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 310 7.398 -2.629 -3.596 1.00 0.00 H new ATOM 373 N LYS A 311 9.686 -4.599 -7.241 1.00 0.00 N ATOM 374 CA LYS A 311 9.650 -6.087 -7.119 1.00 0.00 C ATOM 375 C LYS A 311 8.841 -6.475 -5.886 1.00 0.00 C ATOM 376 O LYS A 311 9.354 -7.033 -4.937 1.00 0.00 O ATOM 377 CB LYS A 311 11.078 -6.636 -7.002 1.00 0.00 C ATOM 378 CG LYS A 311 11.899 -5.759 -6.051 1.00 0.00 C ATOM 379 CD LYS A 311 13.325 -6.308 -5.954 1.00 0.00 C ATOM 380 CE LYS A 311 14.077 -5.583 -4.836 1.00 0.00 C ATOM 381 NZ LYS A 311 15.538 -5.848 -4.962 1.00 0.00 N ATOM 0 H LYS A 311 9.519 -4.086 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 311 9.181 -6.512 -8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.053 -7.662 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.549 -6.661 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.917 -4.731 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.436 -5.742 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 311 13.301 -7.379 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.844 -6.172 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.886 -4.511 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.718 -5.921 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 16.047 -5.354 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 15.713 -6.871 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 15.875 -5.504 -5.884 1.00 0.00 H new ATOM 395 N CYS A 312 7.572 -6.190 -5.906 1.00 0.00 N ATOM 396 CA CYS A 312 6.703 -6.543 -4.754 1.00 0.00 C ATOM 397 C CYS A 312 5.270 -6.688 -5.250 1.00 0.00 C ATOM 398 O CYS A 312 4.592 -5.717 -5.517 1.00 0.00 O ATOM 399 CB CYS A 312 6.756 -5.439 -3.704 1.00 0.00 C ATOM 400 SG CYS A 312 8.480 -5.062 -3.300 1.00 0.00 S ATOM 0 H CYS A 312 7.096 -5.724 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 312 7.049 -7.476 -4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.256 -4.545 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.222 -5.752 -2.807 1.00 0.00 H new ATOM 0 HG CYS A 312 9.235 -6.063 -3.644 1.00 0.00 H new ATOM 406 N GLN A 313 4.808 -7.893 -5.378 1.00 0.00 N ATOM 407 CA GLN A 313 3.419 -8.106 -5.865 1.00 0.00 C ATOM 408 C GLN A 313 2.431 -7.604 -4.796 1.00 0.00 C ATOM 409 O GLN A 313 2.476 -8.067 -3.679 1.00 0.00 O ATOM 410 CB GLN A 313 3.194 -9.604 -6.085 1.00 0.00 C ATOM 411 CG GLN A 313 4.296 -10.158 -6.988 1.00 0.00 C ATOM 412 CD GLN A 313 4.083 -11.660 -7.192 1.00 0.00 C ATOM 413 OE1 GLN A 313 5.016 -12.435 -7.109 1.00 0.00 O ATOM 414 NE2 GLN A 313 2.886 -12.106 -7.457 1.00 0.00 N ATOM 0 H GLN A 313 5.330 -8.743 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 313 3.265 -7.565 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.196 -10.127 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.218 -9.773 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.285 -9.645 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.273 -9.976 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 313 2.103 -11.456 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 313 2.733 -13.105 -7.595 1.00 0.00 H new ATOM 423 N PRO A 314 1.551 -6.662 -5.112 1.00 0.00 N ATOM 424 CA PRO A 314 0.558 -6.119 -4.128 1.00 0.00 C ATOM 425 C PRO A 314 -0.747 -6.930 -4.080 1.00 0.00 C ATOM 426 O PRO A 314 -1.148 -7.535 -5.055 1.00 0.00 O ATOM 427 CB PRO A 314 0.276 -4.729 -4.689 1.00 0.00 C ATOM 428 CG PRO A 314 0.312 -4.928 -6.168 1.00 0.00 C ATOM 429 CD PRO A 314 1.398 -5.987 -6.424 1.00 0.00 C ATOM 0 HA PRO A 314 0.940 -6.141 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.693 -4.354 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.025 -4.007 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.656 -5.263 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.546 -3.996 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.097 -6.689 -7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.333 -5.531 -6.750 1.00 0.00 H new ATOM 437 N ARG A 315 -1.430 -6.922 -2.957 1.00 0.00 N ATOM 438 CA ARG A 315 -2.731 -7.669 -2.855 1.00 0.00 C ATOM 439 C ARG A 315 -3.699 -6.883 -1.964 1.00 0.00 C ATOM 440 O ARG A 315 -3.356 -6.477 -0.872 1.00 0.00 O ATOM 441 CB ARG A 315 -2.518 -9.073 -2.246 1.00 0.00 C ATOM 442 CG ARG A 315 -1.122 -9.600 -2.593 1.00 0.00 C ATOM 443 CD ARG A 315 -0.036 -8.878 -1.764 1.00 0.00 C ATOM 444 NE ARG A 315 0.701 -9.884 -0.950 1.00 0.00 N ATOM 445 CZ ARG A 315 1.889 -9.610 -0.492 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.461 -8.483 -0.799 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.515 -10.474 0.261 1.00 0.00 N ATOM 0 H ARG A 315 -1.145 -6.433 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.142 -7.781 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.638 -9.029 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -3.277 -9.759 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.077 -10.672 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.929 -9.456 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.653 -8.350 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.492 -8.130 -1.115 1.00 0.00 H new ATOM 0 HE ARG A 315 0.275 -10.789 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 315 1.979 -7.813 -1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.391 -8.269 -0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.074 -11.364 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 315 3.445 -10.259 0.619 1.00 0.00 H new ATOM 461 N LEU A 316 -4.909 -6.674 -2.413 1.00 0.00 N ATOM 462 CA LEU A 316 -5.895 -5.935 -1.586 1.00 0.00 C ATOM 463 C LEU A 316 -6.675 -6.944 -0.741 1.00 0.00 C ATOM 464 O LEU A 316 -7.366 -7.802 -1.255 1.00 0.00 O ATOM 465 CB LEU A 316 -6.847 -5.182 -2.521 1.00 0.00 C ATOM 466 CG LEU A 316 -7.417 -3.944 -1.822 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.250 -3.129 -2.821 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.300 -4.378 -0.653 1.00 0.00 C ATOM 0 H LEU A 316 -5.253 -6.986 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.396 -5.223 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.318 -4.884 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.660 -5.840 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.598 -3.330 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.656 -2.248 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.618 -2.817 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.069 -3.742 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.705 -3.496 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.119 -4.994 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.707 -4.954 0.057 1.00 0.00 H new ATOM 480 N LEU A 317 -6.576 -6.833 0.549 1.00 0.00 N ATOM 481 CA LEU A 317 -7.316 -7.768 1.457 1.00 0.00 C ATOM 482 C LEU A 317 -8.568 -7.043 1.940 1.00 0.00 C ATOM 483 O LEU A 317 -9.085 -6.221 1.223 1.00 0.00 O ATOM 484 CB LEU A 317 -6.443 -8.152 2.664 1.00 0.00 C ATOM 485 CG LEU A 317 -5.172 -8.892 2.219 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.550 -10.163 1.448 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.296 -7.980 1.338 1.00 0.00 C ATOM 0 H LEU A 317 -6.011 -6.130 1.026 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.575 -8.683 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.169 -7.254 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -7.015 -8.783 3.344 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.601 -9.168 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.644 -10.682 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -6.140 -10.817 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.136 -9.895 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.400 -8.521 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.858 -7.679 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -4.009 -7.094 1.904 1.00 0.00 H new ATOM 499 N TYR A 318 -9.034 -7.347 3.145 1.00 0.00 N ATOM 500 CA TYR A 318 -10.265 -6.694 3.748 1.00 0.00 C ATOM 501 C TYR A 318 -10.726 -5.479 2.912 1.00 0.00 C ATOM 502 O TYR A 318 -9.900 -4.764 2.402 1.00 0.00 O ATOM 503 CB TYR A 318 -9.902 -6.228 5.176 1.00 0.00 C ATOM 504 CG TYR A 318 -11.085 -6.369 6.109 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.443 -7.630 6.600 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.819 -5.237 6.483 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.539 -7.760 7.462 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.914 -5.366 7.345 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.274 -6.628 7.835 1.00 0.00 C ATOM 510 OH TYR A 318 -14.353 -6.754 8.685 1.00 0.00 O ATOM 0 H TYR A 318 -8.599 -8.041 3.753 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.083 -7.414 3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.065 -6.816 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.576 -5.188 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.874 -8.502 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.540 -4.264 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.817 -8.733 7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.481 -4.493 7.632 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.750 -5.872 8.842 1.00 0.00 H new ATOM 520 N PRO A 319 -12.021 -5.248 2.767 1.00 0.00 N ATOM 521 CA PRO A 319 -12.571 -4.118 1.967 1.00 0.00 C ATOM 522 C PRO A 319 -11.623 -2.922 1.805 1.00 0.00 C ATOM 523 O PRO A 319 -11.769 -2.137 0.889 1.00 0.00 O ATOM 524 CB PRO A 319 -13.816 -3.749 2.756 1.00 0.00 C ATOM 525 CG PRO A 319 -14.351 -5.072 3.224 1.00 0.00 C ATOM 526 CD PRO A 319 -13.135 -6.021 3.351 1.00 0.00 C ATOM 0 HA PRO A 319 -12.753 -4.405 0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.578 -3.095 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.541 -3.222 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.862 -4.967 4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.079 -5.468 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.939 -6.282 4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.299 -6.955 2.813 1.00 0.00 H new ATOM 534 N ALA A 320 -10.642 -2.779 2.654 1.00 0.00 N ATOM 535 CA ALA A 320 -9.696 -1.640 2.491 1.00 0.00 C ATOM 536 C ALA A 320 -8.324 -1.957 3.112 1.00 0.00 C ATOM 537 O ALA A 320 -7.680 -1.076 3.647 1.00 0.00 O ATOM 538 CB ALA A 320 -10.287 -0.397 3.155 1.00 0.00 C ATOM 0 H ALA A 320 -10.456 -3.395 3.446 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.549 -1.463 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.598 0.440 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.239 -0.151 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.445 -0.592 4.216 1.00 0.00 H new ATOM 544 N LYS A 321 -7.836 -3.181 3.022 1.00 0.00 N ATOM 545 CA LYS A 321 -6.467 -3.477 3.593 1.00 0.00 C ATOM 546 C LYS A 321 -5.463 -3.557 2.435 1.00 0.00 C ATOM 547 O LYS A 321 -5.830 -3.816 1.307 1.00 0.00 O ATOM 548 CB LYS A 321 -6.476 -4.824 4.351 1.00 0.00 C ATOM 549 CG LYS A 321 -6.625 -4.622 5.870 1.00 0.00 C ATOM 550 CD LYS A 321 -6.230 -5.925 6.594 1.00 0.00 C ATOM 551 CE LYS A 321 -6.884 -5.991 7.980 1.00 0.00 C ATOM 552 NZ LYS A 321 -5.998 -6.750 8.908 1.00 0.00 N ATOM 0 H LYS A 321 -8.312 -3.972 2.589 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.188 -2.687 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.295 -5.442 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.552 -5.364 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -5.992 -3.800 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.653 -4.353 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -6.537 -6.785 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.146 -5.978 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -7.054 -4.985 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -7.858 -6.475 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -6.439 -6.796 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.858 -7.714 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -5.078 -6.270 8.980 1.00 0.00 H new ATOM 566 N LEU A 322 -4.195 -3.338 2.702 1.00 0.00 N ATOM 567 CA LEU A 322 -3.174 -3.408 1.605 1.00 0.00 C ATOM 568 C LEU A 322 -1.895 -4.088 2.110 1.00 0.00 C ATOM 569 O LEU A 322 -1.205 -3.584 2.975 1.00 0.00 O ATOM 570 CB LEU A 322 -2.867 -1.978 1.140 1.00 0.00 C ATOM 571 CG LEU A 322 -2.213 -1.953 -0.255 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.891 -2.727 -0.234 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.162 -2.548 -1.317 1.00 0.00 C ATOM 0 H LEU A 322 -3.825 -3.115 3.626 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.562 -3.996 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.789 -1.398 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.205 -1.497 1.860 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.011 -0.915 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.439 -2.702 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.213 -2.269 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.080 -3.762 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.679 -2.520 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.396 -3.580 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.082 -1.965 -1.350 1.00 0.00 H new ATOM 585 N SER A 323 -1.572 -5.233 1.552 1.00 0.00 N ATOM 586 CA SER A 323 -0.335 -5.971 1.959 1.00 0.00 C ATOM 587 C SER A 323 0.729 -5.808 0.878 1.00 0.00 C ATOM 588 O SER A 323 0.425 -5.585 -0.279 1.00 0.00 O ATOM 589 CB SER A 323 -0.659 -7.455 2.134 1.00 0.00 C ATOM 590 OG SER A 323 0.493 -8.134 2.620 1.00 0.00 O ATOM 0 H SER A 323 -2.120 -5.691 0.824 1.00 0.00 H new ATOM 0 HA SER A 323 0.036 -5.568 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.489 -7.578 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 323 -0.974 -7.885 1.183 1.00 0.00 H new ATOM 0 HG SER A 323 0.288 -9.085 2.735 1.00 0.00 H new ATOM 596 N ILE A 324 1.981 -5.905 1.251 1.00 0.00 N ATOM 597 CA ILE A 324 3.080 -5.738 0.258 1.00 0.00 C ATOM 598 C ILE A 324 4.204 -6.738 0.530 1.00 0.00 C ATOM 599 O ILE A 324 4.457 -7.130 1.653 1.00 0.00 O ATOM 600 CB ILE A 324 3.624 -4.307 0.338 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.816 -3.856 1.804 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.630 -3.366 -0.340 1.00 0.00 C ATOM 603 CD1 ILE A 324 5.028 -4.545 2.458 1.00 0.00 C ATOM 0 H ILE A 324 2.288 -6.094 2.205 1.00 0.00 H new ATOM 0 HA ILE A 324 2.687 -5.925 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 324 4.593 -4.279 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.950 -2.775 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.916 -4.083 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 324 3.005 -2.344 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.507 -3.657 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.668 -3.425 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 324 5.130 -4.202 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 324 4.882 -5.625 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.932 -4.296 1.902 1.00 0.00 H new ATOM 615 N THR A 325 4.867 -7.166 -0.516 1.00 0.00 N ATOM 616 CA THR A 325 5.975 -8.158 -0.375 1.00 0.00 C ATOM 617 C THR A 325 7.331 -7.445 -0.437 1.00 0.00 C ATOM 618 O THR A 325 7.744 -6.966 -1.474 1.00 0.00 O ATOM 619 CB THR A 325 5.876 -9.173 -1.524 1.00 0.00 C ATOM 620 OG1 THR A 325 4.731 -9.992 -1.328 1.00 0.00 O ATOM 621 CG2 THR A 325 7.131 -10.051 -1.557 1.00 0.00 C ATOM 0 H THR A 325 4.684 -6.865 -1.473 1.00 0.00 H new ATOM 0 HA THR A 325 5.890 -8.667 0.585 1.00 0.00 H new ATOM 0 HB THR A 325 5.791 -8.638 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.663 -10.640 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.052 -10.768 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.010 -9.424 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.225 -10.587 -0.613 1.00 0.00 H new ATOM 629 N ILE A 326 8.032 -7.390 0.665 1.00 0.00 N ATOM 630 CA ILE A 326 9.375 -6.733 0.686 1.00 0.00 C ATOM 631 C ILE A 326 10.315 -7.580 1.550 1.00 0.00 C ATOM 632 O ILE A 326 9.935 -8.077 2.591 1.00 0.00 O ATOM 633 CB ILE A 326 9.251 -5.322 1.275 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.502 -4.422 0.283 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.648 -4.745 1.529 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.173 -3.080 0.940 1.00 0.00 C ATOM 0 H ILE A 326 7.730 -7.775 1.560 1.00 0.00 H new ATOM 0 HA ILE A 326 9.771 -6.655 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 326 8.702 -5.369 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 326 9.111 -4.261 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.584 -4.911 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.557 -3.743 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.183 -5.384 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.198 -4.697 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.642 -2.447 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.546 -3.248 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.097 -2.588 1.244 1.00 0.00 H new ATOM 648 N ASP A 327 11.536 -7.759 1.117 1.00 0.00 N ATOM 649 CA ASP A 327 12.501 -8.585 1.903 1.00 0.00 C ATOM 650 C ASP A 327 11.819 -9.876 2.361 1.00 0.00 C ATOM 651 O ASP A 327 12.188 -10.469 3.355 1.00 0.00 O ATOM 652 CB ASP A 327 12.976 -7.795 3.125 1.00 0.00 C ATOM 653 CG ASP A 327 13.876 -6.644 2.670 1.00 0.00 C ATOM 654 OD1 ASP A 327 14.758 -6.891 1.864 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.668 -5.536 3.137 1.00 0.00 O ATOM 0 H ASP A 327 11.907 -7.368 0.251 1.00 0.00 H new ATOM 0 HA ASP A 327 13.358 -8.832 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.119 -7.405 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.521 -8.450 3.805 1.00 0.00 H new ATOM 660 N GLY A 328 10.828 -10.312 1.638 1.00 0.00 N ATOM 661 CA GLY A 328 10.116 -11.564 2.021 1.00 0.00 C ATOM 662 C GLY A 328 9.223 -11.293 3.232 1.00 0.00 C ATOM 663 O GLY A 328 8.258 -11.991 3.471 1.00 0.00 O ATOM 0 H GLY A 328 10.478 -9.855 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.515 -11.923 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 328 10.837 -12.348 2.255 1.00 0.00 H new ATOM 667 N GLU A 329 9.534 -10.284 3.998 1.00 0.00 N ATOM 668 CA GLU A 329 8.697 -9.974 5.190 1.00 0.00 C ATOM 669 C GLU A 329 7.365 -9.385 4.726 1.00 0.00 C ATOM 670 O GLU A 329 7.317 -8.437 3.968 1.00 0.00 O ATOM 671 CB GLU A 329 9.438 -8.969 6.096 1.00 0.00 C ATOM 672 CG GLU A 329 10.224 -9.722 7.173 1.00 0.00 C ATOM 673 CD GLU A 329 11.147 -8.750 7.909 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.664 -7.714 8.337 1.00 0.00 O ATOM 675 OE2 GLU A 329 12.321 -9.057 8.030 1.00 0.00 O ATOM 0 H GLU A 329 10.329 -9.663 3.850 1.00 0.00 H new ATOM 0 HA GLU A 329 8.509 -10.885 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.115 -8.358 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.724 -8.290 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.537 -10.191 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.809 -10.521 6.718 1.00 0.00 H new ATOM 682 N THR A 330 6.283 -9.947 5.183 1.00 0.00 N ATOM 683 CA THR A 330 4.941 -9.435 4.784 1.00 0.00 C ATOM 684 C THR A 330 4.529 -8.300 5.721 1.00 0.00 C ATOM 685 O THR A 330 4.522 -8.454 6.926 1.00 0.00 O ATOM 686 CB THR A 330 3.917 -10.569 4.886 1.00 0.00 C ATOM 687 OG1 THR A 330 4.435 -11.727 4.248 1.00 0.00 O ATOM 688 CG2 THR A 330 2.609 -10.153 4.207 1.00 0.00 C ATOM 0 H THR A 330 6.269 -10.744 5.820 1.00 0.00 H new ATOM 0 HA THR A 330 4.982 -9.066 3.759 1.00 0.00 H new ATOM 0 HB THR A 330 3.721 -10.784 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.783 -12.456 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 330 1.885 -10.964 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.211 -9.265 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.798 -9.933 3.156 1.00 0.00 H new ATOM 696 N LYS A 331 4.172 -7.165 5.173 1.00 0.00 N ATOM 697 CA LYS A 331 3.737 -6.007 6.016 1.00 0.00 C ATOM 698 C LYS A 331 2.387 -5.534 5.481 1.00 0.00 C ATOM 699 O LYS A 331 2.106 -5.653 4.304 1.00 0.00 O ATOM 700 CB LYS A 331 4.796 -4.876 5.923 1.00 0.00 C ATOM 701 CG LYS A 331 5.321 -4.499 7.319 1.00 0.00 C ATOM 702 CD LYS A 331 4.264 -3.685 8.067 1.00 0.00 C ATOM 703 CE LYS A 331 4.801 -3.297 9.446 1.00 0.00 C ATOM 704 NZ LYS A 331 3.725 -2.628 10.229 1.00 0.00 N ATOM 0 H LYS A 331 4.163 -6.989 4.168 1.00 0.00 H new ATOM 0 HA LYS A 331 3.641 -6.292 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.625 -5.199 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.357 -4.000 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.565 -5.400 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 331 6.241 -3.921 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 331 4.010 -2.790 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 331 3.348 -4.267 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.152 -4.184 9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 331 5.657 -2.630 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 4.090 -2.364 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 3.411 -1.773 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 2.922 -3.279 10.341 1.00 0.00 H new ATOM 718 N VAL A 332 1.537 -5.018 6.330 1.00 0.00 N ATOM 719 CA VAL A 332 0.195 -4.566 5.852 1.00 0.00 C ATOM 720 C VAL A 332 -0.234 -3.291 6.572 1.00 0.00 C ATOM 721 O VAL A 332 0.225 -2.979 7.653 1.00 0.00 O ATOM 722 CB VAL A 332 -0.822 -5.680 6.111 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.058 -5.473 5.236 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.190 -7.027 5.762 1.00 0.00 C ATOM 0 H VAL A 332 1.711 -4.890 7.327 1.00 0.00 H new ATOM 0 HA VAL A 332 0.248 -4.350 4.785 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.114 -5.660 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.776 -6.270 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.513 -4.511 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.767 -5.490 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.910 -7.825 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.099 -7.032 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.693 -7.186 6.381 1.00 0.00 H new ATOM 734 N PHE A 333 -1.115 -2.547 5.957 1.00 0.00 N ATOM 735 CA PHE A 333 -1.603 -1.274 6.559 1.00 0.00 C ATOM 736 C PHE A 333 -3.110 -1.154 6.308 1.00 0.00 C ATOM 737 O PHE A 333 -3.608 -1.572 5.281 1.00 0.00 O ATOM 738 CB PHE A 333 -0.848 -0.118 5.908 1.00 0.00 C ATOM 739 CG PHE A 333 0.604 -0.507 5.772 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.035 -1.235 4.658 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.517 -0.149 6.770 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.380 -1.606 4.542 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.862 -0.518 6.654 1.00 0.00 C ATOM 744 CZ PHE A 333 3.294 -1.245 5.540 1.00 0.00 C ATOM 0 H PHE A 333 -1.522 -2.772 5.049 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.428 -1.254 7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.272 0.108 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -0.943 0.784 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.330 -1.511 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 333 1.184 0.412 7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.713 -2.170 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.566 -0.241 7.425 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.332 -1.528 5.449 1.00 0.00 H new ATOM 754 N HIS A 334 -3.848 -0.618 7.252 1.00 0.00 N ATOM 755 CA HIS A 334 -5.334 -0.511 7.081 1.00 0.00 C ATOM 756 C HIS A 334 -5.735 0.883 6.576 1.00 0.00 C ATOM 757 O HIS A 334 -6.481 1.011 5.625 1.00 0.00 O ATOM 758 CB HIS A 334 -6.012 -0.779 8.435 1.00 0.00 C ATOM 759 CG HIS A 334 -7.433 -1.233 8.213 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.170 -0.833 7.110 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.257 -2.062 8.934 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.379 -1.417 7.195 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.486 -2.177 8.289 1.00 0.00 N ATOM 0 H HIS A 334 -3.487 -0.250 8.132 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.655 -1.246 6.342 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.459 -1.540 8.985 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.000 0.125 9.043 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -7.853 -0.209 6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -7.992 -2.550 9.860 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.167 -1.287 6.468 1.00 0.00 H new ATOM 771 N ASP A 335 -5.276 1.929 7.211 1.00 0.00 N ATOM 772 CA ASP A 335 -5.666 3.301 6.761 1.00 0.00 C ATOM 773 C ASP A 335 -4.704 3.793 5.678 1.00 0.00 C ATOM 774 O ASP A 335 -3.565 3.377 5.605 1.00 0.00 O ATOM 775 CB ASP A 335 -5.629 4.261 7.954 1.00 0.00 C ATOM 776 CG ASP A 335 -6.446 3.674 9.106 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.646 3.525 8.938 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.860 3.381 10.134 1.00 0.00 O ATOM 0 H ASP A 335 -4.652 1.895 8.017 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.675 3.267 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.599 4.425 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -6.032 5.232 7.666 1.00 0.00 H new ATOM 783 N LYS A 336 -5.161 4.681 4.834 1.00 0.00 N ATOM 784 CA LYS A 336 -4.285 5.210 3.750 1.00 0.00 C ATOM 785 C LYS A 336 -3.087 5.925 4.370 1.00 0.00 C ATOM 786 O LYS A 336 -1.971 5.802 3.904 1.00 0.00 O ATOM 787 CB LYS A 336 -5.076 6.194 2.884 1.00 0.00 C ATOM 788 CG LYS A 336 -5.629 7.325 3.758 1.00 0.00 C ATOM 789 CD LYS A 336 -6.743 8.058 3.008 1.00 0.00 C ATOM 790 CE LYS A 336 -7.240 9.229 3.857 1.00 0.00 C ATOM 791 NZ LYS A 336 -8.447 9.826 3.220 1.00 0.00 N ATOM 0 H LYS A 336 -6.107 5.063 4.850 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.936 4.384 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -4.434 6.605 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.894 5.676 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.013 6.920 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.831 8.022 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.373 8.421 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -7.565 7.374 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.479 8.887 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -6.457 9.981 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.786 10.622 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -8.204 10.166 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -9.195 9.106 3.150 1.00 0.00 H new ATOM 805 N THR A 337 -3.300 6.662 5.425 1.00 0.00 N ATOM 806 CA THR A 337 -2.161 7.366 6.071 1.00 0.00 C ATOM 807 C THR A 337 -1.183 6.319 6.571 1.00 0.00 C ATOM 808 O THR A 337 0.010 6.407 6.361 1.00 0.00 O ATOM 809 CB THR A 337 -2.651 8.170 7.269 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.711 9.028 6.872 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.491 8.997 7.821 1.00 0.00 C ATOM 0 H THR A 337 -4.209 6.806 5.865 1.00 0.00 H new ATOM 0 HA THR A 337 -1.693 8.038 5.351 1.00 0.00 H new ATOM 0 HB THR A 337 -3.018 7.493 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.024 9.541 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.833 9.576 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.685 8.332 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 337 -1.127 9.674 7.048 1.00 0.00 H new ATOM 819 N LYS A 338 -1.691 5.320 7.232 1.00 0.00 N ATOM 820 CA LYS A 338 -0.817 4.244 7.754 1.00 0.00 C ATOM 821 C LYS A 338 0.151 3.805 6.648 1.00 0.00 C ATOM 822 O LYS A 338 1.327 3.613 6.879 1.00 0.00 O ATOM 823 CB LYS A 338 -1.700 3.072 8.192 1.00 0.00 C ATOM 824 CG LYS A 338 -0.894 2.096 9.070 1.00 0.00 C ATOM 825 CD LYS A 338 -1.060 2.466 10.551 1.00 0.00 C ATOM 826 CE LYS A 338 -0.001 1.750 11.396 1.00 0.00 C ATOM 827 NZ LYS A 338 0.001 2.328 12.769 1.00 0.00 N ATOM 0 H LYS A 338 -2.684 5.204 7.433 1.00 0.00 H new ATOM 0 HA LYS A 338 -0.237 4.596 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.562 3.444 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -2.085 2.551 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 338 -1.235 1.075 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.160 2.130 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -0.968 3.545 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.057 2.189 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.213 0.682 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.983 1.862 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.718 1.846 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 0.222 3.343 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -0.936 2.199 13.201 1.00 0.00 H new ATOM 841 N PHE A 339 -0.330 3.675 5.441 1.00 0.00 N ATOM 842 CA PHE A 339 0.573 3.285 4.321 1.00 0.00 C ATOM 843 C PHE A 339 1.594 4.405 4.107 1.00 0.00 C ATOM 844 O PHE A 339 2.782 4.217 4.251 1.00 0.00 O ATOM 845 CB PHE A 339 -0.239 3.085 3.039 1.00 0.00 C ATOM 846 CG PHE A 339 0.690 2.672 1.920 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.048 1.326 1.768 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.199 3.633 1.039 1.00 0.00 C ATOM 849 CE1 PHE A 339 1.917 0.943 0.738 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.066 3.250 0.007 1.00 0.00 C ATOM 851 CZ PHE A 339 2.426 1.904 -0.144 1.00 0.00 C ATOM 0 H PHE A 339 -1.306 3.821 5.183 1.00 0.00 H new ATOM 0 HA PHE A 339 1.081 2.352 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -1.003 2.323 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.758 4.007 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 339 0.654 0.583 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.923 4.671 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.195 -0.094 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.457 3.993 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.095 1.609 -0.939 1.00 0.00 H new ATOM 861 N THR A 340 1.129 5.576 3.767 1.00 0.00 N ATOM 862 CA THR A 340 2.059 6.722 3.546 1.00 0.00 C ATOM 863 C THR A 340 3.079 6.786 4.687 1.00 0.00 C ATOM 864 O THR A 340 4.239 7.085 4.480 1.00 0.00 O ATOM 865 CB THR A 340 1.252 8.023 3.506 1.00 0.00 C ATOM 866 OG1 THR A 340 0.348 7.984 2.410 1.00 0.00 O ATOM 867 CG2 THR A 340 2.202 9.213 3.352 1.00 0.00 C ATOM 0 H THR A 340 0.141 5.790 3.632 1.00 0.00 H new ATOM 0 HA THR A 340 2.587 6.588 2.602 1.00 0.00 H new ATOM 0 HB THR A 340 0.691 8.132 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.171 8.815 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.625 10.138 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 340 2.891 9.240 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.767 9.110 2.426 1.00 0.00 H new ATOM 875 N GLN A 341 2.658 6.505 5.889 1.00 0.00 N ATOM 876 CA GLN A 341 3.605 6.545 7.041 1.00 0.00 C ATOM 877 C GLN A 341 4.718 5.533 6.808 1.00 0.00 C ATOM 878 O GLN A 341 5.876 5.798 7.068 1.00 0.00 O ATOM 879 CB GLN A 341 2.857 6.199 8.329 1.00 0.00 C ATOM 880 CG GLN A 341 1.892 7.335 8.681 1.00 0.00 C ATOM 881 CD GLN A 341 2.666 8.492 9.318 1.00 0.00 C ATOM 882 OE1 GLN A 341 3.088 8.403 10.454 1.00 0.00 O ATOM 883 NE2 GLN A 341 2.871 9.580 8.629 1.00 0.00 N ATOM 0 H GLN A 341 1.699 6.249 6.124 1.00 0.00 H new ATOM 0 HA GLN A 341 4.032 7.544 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.307 5.266 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.565 6.044 9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.378 7.679 7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.127 6.975 9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 341 2.517 9.654 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 341 3.386 10.357 9.044 1.00 0.00 H new ATOM 892 N TYR A 342 4.383 4.375 6.311 1.00 0.00 N ATOM 893 CA TYR A 342 5.442 3.357 6.056 1.00 0.00 C ATOM 894 C TYR A 342 6.534 4.006 5.202 1.00 0.00 C ATOM 895 O TYR A 342 7.709 3.897 5.482 1.00 0.00 O ATOM 896 CB TYR A 342 4.844 2.143 5.333 1.00 0.00 C ATOM 897 CG TYR A 342 5.946 1.191 4.906 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.869 0.706 5.845 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.043 0.793 3.566 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.883 -0.171 5.443 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.058 -0.086 3.168 1.00 0.00 C ATOM 902 CZ TYR A 342 7.978 -0.566 4.105 1.00 0.00 C ATOM 903 OH TYR A 342 8.979 -1.429 3.711 1.00 0.00 O ATOM 0 H TYR A 342 3.433 4.091 6.072 1.00 0.00 H new ATOM 0 HA TYR A 342 5.867 3.010 6.998 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.143 1.628 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.280 2.472 4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.797 1.010 6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.335 1.164 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.593 -0.543 6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.130 -0.394 2.135 1.00 0.00 H new ATOM 0 HH TYR A 342 9.213 -2.021 4.456 1.00 0.00 H new ATOM 913 N LEU A 343 6.148 4.706 4.173 1.00 0.00 N ATOM 914 CA LEU A 343 7.157 5.396 3.322 1.00 0.00 C ATOM 915 C LEU A 343 7.777 6.537 4.126 1.00 0.00 C ATOM 916 O LEU A 343 8.975 6.760 4.090 1.00 0.00 O ATOM 917 CB LEU A 343 6.482 5.964 2.073 1.00 0.00 C ATOM 918 CG LEU A 343 5.590 4.901 1.408 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.266 5.346 -0.015 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.316 3.556 1.342 1.00 0.00 C ATOM 0 H LEU A 343 5.178 4.830 3.884 1.00 0.00 H new ATOM 0 HA LEU A 343 7.928 4.688 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 343 5.882 6.834 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.239 6.304 1.367 1.00 0.00 H new ATOM 0 HG LEU A 343 4.679 4.789 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.634 4.599 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.741 6.301 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.191 5.456 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.670 2.817 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.231 3.665 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.565 3.227 2.351 1.00 0.00 H new ATOM 932 N SER A 344 6.969 7.252 4.864 1.00 0.00 N ATOM 933 CA SER A 344 7.503 8.373 5.684 1.00 0.00 C ATOM 934 C SER A 344 8.601 7.834 6.598 1.00 0.00 C ATOM 935 O SER A 344 9.285 8.580 7.271 1.00 0.00 O ATOM 936 CB SER A 344 6.380 8.976 6.531 1.00 0.00 C ATOM 937 OG SER A 344 5.195 9.058 5.750 1.00 0.00 O ATOM 0 H SER A 344 5.962 7.106 4.933 1.00 0.00 H new ATOM 0 HA SER A 344 7.909 9.146 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.205 8.362 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.666 9.967 6.883 1.00 0.00 H new ATOM 0 HG SER A 344 4.893 8.155 5.518 1.00 0.00 H new ATOM 943 N THR A 345 8.775 6.536 6.620 1.00 0.00 N ATOM 944 CA THR A 345 9.829 5.925 7.482 1.00 0.00 C ATOM 945 C THR A 345 10.538 4.819 6.693 1.00 0.00 C ATOM 946 O THR A 345 11.291 4.036 7.239 1.00 0.00 O ATOM 947 CB THR A 345 9.192 5.371 8.769 1.00 0.00 C ATOM 948 OG1 THR A 345 10.214 5.042 9.699 1.00 0.00 O ATOM 949 CG2 THR A 345 8.356 4.127 8.471 1.00 0.00 C ATOM 0 H THR A 345 8.228 5.871 6.074 1.00 0.00 H new ATOM 0 HA THR A 345 10.564 6.677 7.769 1.00 0.00 H new ATOM 0 HB THR A 345 8.538 6.136 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 345 10.986 4.675 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 345 7.916 3.754 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.562 4.382 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 345 8.992 3.357 8.035 1.00 0.00 H new ATOM 957 N ASN A 346 10.337 4.783 5.394 1.00 0.00 N ATOM 958 CA ASN A 346 11.033 3.772 4.540 1.00 0.00 C ATOM 959 C ASN A 346 11.455 4.480 3.249 1.00 0.00 C ATOM 960 O ASN A 346 11.009 4.147 2.169 1.00 0.00 O ATOM 961 CB ASN A 346 10.095 2.597 4.218 1.00 0.00 C ATOM 962 CG ASN A 346 10.710 1.727 3.117 1.00 0.00 C ATOM 963 OD1 ASN A 346 10.100 1.629 1.965 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 11.754 1.134 3.304 1.00 0.00 N flip ATOM 0 H ASN A 346 9.716 5.416 4.889 1.00 0.00 H new ATOM 0 HA ASN A 346 11.900 3.366 5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 346 9.925 2.000 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.124 2.973 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.230 1.210 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 346 12.154 0.560 2.562 1.00 0.00 H new ATOM 971 N PRO A 347 12.306 5.472 3.373 1.00 0.00 N ATOM 972 CA PRO A 347 12.798 6.269 2.216 1.00 0.00 C ATOM 973 C PRO A 347 13.086 5.412 0.979 1.00 0.00 C ATOM 974 O PRO A 347 12.722 5.770 -0.121 1.00 0.00 O ATOM 975 CB PRO A 347 14.086 6.906 2.747 1.00 0.00 C ATOM 976 CG PRO A 347 13.851 7.078 4.214 1.00 0.00 C ATOM 977 CD PRO A 347 12.901 5.945 4.639 1.00 0.00 C ATOM 0 HA PRO A 347 12.055 6.992 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 347 14.950 6.269 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.283 7.863 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 347 14.789 7.025 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.411 8.053 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 347 13.439 5.146 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.136 6.305 5.328 1.00 0.00 H new ATOM 985 N ALA A 348 13.747 4.291 1.155 1.00 0.00 N ATOM 986 CA ALA A 348 14.081 3.399 -0.005 1.00 0.00 C ATOM 987 C ALA A 348 12.948 3.411 -1.038 1.00 0.00 C ATOM 988 O ALA A 348 13.169 3.594 -2.225 1.00 0.00 O ATOM 989 CB ALA A 348 14.287 1.971 0.504 1.00 0.00 C ATOM 0 H ALA A 348 14.072 3.952 2.060 1.00 0.00 H new ATOM 0 HA ALA A 348 14.991 3.764 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.530 1.318 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.105 1.956 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.373 1.621 0.984 1.00 0.00 H new ATOM 995 N LEU A 349 11.736 3.234 -0.601 1.00 0.00 N ATOM 996 CA LEU A 349 10.609 3.249 -1.564 1.00 0.00 C ATOM 997 C LEU A 349 10.402 4.686 -2.051 1.00 0.00 C ATOM 998 O LEU A 349 10.207 4.926 -3.221 1.00 0.00 O ATOM 999 CB LEU A 349 9.330 2.729 -0.885 1.00 0.00 C ATOM 1000 CG LEU A 349 9.247 1.191 -0.977 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.997 0.704 -0.229 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.176 0.730 -2.454 1.00 0.00 C ATOM 0 H LEU A 349 11.479 3.081 0.374 1.00 0.00 H new ATOM 0 HA LEU A 349 10.835 2.602 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.317 3.036 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.455 3.174 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 349 10.143 0.766 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.935 -0.382 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.059 1.004 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.108 1.145 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.118 -0.358 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.292 1.158 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.068 1.065 -2.983 1.00 0.00 H new ATOM 1014 N GLN A 350 10.451 5.651 -1.168 1.00 0.00 N ATOM 1015 CA GLN A 350 10.262 7.063 -1.614 1.00 0.00 C ATOM 1016 C GLN A 350 11.161 7.326 -2.825 1.00 0.00 C ATOM 1017 O GLN A 350 10.836 8.113 -3.693 1.00 0.00 O ATOM 1018 CB GLN A 350 10.624 8.023 -0.480 1.00 0.00 C ATOM 1019 CG GLN A 350 9.665 7.814 0.693 1.00 0.00 C ATOM 1020 CD GLN A 350 9.973 8.839 1.785 1.00 0.00 C ATOM 1021 OE1 GLN A 350 10.063 10.101 1.468 1.00 0.00 O flip ATOM 1022 NE2 GLN A 350 10.134 8.487 2.937 1.00 0.00 N flip ATOM 0 H GLN A 350 10.612 5.524 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 350 9.219 7.224 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.651 7.851 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.568 9.054 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.633 7.921 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.769 6.803 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 350 10.063 7.500 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 350 10.340 9.179 3.658 1.00 0.00 H new ATOM 1031 N ARG A 351 12.280 6.654 -2.903 1.00 0.00 N ATOM 1032 CA ARG A 351 13.178 6.852 -4.074 1.00 0.00 C ATOM 1033 C ARG A 351 12.463 6.329 -5.314 1.00 0.00 C ATOM 1034 O ARG A 351 12.339 7.013 -6.310 1.00 0.00 O ATOM 1035 CB ARG A 351 14.484 6.074 -3.878 1.00 0.00 C ATOM 1036 CG ARG A 351 15.023 6.325 -2.472 1.00 0.00 C ATOM 1037 CD ARG A 351 16.429 5.736 -2.346 1.00 0.00 C ATOM 1038 NE ARG A 351 17.331 6.372 -3.347 1.00 0.00 N ATOM 1039 CZ ARG A 351 18.626 6.261 -3.221 1.00 0.00 C ATOM 1040 NH1 ARG A 351 19.129 5.607 -2.209 1.00 0.00 N ATOM 1041 NH2 ARG A 351 19.416 6.805 -4.105 1.00 0.00 N ATOM 0 H ARG A 351 12.608 5.981 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 351 13.415 7.910 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.310 5.008 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 351 15.219 6.384 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 351 15.047 7.395 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.362 5.874 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.814 5.900 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.398 4.658 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 351 16.937 6.894 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.510 5.183 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 351 20.140 5.520 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 351 19.022 7.317 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 351 20.428 6.718 -4.007 1.00 0.00 H new ATOM 1055 N ILE A 352 11.983 5.114 -5.256 1.00 0.00 N ATOM 1056 CA ILE A 352 11.264 4.543 -6.435 1.00 0.00 C ATOM 1057 C ILE A 352 9.802 4.998 -6.406 1.00 0.00 C ATOM 1058 O ILE A 352 9.327 5.657 -7.308 1.00 0.00 O ATOM 1059 CB ILE A 352 11.315 3.015 -6.382 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.755 2.550 -6.140 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.819 2.448 -7.713 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.770 1.036 -5.929 1.00 0.00 C ATOM 0 H ILE A 352 12.057 4.495 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 352 11.742 4.890 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 352 10.681 2.661 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.383 2.816 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.170 3.054 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.854 1.359 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.793 2.773 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.456 2.807 -8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.793 0.703 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.156 0.783 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.372 0.541 -6.815 1.00 0.00 H new ATOM 1074 N ILE A 353 9.089 4.660 -5.366 1.00 0.00 N ATOM 1075 CA ILE A 353 7.662 5.078 -5.263 1.00 0.00 C ATOM 1076 C ILE A 353 7.604 6.587 -4.999 1.00 0.00 C ATOM 1077 O ILE A 353 7.506 7.384 -5.912 1.00 0.00 O ATOM 1078 CB ILE A 353 6.998 4.306 -4.109 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.748 2.858 -4.560 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.665 4.962 -3.721 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.214 2.007 -3.398 1.00 0.00 C ATOM 0 H ILE A 353 9.435 4.110 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 353 7.132 4.858 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 353 7.656 4.321 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 353 6.033 2.847 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.674 2.425 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.209 4.403 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.844 5.989 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 353 4.995 4.960 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.045 0.987 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.942 2.001 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.275 2.429 -3.039 1.00 0.00 H new