USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 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 Single : A 290 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 293 THR OG1 : rot -120:sc= -0.493 USER MOD Single : A 294 MET CE :methyl -104:sc= 0 (180deg=-0.321) USER MOD Single : A 295 LYS NZ :NH3+ 152:sc= -0.835 (180deg=-1.81!) USER MOD Single : A 301 THR OG1 : rot -169:sc= -0.429 USER MOD Single : A 305 GLN : amide:sc= -0.0808 X(o=-0.081,f=0) USER MOD Single : A 306 THR OG1 : rot 77:sc= 0.424 USER MOD Single : A 310 HIS : no HE2:sc= -6.17! C(o=-6.2!,f=-14!) USER MOD Single : A 311 LYS NZ :NH3+ -158:sc= -0.0371 (180deg=-0.309) USER MOD Single : A 312 CYS SG : rot -72:sc= -0.639! USER MOD Single : A 313 GLN : amide:sc= 0 X(o=0,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 27:sc= -0.834 USER MOD Single : A 325 THR OG1 : rot 180:sc= -0.264 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= 0.0437 K(o=0.044,f=-1.3) 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 78:sc= 0.151 USER MOD Single : A 341 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.6!) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.0724 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -37:sc= 0.537 USER MOD Single : A 346 ASN : amide:sc= -5.16 K(o=-5.2,f=-1.1) USER MOD Single : A 350 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.706 3.028 2.872 1.00 0.00 N ATOM 2 CA PHE A 289 -18.407 2.447 2.451 1.00 0.00 C ATOM 3 C PHE A 289 -18.032 3.006 1.082 1.00 0.00 C ATOM 4 O PHE A 289 -17.163 2.497 0.406 1.00 0.00 O ATOM 5 CB PHE A 289 -18.542 0.931 2.344 1.00 0.00 C ATOM 6 CG PHE A 289 -19.205 0.390 3.585 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.442 0.108 4.724 1.00 0.00 C ATOM 8 CD2 PHE A 289 -20.586 0.167 3.595 1.00 0.00 C ATOM 9 CE1 PHE A 289 -19.061 -0.395 5.874 1.00 0.00 C ATOM 10 CE2 PHE A 289 -21.207 -0.337 4.744 1.00 0.00 C ATOM 11 CZ PHE A 289 -20.444 -0.618 5.883 1.00 0.00 C ATOM 0 HA PHE A 289 -17.639 2.699 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.129 0.670 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.559 0.477 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -17.376 0.279 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -21.174 0.384 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.473 -0.611 6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -22.273 -0.509 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 289 -20.922 -1.007 6.770 1.00 0.00 H new ATOM 21 N SER A 290 -18.706 4.036 0.665 1.00 0.00 N ATOM 22 CA SER A 290 -18.433 4.637 -0.674 1.00 0.00 C ATOM 23 C SER A 290 -17.428 5.791 -0.566 1.00 0.00 C ATOM 24 O SER A 290 -16.540 5.921 -1.385 1.00 0.00 O ATOM 25 CB SER A 290 -19.763 5.142 -1.278 1.00 0.00 C ATOM 26 OG SER A 290 -20.842 4.661 -0.488 1.00 0.00 O ATOM 0 H SER A 290 -19.444 4.496 1.198 1.00 0.00 H new ATOM 0 HA SER A 290 -17.997 3.877 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.774 6.232 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.865 4.795 -2.306 1.00 0.00 H new ATOM 0 HG SER A 290 -21.690 4.979 -0.864 1.00 0.00 H new ATOM 32 N PRO A 291 -17.584 6.639 0.410 1.00 0.00 N ATOM 33 CA PRO A 291 -16.702 7.814 0.594 1.00 0.00 C ATOM 34 C PRO A 291 -15.465 7.527 1.455 1.00 0.00 C ATOM 35 O PRO A 291 -14.364 7.910 1.116 1.00 0.00 O ATOM 36 CB PRO A 291 -17.631 8.817 1.279 1.00 0.00 C ATOM 37 CG PRO A 291 -18.560 7.977 2.108 1.00 0.00 C ATOM 38 CD PRO A 291 -18.616 6.581 1.453 1.00 0.00 C ATOM 0 HA PRO A 291 -16.279 8.160 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.070 9.516 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.180 9.410 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.202 7.906 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.553 8.425 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.410 5.792 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.600 6.377 1.031 1.00 0.00 H new ATOM 46 N GLU A 292 -15.635 6.889 2.580 1.00 0.00 N ATOM 47 CA GLU A 292 -14.453 6.618 3.465 1.00 0.00 C ATOM 48 C GLU A 292 -13.775 5.291 3.109 1.00 0.00 C ATOM 49 O GLU A 292 -12.589 5.232 2.845 1.00 0.00 O ATOM 50 CB GLU A 292 -14.903 6.592 4.934 1.00 0.00 C ATOM 51 CG GLU A 292 -16.016 5.552 5.142 1.00 0.00 C ATOM 52 CD GLU A 292 -16.812 5.891 6.406 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.313 5.619 7.487 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.904 6.416 6.272 1.00 0.00 O ATOM 0 H GLU A 292 -16.530 6.544 2.928 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.728 7.417 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.054 6.357 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.261 7.579 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.679 5.537 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -15.584 4.555 5.230 1.00 0.00 H new ATOM 61 N THR A 293 -14.516 4.227 3.136 1.00 0.00 N ATOM 62 CA THR A 293 -13.938 2.885 2.847 1.00 0.00 C ATOM 63 C THR A 293 -13.419 2.789 1.415 1.00 0.00 C ATOM 64 O THR A 293 -12.297 2.386 1.180 1.00 0.00 O ATOM 65 CB THR A 293 -15.030 1.838 3.039 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.689 2.060 4.279 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.423 0.441 3.026 1.00 0.00 C ATOM 0 H THR A 293 -15.514 4.226 3.349 1.00 0.00 H new ATOM 0 HA THR A 293 -13.101 2.719 3.525 1.00 0.00 H new ATOM 0 HB THR A 293 -15.749 1.920 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.592 1.268 4.847 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.211 -0.299 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.926 0.269 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.697 0.352 3.834 1.00 0.00 H new ATOM 75 N MET A 294 -14.230 3.111 0.453 1.00 0.00 N ATOM 76 CA MET A 294 -13.772 2.981 -0.953 1.00 0.00 C ATOM 77 C MET A 294 -12.554 3.880 -1.181 1.00 0.00 C ATOM 78 O MET A 294 -11.612 3.497 -1.841 1.00 0.00 O ATOM 79 CB MET A 294 -14.916 3.352 -1.907 1.00 0.00 C ATOM 80 CG MET A 294 -14.811 2.520 -3.193 1.00 0.00 C ATOM 81 SD MET A 294 -16.168 2.958 -4.311 1.00 0.00 S ATOM 82 CE MET A 294 -17.445 1.887 -3.593 1.00 0.00 C ATOM 0 H MET A 294 -15.182 3.456 0.576 1.00 0.00 H new ATOM 0 HA MET A 294 -13.481 1.949 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.877 3.173 -1.424 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.873 4.415 -2.146 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.852 2.702 -3.679 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.851 1.457 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.594 1.018 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.129 1.558 -2.603 1.00 0.00 H new ATOM 0 HE3 MET A 294 -18.380 2.441 -3.510 1.00 0.00 H new ATOM 92 N LYS A 295 -12.550 5.063 -0.630 1.00 0.00 N ATOM 93 CA LYS A 295 -11.371 5.955 -0.814 1.00 0.00 C ATOM 94 C LYS A 295 -10.113 5.173 -0.434 1.00 0.00 C ATOM 95 O LYS A 295 -9.071 5.327 -1.038 1.00 0.00 O ATOM 96 CB LYS A 295 -11.530 7.206 0.076 1.00 0.00 C ATOM 97 CG LYS A 295 -12.094 8.386 -0.738 1.00 0.00 C ATOM 98 CD LYS A 295 -13.327 7.949 -1.561 1.00 0.00 C ATOM 99 CE LYS A 295 -14.263 9.144 -1.778 1.00 0.00 C ATOM 100 NZ LYS A 295 -15.474 8.695 -2.522 1.00 0.00 N ATOM 0 H LYS A 295 -13.306 5.448 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.293 6.282 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -12.195 6.983 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.565 7.480 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.370 9.198 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.324 8.773 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.009 7.547 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -13.857 7.151 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -14.551 9.574 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -13.749 9.926 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -16.279 9.305 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -15.295 8.755 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -15.693 7.711 -2.267 1.00 0.00 H new ATOM 114 N ALA A 296 -10.205 4.318 0.544 1.00 0.00 N ATOM 115 CA ALA A 296 -9.010 3.520 0.922 1.00 0.00 C ATOM 116 C ALA A 296 -8.664 2.588 -0.242 1.00 0.00 C ATOM 117 O ALA A 296 -7.529 2.496 -0.662 1.00 0.00 O ATOM 118 CB ALA A 296 -9.318 2.700 2.168 1.00 0.00 C ATOM 0 H ALA A 296 -11.046 4.139 1.092 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.168 4.178 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.441 2.115 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.581 3.369 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.152 2.029 1.965 1.00 0.00 H new ATOM 124 N ARG A 297 -9.642 1.908 -0.780 1.00 0.00 N ATOM 125 CA ARG A 297 -9.372 1.001 -1.933 1.00 0.00 C ATOM 126 C ARG A 297 -8.885 1.844 -3.108 1.00 0.00 C ATOM 127 O ARG A 297 -7.821 1.625 -3.646 1.00 0.00 O ATOM 128 CB ARG A 297 -10.656 0.271 -2.327 1.00 0.00 C ATOM 129 CG ARG A 297 -11.344 -0.245 -1.068 1.00 0.00 C ATOM 130 CD ARG A 297 -12.492 -1.182 -1.460 1.00 0.00 C ATOM 131 NE ARG A 297 -13.132 -0.694 -2.713 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.901 -1.492 -3.405 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.099 -2.717 -3.004 1.00 0.00 N ATOM 134 NH2 ARG A 297 -14.469 -1.064 -4.501 1.00 0.00 N ATOM 0 H ARG A 297 -10.614 1.942 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.616 0.265 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.320 0.944 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -10.427 -0.558 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.627 -0.774 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -11.726 0.590 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.115 -2.195 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.228 -1.226 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.970 0.262 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -13.653 -3.052 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.699 -3.340 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -14.312 -0.107 -4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -15.069 -1.687 -5.041 1.00 0.00 H new ATOM 148 N ARG A 298 -9.653 2.824 -3.500 1.00 0.00 N ATOM 149 CA ARG A 298 -9.228 3.698 -4.626 1.00 0.00 C ATOM 150 C ARG A 298 -7.782 4.129 -4.372 1.00 0.00 C ATOM 151 O ARG A 298 -6.967 4.174 -5.274 1.00 0.00 O ATOM 152 CB ARG A 298 -10.150 4.924 -4.685 1.00 0.00 C ATOM 153 CG ARG A 298 -11.414 4.611 -5.506 1.00 0.00 C ATOM 154 CD ARG A 298 -11.142 4.824 -7.001 1.00 0.00 C ATOM 155 NE ARG A 298 -12.380 4.525 -7.773 1.00 0.00 N ATOM 156 CZ ARG A 298 -12.476 4.901 -9.018 1.00 0.00 C ATOM 157 NH1 ARG A 298 -11.487 5.537 -9.585 1.00 0.00 N ATOM 158 NH2 ARG A 298 -13.558 4.639 -9.698 1.00 0.00 N ATOM 0 H ARG A 298 -10.557 3.056 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.291 3.168 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.430 5.224 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.619 5.765 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -11.726 3.582 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -12.234 5.252 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -10.826 5.851 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -10.329 4.177 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 298 -13.151 4.027 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -10.640 5.740 -9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -11.561 5.831 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -14.330 4.140 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -13.632 4.933 -10.672 1.00 0.00 H new ATOM 172 N ALA A 299 -7.448 4.409 -3.141 1.00 0.00 N ATOM 173 CA ALA A 299 -6.048 4.790 -2.832 1.00 0.00 C ATOM 174 C ALA A 299 -5.175 3.562 -3.086 1.00 0.00 C ATOM 175 O ALA A 299 -4.074 3.664 -3.583 1.00 0.00 O ATOM 176 CB ALA A 299 -5.931 5.218 -1.368 1.00 0.00 C ATOM 0 H ALA A 299 -8.083 4.390 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.731 5.626 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.899 5.496 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.583 6.072 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -6.227 4.391 -0.722 1.00 0.00 H new ATOM 182 N TRP A 300 -5.684 2.397 -2.768 1.00 0.00 N ATOM 183 CA TRP A 300 -4.911 1.145 -3.006 1.00 0.00 C ATOM 184 C TRP A 300 -4.801 0.903 -4.512 1.00 0.00 C ATOM 185 O TRP A 300 -3.969 0.145 -4.967 1.00 0.00 O ATOM 186 CB TRP A 300 -5.629 -0.047 -2.363 1.00 0.00 C ATOM 187 CG TRP A 300 -5.777 0.079 -0.859 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.677 -0.649 -0.146 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.060 0.910 0.138 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.549 -0.356 1.190 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.580 0.588 1.424 1.00 0.00 C ATOM 192 CE3 TRP A 300 -4.027 1.883 0.088 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -5.104 1.188 2.585 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.554 2.485 1.268 1.00 0.00 C ATOM 195 CH2 TRP A 300 -4.090 2.134 2.510 1.00 0.00 C ATOM 0 H TRP A 300 -6.606 2.262 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.919 1.249 -2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.617 -0.151 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.078 -0.960 -2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.384 -1.350 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.109 -0.790 1.924 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.601 2.163 -0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.522 0.919 3.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.769 3.225 1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.716 2.598 3.411 1.00 0.00 H new ATOM 206 N THR A 301 -5.618 1.552 -5.290 1.00 0.00 N ATOM 207 CA THR A 301 -5.542 1.363 -6.764 1.00 0.00 C ATOM 208 C THR A 301 -4.296 2.073 -7.300 1.00 0.00 C ATOM 209 O THR A 301 -3.554 1.541 -8.102 1.00 0.00 O ATOM 210 CB THR A 301 -6.783 1.972 -7.411 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.929 1.596 -6.665 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.920 1.473 -8.852 1.00 0.00 C ATOM 0 H THR A 301 -6.334 2.204 -4.970 1.00 0.00 H new ATOM 0 HA THR A 301 -5.488 0.300 -6.997 1.00 0.00 H new ATOM 0 HB THR A 301 -6.690 3.058 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.737 1.834 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.808 1.912 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.038 1.764 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.011 0.387 -8.854 1.00 0.00 H new ATOM 220 N ASP A 302 -4.077 3.285 -6.864 1.00 0.00 N ATOM 221 CA ASP A 302 -2.898 4.060 -7.341 1.00 0.00 C ATOM 222 C ASP A 302 -1.600 3.329 -6.989 1.00 0.00 C ATOM 223 O ASP A 302 -0.717 3.189 -7.810 1.00 0.00 O ATOM 224 CB ASP A 302 -2.900 5.437 -6.678 1.00 0.00 C ATOM 225 CG ASP A 302 -1.900 6.348 -7.391 1.00 0.00 C ATOM 226 OD1 ASP A 302 -1.944 6.402 -8.610 1.00 0.00 O ATOM 227 OD2 ASP A 302 -1.110 6.977 -6.708 1.00 0.00 O ATOM 0 H ASP A 302 -4.670 3.774 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.959 4.167 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.899 5.872 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.637 5.345 -5.624 1.00 0.00 H new ATOM 232 N VAL A 303 -1.467 2.866 -5.776 1.00 0.00 N ATOM 233 CA VAL A 303 -0.217 2.157 -5.397 1.00 0.00 C ATOM 234 C VAL A 303 -0.219 0.751 -6.005 1.00 0.00 C ATOM 235 O VAL A 303 0.818 0.164 -6.225 1.00 0.00 O ATOM 236 CB VAL A 303 -0.111 2.062 -3.869 1.00 0.00 C ATOM 237 CG1 VAL A 303 0.319 3.417 -3.296 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.466 1.663 -3.281 1.00 0.00 C ATOM 0 H VAL A 303 -2.166 2.948 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 303 0.639 2.714 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 303 0.631 1.308 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 303 0.393 3.346 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 303 1.289 3.695 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -0.419 4.175 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.386 1.597 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.212 2.413 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.766 0.695 -3.683 1.00 0.00 H new ATOM 248 N ILE A 304 -1.370 0.200 -6.285 1.00 0.00 N ATOM 249 CA ILE A 304 -1.392 -1.168 -6.877 1.00 0.00 C ATOM 250 C ILE A 304 -0.576 -1.151 -8.179 1.00 0.00 C ATOM 251 O ILE A 304 0.174 -2.066 -8.459 1.00 0.00 O ATOM 252 CB ILE A 304 -2.865 -1.590 -7.122 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.361 -2.458 -5.951 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.018 -2.387 -8.425 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.891 -2.561 -5.978 1.00 0.00 C ATOM 0 H ILE A 304 -2.282 0.630 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.944 -1.897 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.458 -0.679 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.921 -3.453 -6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -3.035 -2.026 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.063 -2.664 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.692 -1.775 -9.266 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.407 -3.288 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.229 -3.177 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.324 -1.565 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.209 -3.014 -6.917 1.00 0.00 H new ATOM 267 N GLN A 305 -0.707 -0.122 -8.970 1.00 0.00 N ATOM 268 CA GLN A 305 0.075 -0.063 -10.238 1.00 0.00 C ATOM 269 C GLN A 305 1.524 0.321 -9.922 1.00 0.00 C ATOM 270 O GLN A 305 2.445 -0.097 -10.597 1.00 0.00 O ATOM 271 CB GLN A 305 -0.541 0.972 -11.184 1.00 0.00 C ATOM 272 CG GLN A 305 -0.777 2.282 -10.436 1.00 0.00 C ATOM 273 CD GLN A 305 -1.164 3.376 -11.433 1.00 0.00 C ATOM 274 OE1 GLN A 305 -2.216 3.971 -11.321 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.352 3.667 -12.413 1.00 0.00 N ATOM 0 H GLN A 305 -1.318 0.676 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 305 0.054 -1.040 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.121 1.142 -12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.483 0.597 -11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.567 2.153 -9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.123 2.571 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.532 3.168 -12.508 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -0.602 4.394 -13.084 1.00 0.00 H new ATOM 284 N THR A 306 1.737 1.107 -8.898 1.00 0.00 N ATOM 285 CA THR A 306 3.132 1.502 -8.545 1.00 0.00 C ATOM 286 C THR A 306 3.876 0.281 -8.010 1.00 0.00 C ATOM 287 O THR A 306 4.937 -0.063 -8.483 1.00 0.00 O ATOM 288 CB THR A 306 3.115 2.585 -7.464 1.00 0.00 C ATOM 289 OG1 THR A 306 2.251 3.640 -7.863 1.00 0.00 O ATOM 290 CG2 THR A 306 4.531 3.128 -7.260 1.00 0.00 C ATOM 0 H THR A 306 1.009 1.490 -8.295 1.00 0.00 H new ATOM 0 HA THR A 306 3.629 1.889 -9.434 1.00 0.00 H new ATOM 0 HB THR A 306 2.755 2.158 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.319 3.366 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.517 3.899 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.190 2.317 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.895 3.555 -8.195 1.00 0.00 H new ATOM 298 N LEU A 307 3.322 -0.381 -7.027 1.00 0.00 N ATOM 299 CA LEU A 307 3.991 -1.590 -6.459 1.00 0.00 C ATOM 300 C LEU A 307 4.465 -2.473 -7.620 1.00 0.00 C ATOM 301 O LEU A 307 5.551 -3.016 -7.604 1.00 0.00 O ATOM 302 CB LEU A 307 2.976 -2.370 -5.599 1.00 0.00 C ATOM 303 CG LEU A 307 3.016 -1.938 -4.113 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.189 -2.612 -3.394 1.00 0.00 C ATOM 305 CD2 LEU A 307 3.145 -0.407 -3.981 1.00 0.00 C ATOM 0 H LEU A 307 2.433 -0.136 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 307 4.841 -1.300 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 307 1.972 -2.215 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.185 -3.437 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 307 2.079 -2.250 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.204 -2.299 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.074 -3.695 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.124 -2.323 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.171 -0.134 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 307 4.065 -0.076 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 307 2.291 0.073 -4.459 1.00 0.00 H new ATOM 317 N ARG A 308 3.650 -2.608 -8.630 1.00 0.00 N ATOM 318 CA ARG A 308 4.041 -3.442 -9.798 1.00 0.00 C ATOM 319 C ARG A 308 5.332 -2.885 -10.399 1.00 0.00 C ATOM 320 O ARG A 308 6.090 -3.593 -11.033 1.00 0.00 O ATOM 321 CB ARG A 308 2.923 -3.408 -10.844 1.00 0.00 C ATOM 322 CG ARG A 308 3.106 -4.564 -11.827 1.00 0.00 C ATOM 323 CD ARG A 308 1.971 -4.548 -12.852 1.00 0.00 C ATOM 324 NE ARG A 308 2.297 -5.479 -13.970 1.00 0.00 N ATOM 325 CZ ARG A 308 1.360 -5.859 -14.797 1.00 0.00 C ATOM 326 NH1 ARG A 308 0.138 -5.426 -14.646 1.00 0.00 N ATOM 327 NH2 ARG A 308 1.648 -6.674 -15.776 1.00 0.00 N ATOM 0 H ARG A 308 2.729 -2.175 -8.695 1.00 0.00 H new ATOM 0 HA ARG A 308 4.203 -4.472 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.952 -3.483 -10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.939 -2.458 -11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.068 -4.476 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.113 -5.513 -11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.035 -4.845 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.828 -3.538 -13.236 1.00 0.00 H new ATOM 0 HE ARG A 308 3.251 -5.819 -14.089 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -0.087 -4.790 -13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -0.592 -5.724 -15.293 1.00 0.00 H new ATOM 0 HH21 ARG A 308 2.603 -7.012 -15.894 1.00 0.00 H new ATOM 0 HH22 ARG A 308 0.918 -6.972 -16.423 1.00 0.00 H new ATOM 341 N GLU A 309 5.591 -1.621 -10.198 1.00 0.00 N ATOM 342 CA GLU A 309 6.835 -1.019 -10.750 1.00 0.00 C ATOM 343 C GLU A 309 8.022 -1.501 -9.905 1.00 0.00 C ATOM 344 O GLU A 309 9.139 -1.053 -10.068 1.00 0.00 O ATOM 345 CB GLU A 309 6.705 0.531 -10.722 1.00 0.00 C ATOM 346 CG GLU A 309 7.403 1.153 -9.495 1.00 0.00 C ATOM 347 CD GLU A 309 6.920 2.594 -9.309 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.231 3.085 -10.188 1.00 0.00 O ATOM 349 OE2 GLU A 309 7.250 3.182 -8.293 1.00 0.00 O ATOM 0 H GLU A 309 4.994 -0.980 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 309 6.996 -1.325 -11.784 1.00 0.00 H new ATOM 0 HB2 GLU A 309 7.137 0.946 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.650 0.805 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 309 7.184 0.567 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 309 8.484 1.135 -9.631 1.00 0.00 H new ATOM 356 N HIS A 310 7.769 -2.406 -8.992 1.00 0.00 N ATOM 357 CA HIS A 310 8.856 -2.928 -8.105 1.00 0.00 C ATOM 358 C HIS A 310 8.811 -4.467 -8.104 1.00 0.00 C ATOM 359 O HIS A 310 8.349 -5.085 -9.044 1.00 0.00 O ATOM 360 CB HIS A 310 8.599 -2.364 -6.677 1.00 0.00 C ATOM 361 CG HIS A 310 9.699 -1.423 -6.268 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.997 -1.857 -6.050 1.00 0.00 N ATOM 363 CD2 HIS A 310 9.704 -0.073 -6.020 1.00 0.00 C ATOM 364 CE1 HIS A 310 11.724 -0.787 -5.684 1.00 0.00 C ATOM 365 NE2 HIS A 310 10.985 0.325 -5.649 1.00 0.00 N ATOM 0 H HIS A 310 6.848 -2.809 -8.821 1.00 0.00 H new ATOM 0 HA HIS A 310 9.842 -2.619 -8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 310 7.642 -1.843 -6.654 1.00 0.00 H new ATOM 0 HB3 HIS A 310 8.533 -3.185 -5.963 1.00 0.00 H new ATOM 0 HD1 HIS A 310 11.338 -2.813 -6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 310 8.847 0.579 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 310 12.777 -0.822 -5.447 1.00 0.00 H new ATOM 373 N LYS A 311 9.270 -5.082 -7.041 1.00 0.00 N ATOM 374 CA LYS A 311 9.247 -6.574 -6.933 1.00 0.00 C ATOM 375 C LYS A 311 8.292 -6.946 -5.804 1.00 0.00 C ATOM 376 O LYS A 311 8.015 -8.104 -5.559 1.00 0.00 O ATOM 377 CB LYS A 311 10.661 -7.082 -6.620 1.00 0.00 C ATOM 378 CG LYS A 311 11.378 -6.074 -5.721 1.00 0.00 C ATOM 379 CD LYS A 311 12.716 -6.658 -5.258 1.00 0.00 C ATOM 380 CE LYS A 311 13.598 -5.539 -4.701 1.00 0.00 C ATOM 381 NZ LYS A 311 14.118 -4.712 -5.827 1.00 0.00 N ATOM 0 H LYS A 311 9.666 -4.605 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 311 8.914 -7.026 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.609 -8.053 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.221 -7.224 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.544 -5.143 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 311 10.756 -5.835 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 311 12.548 -7.417 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.218 -7.150 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.025 -4.917 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.427 -5.962 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 14.977 -4.211 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 14.344 -5.328 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 13.396 -4.020 -6.111 1.00 0.00 H new ATOM 395 N CYS A 312 7.772 -5.960 -5.128 1.00 0.00 N ATOM 396 CA CYS A 312 6.814 -6.229 -4.026 1.00 0.00 C ATOM 397 C CYS A 312 5.427 -6.378 -4.640 1.00 0.00 C ATOM 398 O CYS A 312 4.843 -5.428 -5.121 1.00 0.00 O ATOM 399 CB CYS A 312 6.825 -5.059 -3.044 1.00 0.00 C ATOM 400 SG CYS A 312 8.530 -4.689 -2.561 1.00 0.00 S ATOM 0 H CYS A 312 7.972 -4.974 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 312 7.089 -7.137 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.368 -4.182 -3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.232 -5.305 -2.163 1.00 0.00 H new ATOM 0 HG CYS A 312 8.975 -5.631 -1.783 1.00 0.00 H new ATOM 406 N GLN A 313 4.909 -7.567 -4.659 1.00 0.00 N ATOM 407 CA GLN A 313 3.577 -7.783 -5.279 1.00 0.00 C ATOM 408 C GLN A 313 2.472 -7.153 -4.407 1.00 0.00 C ATOM 409 O GLN A 313 2.417 -7.399 -3.221 1.00 0.00 O ATOM 410 CB GLN A 313 3.319 -9.286 -5.393 1.00 0.00 C ATOM 411 CG GLN A 313 4.398 -9.924 -6.268 1.00 0.00 C ATOM 412 CD GLN A 313 4.194 -11.439 -6.303 1.00 0.00 C ATOM 413 OE1 GLN A 313 4.510 -12.129 -5.354 1.00 0.00 O ATOM 414 NE2 GLN A 313 3.676 -11.991 -7.366 1.00 0.00 N ATOM 0 H GLN A 313 5.350 -8.401 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 313 3.564 -7.318 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.322 -9.742 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.334 -9.465 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.351 -9.516 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.387 -9.688 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 313 3.410 -11.413 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 313 3.537 -13.001 -7.400 1.00 0.00 H new ATOM 423 N PRO A 314 1.581 -6.356 -4.977 1.00 0.00 N ATOM 424 CA PRO A 314 0.467 -5.728 -4.207 1.00 0.00 C ATOM 425 C PRO A 314 -0.725 -6.676 -4.054 1.00 0.00 C ATOM 426 O PRO A 314 -1.112 -7.352 -4.986 1.00 0.00 O ATOM 427 CB PRO A 314 0.078 -4.535 -5.076 1.00 0.00 C ATOM 428 CG PRO A 314 0.317 -5.009 -6.473 1.00 0.00 C ATOM 429 CD PRO A 314 1.532 -5.947 -6.400 1.00 0.00 C ATOM 0 HA PRO A 314 0.763 -5.462 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.964 -4.253 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.683 -3.658 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.557 -5.532 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.511 -4.170 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.413 -6.807 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.448 -5.439 -6.701 1.00 0.00 H new ATOM 437 N ARG A 315 -1.318 -6.721 -2.891 1.00 0.00 N ATOM 438 CA ARG A 315 -2.492 -7.618 -2.670 1.00 0.00 C ATOM 439 C ARG A 315 -3.507 -6.889 -1.783 1.00 0.00 C ATOM 440 O ARG A 315 -3.220 -6.544 -0.654 1.00 0.00 O ATOM 441 CB ARG A 315 -2.043 -8.913 -1.966 1.00 0.00 C ATOM 442 CG ARG A 315 -0.767 -9.491 -2.620 1.00 0.00 C ATOM 443 CD ARG A 315 0.495 -8.950 -1.923 1.00 0.00 C ATOM 444 NE ARG A 315 0.516 -9.422 -0.510 1.00 0.00 N ATOM 445 CZ ARG A 315 1.619 -9.356 0.187 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.701 -8.856 -0.348 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.638 -9.786 1.418 1.00 0.00 N ATOM 0 H ARG A 315 -1.038 -6.171 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.941 -7.873 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -1.855 -8.710 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.844 -9.651 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.783 -10.579 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.744 -9.230 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 315 1.388 -9.291 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.504 -7.861 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 315 -0.332 -9.797 -0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.685 -8.517 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.562 -8.804 0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 315 0.792 -10.174 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.499 -9.735 1.963 1.00 0.00 H new ATOM 461 N LEU A 316 -4.692 -6.651 -2.283 1.00 0.00 N ATOM 462 CA LEU A 316 -5.723 -5.950 -1.480 1.00 0.00 C ATOM 463 C LEU A 316 -6.511 -6.991 -0.695 1.00 0.00 C ATOM 464 O LEU A 316 -7.106 -7.893 -1.250 1.00 0.00 O ATOM 465 CB LEU A 316 -6.657 -5.180 -2.421 1.00 0.00 C ATOM 466 CG LEU A 316 -7.281 -3.987 -1.689 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.136 -3.182 -2.671 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.155 -4.488 -0.533 1.00 0.00 C ATOM 0 H LEU A 316 -4.987 -6.917 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.258 -5.245 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.101 -4.831 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.442 -5.842 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.491 -3.352 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.582 -2.332 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.510 -2.822 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.926 -3.818 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.597 -3.637 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.948 -5.125 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.543 -5.059 0.165 1.00 0.00 H new ATOM 480 N LEU A 317 -6.508 -6.864 0.594 1.00 0.00 N ATOM 481 CA LEU A 317 -7.238 -7.828 1.469 1.00 0.00 C ATOM 482 C LEU A 317 -8.470 -7.125 2.016 1.00 0.00 C ATOM 483 O LEU A 317 -8.979 -6.246 1.361 1.00 0.00 O ATOM 484 CB LEU A 317 -6.312 -8.254 2.611 1.00 0.00 C ATOM 485 CG LEU A 317 -4.917 -8.528 2.042 1.00 0.00 C ATOM 486 CD1 LEU A 317 -3.989 -8.999 3.152 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.006 -9.614 0.965 1.00 0.00 C ATOM 0 H LEU A 317 -6.022 -6.120 1.095 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.541 -8.715 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.263 -7.472 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.702 -9.147 3.099 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.524 -7.609 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -2.998 -9.192 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -3.919 -8.228 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.384 -9.915 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.012 -9.808 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.405 -10.529 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -5.664 -9.279 0.164 1.00 0.00 H new ATOM 499 N TYR A 318 -8.925 -7.511 3.203 1.00 0.00 N ATOM 500 CA TYR A 318 -10.138 -6.891 3.874 1.00 0.00 C ATOM 501 C TYR A 318 -10.622 -5.640 3.112 1.00 0.00 C ATOM 502 O TYR A 318 -9.809 -4.909 2.606 1.00 0.00 O ATOM 503 CB TYR A 318 -9.721 -6.503 5.302 1.00 0.00 C ATOM 504 CG TYR A 318 -10.900 -6.532 6.241 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.366 -7.753 6.733 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.527 -5.337 6.618 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.462 -7.784 7.605 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.621 -5.367 7.488 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.089 -6.590 7.982 1.00 0.00 C ATOM 510 OH TYR A 318 -14.169 -6.617 8.841 1.00 0.00 O ATOM 0 H TYR A 318 -8.491 -8.254 3.751 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.962 -7.605 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.952 -7.189 5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.281 -5.506 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.882 -8.673 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.165 -4.393 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.823 -8.728 7.986 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.105 -4.446 7.779 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.484 -5.703 9.000 1.00 0.00 H new ATOM 520 N PRO A 319 -11.922 -5.399 3.016 1.00 0.00 N ATOM 521 CA PRO A 319 -12.498 -4.246 2.278 1.00 0.00 C ATOM 522 C PRO A 319 -11.530 -3.084 2.030 1.00 0.00 C ATOM 523 O PRO A 319 -11.688 -2.339 1.083 1.00 0.00 O ATOM 524 CB PRO A 319 -13.653 -3.850 3.181 1.00 0.00 C ATOM 525 CG PRO A 319 -14.200 -5.170 3.652 1.00 0.00 C ATOM 526 CD PRO A 319 -13.025 -6.179 3.610 1.00 0.00 C ATOM 0 HA PRO A 319 -12.782 -4.512 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.317 -3.234 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.405 -3.274 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.601 -5.085 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.017 -5.501 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.770 -6.540 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.268 -7.054 3.007 1.00 0.00 H new ATOM 534 N ALA A 320 -10.514 -2.930 2.833 1.00 0.00 N ATOM 535 CA ALA A 320 -9.553 -1.825 2.572 1.00 0.00 C ATOM 536 C ALA A 320 -8.185 -2.086 3.231 1.00 0.00 C ATOM 537 O ALA A 320 -7.675 -1.230 3.926 1.00 0.00 O ATOM 538 CB ALA A 320 -10.146 -0.521 3.103 1.00 0.00 C ATOM 0 H ALA A 320 -10.310 -3.512 3.646 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.388 -1.759 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.450 0.297 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.089 -0.317 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.322 -0.611 4.175 1.00 0.00 H new ATOM 544 N LYS A 321 -7.554 -3.230 2.993 1.00 0.00 N ATOM 545 CA LYS A 321 -6.184 -3.466 3.592 1.00 0.00 C ATOM 546 C LYS A 321 -5.184 -3.642 2.441 1.00 0.00 C ATOM 547 O LYS A 321 -5.451 -4.325 1.473 1.00 0.00 O ATOM 548 CB LYS A 321 -6.193 -4.713 4.523 1.00 0.00 C ATOM 549 CG LYS A 321 -5.945 -4.296 5.992 1.00 0.00 C ATOM 550 CD LYS A 321 -5.527 -5.509 6.829 1.00 0.00 C ATOM 551 CE LYS A 321 -6.677 -6.511 6.914 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.455 -7.418 8.076 1.00 0.00 N ATOM 0 H LYS A 321 -7.920 -3.993 2.423 1.00 0.00 H new ATOM 0 HA LYS A 321 -5.893 -2.614 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.150 -5.228 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.425 -5.417 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -5.168 -3.533 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -6.850 -3.853 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.653 -5.984 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.240 -5.188 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -7.625 -5.985 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -6.739 -7.090 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -7.236 -8.102 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.557 -7.928 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.416 -6.858 8.951 1.00 0.00 H new ATOM 566 N LEU A 322 -4.043 -2.995 2.534 1.00 0.00 N ATOM 567 CA LEU A 322 -3.014 -3.073 1.441 1.00 0.00 C ATOM 568 C LEU A 322 -1.775 -3.819 1.945 1.00 0.00 C ATOM 569 O LEU A 322 -1.041 -3.337 2.785 1.00 0.00 O ATOM 570 CB LEU A 322 -2.643 -1.632 1.045 1.00 0.00 C ATOM 571 CG LEU A 322 -1.806 -1.572 -0.255 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.414 -2.180 -0.031 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.523 -2.306 -1.406 1.00 0.00 C ATOM 0 H LEU A 322 -3.778 -2.411 3.327 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.408 -3.613 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.554 -1.049 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.082 -1.169 1.856 1.00 0.00 H new ATOM 0 HG LEU A 322 -1.692 -0.524 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.159 -2.128 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 322 0.105 -1.623 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.517 -3.221 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -1.914 -2.249 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -2.673 -3.351 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -3.490 -1.837 -1.590 1.00 0.00 H new ATOM 585 N SER A 323 -1.545 -5.002 1.430 1.00 0.00 N ATOM 586 CA SER A 323 -0.364 -5.817 1.857 1.00 0.00 C ATOM 587 C SER A 323 0.695 -5.805 0.750 1.00 0.00 C ATOM 588 O SER A 323 0.380 -5.751 -0.422 1.00 0.00 O ATOM 589 CB SER A 323 -0.826 -7.256 2.110 1.00 0.00 C ATOM 590 OG SER A 323 -1.756 -7.624 1.104 1.00 0.00 O ATOM 0 H SER A 323 -2.133 -5.443 0.723 1.00 0.00 H new ATOM 0 HA SER A 323 0.067 -5.399 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 323 0.028 -7.933 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.285 -7.337 3.095 1.00 0.00 H new ATOM 0 HG SER A 323 -1.581 -7.105 0.291 1.00 0.00 H new ATOM 596 N ILE A 324 1.953 -5.845 1.118 1.00 0.00 N ATOM 597 CA ILE A 324 3.042 -5.823 0.100 1.00 0.00 C ATOM 598 C ILE A 324 4.227 -6.692 0.557 1.00 0.00 C ATOM 599 O ILE A 324 4.460 -6.901 1.730 1.00 0.00 O ATOM 600 CB ILE A 324 3.497 -4.379 -0.139 1.00 0.00 C ATOM 601 CG1 ILE A 324 4.361 -3.860 1.020 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.279 -3.474 -0.298 1.00 0.00 C ATOM 603 CD1 ILE A 324 3.637 -4.026 2.358 1.00 0.00 C ATOM 0 H ILE A 324 2.271 -5.892 2.086 1.00 0.00 H new ATOM 0 HA ILE A 324 2.660 -6.234 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 324 4.098 -4.367 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 324 5.307 -4.401 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 324 4.599 -2.809 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.607 -2.449 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 324 1.685 -3.810 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.674 -3.516 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.269 -3.651 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 324 2.703 -3.464 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 324 3.422 -5.081 2.527 1.00 0.00 H new ATOM 615 N THR A 325 4.964 -7.223 -0.376 1.00 0.00 N ATOM 616 CA THR A 325 6.129 -8.097 -0.029 1.00 0.00 C ATOM 617 C THR A 325 7.426 -7.274 -0.045 1.00 0.00 C ATOM 618 O THR A 325 7.882 -6.846 -1.084 1.00 0.00 O ATOM 619 CB THR A 325 6.218 -9.226 -1.066 1.00 0.00 C ATOM 620 OG1 THR A 325 5.128 -10.119 -0.879 1.00 0.00 O ATOM 621 CG2 THR A 325 7.534 -9.992 -0.899 1.00 0.00 C ATOM 0 H THR A 325 4.811 -7.090 -1.376 1.00 0.00 H new ATOM 0 HA THR A 325 5.994 -8.515 0.969 1.00 0.00 H new ATOM 0 HB THR A 325 6.180 -8.796 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.179 -10.841 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.587 -10.790 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.372 -9.310 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.581 -10.422 0.102 1.00 0.00 H new ATOM 629 N ILE A 326 8.034 -7.064 1.102 1.00 0.00 N ATOM 630 CA ILE A 326 9.314 -6.283 1.150 1.00 0.00 C ATOM 631 C ILE A 326 10.490 -7.256 1.227 1.00 0.00 C ATOM 632 O ILE A 326 10.849 -7.729 2.288 1.00 0.00 O ATOM 633 CB ILE A 326 9.339 -5.383 2.395 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.145 -4.404 2.377 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.659 -4.607 2.437 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.442 -3.160 1.515 1.00 0.00 C ATOM 0 H ILE A 326 7.699 -7.399 2.005 1.00 0.00 H new ATOM 0 HA ILE A 326 9.387 -5.666 0.255 1.00 0.00 H new ATOM 0 HB ILE A 326 9.258 -6.005 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 326 7.262 -4.913 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.913 -4.094 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.678 -3.968 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.492 -5.308 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.748 -3.991 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.579 -2.495 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 326 9.309 -2.637 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.648 -3.468 0.490 1.00 0.00 H new ATOM 648 N ASP A 327 11.098 -7.550 0.112 1.00 0.00 N ATOM 649 CA ASP A 327 12.259 -8.486 0.108 1.00 0.00 C ATOM 650 C ASP A 327 11.968 -9.701 0.994 1.00 0.00 C ATOM 651 O ASP A 327 12.871 -10.345 1.488 1.00 0.00 O ATOM 652 CB ASP A 327 13.498 -7.761 0.635 1.00 0.00 C ATOM 653 CG ASP A 327 14.707 -8.693 0.552 1.00 0.00 C ATOM 654 OD1 ASP A 327 15.066 -9.068 -0.552 1.00 0.00 O ATOM 655 OD2 ASP A 327 15.256 -9.014 1.594 1.00 0.00 O ATOM 0 H ASP A 327 10.840 -7.180 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 327 12.434 -8.826 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 327 13.680 -6.859 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.338 -7.447 1.666 1.00 0.00 H new ATOM 660 N GLY A 328 10.713 -10.024 1.184 1.00 0.00 N ATOM 661 CA GLY A 328 10.343 -11.210 2.027 1.00 0.00 C ATOM 662 C GLY A 328 9.500 -10.771 3.229 1.00 0.00 C ATOM 663 O GLY A 328 8.509 -11.391 3.558 1.00 0.00 O ATOM 0 H GLY A 328 9.921 -9.515 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.786 -11.930 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.246 -11.714 2.373 1.00 0.00 H new ATOM 667 N GLU A 329 9.885 -9.718 3.899 1.00 0.00 N ATOM 668 CA GLU A 329 9.098 -9.267 5.085 1.00 0.00 C ATOM 669 C GLU A 329 7.715 -8.785 4.629 1.00 0.00 C ATOM 670 O GLU A 329 7.588 -7.862 3.850 1.00 0.00 O ATOM 671 CB GLU A 329 9.860 -8.133 5.809 1.00 0.00 C ATOM 672 CG GLU A 329 10.527 -8.672 7.081 1.00 0.00 C ATOM 673 CD GLU A 329 11.528 -7.645 7.611 1.00 0.00 C ATOM 674 OE1 GLU A 329 12.678 -7.706 7.207 1.00 0.00 O ATOM 675 OE2 GLU A 329 11.130 -6.816 8.413 1.00 0.00 O ATOM 0 H GLU A 329 10.705 -9.153 3.679 1.00 0.00 H new ATOM 0 HA GLU A 329 8.966 -10.097 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.614 -7.710 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.172 -7.327 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.772 -8.883 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 329 11.035 -9.612 6.867 1.00 0.00 H new ATOM 682 N THR A 330 6.682 -9.414 5.120 1.00 0.00 N ATOM 683 CA THR A 330 5.293 -9.019 4.738 1.00 0.00 C ATOM 684 C THR A 330 4.754 -7.974 5.722 1.00 0.00 C ATOM 685 O THR A 330 4.804 -8.160 6.922 1.00 0.00 O ATOM 686 CB THR A 330 4.391 -10.258 4.776 1.00 0.00 C ATOM 687 OG1 THR A 330 4.857 -11.210 3.831 1.00 0.00 O ATOM 688 CG2 THR A 330 2.953 -9.860 4.438 1.00 0.00 C ATOM 0 H THR A 330 6.740 -10.193 5.776 1.00 0.00 H new ATOM 0 HA THR A 330 5.304 -8.594 3.735 1.00 0.00 H new ATOM 0 HB THR A 330 4.417 -10.694 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 330 4.282 -12.003 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.315 -10.743 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.596 -9.131 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.922 -9.421 3.441 1.00 0.00 H new ATOM 696 N LYS A 331 4.217 -6.885 5.222 1.00 0.00 N ATOM 697 CA LYS A 331 3.645 -5.832 6.122 1.00 0.00 C ATOM 698 C LYS A 331 2.312 -5.372 5.533 1.00 0.00 C ATOM 699 O LYS A 331 2.123 -5.387 4.334 1.00 0.00 O ATOM 700 CB LYS A 331 4.611 -4.645 6.214 1.00 0.00 C ATOM 701 CG LYS A 331 4.184 -3.701 7.354 1.00 0.00 C ATOM 702 CD LYS A 331 4.634 -4.252 8.716 1.00 0.00 C ATOM 703 CE LYS A 331 4.549 -3.141 9.765 1.00 0.00 C ATOM 704 NZ LYS A 331 4.791 -3.715 11.120 1.00 0.00 N ATOM 0 H LYS A 331 4.150 -6.680 4.225 1.00 0.00 H new ATOM 0 HA LYS A 331 3.494 -6.235 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.625 -5.004 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.624 -4.103 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.616 -2.713 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 331 3.101 -3.580 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 331 4.003 -5.092 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 331 5.655 -4.628 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.285 -2.366 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 331 3.568 -2.667 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 4.733 -2.960 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 4.073 -4.439 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.736 -4.147 11.150 1.00 0.00 H new ATOM 718 N VAL A 332 1.375 -4.981 6.360 1.00 0.00 N ATOM 719 CA VAL A 332 0.044 -4.543 5.833 1.00 0.00 C ATOM 720 C VAL A 332 -0.463 -3.339 6.630 1.00 0.00 C ATOM 721 O VAL A 332 -0.079 -3.124 7.761 1.00 0.00 O ATOM 722 CB VAL A 332 -0.944 -5.707 5.967 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.153 -5.469 5.065 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.251 -7.007 5.550 1.00 0.00 C ATOM 0 H VAL A 332 1.473 -4.946 7.375 1.00 0.00 H new ATOM 0 HA VAL A 332 0.139 -4.254 4.786 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.277 -5.779 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.851 -6.300 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.648 -4.543 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.824 -5.394 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.950 -7.838 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.081 -6.927 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.610 -7.183 6.194 1.00 0.00 H new ATOM 734 N PHE A 333 -1.322 -2.542 6.037 1.00 0.00 N ATOM 735 CA PHE A 333 -1.851 -1.337 6.750 1.00 0.00 C ATOM 736 C PHE A 333 -3.337 -1.147 6.411 1.00 0.00 C ATOM 737 O PHE A 333 -3.837 -1.703 5.453 1.00 0.00 O ATOM 738 CB PHE A 333 -1.038 -0.110 6.324 1.00 0.00 C ATOM 739 CG PHE A 333 0.383 -0.530 6.042 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.691 -1.139 4.825 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.388 -0.311 6.992 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.004 -1.527 4.550 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.704 -0.703 6.718 1.00 0.00 C ATOM 744 CZ PHE A 333 3.011 -1.311 5.495 1.00 0.00 C ATOM 0 H PHE A 333 -1.679 -2.675 5.091 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.759 -1.469 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.479 0.343 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.058 0.645 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 333 -0.086 -1.310 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 333 1.149 0.159 7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.242 -1.995 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.481 -0.537 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.026 -1.613 5.282 1.00 0.00 H new ATOM 754 N HIS A 334 -4.056 -0.394 7.216 1.00 0.00 N ATOM 755 CA HIS A 334 -5.527 -0.195 6.975 1.00 0.00 C ATOM 756 C HIS A 334 -5.840 1.200 6.394 1.00 0.00 C ATOM 757 O HIS A 334 -6.681 1.332 5.527 1.00 0.00 O ATOM 758 CB HIS A 334 -6.262 -0.371 8.319 1.00 0.00 C ATOM 759 CG HIS A 334 -7.650 -0.914 8.091 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.256 -0.895 6.846 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.554 -1.506 8.938 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.471 -1.460 6.976 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.703 -1.850 8.233 1.00 0.00 N ATOM 0 H HIS A 334 -3.686 0.093 8.032 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.861 -0.930 6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.700 -1.049 8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.319 0.586 8.838 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -7.855 -0.521 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.397 -1.679 9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.172 -1.583 6.164 1.00 0.00 H new ATOM 771 N ASP A 335 -5.213 2.247 6.886 1.00 0.00 N ATOM 772 CA ASP A 335 -5.529 3.631 6.378 1.00 0.00 C ATOM 773 C ASP A 335 -4.454 4.127 5.402 1.00 0.00 C ATOM 774 O ASP A 335 -3.317 3.700 5.438 1.00 0.00 O ATOM 775 CB ASP A 335 -5.604 4.591 7.566 1.00 0.00 C ATOM 776 CG ASP A 335 -6.212 5.919 7.112 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.350 5.907 6.675 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.527 6.924 7.210 1.00 0.00 O ATOM 0 H ASP A 335 -4.499 2.206 7.614 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.482 3.594 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -6.209 4.155 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.608 4.757 7.977 1.00 0.00 H new ATOM 783 N LYS A 336 -4.820 5.042 4.534 1.00 0.00 N ATOM 784 CA LYS A 336 -3.840 5.593 3.548 1.00 0.00 C ATOM 785 C LYS A 336 -2.668 6.230 4.289 1.00 0.00 C ATOM 786 O LYS A 336 -1.529 6.109 3.885 1.00 0.00 O ATOM 787 CB LYS A 336 -4.527 6.642 2.667 1.00 0.00 C ATOM 788 CG LYS A 336 -5.239 7.676 3.542 1.00 0.00 C ATOM 789 CD LYS A 336 -5.974 8.679 2.649 1.00 0.00 C ATOM 790 CE LYS A 336 -6.762 9.657 3.521 1.00 0.00 C ATOM 791 NZ LYS A 336 -7.646 10.490 2.658 1.00 0.00 N ATOM 0 H LYS A 336 -5.760 5.431 4.468 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.470 4.784 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.790 7.135 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.245 6.158 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.945 7.180 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.516 8.195 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.260 9.222 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.648 8.154 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.359 9.110 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -6.078 10.294 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.182 11.156 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -7.066 11.022 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -8.307 9.875 2.142 1.00 0.00 H new ATOM 805 N THR A 337 -2.930 6.898 5.378 1.00 0.00 N ATOM 806 CA THR A 337 -1.816 7.522 6.142 1.00 0.00 C ATOM 807 C THR A 337 -0.936 6.412 6.685 1.00 0.00 C ATOM 808 O THR A 337 0.267 6.420 6.536 1.00 0.00 O ATOM 809 CB THR A 337 -2.368 8.313 7.324 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.212 9.353 6.851 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.202 8.905 8.115 1.00 0.00 C ATOM 0 H THR A 337 -3.861 7.038 5.769 1.00 0.00 H new ATOM 0 HA THR A 337 -1.256 8.190 5.488 1.00 0.00 H new ATOM 0 HB THR A 337 -2.949 7.655 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.566 9.858 7.612 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.588 9.472 8.962 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.563 8.100 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.623 9.565 7.470 1.00 0.00 H new ATOM 819 N LYS A 338 -1.545 5.452 7.313 1.00 0.00 N ATOM 820 CA LYS A 338 -0.779 4.317 7.876 1.00 0.00 C ATOM 821 C LYS A 338 0.210 3.804 6.820 1.00 0.00 C ATOM 822 O LYS A 338 1.383 3.631 7.091 1.00 0.00 O ATOM 823 CB LYS A 338 -1.775 3.221 8.277 1.00 0.00 C ATOM 824 CG LYS A 338 -1.168 2.308 9.362 1.00 0.00 C ATOM 825 CD LYS A 338 -1.504 2.852 10.757 1.00 0.00 C ATOM 826 CE LYS A 338 -0.801 2.007 11.822 1.00 0.00 C ATOM 827 NZ LYS A 338 -1.134 2.537 13.175 1.00 0.00 N ATOM 0 H LYS A 338 -2.553 5.406 7.461 1.00 0.00 H new ATOM 0 HA LYS A 338 -0.211 4.624 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.694 3.675 8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -2.043 2.628 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 338 -1.556 1.295 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 338 -0.087 2.250 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.189 3.892 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.582 2.832 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -1.113 0.966 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.278 2.029 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -0.657 1.964 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -0.815 3.524 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -2.163 2.494 13.321 1.00 0.00 H new ATOM 841 N PHE A 339 -0.243 3.585 5.612 1.00 0.00 N ATOM 842 CA PHE A 339 0.690 3.112 4.545 1.00 0.00 C ATOM 843 C PHE A 339 1.757 4.182 4.317 1.00 0.00 C ATOM 844 O PHE A 339 2.932 3.943 4.478 1.00 0.00 O ATOM 845 CB PHE A 339 -0.074 2.874 3.237 1.00 0.00 C ATOM 846 CG PHE A 339 0.899 2.456 2.150 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.396 1.149 2.116 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.304 3.377 1.177 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.293 0.759 1.114 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.203 2.989 0.172 1.00 0.00 C ATOM 851 CZ PHE A 339 2.700 1.677 0.140 1.00 0.00 C ATOM 0 H PHE A 339 -1.212 3.712 5.319 1.00 0.00 H new ATOM 0 HA PHE A 339 1.151 2.175 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.829 2.101 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.599 3.782 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.086 0.437 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.924 4.388 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.671 -0.252 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.513 3.701 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.393 1.378 -0.632 1.00 0.00 H new ATOM 861 N THR A 340 1.350 5.368 3.942 1.00 0.00 N ATOM 862 CA THR A 340 2.339 6.466 3.705 1.00 0.00 C ATOM 863 C THR A 340 3.382 6.473 4.828 1.00 0.00 C ATOM 864 O THR A 340 4.573 6.462 4.586 1.00 0.00 O ATOM 865 CB THR A 340 1.605 7.809 3.686 1.00 0.00 C ATOM 866 OG1 THR A 340 0.719 7.846 2.575 1.00 0.00 O ATOM 867 CG2 THR A 340 2.623 8.946 3.570 1.00 0.00 C ATOM 0 H THR A 340 0.375 5.625 3.789 1.00 0.00 H new ATOM 0 HA THR A 340 2.839 6.305 2.750 1.00 0.00 H new ATOM 0 HB THR A 340 1.036 7.927 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.083 7.321 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 340 2.100 9.902 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.301 8.915 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 340 3.193 8.831 2.648 1.00 0.00 H new ATOM 875 N GLN A 341 2.937 6.480 6.052 1.00 0.00 N ATOM 876 CA GLN A 341 3.885 6.478 7.203 1.00 0.00 C ATOM 877 C GLN A 341 4.939 5.398 6.994 1.00 0.00 C ATOM 878 O GLN A 341 6.119 5.652 7.109 1.00 0.00 O ATOM 879 CB GLN A 341 3.112 6.196 8.491 1.00 0.00 C ATOM 880 CG GLN A 341 2.222 7.394 8.824 1.00 0.00 C ATOM 881 CD GLN A 341 3.092 8.547 9.331 1.00 0.00 C ATOM 882 OE1 GLN A 341 4.274 8.377 9.553 1.00 0.00 O ATOM 883 NE2 GLN A 341 2.555 9.721 9.528 1.00 0.00 N ATOM 0 H GLN A 341 1.950 6.487 6.308 1.00 0.00 H new ATOM 0 HA GLN A 341 4.375 7.449 7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.504 5.299 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.806 6.006 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.666 7.705 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.488 7.117 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.563 9.866 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 341 3.128 10.493 9.868 1.00 0.00 H new ATOM 892 N TYR A 342 4.529 4.195 6.687 1.00 0.00 N ATOM 893 CA TYR A 342 5.526 3.098 6.475 1.00 0.00 C ATOM 894 C TYR A 342 6.653 3.611 5.576 1.00 0.00 C ATOM 895 O TYR A 342 7.819 3.369 5.815 1.00 0.00 O ATOM 896 CB TYR A 342 4.847 1.889 5.824 1.00 0.00 C ATOM 897 CG TYR A 342 5.880 0.828 5.505 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.686 0.297 6.520 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.034 0.378 4.188 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.643 -0.681 6.220 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.990 -0.601 3.887 1.00 0.00 C ATOM 902 CZ TYR A 342 7.794 -1.129 4.903 1.00 0.00 C ATOM 903 OH TYR A 342 8.739 -2.092 4.607 1.00 0.00 O ATOM 0 H TYR A 342 3.552 3.923 6.574 1.00 0.00 H new ATOM 0 HA TYR A 342 5.937 2.790 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.090 1.482 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.335 2.196 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.569 0.642 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.415 0.786 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.264 -1.089 7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.106 -0.948 2.871 1.00 0.00 H new ATOM 0 HH TYR A 342 8.866 -2.676 5.384 1.00 0.00 H new ATOM 913 N LEU A 343 6.314 4.330 4.547 1.00 0.00 N ATOM 914 CA LEU A 343 7.367 4.883 3.646 1.00 0.00 C ATOM 915 C LEU A 343 8.074 6.039 4.345 1.00 0.00 C ATOM 916 O LEU A 343 9.286 6.126 4.346 1.00 0.00 O ATOM 917 CB LEU A 343 6.745 5.405 2.353 1.00 0.00 C ATOM 918 CG LEU A 343 5.765 4.385 1.775 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.361 4.837 0.378 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.429 3.014 1.676 1.00 0.00 C ATOM 0 H LEU A 343 5.355 4.561 4.288 1.00 0.00 H new ATOM 0 HA LEU A 343 8.075 4.088 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.228 6.345 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.529 5.616 1.626 1.00 0.00 H new ATOM 0 HG LEU A 343 4.893 4.314 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.661 4.119 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.886 5.816 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.247 4.900 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.721 2.296 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.302 3.078 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.739 2.688 2.669 1.00 0.00 H new ATOM 932 N SER A 344 7.330 6.933 4.939 1.00 0.00 N ATOM 933 CA SER A 344 7.969 8.084 5.634 1.00 0.00 C ATOM 934 C SER A 344 9.089 7.560 6.529 1.00 0.00 C ATOM 935 O SER A 344 10.043 8.256 6.817 1.00 0.00 O ATOM 936 CB SER A 344 6.932 8.811 6.492 1.00 0.00 C ATOM 937 OG SER A 344 7.516 9.989 7.036 1.00 0.00 O ATOM 0 H SER A 344 6.311 6.915 4.972 1.00 0.00 H new ATOM 0 HA SER A 344 8.373 8.778 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.060 9.068 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.585 8.159 7.294 1.00 0.00 H new ATOM 0 HG SER A 344 6.854 10.459 7.585 1.00 0.00 H new ATOM 943 N THR A 345 8.981 6.326 6.960 1.00 0.00 N ATOM 944 CA THR A 345 10.038 5.728 7.831 1.00 0.00 C ATOM 945 C THR A 345 10.907 4.773 7.001 1.00 0.00 C ATOM 946 O THR A 345 11.791 4.120 7.518 1.00 0.00 O ATOM 947 CB THR A 345 9.380 4.992 9.008 1.00 0.00 C ATOM 948 OG1 THR A 345 10.387 4.510 9.888 1.00 0.00 O ATOM 949 CG2 THR A 345 8.532 3.821 8.515 1.00 0.00 C ATOM 0 H THR A 345 8.201 5.705 6.744 1.00 0.00 H new ATOM 0 HA THR A 345 10.677 6.515 8.232 1.00 0.00 H new ATOM 0 HB THR A 345 8.730 5.692 9.533 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.162 4.214 9.367 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.077 3.317 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.749 4.192 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.163 3.118 7.972 1.00 0.00 H new ATOM 957 N ASN A 346 10.670 4.696 5.709 1.00 0.00 N ATOM 958 CA ASN A 346 11.488 3.794 4.838 1.00 0.00 C ATOM 959 C ASN A 346 11.770 4.534 3.524 1.00 0.00 C ATOM 960 O ASN A 346 11.188 4.245 2.498 1.00 0.00 O ATOM 961 CB ASN A 346 10.712 2.496 4.568 1.00 0.00 C ATOM 962 CG ASN A 346 11.336 1.740 3.391 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.411 1.185 3.509 1.00 0.00 O ATOM 964 ND2 ASN A 346 10.699 1.696 2.253 1.00 0.00 N ATOM 0 H ASN A 346 9.943 5.221 5.222 1.00 0.00 H new ATOM 0 HA ASN A 346 12.428 3.534 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.720 1.867 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.669 2.726 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 346 11.103 1.196 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 346 9.797 2.162 2.155 1.00 0.00 H new ATOM 971 N PRO A 347 12.650 5.501 3.576 1.00 0.00 N ATOM 972 CA PRO A 347 13.024 6.334 2.391 1.00 0.00 C ATOM 973 C PRO A 347 13.375 5.501 1.148 1.00 0.00 C ATOM 974 O PRO A 347 13.186 5.936 0.029 1.00 0.00 O ATOM 975 CB PRO A 347 14.245 7.125 2.882 1.00 0.00 C ATOM 976 CG PRO A 347 14.062 7.222 4.361 1.00 0.00 C ATOM 977 CD PRO A 347 13.393 5.913 4.780 1.00 0.00 C ATOM 0 HA PRO A 347 12.194 6.961 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.175 6.615 2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.288 8.112 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.019 7.352 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.443 8.080 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.128 5.163 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.728 6.058 5.631 1.00 0.00 H new ATOM 985 N ALA A 348 13.889 4.314 1.329 1.00 0.00 N ATOM 986 CA ALA A 348 14.253 3.473 0.150 1.00 0.00 C ATOM 987 C ALA A 348 13.077 3.416 -0.829 1.00 0.00 C ATOM 988 O ALA A 348 13.228 3.633 -2.019 1.00 0.00 O ATOM 989 CB ALA A 348 14.594 2.057 0.620 1.00 0.00 C ATOM 0 H ALA A 348 14.072 3.891 2.239 1.00 0.00 H new ATOM 0 HA ALA A 348 15.117 3.910 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.860 1.442 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.435 2.096 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.730 1.623 1.123 1.00 0.00 H new ATOM 995 N LEU A 349 11.902 3.134 -0.344 1.00 0.00 N ATOM 996 CA LEU A 349 10.732 3.069 -1.256 1.00 0.00 C ATOM 997 C LEU A 349 10.435 4.480 -1.769 1.00 0.00 C ATOM 998 O LEU A 349 10.271 4.692 -2.949 1.00 0.00 O ATOM 999 CB LEU A 349 9.512 2.529 -0.495 1.00 0.00 C ATOM 1000 CG LEU A 349 9.506 0.989 -0.490 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.345 0.501 0.385 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.345 0.439 -1.927 1.00 0.00 C ATOM 0 H LEU A 349 11.703 2.947 0.639 1.00 0.00 H new ATOM 0 HA LEU A 349 10.949 2.405 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.524 2.900 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.597 2.899 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 349 10.454 0.628 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.331 -0.589 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.474 0.873 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.403 0.872 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.343 -0.651 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.405 0.794 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.174 0.786 -2.544 1.00 0.00 H new ATOM 1014 N GLN A 350 10.371 5.449 -0.892 1.00 0.00 N ATOM 1015 CA GLN A 350 10.089 6.844 -1.345 1.00 0.00 C ATOM 1016 C GLN A 350 10.969 7.171 -2.554 1.00 0.00 C ATOM 1017 O GLN A 350 10.556 7.867 -3.462 1.00 0.00 O ATOM 1018 CB GLN A 350 10.390 7.831 -0.215 1.00 0.00 C ATOM 1019 CG GLN A 350 9.416 7.606 0.947 1.00 0.00 C ATOM 1020 CD GLN A 350 9.440 8.820 1.879 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.686 9.755 1.694 1.00 0.00 O ATOM 1022 NE2 GLN A 350 10.280 8.847 2.877 1.00 0.00 N ATOM 0 H GLN A 350 10.501 5.335 0.113 1.00 0.00 H new ATOM 0 HA GLN A 350 9.038 6.927 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.416 7.702 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.303 8.854 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.408 7.448 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.692 6.707 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 350 10.913 8.062 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 350 10.304 9.653 3.502 1.00 0.00 H new ATOM 1031 N ARG A 351 12.173 6.662 -2.587 1.00 0.00 N ATOM 1032 CA ARG A 351 13.052 6.932 -3.742 1.00 0.00 C ATOM 1033 C ARG A 351 12.367 6.409 -5.002 1.00 0.00 C ATOM 1034 O ARG A 351 12.218 7.119 -5.976 1.00 0.00 O ATOM 1035 CB ARG A 351 14.388 6.218 -3.541 1.00 0.00 C ATOM 1036 CG ARG A 351 15.304 6.552 -4.707 1.00 0.00 C ATOM 1037 CD ARG A 351 16.681 5.921 -4.492 1.00 0.00 C ATOM 1038 NE ARG A 351 16.563 4.436 -4.535 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.630 3.702 -4.699 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.796 4.269 -4.842 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.529 2.400 -4.722 1.00 0.00 N ATOM 0 H ARG A 351 12.578 6.072 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 351 13.235 8.002 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.845 6.530 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.234 5.141 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.869 6.186 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 351 15.402 7.633 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 351 17.373 6.263 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 351 17.090 6.236 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 351 15.649 3.994 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.874 5.286 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.630 3.695 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 351 16.617 1.957 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.362 1.826 -4.850 1.00 0.00 H new ATOM 1055 N ILE A 352 11.930 5.175 -4.991 1.00 0.00 N ATOM 1056 CA ILE A 352 11.236 4.632 -6.200 1.00 0.00 C ATOM 1057 C ILE A 352 9.754 4.995 -6.124 1.00 0.00 C ATOM 1058 O ILE A 352 9.221 5.666 -6.984 1.00 0.00 O ATOM 1059 CB ILE A 352 11.370 3.105 -6.256 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.860 2.692 -6.388 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.577 2.585 -7.467 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.462 2.431 -5.002 1.00 0.00 C ATOM 0 H ILE A 352 12.021 4.527 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 352 11.691 5.061 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 352 10.977 2.674 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 352 12.943 1.796 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.420 3.479 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.663 1.500 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.528 2.861 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 352 10.977 3.025 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.508 2.142 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 352 13.395 3.337 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.912 1.628 -4.512 1.00 0.00 H new ATOM 1074 N ILE A 353 9.090 4.559 -5.090 1.00 0.00 N ATOM 1075 CA ILE A 353 7.646 4.876 -4.935 1.00 0.00 C ATOM 1076 C ILE A 353 7.494 6.378 -4.671 1.00 0.00 C ATOM 1077 O ILE A 353 6.572 7.010 -5.149 1.00 0.00 O ATOM 1078 CB ILE A 353 7.079 4.058 -3.761 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.953 2.592 -4.209 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.701 4.604 -3.341 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.366 1.727 -3.090 1.00 0.00 C ATOM 0 H ILE A 353 9.490 3.993 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 353 7.097 4.619 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 353 7.747 4.132 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 353 6.318 2.531 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.933 2.209 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.314 4.015 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.801 5.645 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 353 5.012 4.540 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.287 0.695 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 353 7.016 1.771 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.376 2.098 -2.824 1.00 0.00 H new