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 Set 1.1: A 290 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 294 MET CE :methyl 137:sc= 0 (180deg=-1.41) USER MOD Single : A 293 THR OG1 : rot 172:sc= 0.589 USER MOD Single : A 295 LYS NZ :NH3+ 175:sc= 0.037 (180deg=0.0324) USER MOD Single : A 301 THR OG1 : rot 180:sc=-0.00877 USER MOD Single : A 305 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 THR OG1 : rot 73:sc= 0.676 USER MOD Single : A 310 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.2!) USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 CYS SG : rot -78:sc= -4.97! 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+ -166:sc= 0 (180deg=-0.061) USER MOD Single : A 323 SER OG : rot 169:sc= -1.21 USER MOD Single : A 325 THR OG1 : rot 180:sc= -0.139 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 HD1:sc= -0.143 X(o=-0.14,f=-0.6) USER MOD Single : A 336 LYS NZ :NH3+ -162:sc=-0.00623 (180deg=-0.163) 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 -65:sc= 0.183 USER MOD Single : A 341 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.27) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot -37:sc= 0.0383 USER MOD Single : A 345 THR OG1 : rot -43:sc= 0.239 USER MOD Single : A 346 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.43) USER MOD Single : A 350 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.371 2.667 3.345 1.00 0.00 N ATOM 2 CA PHE A 289 -18.079 2.153 2.809 1.00 0.00 C ATOM 3 C PHE A 289 -17.818 2.798 1.445 1.00 0.00 C ATOM 4 O PHE A 289 -16.956 2.375 0.700 1.00 0.00 O ATOM 5 CB PHE A 289 -18.168 0.626 2.639 1.00 0.00 C ATOM 6 CG PHE A 289 -17.755 -0.078 3.915 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.110 0.451 5.163 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.016 -1.264 3.844 1.00 0.00 C ATOM 9 CE1 PHE A 289 -17.725 -0.206 6.337 1.00 0.00 C ATOM 10 CE2 PHE A 289 -16.631 -1.921 5.017 1.00 0.00 C ATOM 11 CZ PHE A 289 -16.986 -1.393 6.264 1.00 0.00 C ATOM 0 HA PHE A 289 -17.270 2.396 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.187 0.343 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.526 0.308 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -18.681 1.366 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -16.743 -1.672 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -17.998 0.202 7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.060 -2.836 4.961 1.00 0.00 H new ATOM 0 HZ PHE A 289 -16.690 -1.901 7.170 1.00 0.00 H new ATOM 21 N SER A 290 -18.574 3.801 1.106 1.00 0.00 N ATOM 22 CA SER A 290 -18.396 4.467 -0.221 1.00 0.00 C ATOM 23 C SER A 290 -17.470 5.689 -0.121 1.00 0.00 C ATOM 24 O SER A 290 -16.696 5.949 -1.022 1.00 0.00 O ATOM 25 CB SER A 290 -19.771 4.887 -0.765 1.00 0.00 C ATOM 26 OG SER A 290 -19.779 4.736 -2.178 1.00 0.00 O ATOM 0 H SER A 290 -19.312 4.194 1.690 1.00 0.00 H new ATOM 0 HA SER A 290 -17.928 3.757 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.555 4.276 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.981 5.922 -0.496 1.00 0.00 H new ATOM 0 HG SER A 290 -20.654 5.001 -2.530 1.00 0.00 H new ATOM 32 N PRO A 291 -17.557 6.449 0.937 1.00 0.00 N ATOM 33 CA PRO A 291 -16.729 7.666 1.115 1.00 0.00 C ATOM 34 C PRO A 291 -15.390 7.406 1.818 1.00 0.00 C ATOM 35 O PRO A 291 -14.347 7.828 1.362 1.00 0.00 O ATOM 36 CB PRO A 291 -17.631 8.549 1.977 1.00 0.00 C ATOM 37 CG PRO A 291 -18.373 7.584 2.854 1.00 0.00 C ATOM 38 CD PRO A 291 -18.447 6.247 2.088 1.00 0.00 C ATOM 0 HA PRO A 291 -16.437 8.103 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.048 9.255 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.315 9.136 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -17.860 7.455 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.373 7.956 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.116 5.413 2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.466 6.024 1.771 1.00 0.00 H new ATOM 46 N GLU A 292 -15.417 6.754 2.947 1.00 0.00 N ATOM 47 CA GLU A 292 -14.145 6.510 3.705 1.00 0.00 C ATOM 48 C GLU A 292 -13.463 5.205 3.278 1.00 0.00 C ATOM 49 O GLU A 292 -12.274 5.169 3.030 1.00 0.00 O ATOM 50 CB GLU A 292 -14.449 6.478 5.211 1.00 0.00 C ATOM 51 CG GLU A 292 -15.154 5.172 5.591 1.00 0.00 C ATOM 52 CD GLU A 292 -15.753 5.302 6.995 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.102 6.408 7.371 1.00 0.00 O ATOM 54 OE2 GLU A 292 -15.850 4.290 7.670 1.00 0.00 O ATOM 0 H GLU A 292 -16.260 6.378 3.382 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.456 7.324 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.522 6.575 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.077 7.328 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -15.939 4.947 4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -14.447 4.343 5.562 1.00 0.00 H new ATOM 61 N THR A 293 -14.193 4.130 3.230 1.00 0.00 N ATOM 62 CA THR A 293 -13.579 2.820 2.871 1.00 0.00 C ATOM 63 C THR A 293 -13.134 2.798 1.416 1.00 0.00 C ATOM 64 O THR A 293 -12.025 2.413 1.103 1.00 0.00 O ATOM 65 CB THR A 293 -14.608 1.712 3.073 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.138 1.785 4.389 1.00 0.00 O ATOM 67 CG2 THR A 293 -13.953 0.351 2.856 1.00 0.00 C ATOM 0 H THR A 293 -15.194 4.099 3.424 1.00 0.00 H new ATOM 0 HA THR A 293 -12.709 2.669 3.510 1.00 0.00 H new ATOM 0 HB THR A 293 -15.416 1.838 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.890 1.163 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.693 -0.436 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.558 0.295 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.139 0.221 3.570 1.00 0.00 H new ATOM 75 N MET A 294 -13.998 3.154 0.519 1.00 0.00 N ATOM 76 CA MET A 294 -13.620 3.093 -0.912 1.00 0.00 C ATOM 77 C MET A 294 -12.391 3.970 -1.160 1.00 0.00 C ATOM 78 O MET A 294 -11.451 3.550 -1.793 1.00 0.00 O ATOM 79 CB MET A 294 -14.806 3.547 -1.775 1.00 0.00 C ATOM 80 CG MET A 294 -14.804 2.776 -3.102 1.00 0.00 C ATOM 81 SD MET A 294 -16.220 3.298 -4.106 1.00 0.00 S ATOM 82 CE MET A 294 -17.481 2.237 -3.343 1.00 0.00 C ATOM 0 H MET A 294 -14.944 3.483 0.711 1.00 0.00 H new ATOM 0 HA MET A 294 -13.367 2.068 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.742 3.374 -1.244 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.741 4.618 -1.965 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.875 2.961 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.855 1.704 -2.912 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.395 2.810 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.688 1.390 -3.997 1.00 0.00 H new ATOM 0 HE3 MET A 294 -17.117 1.873 -2.382 1.00 0.00 H new ATOM 92 N LYS A 295 -12.375 5.174 -0.656 1.00 0.00 N ATOM 93 CA LYS A 295 -11.178 6.044 -0.866 1.00 0.00 C ATOM 94 C LYS A 295 -9.927 5.244 -0.495 1.00 0.00 C ATOM 95 O LYS A 295 -8.935 5.270 -1.195 1.00 0.00 O ATOM 96 CB LYS A 295 -11.295 7.307 0.009 1.00 0.00 C ATOM 97 CG LYS A 295 -11.997 8.437 -0.763 1.00 0.00 C ATOM 98 CD LYS A 295 -13.287 7.919 -1.429 1.00 0.00 C ATOM 99 CE LYS A 295 -14.268 9.079 -1.641 1.00 0.00 C ATOM 100 NZ LYS A 295 -15.391 8.632 -2.511 1.00 0.00 N ATOM 0 H LYS A 295 -13.130 5.592 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.113 6.357 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.854 7.077 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.303 7.634 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.235 9.255 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.325 8.838 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.051 7.452 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -13.746 7.152 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -14.653 9.423 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -13.754 9.924 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -16.097 9.392 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -15.027 8.405 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -15.834 7.786 -2.099 1.00 0.00 H new ATOM 114 N ALA A 296 -9.973 4.503 0.577 1.00 0.00 N ATOM 115 CA ALA A 296 -8.790 3.682 0.937 1.00 0.00 C ATOM 116 C ALA A 296 -8.621 2.630 -0.159 1.00 0.00 C ATOM 117 O ALA A 296 -7.525 2.295 -0.562 1.00 0.00 O ATOM 118 CB ALA A 296 -9.021 2.998 2.285 1.00 0.00 C ATOM 0 H ALA A 296 -10.769 4.432 1.211 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.898 4.302 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.149 2.397 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.181 3.754 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.898 2.355 2.221 1.00 0.00 H new ATOM 124 N ARG A 297 -9.721 2.133 -0.653 1.00 0.00 N ATOM 125 CA ARG A 297 -9.684 1.121 -1.741 1.00 0.00 C ATOM 126 C ARG A 297 -9.137 1.780 -3.012 1.00 0.00 C ATOM 127 O ARG A 297 -8.382 1.191 -3.760 1.00 0.00 O ATOM 128 CB ARG A 297 -11.109 0.620 -1.984 1.00 0.00 C ATOM 129 CG ARG A 297 -11.083 -0.713 -2.725 1.00 0.00 C ATOM 130 CD ARG A 297 -12.518 -1.133 -3.032 1.00 0.00 C ATOM 131 NE ARG A 297 -13.063 -0.265 -4.114 1.00 0.00 N ATOM 132 CZ ARG A 297 -14.165 -0.599 -4.725 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.785 -1.699 -4.396 1.00 0.00 N ATOM 134 NH2 ARG A 297 -14.648 0.167 -5.666 1.00 0.00 N ATOM 0 H ARG A 297 -10.658 2.391 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.043 0.283 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.628 0.505 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.666 1.355 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.511 -0.620 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.589 -1.472 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.545 -2.178 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.134 -1.048 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.574 0.591 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.407 -2.297 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.647 -1.961 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -14.163 1.027 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -15.510 -0.094 -6.144 1.00 0.00 H new ATOM 148 N ARG A 298 -9.504 3.009 -3.254 1.00 0.00 N ATOM 149 CA ARG A 298 -8.993 3.714 -4.458 1.00 0.00 C ATOM 150 C ARG A 298 -7.500 3.946 -4.256 1.00 0.00 C ATOM 151 O ARG A 298 -6.692 3.675 -5.123 1.00 0.00 O ATOM 152 CB ARG A 298 -9.718 5.058 -4.614 1.00 0.00 C ATOM 153 CG ARG A 298 -9.332 5.720 -5.950 1.00 0.00 C ATOM 154 CD ARG A 298 -10.052 5.035 -7.124 1.00 0.00 C ATOM 155 NE ARG A 298 -9.980 5.905 -8.349 1.00 0.00 N ATOM 156 CZ ARG A 298 -10.492 7.107 -8.377 1.00 0.00 C ATOM 157 NH1 ARG A 298 -11.210 7.548 -7.381 1.00 0.00 N ATOM 158 NH2 ARG A 298 -10.321 7.858 -9.431 1.00 0.00 N ATOM 0 H ARG A 298 -10.136 3.554 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.167 3.123 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.796 4.904 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.459 5.717 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.591 6.778 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.253 5.659 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -9.594 4.067 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -11.093 4.846 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 298 -9.517 5.546 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.377 6.953 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -11.605 8.488 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -9.790 7.506 -10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -10.719 8.797 -9.458 1.00 0.00 H new ATOM 172 N ALA A 299 -7.128 4.423 -3.100 1.00 0.00 N ATOM 173 CA ALA A 299 -5.681 4.648 -2.817 1.00 0.00 C ATOM 174 C ALA A 299 -4.937 3.324 -3.003 1.00 0.00 C ATOM 175 O ALA A 299 -3.769 3.289 -3.343 1.00 0.00 O ATOM 176 CB ALA A 299 -5.513 5.117 -1.371 1.00 0.00 C ATOM 0 H ALA A 299 -7.762 4.667 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.282 5.404 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.456 5.282 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.061 6.048 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.902 4.356 -0.694 1.00 0.00 H new ATOM 182 N TRP A 300 -5.622 2.234 -2.791 1.00 0.00 N ATOM 183 CA TRP A 300 -4.997 0.892 -2.955 1.00 0.00 C ATOM 184 C TRP A 300 -4.950 0.544 -4.443 1.00 0.00 C ATOM 185 O TRP A 300 -4.228 -0.339 -4.859 1.00 0.00 O ATOM 186 CB TRP A 300 -5.837 -0.144 -2.215 1.00 0.00 C ATOM 187 CG TRP A 300 -5.793 0.038 -0.711 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.600 -0.651 0.132 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.958 0.905 0.158 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.317 -0.301 1.430 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.325 0.644 1.507 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.933 1.870 -0.056 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.715 1.290 2.578 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.326 2.517 1.032 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.714 2.224 2.341 1.00 0.00 C ATOM 0 H TRP A 300 -6.602 2.217 -2.507 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.986 0.898 -2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.870 -0.079 -2.555 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.481 -1.143 -2.467 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.351 -1.366 -0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.789 -0.698 2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.620 2.106 -1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.019 1.066 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.551 3.248 0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.235 2.724 3.170 1.00 0.00 H new ATOM 206 N THR A 301 -5.701 1.243 -5.251 1.00 0.00 N ATOM 207 CA THR A 301 -5.685 0.961 -6.716 1.00 0.00 C ATOM 208 C THR A 301 -4.482 1.664 -7.355 1.00 0.00 C ATOM 209 O THR A 301 -3.687 1.061 -8.049 1.00 0.00 O ATOM 210 CB THR A 301 -6.968 1.498 -7.350 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.079 1.153 -6.535 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.147 0.897 -8.745 1.00 0.00 C ATOM 0 H THR A 301 -6.324 1.996 -4.961 1.00 0.00 H new ATOM 0 HA THR A 301 -5.615 -0.115 -6.878 1.00 0.00 H new ATOM 0 HB THR A 301 -6.902 2.583 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.902 1.499 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 301 -8.063 1.283 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.296 1.168 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.210 -0.188 -8.668 1.00 0.00 H new ATOM 220 N ASP A 302 -4.357 2.945 -7.128 1.00 0.00 N ATOM 221 CA ASP A 302 -3.223 3.714 -7.717 1.00 0.00 C ATOM 222 C ASP A 302 -1.896 3.053 -7.350 1.00 0.00 C ATOM 223 O ASP A 302 -1.016 2.903 -8.175 1.00 0.00 O ATOM 224 CB ASP A 302 -3.242 5.142 -7.170 1.00 0.00 C ATOM 225 CG ASP A 302 -4.652 5.723 -7.294 1.00 0.00 C ATOM 226 OD1 ASP A 302 -5.392 5.255 -8.144 1.00 0.00 O ATOM 227 OD2 ASP A 302 -4.968 6.627 -6.537 1.00 0.00 O ATOM 0 H ASP A 302 -4.997 3.495 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.328 3.730 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -2.927 5.146 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.533 5.762 -7.719 1.00 0.00 H new ATOM 232 N VAL A 303 -1.736 2.664 -6.118 1.00 0.00 N ATOM 233 CA VAL A 303 -0.462 2.025 -5.704 1.00 0.00 C ATOM 234 C VAL A 303 -0.391 0.601 -6.260 1.00 0.00 C ATOM 235 O VAL A 303 0.671 0.108 -6.581 1.00 0.00 O ATOM 236 CB VAL A 303 -0.391 1.978 -4.178 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.404 3.403 -3.620 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.593 1.200 -3.635 1.00 0.00 C ATOM 0 H VAL A 303 -2.434 2.762 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 303 0.375 2.605 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 303 0.529 1.481 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.353 3.368 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.455 3.953 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.323 3.905 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.543 1.166 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.515 1.695 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.578 0.184 -4.031 1.00 0.00 H new ATOM 248 N ILE A 304 -1.508 -0.070 -6.381 1.00 0.00 N ATOM 249 CA ILE A 304 -1.472 -1.465 -6.915 1.00 0.00 C ATOM 250 C ILE A 304 -0.658 -1.477 -8.219 1.00 0.00 C ATOM 251 O ILE A 304 0.169 -2.337 -8.435 1.00 0.00 O ATOM 252 CB ILE A 304 -2.931 -1.963 -7.137 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.351 -2.890 -5.985 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.076 -2.726 -8.462 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.868 -3.095 -6.002 1.00 0.00 C ATOM 0 H ILE A 304 -2.433 0.282 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.991 -2.141 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.573 -1.083 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.845 -3.851 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -3.045 -2.460 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.108 -3.057 -8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.808 -2.070 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.415 -3.593 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.155 -3.753 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.367 -2.133 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.164 -3.545 -6.950 1.00 0.00 H new ATOM 267 N GLN A 305 -0.881 -0.532 -9.086 1.00 0.00 N ATOM 268 CA GLN A 305 -0.112 -0.511 -10.361 1.00 0.00 C ATOM 269 C GLN A 305 1.308 -0.001 -10.096 1.00 0.00 C ATOM 270 O GLN A 305 2.241 -0.363 -10.783 1.00 0.00 O ATOM 271 CB GLN A 305 -0.808 0.404 -11.372 1.00 0.00 C ATOM 272 CG GLN A 305 -1.124 1.749 -10.719 1.00 0.00 C ATOM 273 CD GLN A 305 -1.678 2.706 -11.774 1.00 0.00 C ATOM 274 OE1 GLN A 305 -2.852 3.022 -11.768 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.879 3.186 -12.688 1.00 0.00 N ATOM 0 H GLN A 305 -1.557 0.223 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.063 -1.521 -10.768 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.169 0.553 -12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.726 -0.063 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.849 1.615 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 305 -0.224 2.168 -10.269 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.106 2.922 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -1.240 3.825 -13.396 1.00 0.00 H new ATOM 284 N THR A 306 1.483 0.833 -9.106 1.00 0.00 N ATOM 285 CA THR A 306 2.850 1.353 -8.811 1.00 0.00 C ATOM 286 C THR A 306 3.707 0.234 -8.225 1.00 0.00 C ATOM 287 O THR A 306 4.799 -0.017 -8.679 1.00 0.00 O ATOM 288 CB THR A 306 2.777 2.493 -7.799 1.00 0.00 C ATOM 289 OG1 THR A 306 1.818 3.450 -8.225 1.00 0.00 O ATOM 290 CG2 THR A 306 4.150 3.158 -7.679 1.00 0.00 C ATOM 0 H THR A 306 0.744 1.175 -8.492 1.00 0.00 H new ATOM 0 HA THR A 306 3.290 1.719 -9.739 1.00 0.00 H new ATOM 0 HB THR A 306 2.481 2.096 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 306 0.916 3.086 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.098 3.972 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 306 4.882 2.423 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.449 3.553 -8.650 1.00 0.00 H new ATOM 298 N LEU A 307 3.223 -0.440 -7.213 1.00 0.00 N ATOM 299 CA LEU A 307 4.022 -1.542 -6.592 1.00 0.00 C ATOM 300 C LEU A 307 4.617 -2.412 -7.704 1.00 0.00 C ATOM 301 O LEU A 307 5.762 -2.813 -7.657 1.00 0.00 O ATOM 302 CB LEU A 307 3.090 -2.413 -5.722 1.00 0.00 C ATOM 303 CG LEU A 307 3.014 -1.914 -4.262 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.415 -1.842 -3.615 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.343 -0.537 -4.216 1.00 0.00 C ATOM 0 H LEU A 307 2.310 -0.276 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 307 4.819 -1.122 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.090 -2.415 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.445 -3.444 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 307 2.419 -2.628 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.324 -1.487 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.868 -2.833 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.043 -1.155 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.293 -0.191 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 307 2.924 0.171 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.335 -0.610 -4.624 1.00 0.00 H new ATOM 317 N ARG A 308 3.831 -2.705 -8.698 1.00 0.00 N ATOM 318 CA ARG A 308 4.320 -3.547 -9.818 1.00 0.00 C ATOM 319 C ARG A 308 5.528 -2.881 -10.487 1.00 0.00 C ATOM 320 O ARG A 308 6.184 -3.473 -11.322 1.00 0.00 O ATOM 321 CB ARG A 308 3.189 -3.718 -10.836 1.00 0.00 C ATOM 322 CG ARG A 308 3.499 -4.896 -11.758 1.00 0.00 C ATOM 323 CD ARG A 308 2.317 -5.125 -12.703 1.00 0.00 C ATOM 324 NE ARG A 308 2.592 -6.304 -13.591 1.00 0.00 N ATOM 325 CZ ARG A 308 3.634 -6.342 -14.379 1.00 0.00 C ATOM 326 NH1 ARG A 308 4.368 -5.279 -14.556 1.00 0.00 N ATOM 327 NH2 ARG A 308 3.910 -7.434 -15.037 1.00 0.00 N ATOM 0 H ARG A 308 2.863 -2.394 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 308 4.627 -4.522 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.244 -3.887 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.073 -2.806 -11.422 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.404 -4.695 -12.331 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.687 -5.794 -11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.408 -5.297 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 308 2.147 -4.235 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 308 1.949 -7.096 -13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 308 4.131 -4.410 -14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 308 5.180 -5.317 -15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 308 3.313 -8.255 -14.936 1.00 0.00 H new ATOM 0 HH22 ARG A 308 4.722 -7.467 -15.653 1.00 0.00 H new ATOM 341 N GLU A 309 5.831 -1.657 -10.136 1.00 0.00 N ATOM 342 CA GLU A 309 6.999 -0.977 -10.770 1.00 0.00 C ATOM 343 C GLU A 309 8.289 -1.689 -10.365 1.00 0.00 C ATOM 344 O GLU A 309 9.267 -1.662 -11.087 1.00 0.00 O ATOM 345 CB GLU A 309 7.072 0.489 -10.318 1.00 0.00 C ATOM 346 CG GLU A 309 5.988 1.309 -11.030 1.00 0.00 C ATOM 347 CD GLU A 309 6.441 1.637 -12.457 1.00 0.00 C ATOM 348 OE1 GLU A 309 7.447 2.315 -12.597 1.00 0.00 O ATOM 349 OE2 GLU A 309 5.777 1.205 -13.385 1.00 0.00 O ATOM 0 H GLU A 309 5.325 -1.104 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 309 6.879 -1.013 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.938 0.553 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 309 8.057 0.899 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 309 5.053 0.750 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.794 2.229 -10.479 1.00 0.00 H new ATOM 356 N HIS A 310 8.306 -2.327 -9.216 1.00 0.00 N ATOM 357 CA HIS A 310 9.543 -3.044 -8.767 1.00 0.00 C ATOM 358 C HIS A 310 9.193 -4.467 -8.301 1.00 0.00 C ATOM 359 O HIS A 310 8.246 -5.065 -8.769 1.00 0.00 O ATOM 360 CB HIS A 310 10.199 -2.248 -7.630 1.00 0.00 C ATOM 361 CG HIS A 310 9.223 -2.039 -6.503 1.00 0.00 C ATOM 362 ND1 HIS A 310 9.319 -2.739 -5.312 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.141 -1.198 -6.357 1.00 0.00 C ATOM 364 CE1 HIS A 310 8.328 -2.313 -4.509 1.00 0.00 C ATOM 365 NE2 HIS A 310 7.580 -1.376 -5.097 1.00 0.00 N ATOM 0 H HIS A 310 7.517 -2.381 -8.571 1.00 0.00 H new ATOM 0 HA HIS A 310 10.243 -3.124 -9.599 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.077 -2.780 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.544 -1.284 -8.004 1.00 0.00 H new ATOM 0 HD1 HIS A 310 10.015 -3.449 -5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.784 -0.507 -7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 310 8.158 -2.684 -3.509 1.00 0.00 H new ATOM 373 N LYS A 311 9.968 -5.020 -7.401 1.00 0.00 N ATOM 374 CA LYS A 311 9.708 -6.416 -6.918 1.00 0.00 C ATOM 375 C LYS A 311 8.790 -6.417 -5.696 1.00 0.00 C ATOM 376 O LYS A 311 9.234 -6.551 -4.574 1.00 0.00 O ATOM 377 CB LYS A 311 11.039 -7.080 -6.561 1.00 0.00 C ATOM 378 CG LYS A 311 11.918 -6.084 -5.800 1.00 0.00 C ATOM 379 CD LYS A 311 13.063 -6.832 -5.115 1.00 0.00 C ATOM 380 CE LYS A 311 14.048 -5.823 -4.523 1.00 0.00 C ATOM 381 NZ LYS A 311 15.058 -6.541 -3.696 1.00 0.00 N ATOM 0 H LYS A 311 10.775 -4.563 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 311 9.212 -6.971 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.864 -7.966 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.547 -7.412 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.317 -5.337 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.323 -5.551 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 311 12.671 -7.478 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.572 -7.476 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 311 14.543 -5.270 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.515 -5.093 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 15.728 -5.855 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 14.578 -7.049 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 15.574 -7.221 -4.291 1.00 0.00 H new ATOM 395 N CYS A 312 7.512 -6.303 -5.906 1.00 0.00 N ATOM 396 CA CYS A 312 6.569 -6.336 -4.757 1.00 0.00 C ATOM 397 C CYS A 312 5.169 -6.619 -5.272 1.00 0.00 C ATOM 398 O CYS A 312 4.520 -5.781 -5.864 1.00 0.00 O ATOM 399 CB CYS A 312 6.588 -5.009 -4.011 1.00 0.00 C ATOM 400 SG CYS A 312 5.155 -4.904 -2.905 1.00 0.00 S ATOM 0 H CYS A 312 7.079 -6.188 -6.822 1.00 0.00 H new ATOM 0 HA CYS A 312 6.875 -7.122 -4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 312 7.510 -4.918 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.572 -4.182 -4.721 1.00 0.00 H new ATOM 0 HG CYS A 312 4.095 -4.604 -3.595 1.00 0.00 H new ATOM 406 N GLN A 313 4.713 -7.802 -5.042 1.00 0.00 N ATOM 407 CA GLN A 313 3.353 -8.193 -5.501 1.00 0.00 C ATOM 408 C GLN A 313 2.292 -7.492 -4.627 1.00 0.00 C ATOM 409 O GLN A 313 2.220 -7.747 -3.443 1.00 0.00 O ATOM 410 CB GLN A 313 3.194 -9.709 -5.351 1.00 0.00 C ATOM 411 CG GLN A 313 4.399 -10.418 -5.972 1.00 0.00 C ATOM 412 CD GLN A 313 4.126 -11.922 -6.047 1.00 0.00 C ATOM 413 OE1 GLN A 313 4.160 -12.504 -7.114 1.00 0.00 O ATOM 414 NE2 GLN A 313 3.853 -12.580 -4.954 1.00 0.00 N ATOM 0 H GLN A 313 5.226 -8.533 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 313 3.222 -7.901 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.108 -9.973 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.276 -10.038 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.592 -10.023 -6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.292 -10.229 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 313 3.824 -12.092 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 313 3.668 -13.582 -4.995 1.00 0.00 H new ATOM 423 N PRO A 314 1.469 -6.618 -5.183 1.00 0.00 N ATOM 424 CA PRO A 314 0.413 -5.909 -4.401 1.00 0.00 C ATOM 425 C PRO A 314 -0.882 -6.721 -4.314 1.00 0.00 C ATOM 426 O PRO A 314 -1.318 -7.312 -5.281 1.00 0.00 O ATOM 427 CB PRO A 314 0.189 -4.642 -5.214 1.00 0.00 C ATOM 428 CG PRO A 314 0.382 -5.078 -6.631 1.00 0.00 C ATOM 429 CD PRO A 314 1.443 -6.191 -6.599 1.00 0.00 C ATOM 0 HA PRO A 314 0.708 -5.731 -3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.810 -4.238 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.897 -3.861 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.553 -5.444 -7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.711 -4.245 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.177 -7.016 -7.260 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.417 -5.824 -6.923 1.00 0.00 H new ATOM 437 N ARG A 315 -1.498 -6.753 -3.160 1.00 0.00 N ATOM 438 CA ARG A 315 -2.761 -7.535 -2.997 1.00 0.00 C ATOM 439 C ARG A 315 -3.713 -6.780 -2.068 1.00 0.00 C ATOM 440 O ARG A 315 -3.375 -6.476 -0.941 1.00 0.00 O ATOM 441 CB ARG A 315 -2.435 -8.896 -2.358 1.00 0.00 C ATOM 442 CG ARG A 315 -1.294 -9.608 -3.122 1.00 0.00 C ATOM 443 CD ARG A 315 0.073 -9.255 -2.512 1.00 0.00 C ATOM 444 NE ARG A 315 0.192 -9.892 -1.170 1.00 0.00 N ATOM 445 CZ ARG A 315 1.359 -9.986 -0.594 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.418 -9.501 -1.180 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.465 -10.561 0.573 1.00 0.00 N ATOM 0 H ARG A 315 -1.179 -6.269 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.225 -7.676 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.146 -8.753 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -3.325 -9.525 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.445 -10.687 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.315 -9.316 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.875 -9.601 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.177 -8.173 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 315 -0.639 -10.254 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.335 -9.047 -2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.330 -9.575 -0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 315 0.636 -10.936 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.377 -10.635 1.024 1.00 0.00 H new ATOM 461 N LEU A 316 -4.909 -6.473 -2.515 1.00 0.00 N ATOM 462 CA LEU A 316 -5.860 -5.750 -1.635 1.00 0.00 C ATOM 463 C LEU A 316 -6.620 -6.768 -0.786 1.00 0.00 C ATOM 464 O LEU A 316 -7.360 -7.590 -1.285 1.00 0.00 O ATOM 465 CB LEU A 316 -6.841 -4.947 -2.500 1.00 0.00 C ATOM 466 CG LEU A 316 -7.331 -3.708 -1.740 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.197 -2.849 -2.664 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.152 -4.143 -0.527 1.00 0.00 C ATOM 0 H LEU A 316 -5.259 -6.694 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.321 -5.064 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.355 -4.644 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.690 -5.573 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.472 -3.126 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.545 -1.969 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.609 -2.536 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.055 -3.430 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.500 -3.262 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.010 -4.727 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.533 -4.751 0.132 1.00 0.00 H new ATOM 480 N LEU A 317 -6.444 -6.696 0.497 1.00 0.00 N ATOM 481 CA LEU A 317 -7.152 -7.634 1.424 1.00 0.00 C ATOM 482 C LEU A 317 -8.385 -6.905 1.953 1.00 0.00 C ATOM 483 O LEU A 317 -8.901 -6.056 1.265 1.00 0.00 O ATOM 484 CB LEU A 317 -6.221 -8.014 2.585 1.00 0.00 C ATOM 485 CG LEU A 317 -5.047 -8.878 2.089 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.567 -10.189 1.471 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.216 -8.103 1.050 1.00 0.00 C ATOM 0 H LEU A 317 -5.833 -6.021 0.957 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.442 -8.549 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.838 -7.111 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.783 -8.558 3.344 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.413 -9.119 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.724 -10.788 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -6.126 -10.748 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.219 -9.960 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.389 -8.725 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.848 -7.840 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.822 -7.194 1.504 1.00 0.00 H new ATOM 499 N TYR A 318 -8.840 -7.230 3.157 1.00 0.00 N ATOM 500 CA TYR A 318 -10.050 -6.566 3.795 1.00 0.00 C ATOM 501 C TYR A 318 -10.456 -5.290 3.022 1.00 0.00 C ATOM 502 O TYR A 318 -9.596 -4.596 2.540 1.00 0.00 O ATOM 503 CB TYR A 318 -9.662 -6.189 5.241 1.00 0.00 C ATOM 504 CG TYR A 318 -10.852 -6.285 6.166 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.288 -7.536 6.613 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.520 -5.124 6.573 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.393 -7.628 7.469 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.624 -5.213 7.428 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.061 -6.465 7.876 1.00 0.00 C ATOM 510 OH TYR A 318 -14.151 -6.555 8.717 1.00 0.00 O ATOM 0 H TYR A 318 -8.411 -7.948 3.741 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.898 -7.250 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.870 -6.850 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.263 -5.175 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.773 -8.431 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.183 -4.158 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.730 -8.594 7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.138 -4.317 7.742 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.496 -5.657 8.902 1.00 0.00 H new ATOM 520 N PRO A 319 -11.738 -4.984 2.897 1.00 0.00 N ATOM 521 CA PRO A 319 -12.229 -3.787 2.158 1.00 0.00 C ATOM 522 C PRO A 319 -11.206 -2.650 2.025 1.00 0.00 C ATOM 523 O PRO A 319 -11.276 -1.856 1.106 1.00 0.00 O ATOM 524 CB PRO A 319 -13.430 -3.379 2.993 1.00 0.00 C ATOM 525 CG PRO A 319 -14.044 -4.690 3.399 1.00 0.00 C ATOM 526 CD PRO A 319 -12.891 -5.722 3.447 1.00 0.00 C ATOM 0 HA PRO A 319 -12.452 -4.011 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.133 -2.790 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.129 -2.770 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.530 -4.606 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.809 -4.997 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.700 -6.062 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.120 -6.607 2.853 1.00 0.00 H new ATOM 534 N ALA A 320 -10.241 -2.576 2.900 1.00 0.00 N ATOM 535 CA ALA A 320 -9.210 -1.506 2.775 1.00 0.00 C ATOM 536 C ALA A 320 -7.874 -1.961 3.383 1.00 0.00 C ATOM 537 O ALA A 320 -7.177 -1.169 3.985 1.00 0.00 O ATOM 538 CB ALA A 320 -9.688 -0.249 3.495 1.00 0.00 C ATOM 0 H ALA A 320 -10.121 -3.207 3.693 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.059 -1.295 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -8.933 0.532 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -10.621 0.093 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -9.851 -0.473 4.549 1.00 0.00 H new ATOM 544 N LYS A 321 -7.491 -3.216 3.219 1.00 0.00 N ATOM 545 CA LYS A 321 -6.170 -3.681 3.784 1.00 0.00 C ATOM 546 C LYS A 321 -5.214 -3.968 2.619 1.00 0.00 C ATOM 547 O LYS A 321 -5.443 -4.859 1.826 1.00 0.00 O ATOM 548 CB LYS A 321 -6.378 -4.954 4.630 1.00 0.00 C ATOM 549 CG LYS A 321 -6.795 -4.575 6.067 1.00 0.00 C ATOM 550 CD LYS A 321 -5.550 -4.259 6.925 1.00 0.00 C ATOM 551 CE LYS A 321 -5.029 -5.542 7.586 1.00 0.00 C ATOM 552 NZ LYS A 321 -5.887 -5.876 8.759 1.00 0.00 N ATOM 0 H LYS A 321 -8.028 -3.929 2.725 1.00 0.00 H new ATOM 0 HA LYS A 321 -5.746 -2.908 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.144 -5.581 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.459 -5.539 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.457 -3.710 6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.356 -5.394 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.771 -3.819 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.802 -3.523 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -5.037 -6.363 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -3.995 -5.407 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -5.412 -6.592 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -6.050 -5.019 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.799 -6.250 8.427 1.00 0.00 H new ATOM 566 N LEU A 322 -4.153 -3.200 2.497 1.00 0.00 N ATOM 567 CA LEU A 322 -3.188 -3.402 1.362 1.00 0.00 C ATOM 568 C LEU A 322 -1.899 -4.066 1.870 1.00 0.00 C ATOM 569 O LEU A 322 -1.220 -3.549 2.735 1.00 0.00 O ATOM 570 CB LEU A 322 -2.872 -2.017 0.767 1.00 0.00 C ATOM 571 CG LEU A 322 -2.229 -2.115 -0.632 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.868 -2.816 -0.542 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.152 -2.872 -1.609 1.00 0.00 C ATOM 0 H LEU A 322 -3.913 -2.441 3.135 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.624 -4.053 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.790 -1.433 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.200 -1.481 1.437 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.083 -1.104 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.425 -2.879 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.209 -2.248 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.002 -3.820 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.677 -2.928 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.331 -3.880 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.101 -2.344 -1.696 1.00 0.00 H new ATOM 585 N SER A 323 -1.561 -5.216 1.328 1.00 0.00 N ATOM 586 CA SER A 323 -0.319 -5.940 1.757 1.00 0.00 C ATOM 587 C SER A 323 0.756 -5.814 0.677 1.00 0.00 C ATOM 588 O SER A 323 0.464 -5.677 -0.496 1.00 0.00 O ATOM 589 CB SER A 323 -0.649 -7.415 1.984 1.00 0.00 C ATOM 590 OG SER A 323 0.451 -8.054 2.617 1.00 0.00 O ATOM 0 H SER A 323 -2.098 -5.687 0.600 1.00 0.00 H new ATOM 0 HA SER A 323 0.055 -5.501 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.542 -7.508 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 323 -0.867 -7.901 1.033 1.00 0.00 H new ATOM 0 HG SER A 323 0.180 -8.945 2.922 1.00 0.00 H new ATOM 596 N ILE A 324 2.004 -5.845 1.071 1.00 0.00 N ATOM 597 CA ILE A 324 3.119 -5.705 0.086 1.00 0.00 C ATOM 598 C ILE A 324 4.252 -6.683 0.419 1.00 0.00 C ATOM 599 O ILE A 324 4.474 -7.035 1.559 1.00 0.00 O ATOM 600 CB ILE A 324 3.653 -4.263 0.121 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.786 -3.746 1.570 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.689 -3.354 -0.638 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.961 -4.418 2.302 1.00 0.00 C ATOM 0 H ILE A 324 2.300 -5.962 2.040 1.00 0.00 H new ATOM 0 HA ILE A 324 2.742 -5.933 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 324 4.640 -4.255 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.932 -2.666 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.860 -3.938 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 324 3.062 -2.330 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.610 -3.690 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.706 -3.392 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 324 5.025 -4.031 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 324 4.801 -5.496 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.890 -4.204 1.773 1.00 0.00 H new ATOM 615 N THR A 325 4.971 -7.127 -0.584 1.00 0.00 N ATOM 616 CA THR A 325 6.097 -8.083 -0.353 1.00 0.00 C ATOM 617 C THR A 325 7.421 -7.324 -0.385 1.00 0.00 C ATOM 618 O THR A 325 7.860 -6.872 -1.424 1.00 0.00 O ATOM 619 CB THR A 325 6.100 -9.142 -1.460 1.00 0.00 C ATOM 620 OG1 THR A 325 4.897 -9.897 -1.392 1.00 0.00 O ATOM 621 CG2 THR A 325 7.303 -10.074 -1.276 1.00 0.00 C ATOM 0 H THR A 325 4.824 -6.866 -1.559 1.00 0.00 H new ATOM 0 HA THR A 325 5.972 -8.564 0.617 1.00 0.00 H new ATOM 0 HB THR A 325 6.169 -8.653 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.895 -10.574 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.304 -10.827 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.224 -9.494 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.238 -10.565 -0.305 1.00 0.00 H new ATOM 629 N ILE A 326 8.067 -7.183 0.743 1.00 0.00 N ATOM 630 CA ILE A 326 9.372 -6.455 0.785 1.00 0.00 C ATOM 631 C ILE A 326 10.331 -7.196 1.719 1.00 0.00 C ATOM 632 O ILE A 326 9.933 -7.733 2.734 1.00 0.00 O ATOM 633 CB ILE A 326 9.155 -5.035 1.314 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.306 -4.237 0.315 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.512 -4.347 1.493 1.00 0.00 C ATOM 636 CD1 ILE A 326 7.892 -2.901 0.935 1.00 0.00 C ATOM 0 H ILE A 326 7.746 -7.542 1.642 1.00 0.00 H new ATOM 0 HA ILE A 326 9.792 -6.408 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 326 8.638 -5.080 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.872 -4.063 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.421 -4.809 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.360 -3.335 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.115 -4.912 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.027 -4.303 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.290 -2.340 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.308 -3.084 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.783 -2.326 1.189 1.00 0.00 H new ATOM 648 N ASP A 327 11.591 -7.225 1.375 1.00 0.00 N ATOM 649 CA ASP A 327 12.600 -7.925 2.225 1.00 0.00 C ATOM 650 C ASP A 327 12.040 -9.256 2.738 1.00 0.00 C ATOM 651 O ASP A 327 12.434 -9.747 3.778 1.00 0.00 O ATOM 652 CB ASP A 327 12.984 -7.028 3.413 1.00 0.00 C ATOM 653 CG ASP A 327 14.037 -6.005 2.975 1.00 0.00 C ATOM 654 OD1 ASP A 327 13.793 -5.310 2.003 1.00 0.00 O ATOM 655 OD2 ASP A 327 15.072 -5.936 3.621 1.00 0.00 O ATOM 0 H ASP A 327 11.968 -6.790 0.533 1.00 0.00 H new ATOM 0 HA ASP A 327 13.485 -8.130 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.101 -6.514 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.373 -7.637 4.229 1.00 0.00 H new ATOM 660 N GLY A 328 11.143 -9.852 2.008 1.00 0.00 N ATOM 661 CA GLY A 328 10.576 -11.164 2.439 1.00 0.00 C ATOM 662 C GLY A 328 9.439 -10.964 3.450 1.00 0.00 C ATOM 663 O GLY A 328 8.349 -11.462 3.262 1.00 0.00 O ATOM 0 H GLY A 328 10.775 -9.489 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 328 10.204 -11.707 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.361 -11.775 2.885 1.00 0.00 H new ATOM 667 N GLU A 329 9.678 -10.261 4.528 1.00 0.00 N ATOM 668 CA GLU A 329 8.589 -10.076 5.534 1.00 0.00 C ATOM 669 C GLU A 329 7.427 -9.297 4.905 1.00 0.00 C ATOM 670 O GLU A 329 7.615 -8.292 4.249 1.00 0.00 O ATOM 671 CB GLU A 329 9.134 -9.355 6.791 1.00 0.00 C ATOM 672 CG GLU A 329 9.087 -7.828 6.635 1.00 0.00 C ATOM 673 CD GLU A 329 9.810 -7.418 5.351 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.843 -8.000 5.068 1.00 0.00 O ATOM 675 OE2 GLU A 329 9.319 -6.528 4.676 1.00 0.00 O ATOM 0 H GLU A 329 10.566 -9.813 4.753 1.00 0.00 H new ATOM 0 HA GLU A 329 8.218 -11.052 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 329 8.549 -9.650 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 329 10.161 -9.671 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.052 -7.488 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.555 -7.350 7.496 1.00 0.00 H new ATOM 682 N THR A 330 6.227 -9.762 5.104 1.00 0.00 N ATOM 683 CA THR A 330 5.039 -9.065 4.526 1.00 0.00 C ATOM 684 C THR A 330 4.536 -7.999 5.504 1.00 0.00 C ATOM 685 O THR A 330 4.491 -8.214 6.699 1.00 0.00 O ATOM 686 CB THR A 330 3.927 -10.089 4.276 1.00 0.00 C ATOM 687 OG1 THR A 330 4.433 -11.149 3.481 1.00 0.00 O ATOM 688 CG2 THR A 330 2.758 -9.417 3.551 1.00 0.00 C ATOM 0 H THR A 330 6.014 -10.600 5.645 1.00 0.00 H new ATOM 0 HA THR A 330 5.321 -8.587 3.588 1.00 0.00 H new ATOM 0 HB THR A 330 3.578 -10.483 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.723 -11.806 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 330 1.970 -10.149 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.368 -8.604 4.164 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.102 -9.019 2.597 1.00 0.00 H new ATOM 696 N LYS A 331 4.140 -6.856 4.997 1.00 0.00 N ATOM 697 CA LYS A 331 3.613 -5.762 5.872 1.00 0.00 C ATOM 698 C LYS A 331 2.248 -5.347 5.326 1.00 0.00 C ATOM 699 O LYS A 331 1.988 -5.478 4.146 1.00 0.00 O ATOM 700 CB LYS A 331 4.575 -4.562 5.832 1.00 0.00 C ATOM 701 CG LYS A 331 4.340 -3.654 7.051 1.00 0.00 C ATOM 702 CD LYS A 331 4.847 -4.328 8.346 1.00 0.00 C ATOM 703 CE LYS A 331 5.313 -3.261 9.344 1.00 0.00 C ATOM 704 NZ LYS A 331 5.729 -3.919 10.614 1.00 0.00 N ATOM 0 H LYS A 331 4.160 -6.632 4.002 1.00 0.00 H new ATOM 0 HA LYS A 331 3.524 -6.104 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.607 -4.913 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.424 -3.996 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.853 -2.703 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 331 3.277 -3.431 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 331 4.052 -4.929 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 331 5.669 -5.006 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 331 6.145 -2.695 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 331 4.509 -2.551 9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.045 -3.197 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 4.923 -4.441 11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.509 -4.580 10.423 1.00 0.00 H new ATOM 718 N VAL A 332 1.366 -4.861 6.161 1.00 0.00 N ATOM 719 CA VAL A 332 0.015 -4.456 5.665 1.00 0.00 C ATOM 720 C VAL A 332 -0.432 -3.173 6.363 1.00 0.00 C ATOM 721 O VAL A 332 -0.007 -2.867 7.459 1.00 0.00 O ATOM 722 CB VAL A 332 -0.981 -5.588 5.942 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.177 -5.463 4.999 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.303 -6.935 5.695 1.00 0.00 C ATOM 0 H VAL A 332 1.521 -4.727 7.160 1.00 0.00 H new ATOM 0 HA VAL A 332 0.058 -4.269 4.592 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.316 -5.522 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.883 -6.269 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.668 -4.503 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.834 -5.528 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.011 -7.740 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.030 -6.990 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.556 -7.037 6.358 1.00 0.00 H new ATOM 734 N PHE A 333 -1.279 -2.409 5.717 1.00 0.00 N ATOM 735 CA PHE A 333 -1.756 -1.121 6.313 1.00 0.00 C ATOM 736 C PHE A 333 -3.268 -0.991 6.118 1.00 0.00 C ATOM 737 O PHE A 333 -3.833 -1.537 5.191 1.00 0.00 O ATOM 738 CB PHE A 333 -1.023 0.029 5.625 1.00 0.00 C ATOM 739 CG PHE A 333 0.421 -0.372 5.437 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.351 -0.133 6.455 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.823 -1.002 4.254 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.685 -0.522 6.289 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.158 -1.394 4.090 1.00 0.00 C ATOM 744 CZ PHE A 333 3.088 -1.152 5.107 1.00 0.00 C ATOM 0 H PHE A 333 -1.663 -2.624 4.797 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.548 -1.096 7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.484 0.251 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.090 0.935 6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 333 1.039 0.352 7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.105 -1.186 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 333 3.403 -0.336 7.074 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.469 -1.883 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.118 -1.452 4.979 1.00 0.00 H new ATOM 754 N HIS A 334 -3.931 -0.294 7.010 1.00 0.00 N ATOM 755 CA HIS A 334 -5.419 -0.147 6.919 1.00 0.00 C ATOM 756 C HIS A 334 -5.806 1.245 6.383 1.00 0.00 C ATOM 757 O HIS A 334 -6.644 1.366 5.512 1.00 0.00 O ATOM 758 CB HIS A 334 -6.010 -0.345 8.331 1.00 0.00 C ATOM 759 CG HIS A 334 -7.405 -0.912 8.247 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.158 -0.857 7.085 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.191 -1.552 9.174 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.339 -1.450 7.339 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.411 -1.892 8.599 1.00 0.00 N ATOM 0 H HIS A 334 -3.502 0.183 7.803 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.814 -0.892 6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.373 -1.016 8.907 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.030 0.608 8.860 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -7.905 -1.760 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.132 -1.556 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -10.192 -2.375 9.043 1.00 0.00 H new ATOM 771 N ASP A 335 -5.233 2.296 6.916 1.00 0.00 N ATOM 772 CA ASP A 335 -5.607 3.676 6.454 1.00 0.00 C ATOM 773 C ASP A 335 -4.626 4.190 5.394 1.00 0.00 C ATOM 774 O ASP A 335 -3.520 3.707 5.264 1.00 0.00 O ATOM 775 CB ASP A 335 -5.589 4.625 7.655 1.00 0.00 C ATOM 776 CG ASP A 335 -6.251 3.942 8.852 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.435 3.662 8.769 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.562 3.707 9.831 1.00 0.00 O ATOM 0 H ASP A 335 -4.524 2.262 7.649 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.602 3.635 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.563 4.899 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -6.116 5.548 7.411 1.00 0.00 H new ATOM 783 N LYS A 336 -5.038 5.181 4.639 1.00 0.00 N ATOM 784 CA LYS A 336 -4.157 5.758 3.579 1.00 0.00 C ATOM 785 C LYS A 336 -2.918 6.384 4.220 1.00 0.00 C ATOM 786 O LYS A 336 -1.812 6.216 3.745 1.00 0.00 O ATOM 787 CB LYS A 336 -4.933 6.837 2.812 1.00 0.00 C ATOM 788 CG LYS A 336 -6.108 6.196 2.066 1.00 0.00 C ATOM 789 CD LYS A 336 -7.139 7.271 1.689 1.00 0.00 C ATOM 790 CE LYS A 336 -6.534 8.283 0.693 1.00 0.00 C ATOM 791 NZ LYS A 336 -6.133 9.515 1.429 1.00 0.00 N ATOM 0 H LYS A 336 -5.957 5.618 4.715 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.847 4.968 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -5.299 7.596 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -4.273 7.341 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.749 5.694 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.575 5.435 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -8.018 6.800 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -7.473 7.792 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -5.670 7.846 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.261 8.528 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -6.015 10.299 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -6.869 9.761 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -5.234 9.346 1.925 1.00 0.00 H new ATOM 805 N THR A 337 -3.088 7.099 5.298 1.00 0.00 N ATOM 806 CA THR A 337 -1.913 7.721 5.963 1.00 0.00 C ATOM 807 C THR A 337 -0.972 6.618 6.408 1.00 0.00 C ATOM 808 O THR A 337 0.210 6.638 6.129 1.00 0.00 O ATOM 809 CB THR A 337 -2.355 8.490 7.202 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.354 9.436 6.849 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.143 9.208 7.798 1.00 0.00 C ATOM 0 H THR A 337 -3.987 7.278 5.745 1.00 0.00 H new ATOM 0 HA THR A 337 -1.425 8.401 5.264 1.00 0.00 H new ATOM 0 HB THR A 337 -2.770 7.800 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.637 9.927 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.448 9.762 8.686 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.384 8.475 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.732 9.900 7.063 1.00 0.00 H new ATOM 819 N LYS A 338 -1.503 5.649 7.103 1.00 0.00 N ATOM 820 CA LYS A 338 -0.672 4.518 7.586 1.00 0.00 C ATOM 821 C LYS A 338 0.280 4.074 6.472 1.00 0.00 C ATOM 822 O LYS A 338 1.435 3.779 6.710 1.00 0.00 O ATOM 823 CB LYS A 338 -1.598 3.364 7.981 1.00 0.00 C ATOM 824 CG LYS A 338 -0.839 2.352 8.864 1.00 0.00 C ATOM 825 CD LYS A 338 -1.017 2.701 10.347 1.00 0.00 C ATOM 826 CE LYS A 338 -0.321 1.644 11.207 1.00 0.00 C ATOM 827 NZ LYS A 338 -0.692 1.846 12.637 1.00 0.00 N ATOM 0 H LYS A 338 -2.489 5.596 7.358 1.00 0.00 H new ATOM 0 HA LYS A 338 -0.082 4.824 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.464 3.750 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.974 2.867 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 338 -1.208 1.344 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.220 2.357 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -0.598 3.686 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.077 2.747 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.612 0.645 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.760 1.716 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -0.220 1.128 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -0.393 2.794 12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -1.723 1.757 12.744 1.00 0.00 H new ATOM 841 N PHE A 339 -0.188 4.047 5.254 1.00 0.00 N ATOM 842 CA PHE A 339 0.703 3.648 4.130 1.00 0.00 C ATOM 843 C PHE A 339 1.845 4.657 4.031 1.00 0.00 C ATOM 844 O PHE A 339 2.991 4.328 4.232 1.00 0.00 O ATOM 845 CB PHE A 339 -0.080 3.634 2.816 1.00 0.00 C ATOM 846 CG PHE A 339 0.802 3.080 1.723 1.00 0.00 C ATOM 847 CD1 PHE A 339 0.849 1.701 1.495 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.577 3.944 0.943 1.00 0.00 C ATOM 849 CE1 PHE A 339 1.673 1.184 0.489 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.401 3.429 -0.066 1.00 0.00 C ATOM 851 CZ PHE A 339 2.450 2.046 -0.294 1.00 0.00 C ATOM 0 H PHE A 339 -1.145 4.283 4.990 1.00 0.00 H new ATOM 0 HA PHE A 339 1.097 2.648 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.978 3.025 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.406 4.642 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 339 0.249 1.034 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.540 5.009 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 339 1.710 0.119 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.999 4.097 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.085 1.647 -1.071 1.00 0.00 H new ATOM 861 N THR A 340 1.541 5.890 3.727 1.00 0.00 N ATOM 862 CA THR A 340 2.625 6.921 3.620 1.00 0.00 C ATOM 863 C THR A 340 3.596 6.775 4.796 1.00 0.00 C ATOM 864 O THR A 340 4.799 6.752 4.624 1.00 0.00 O ATOM 865 CB THR A 340 2.018 8.325 3.647 1.00 0.00 C ATOM 866 OG1 THR A 340 1.827 8.729 4.994 1.00 0.00 O ATOM 867 CG2 THR A 340 0.677 8.322 2.919 1.00 0.00 C ATOM 0 H THR A 340 0.596 6.231 3.548 1.00 0.00 H new ATOM 0 HA THR A 340 3.158 6.773 2.681 1.00 0.00 H new ATOM 0 HB THR A 340 2.694 9.021 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 340 1.164 8.146 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 340 0.249 9.324 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 340 0.825 8.014 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 340 -0.003 7.626 3.411 1.00 0.00 H new ATOM 875 N GLN A 341 3.077 6.668 5.986 1.00 0.00 N ATOM 876 CA GLN A 341 3.958 6.511 7.177 1.00 0.00 C ATOM 877 C GLN A 341 4.950 5.378 6.916 1.00 0.00 C ATOM 878 O GLN A 341 6.122 5.486 7.214 1.00 0.00 O ATOM 879 CB GLN A 341 3.095 6.186 8.398 1.00 0.00 C ATOM 880 CG GLN A 341 2.075 7.314 8.619 1.00 0.00 C ATOM 881 CD GLN A 341 2.759 8.498 9.310 1.00 0.00 C ATOM 882 OE1 GLN A 341 2.106 9.442 9.710 1.00 0.00 O ATOM 883 NE2 GLN A 341 4.054 8.487 9.471 1.00 0.00 N ATOM 0 H GLN A 341 2.077 6.682 6.187 1.00 0.00 H new ATOM 0 HA GLN A 341 4.508 7.433 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.578 5.238 8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.724 6.071 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.655 7.630 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.246 6.954 9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 341 4.603 7.695 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 341 4.517 9.270 9.932 1.00 0.00 H new ATOM 892 N TYR A 342 4.494 4.300 6.340 1.00 0.00 N ATOM 893 CA TYR A 342 5.425 3.172 6.039 1.00 0.00 C ATOM 894 C TYR A 342 6.620 3.738 5.263 1.00 0.00 C ATOM 895 O TYR A 342 7.757 3.379 5.492 1.00 0.00 O ATOM 896 CB TYR A 342 4.693 2.117 5.202 1.00 0.00 C ATOM 897 CG TYR A 342 5.606 0.946 4.926 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.078 0.156 5.979 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.975 0.649 3.611 1.00 0.00 C ATOM 900 CE1 TYR A 342 6.919 -0.933 5.716 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.814 -0.437 3.343 1.00 0.00 C ATOM 902 CZ TYR A 342 7.288 -1.229 4.397 1.00 0.00 C ATOM 903 OH TYR A 342 8.116 -2.303 4.137 1.00 0.00 O ATOM 0 H TYR A 342 3.523 4.150 6.065 1.00 0.00 H new ATOM 0 HA TYR A 342 5.773 2.701 6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 342 3.802 1.777 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.358 2.556 4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 342 5.794 0.386 6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.611 1.261 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.283 -1.544 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.096 -0.665 2.326 1.00 0.00 H new ATOM 0 HH TYR A 342 7.977 -2.995 4.817 1.00 0.00 H new ATOM 913 N LEU A 343 6.362 4.645 4.360 1.00 0.00 N ATOM 914 CA LEU A 343 7.469 5.275 3.582 1.00 0.00 C ATOM 915 C LEU A 343 8.168 6.316 4.452 1.00 0.00 C ATOM 916 O LEU A 343 9.384 6.417 4.452 1.00 0.00 O ATOM 917 CB LEU A 343 6.900 5.939 2.322 1.00 0.00 C ATOM 918 CG LEU A 343 6.075 4.921 1.521 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.747 5.505 0.152 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.884 3.640 1.314 1.00 0.00 C ATOM 0 H LEU A 343 5.427 4.979 4.126 1.00 0.00 H new ATOM 0 HA LEU A 343 8.189 4.513 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.276 6.789 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.712 6.327 1.707 1.00 0.00 H new ATOM 0 HG LEU A 343 5.161 4.697 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 343 5.161 4.785 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 343 5.173 6.423 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.672 5.725 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.292 2.923 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.798 3.871 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.140 3.211 2.283 1.00 0.00 H new ATOM 932 N SER A 344 7.420 7.069 5.213 1.00 0.00 N ATOM 933 CA SER A 344 8.053 8.080 6.102 1.00 0.00 C ATOM 934 C SER A 344 9.071 7.369 6.995 1.00 0.00 C ATOM 935 O SER A 344 9.815 7.992 7.726 1.00 0.00 O ATOM 936 CB SER A 344 6.987 8.757 6.965 1.00 0.00 C ATOM 937 OG SER A 344 7.512 9.968 7.491 1.00 0.00 O ATOM 0 H SER A 344 6.402 7.027 5.256 1.00 0.00 H new ATOM 0 HA SER A 344 8.550 8.843 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.096 8.961 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.684 8.095 7.776 1.00 0.00 H new ATOM 0 HG SER A 344 8.458 9.845 7.714 1.00 0.00 H new ATOM 943 N THR A 345 9.106 6.059 6.933 1.00 0.00 N ATOM 944 CA THR A 345 10.070 5.277 7.762 1.00 0.00 C ATOM 945 C THR A 345 10.711 4.192 6.886 1.00 0.00 C ATOM 946 O THR A 345 11.436 3.341 7.362 1.00 0.00 O ATOM 947 CB THR A 345 9.336 4.656 8.960 1.00 0.00 C ATOM 948 OG1 THR A 345 10.286 4.152 9.887 1.00 0.00 O ATOM 949 CG2 THR A 345 8.416 3.522 8.505 1.00 0.00 C ATOM 0 H THR A 345 8.500 5.495 6.336 1.00 0.00 H new ATOM 0 HA THR A 345 10.854 5.929 8.147 1.00 0.00 H new ATOM 0 HB THR A 345 8.728 5.427 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.001 3.687 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 345 7.907 3.097 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.677 3.912 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.007 2.748 8.016 1.00 0.00 H new ATOM 957 N ASN A 346 10.475 4.245 5.593 1.00 0.00 N ATOM 958 CA ASN A 346 11.094 3.255 4.656 1.00 0.00 C ATOM 959 C ASN A 346 11.548 4.027 3.408 1.00 0.00 C ATOM 960 O ASN A 346 10.929 3.959 2.363 1.00 0.00 O ATOM 961 CB ASN A 346 10.081 2.171 4.261 1.00 0.00 C ATOM 962 CG ASN A 346 10.721 1.223 3.249 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.703 0.572 3.542 1.00 0.00 O ATOM 964 ND2 ASN A 346 10.194 1.120 2.060 1.00 0.00 N ATOM 0 H ASN A 346 9.875 4.938 5.146 1.00 0.00 H new ATOM 0 HA ASN A 346 11.937 2.759 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 346 9.762 1.617 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.189 2.629 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 346 10.607 0.490 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 346 9.369 1.669 1.819 1.00 0.00 H new ATOM 971 N PRO A 347 12.617 4.778 3.538 1.00 0.00 N ATOM 972 CA PRO A 347 13.180 5.622 2.437 1.00 0.00 C ATOM 973 C PRO A 347 13.243 4.905 1.083 1.00 0.00 C ATOM 974 O PRO A 347 12.812 5.433 0.078 1.00 0.00 O ATOM 975 CB PRO A 347 14.589 5.956 2.937 1.00 0.00 C ATOM 976 CG PRO A 347 14.456 5.982 4.423 1.00 0.00 C ATOM 977 CD PRO A 347 13.425 4.903 4.767 1.00 0.00 C ATOM 0 HA PRO A 347 12.554 6.493 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.313 5.207 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.931 6.916 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.412 5.778 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 347 14.127 6.962 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 347 13.906 3.960 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.812 5.194 5.620 1.00 0.00 H new ATOM 985 N ALA A 348 13.794 3.717 1.053 1.00 0.00 N ATOM 986 CA ALA A 348 13.920 2.949 -0.228 1.00 0.00 C ATOM 987 C ALA A 348 12.706 3.179 -1.138 1.00 0.00 C ATOM 988 O ALA A 348 12.840 3.597 -2.273 1.00 0.00 O ATOM 989 CB ALA A 348 14.028 1.457 0.092 1.00 0.00 C ATOM 0 H ALA A 348 14.168 3.239 1.873 1.00 0.00 H new ATOM 0 HA ALA A 348 14.812 3.296 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.120 0.892 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 348 14.906 1.281 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.135 1.134 0.627 1.00 0.00 H new ATOM 995 N LEU A 349 11.527 2.905 -0.659 1.00 0.00 N ATOM 996 CA LEU A 349 10.323 3.102 -1.508 1.00 0.00 C ATOM 997 C LEU A 349 10.041 4.603 -1.657 1.00 0.00 C ATOM 998 O LEU A 349 9.370 5.021 -2.572 1.00 0.00 O ATOM 999 CB LEU A 349 9.113 2.409 -0.852 1.00 0.00 C ATOM 1000 CG LEU A 349 8.900 0.997 -1.418 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.945 0.233 -0.503 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.275 1.074 -2.814 1.00 0.00 C ATOM 0 H LEU A 349 11.345 2.554 0.281 1.00 0.00 H new ATOM 0 HA LEU A 349 10.497 2.669 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.265 2.351 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.217 3.007 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 349 9.864 0.491 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.788 -0.771 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.374 0.167 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 349 6.990 0.757 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.129 0.066 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 349 7.313 1.583 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 349 8.937 1.628 -3.479 1.00 0.00 H new ATOM 1014 N GLN A 350 10.527 5.414 -0.764 1.00 0.00 N ATOM 1015 CA GLN A 350 10.258 6.867 -0.881 1.00 0.00 C ATOM 1016 C GLN A 350 11.058 7.429 -2.063 1.00 0.00 C ATOM 1017 O GLN A 350 10.643 8.366 -2.715 1.00 0.00 O ATOM 1018 CB GLN A 350 10.660 7.554 0.438 1.00 0.00 C ATOM 1019 CG GLN A 350 9.658 8.649 0.801 1.00 0.00 C ATOM 1020 CD GLN A 350 9.731 9.781 -0.228 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.719 10.318 -0.631 1.00 0.00 O ATOM 1022 NE2 GLN A 350 10.896 10.168 -0.673 1.00 0.00 N ATOM 0 H GLN A 350 11.095 5.135 0.036 1.00 0.00 H new ATOM 0 HA GLN A 350 9.199 7.051 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.707 6.816 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 350 11.657 7.983 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.649 8.237 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.873 9.036 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 350 11.746 9.717 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 350 10.956 10.921 -1.359 1.00 0.00 H new ATOM 1031 N ARG A 351 12.193 6.852 -2.355 1.00 0.00 N ATOM 1032 CA ARG A 351 12.995 7.349 -3.506 1.00 0.00 C ATOM 1033 C ARG A 351 12.270 6.975 -4.797 1.00 0.00 C ATOM 1034 O ARG A 351 12.031 7.804 -5.651 1.00 0.00 O ATOM 1035 CB ARG A 351 14.384 6.712 -3.491 1.00 0.00 C ATOM 1036 CG ARG A 351 14.940 6.740 -2.067 1.00 0.00 C ATOM 1037 CD ARG A 351 16.452 6.476 -2.096 1.00 0.00 C ATOM 1038 NE ARG A 351 16.781 5.589 -3.246 1.00 0.00 N ATOM 1039 CZ ARG A 351 18.017 5.466 -3.644 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.966 6.126 -3.041 1.00 0.00 N ATOM 1041 NH2 ARG A 351 18.302 4.684 -4.649 1.00 0.00 N ATOM 0 H ARG A 351 12.596 6.063 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 351 13.109 8.431 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.329 5.685 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 351 15.051 7.251 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.739 7.707 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.441 5.987 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.994 7.417 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.768 6.011 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 351 16.039 5.077 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.742 6.739 -2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.932 6.029 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.559 4.170 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 351 19.268 4.587 -4.962 1.00 0.00 H new ATOM 1055 N ILE A 352 11.892 5.731 -4.933 1.00 0.00 N ATOM 1056 CA ILE A 352 11.153 5.314 -6.158 1.00 0.00 C ATOM 1057 C ILE A 352 9.712 5.791 -6.019 1.00 0.00 C ATOM 1058 O ILE A 352 9.199 6.525 -6.840 1.00 0.00 O ATOM 1059 CB ILE A 352 11.198 3.790 -6.293 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.656 3.338 -6.389 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.450 3.357 -7.556 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.731 1.814 -6.265 1.00 0.00 C ATOM 0 H ILE A 352 12.062 4.991 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 352 11.606 5.749 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 352 10.724 3.336 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.084 3.657 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.245 3.806 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.486 2.271 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.411 3.682 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 352 10.919 3.809 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.771 1.494 -6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.319 1.506 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.156 1.355 -7.069 1.00 0.00 H new ATOM 1074 N ILE A 353 9.068 5.395 -4.959 1.00 0.00 N ATOM 1075 CA ILE A 353 7.662 5.827 -4.703 1.00 0.00 C ATOM 1076 C ILE A 353 7.682 6.913 -3.619 1.00 0.00 C ATOM 1077 O ILE A 353 6.753 7.683 -3.480 1.00 0.00 O ATOM 1078 CB ILE A 353 6.844 4.607 -4.225 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.486 3.691 -5.434 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.558 5.074 -3.529 1.00 0.00 C ATOM 1081 CD1 ILE A 353 7.536 2.587 -5.618 1.00 0.00 C ATOM 0 H ILE A 353 9.461 4.780 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 353 7.206 6.226 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 353 7.447 4.039 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 353 5.505 3.242 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 353 6.421 4.290 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 353 4.989 4.206 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.814 5.692 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 353 4.957 5.656 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 353 7.262 1.962 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 353 8.511 3.039 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 353 7.582 1.975 -4.718 1.00 0.00 H new