USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 310 HIS : no HE2:sc= -6.05 K(o=-12,f=-17!) USER MOD Set 1.2: A 312 CYS SG : rot -21:sc= -5.88! USER MOD Set 2.1: A 290 SER OG : rot 180:sc= -0.182 USER MOD Set 2.2: A 294 MET CE :methyl 149:sc= -0.622 (180deg=-2.68!) USER MOD Single : A 293 THR OG1 : rot -110:sc= -0.286 USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 THR OG1 : rot 54:sc= 0.462 USER MOD Single : A 305 GLN : amide:sc= -5.71! C(o=-5.7!,f=-3.5!) USER MOD Single : A 306 THR OG1 : rot 59:sc= -0.162 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.23) 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 22:sc= -4.02! USER MOD Single : A 325 THR OG1 : rot -150:sc= -0.234 USER MOD Single : A 330 THR OG1 : rot 44:sc= 0.358 USER MOD Single : A 331 LYS NZ :NH3+ 135:sc= -0.047 (180deg=-0.628) USER MOD Single : A 334 HIS : no HE2:sc= -0.295 K(o=-0.29,f=-4.4!) USER MOD Single : A 336 LYS NZ :NH3+ 133:sc= -3.58 (180deg=-5.51!) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ 162:sc= -0.158 (180deg=-0.677) USER MOD Single : A 340 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 341 GLN : amide:sc= -1.93 K(o=-1.9,f=-0.74) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc=4.08e-05 USER MOD Single : A 345 THR OG1 : rot -39:sc= 0.3 USER MOD Single : A 346 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.75) USER MOD Single : A 350 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.421 2.256 2.874 1.00 0.00 N ATOM 2 CA PHE A 289 -18.072 1.860 2.397 1.00 0.00 C ATOM 3 C PHE A 289 -17.796 2.536 1.059 1.00 0.00 C ATOM 4 O PHE A 289 -16.863 2.202 0.358 1.00 0.00 O ATOM 5 CB PHE A 289 -18.031 0.348 2.198 1.00 0.00 C ATOM 6 CG PHE A 289 -18.539 -0.348 3.439 1.00 0.00 C ATOM 7 CD1 PHE A 289 -17.672 -0.599 4.507 1.00 0.00 C ATOM 8 CD2 PHE A 289 -19.879 -0.742 3.515 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.145 -1.245 5.656 1.00 0.00 C ATOM 10 CE2 PHE A 289 -20.353 -1.387 4.665 1.00 0.00 C ATOM 11 CZ PHE A 289 -19.486 -1.639 5.735 1.00 0.00 C ATOM 0 HA PHE A 289 -17.324 2.160 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.641 0.069 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.011 0.028 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -16.638 -0.295 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -20.547 -0.549 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -17.475 -1.439 6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -21.388 -1.690 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 289 -19.852 -2.137 6.621 1.00 0.00 H new ATOM 21 N SER A 290 -18.622 3.469 0.686 1.00 0.00 N ATOM 22 CA SER A 290 -18.437 4.158 -0.625 1.00 0.00 C ATOM 23 C SER A 290 -17.617 5.450 -0.472 1.00 0.00 C ATOM 24 O SER A 290 -16.830 5.784 -1.335 1.00 0.00 O ATOM 25 CB SER A 290 -19.820 4.461 -1.227 1.00 0.00 C ATOM 26 OG SER A 290 -20.101 3.501 -2.238 1.00 0.00 O ATOM 0 H SER A 290 -19.422 3.788 1.233 1.00 0.00 H new ATOM 0 HA SER A 290 -17.879 3.502 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.585 4.427 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.837 5.467 -1.647 1.00 0.00 H new ATOM 0 HG SER A 290 -20.982 3.684 -2.627 1.00 0.00 H new ATOM 32 N PRO A 291 -17.802 6.179 0.594 1.00 0.00 N ATOM 33 CA PRO A 291 -17.077 7.446 0.823 1.00 0.00 C ATOM 34 C PRO A 291 -15.748 7.261 1.569 1.00 0.00 C ATOM 35 O PRO A 291 -14.719 7.757 1.155 1.00 0.00 O ATOM 36 CB PRO A 291 -18.074 8.255 1.659 1.00 0.00 C ATOM 37 CG PRO A 291 -18.844 7.233 2.449 1.00 0.00 C ATOM 38 CD PRO A 291 -18.718 5.888 1.702 1.00 0.00 C ATOM 0 HA PRO A 291 -16.783 7.925 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.560 8.956 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.736 8.842 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.447 7.150 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.890 7.526 2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.323 5.107 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.686 5.541 1.339 1.00 0.00 H new ATOM 46 N GLU A 292 -15.770 6.577 2.683 1.00 0.00 N ATOM 47 CA GLU A 292 -14.508 6.393 3.478 1.00 0.00 C ATOM 48 C GLU A 292 -13.728 5.145 3.044 1.00 0.00 C ATOM 49 O GLU A 292 -12.564 5.214 2.694 1.00 0.00 O ATOM 50 CB GLU A 292 -14.853 6.293 4.971 1.00 0.00 C ATOM 51 CG GLU A 292 -15.867 5.163 5.222 1.00 0.00 C ATOM 52 CD GLU A 292 -16.602 5.415 6.543 1.00 0.00 C ATOM 53 OE1 GLU A 292 -17.553 6.179 6.533 1.00 0.00 O ATOM 54 OE2 GLU A 292 -16.202 4.840 7.543 1.00 0.00 O ATOM 0 H GLU A 292 -16.601 6.138 3.080 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.871 7.259 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.946 6.109 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.264 7.241 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.582 5.113 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -15.354 4.202 5.257 1.00 0.00 H new ATOM 61 N THR A 293 -14.348 4.004 3.096 1.00 0.00 N ATOM 62 CA THR A 293 -13.643 2.741 2.727 1.00 0.00 C ATOM 63 C THR A 293 -13.121 2.805 1.301 1.00 0.00 C ATOM 64 O THR A 293 -11.982 2.479 1.029 1.00 0.00 O ATOM 65 CB THR A 293 -14.627 1.577 2.819 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.219 1.558 4.108 1.00 0.00 O ATOM 67 CG2 THR A 293 -13.914 0.248 2.562 1.00 0.00 C ATOM 0 H THR A 293 -15.321 3.887 3.380 1.00 0.00 H new ATOM 0 HA THR A 293 -12.805 2.605 3.411 1.00 0.00 H new ATOM 0 HB THR A 293 -15.399 1.710 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 293 -14.889 0.783 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.632 -0.569 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.472 0.259 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.129 0.106 3.305 1.00 0.00 H new ATOM 75 N MET A 294 -13.957 3.167 0.382 1.00 0.00 N ATOM 76 CA MET A 294 -13.519 3.184 -1.031 1.00 0.00 C ATOM 77 C MET A 294 -12.261 4.047 -1.173 1.00 0.00 C ATOM 78 O MET A 294 -11.346 3.692 -1.882 1.00 0.00 O ATOM 79 CB MET A 294 -14.668 3.705 -1.911 1.00 0.00 C ATOM 80 CG MET A 294 -14.639 3.004 -3.278 1.00 0.00 C ATOM 81 SD MET A 294 -16.109 3.474 -4.228 1.00 0.00 S ATOM 82 CE MET A 294 -17.245 2.225 -3.562 1.00 0.00 C ATOM 0 H MET A 294 -14.923 3.451 0.546 1.00 0.00 H new ATOM 0 HA MET A 294 -13.268 2.176 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.624 3.524 -1.420 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.576 4.783 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.737 3.282 -3.822 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.610 1.923 -3.144 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.260 2.623 -3.554 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.210 1.332 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.948 1.969 -2.545 1.00 0.00 H new ATOM 92 N LYS A 295 -12.185 5.161 -0.495 1.00 0.00 N ATOM 93 CA LYS A 295 -10.951 6.000 -0.603 1.00 0.00 C ATOM 94 C LYS A 295 -9.742 5.119 -0.315 1.00 0.00 C ATOM 95 O LYS A 295 -8.765 5.132 -1.031 1.00 0.00 O ATOM 96 CB LYS A 295 -11.004 7.145 0.407 1.00 0.00 C ATOM 97 CG LYS A 295 -12.017 8.191 -0.065 1.00 0.00 C ATOM 98 CD LYS A 295 -12.327 9.165 1.078 1.00 0.00 C ATOM 99 CE LYS A 295 -11.124 10.079 1.322 1.00 0.00 C ATOM 100 NZ LYS A 295 -11.520 11.187 2.234 1.00 0.00 N ATOM 0 H LYS A 295 -12.912 5.525 0.121 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.879 6.423 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.287 6.766 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.018 7.598 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.619 8.735 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.933 7.701 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.205 9.762 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -12.564 8.611 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -10.304 9.510 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -10.763 10.483 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -10.703 11.809 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -12.290 11.736 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -11.844 10.792 3.140 1.00 0.00 H new ATOM 114 N ALA A 296 -9.801 4.327 0.708 1.00 0.00 N ATOM 115 CA ALA A 296 -8.653 3.435 0.979 1.00 0.00 C ATOM 116 C ALA A 296 -8.502 2.522 -0.238 1.00 0.00 C ATOM 117 O ALA A 296 -7.415 2.199 -0.660 1.00 0.00 O ATOM 118 CB ALA A 296 -8.930 2.599 2.229 1.00 0.00 C ATOM 0 H ALA A 296 -10.582 4.258 1.360 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.742 4.009 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.081 1.944 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.082 3.260 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.825 1.997 2.073 1.00 0.00 H new ATOM 124 N ARG A 297 -9.610 2.120 -0.802 1.00 0.00 N ATOM 125 CA ARG A 297 -9.590 1.230 -1.996 1.00 0.00 C ATOM 126 C ARG A 297 -9.011 1.968 -3.219 1.00 0.00 C ATOM 127 O ARG A 297 -8.216 1.420 -3.954 1.00 0.00 O ATOM 128 CB ARG A 297 -11.029 0.783 -2.284 1.00 0.00 C ATOM 129 CG ARG A 297 -11.029 -0.526 -3.075 1.00 0.00 C ATOM 130 CD ARG A 297 -12.472 -0.934 -3.376 1.00 0.00 C ATOM 131 NE ARG A 297 -12.500 -2.359 -3.814 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.633 -3.007 -3.854 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.741 -2.401 -3.522 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.655 -4.258 -4.226 1.00 0.00 N ATOM 0 H ARG A 297 -10.543 2.376 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.956 0.366 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.570 0.650 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.552 1.556 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.472 -0.403 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.529 -1.309 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.092 -0.802 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -12.888 -0.294 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.635 -2.827 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.720 -1.423 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.627 -2.905 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.788 -4.728 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.539 -4.765 -4.258 1.00 0.00 H new ATOM 148 N ARG A 298 -9.397 3.199 -3.455 1.00 0.00 N ATOM 149 CA ARG A 298 -8.845 3.924 -4.638 1.00 0.00 C ATOM 150 C ARG A 298 -7.358 4.199 -4.394 1.00 0.00 C ATOM 151 O ARG A 298 -6.541 4.054 -5.281 1.00 0.00 O ATOM 152 CB ARG A 298 -9.640 5.228 -4.898 1.00 0.00 C ATOM 153 CG ARG A 298 -9.079 6.416 -4.085 1.00 0.00 C ATOM 154 CD ARG A 298 -7.804 7.004 -4.741 1.00 0.00 C ATOM 155 NE ARG A 298 -8.019 8.453 -5.021 1.00 0.00 N ATOM 156 CZ ARG A 298 -6.998 9.216 -5.308 1.00 0.00 C ATOM 157 NH1 ARG A 298 -5.800 8.702 -5.362 1.00 0.00 N ATOM 158 NH2 ARG A 298 -7.172 10.487 -5.542 1.00 0.00 N ATOM 0 H ARG A 298 -10.061 3.725 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.946 3.311 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -9.607 5.468 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -10.687 5.073 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.839 7.193 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.849 6.088 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -6.947 6.872 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -7.578 6.472 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 298 -8.959 8.847 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -5.663 7.708 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -5.000 9.294 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -8.108 10.890 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -6.372 11.079 -5.766 1.00 0.00 H new ATOM 172 N ALA A 299 -6.995 4.561 -3.193 1.00 0.00 N ATOM 173 CA ALA A 299 -5.553 4.799 -2.903 1.00 0.00 C ATOM 174 C ALA A 299 -4.828 3.467 -3.059 1.00 0.00 C ATOM 175 O ALA A 299 -3.665 3.406 -3.408 1.00 0.00 O ATOM 176 CB ALA A 299 -5.390 5.309 -1.470 1.00 0.00 C ATOM 0 H ALA A 299 -7.629 4.701 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.142 5.544 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.334 5.481 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.940 6.242 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.780 4.567 -0.773 1.00 0.00 H new ATOM 182 N TRP A 300 -5.530 2.396 -2.818 1.00 0.00 N ATOM 183 CA TRP A 300 -4.927 1.046 -2.961 1.00 0.00 C ATOM 184 C TRP A 300 -4.832 0.704 -4.448 1.00 0.00 C ATOM 185 O TRP A 300 -4.119 -0.198 -4.841 1.00 0.00 O ATOM 186 CB TRP A 300 -5.808 0.023 -2.248 1.00 0.00 C ATOM 187 CG TRP A 300 -5.812 0.202 -0.737 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.727 -0.398 0.066 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.933 0.982 0.176 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.465 -0.080 1.380 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.382 0.759 1.507 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.808 1.838 0.015 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.751 1.338 2.610 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.180 2.417 1.131 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.647 2.164 2.422 1.00 0.00 C ATOM 0 H TRP A 300 -6.507 2.400 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.931 1.030 -2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.829 0.105 -2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.460 -0.981 -2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.536 -1.028 -0.273 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.011 -0.427 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.432 2.045 -0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.119 1.145 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.327 3.064 0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.152 2.608 3.273 1.00 0.00 H new ATOM 206 N THR A 301 -5.527 1.426 -5.286 1.00 0.00 N ATOM 207 CA THR A 301 -5.452 1.143 -6.749 1.00 0.00 C ATOM 208 C THR A 301 -4.210 1.821 -7.335 1.00 0.00 C ATOM 209 O THR A 301 -3.395 1.199 -7.989 1.00 0.00 O ATOM 210 CB THR A 301 -6.689 1.705 -7.445 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.858 1.298 -6.747 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.743 1.197 -8.889 1.00 0.00 C ATOM 0 H THR A 301 -6.141 2.197 -5.022 1.00 0.00 H new ATOM 0 HA THR A 301 -5.399 0.065 -6.902 1.00 0.00 H new ATOM 0 HB THR A 301 -6.636 2.794 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.776 1.542 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.627 1.600 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.849 1.521 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 301 -6.791 0.108 -8.890 1.00 0.00 H new ATOM 220 N ASP A 302 -4.072 3.101 -7.116 1.00 0.00 N ATOM 221 CA ASP A 302 -2.902 3.839 -7.666 1.00 0.00 C ATOM 222 C ASP A 302 -1.603 3.169 -7.222 1.00 0.00 C ATOM 223 O ASP A 302 -0.670 3.038 -7.990 1.00 0.00 O ATOM 224 CB ASP A 302 -2.931 5.283 -7.165 1.00 0.00 C ATOM 225 CG ASP A 302 -4.047 6.048 -7.883 1.00 0.00 C ATOM 226 OD1 ASP A 302 -5.200 5.790 -7.582 1.00 0.00 O ATOM 227 OD2 ASP A 302 -3.729 6.875 -8.721 1.00 0.00 O ATOM 0 H ASP A 302 -4.725 3.669 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.952 3.828 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.096 5.303 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -1.970 5.763 -7.349 1.00 0.00 H new ATOM 232 N VAL A 303 -1.523 2.743 -5.994 1.00 0.00 N ATOM 233 CA VAL A 303 -0.276 2.089 -5.532 1.00 0.00 C ATOM 234 C VAL A 303 -0.192 0.683 -6.130 1.00 0.00 C ATOM 235 O VAL A 303 0.880 0.187 -6.414 1.00 0.00 O ATOM 236 CB VAL A 303 -0.277 1.993 -4.006 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.449 3.387 -3.397 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.428 1.089 -3.558 1.00 0.00 C ATOM 0 H VAL A 303 -2.263 2.820 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 303 0.583 2.678 -5.854 1.00 0.00 H new ATOM 0 HB VAL A 303 0.671 1.573 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.449 3.312 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.373 4.028 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.394 3.816 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.432 1.018 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.374 1.509 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.298 0.095 -3.986 1.00 0.00 H new ATOM 248 N ILE A 304 -1.310 0.034 -6.335 1.00 0.00 N ATOM 249 CA ILE A 304 -1.258 -1.337 -6.922 1.00 0.00 C ATOM 250 C ILE A 304 -0.462 -1.256 -8.232 1.00 0.00 C ATOM 251 O ILE A 304 0.307 -2.138 -8.559 1.00 0.00 O ATOM 252 CB ILE A 304 -2.707 -1.862 -7.140 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.084 -2.834 -6.004 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.850 -2.593 -8.483 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.602 -3.045 -5.947 1.00 0.00 C ATOM 0 H ILE A 304 -2.243 0.388 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.761 -2.042 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.373 -0.999 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.585 -3.791 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.731 -2.440 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.875 -2.945 -8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.607 -1.910 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.170 -3.444 -8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.843 -3.734 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.096 -2.090 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.947 -3.461 -6.893 1.00 0.00 H new ATOM 267 N GLN A 305 -0.623 -0.191 -8.964 1.00 0.00 N ATOM 268 CA GLN A 305 0.140 -0.035 -10.229 1.00 0.00 C ATOM 269 C GLN A 305 1.575 0.368 -9.860 1.00 0.00 C ATOM 270 O GLN A 305 2.524 0.026 -10.539 1.00 0.00 O ATOM 271 CB GLN A 305 -0.572 1.041 -11.097 1.00 0.00 C ATOM 272 CG GLN A 305 0.418 2.021 -11.750 1.00 0.00 C ATOM 273 CD GLN A 305 1.452 1.251 -12.575 1.00 0.00 C ATOM 274 OE1 GLN A 305 2.487 1.786 -12.926 1.00 0.00 O ATOM 275 NE2 GLN A 305 1.218 0.010 -12.899 1.00 0.00 N ATOM 0 H GLN A 305 -1.252 0.580 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 305 0.180 -0.957 -10.809 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -1.156 0.548 -11.874 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.274 1.598 -10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -0.120 2.722 -12.389 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.919 2.610 -10.982 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.351 -0.439 -12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 305 1.902 -0.512 -13.446 1.00 0.00 H new ATOM 284 N THR A 306 1.735 1.094 -8.788 1.00 0.00 N ATOM 285 CA THR A 306 3.099 1.525 -8.380 1.00 0.00 C ATOM 286 C THR A 306 3.885 0.336 -7.817 1.00 0.00 C ATOM 287 O THR A 306 4.978 0.053 -8.254 1.00 0.00 O ATOM 288 CB THR A 306 2.995 2.619 -7.311 1.00 0.00 C ATOM 289 OG1 THR A 306 1.938 3.508 -7.644 1.00 0.00 O ATOM 290 CG2 THR A 306 4.313 3.392 -7.237 1.00 0.00 C ATOM 0 H THR A 306 0.980 1.407 -8.178 1.00 0.00 H new ATOM 0 HA THR A 306 3.621 1.914 -9.254 1.00 0.00 H new ATOM 0 HB THR A 306 2.792 2.161 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.096 3.010 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.237 4.169 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.122 2.709 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.521 3.850 -8.204 1.00 0.00 H new ATOM 298 N LEU A 307 3.345 -0.358 -6.847 1.00 0.00 N ATOM 299 CA LEU A 307 4.086 -1.521 -6.262 1.00 0.00 C ATOM 300 C LEU A 307 4.654 -2.381 -7.401 1.00 0.00 C ATOM 301 O LEU A 307 5.772 -2.852 -7.340 1.00 0.00 O ATOM 302 CB LEU A 307 3.125 -2.374 -5.397 1.00 0.00 C ATOM 303 CG LEU A 307 3.115 -1.911 -3.924 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.369 -2.415 -3.184 1.00 0.00 C ATOM 305 CD2 LEU A 307 3.033 -0.374 -3.842 1.00 0.00 C ATOM 0 H LEU A 307 2.430 -0.173 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 307 4.900 -1.156 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.116 -2.311 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.424 -3.421 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 307 2.235 -2.336 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.341 -2.077 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.393 -3.504 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.261 -2.021 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.027 -0.065 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.895 0.064 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 307 2.118 -0.032 -4.327 1.00 0.00 H new ATOM 317 N ARG A 308 3.889 -2.584 -8.433 1.00 0.00 N ATOM 318 CA ARG A 308 4.374 -3.410 -9.576 1.00 0.00 C ATOM 319 C ARG A 308 5.612 -2.754 -10.203 1.00 0.00 C ATOM 320 O ARG A 308 6.211 -3.297 -11.111 1.00 0.00 O ATOM 321 CB ARG A 308 3.255 -3.540 -10.627 1.00 0.00 C ATOM 322 CG ARG A 308 3.429 -4.843 -11.418 1.00 0.00 C ATOM 323 CD ARG A 308 2.294 -4.989 -12.435 1.00 0.00 C ATOM 324 NE ARG A 308 2.216 -6.405 -12.891 1.00 0.00 N ATOM 325 CZ ARG A 308 1.152 -6.829 -13.515 1.00 0.00 C ATOM 326 NH1 ARG A 308 0.162 -6.010 -13.745 1.00 0.00 N ATOM 327 NH2 ARG A 308 1.078 -8.070 -13.910 1.00 0.00 N ATOM 0 H ARG A 308 2.945 -2.213 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 308 4.645 -4.403 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.281 -3.529 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.280 -2.687 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.391 -4.842 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.431 -5.694 -10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.348 -4.688 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 308 2.467 -4.330 -13.286 1.00 0.00 H new ATOM 0 HE ARG A 308 2.993 -7.042 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 308 0.221 -5.039 -13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -0.671 -6.341 -14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.852 -8.709 -13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 308 0.246 -8.401 -14.398 1.00 0.00 H new ATOM 341 N GLU A 309 5.997 -1.590 -9.746 1.00 0.00 N ATOM 342 CA GLU A 309 7.188 -0.924 -10.352 1.00 0.00 C ATOM 343 C GLU A 309 8.478 -1.546 -9.807 1.00 0.00 C ATOM 344 O GLU A 309 9.543 -1.333 -10.353 1.00 0.00 O ATOM 345 CB GLU A 309 7.171 0.572 -10.024 1.00 0.00 C ATOM 346 CG GLU A 309 5.985 1.237 -10.727 1.00 0.00 C ATOM 347 CD GLU A 309 6.279 1.352 -12.224 1.00 0.00 C ATOM 348 OE1 GLU A 309 7.267 1.982 -12.566 1.00 0.00 O ATOM 349 OE2 GLU A 309 5.513 0.809 -13.002 1.00 0.00 O ATOM 0 H GLU A 309 5.545 -1.077 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 309 7.151 -1.062 -11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 309 7.097 0.718 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 309 8.104 1.036 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 309 5.079 0.652 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.805 2.225 -10.304 1.00 0.00 H new ATOM 356 N HIS A 310 8.399 -2.333 -8.755 1.00 0.00 N ATOM 357 CA HIS A 310 9.634 -2.989 -8.205 1.00 0.00 C ATOM 358 C HIS A 310 9.356 -4.480 -7.940 1.00 0.00 C ATOM 359 O HIS A 310 8.560 -5.093 -8.626 1.00 0.00 O ATOM 360 CB HIS A 310 10.103 -2.262 -6.934 1.00 0.00 C ATOM 361 CG HIS A 310 8.966 -2.034 -5.979 1.00 0.00 C ATOM 362 ND1 HIS A 310 8.855 -2.743 -4.794 1.00 0.00 N ATOM 363 CD2 HIS A 310 7.921 -1.141 -5.980 1.00 0.00 C ATOM 364 CE1 HIS A 310 7.787 -2.265 -4.135 1.00 0.00 C ATOM 365 NE2 HIS A 310 7.179 -1.290 -4.815 1.00 0.00 N ATOM 0 H HIS A 310 7.536 -2.549 -8.255 1.00 0.00 H new ATOM 0 HA HIS A 310 10.440 -2.921 -8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 310 10.879 -2.849 -6.443 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.550 -1.305 -7.205 1.00 0.00 H new ATOM 0 HD1 HIS A 310 9.472 -3.492 -4.479 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.709 -0.432 -6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 310 7.459 -2.626 -3.171 1.00 0.00 H new ATOM 373 N LYS A 311 10.017 -5.080 -6.975 1.00 0.00 N ATOM 374 CA LYS A 311 9.804 -6.543 -6.696 1.00 0.00 C ATOM 375 C LYS A 311 8.853 -6.742 -5.518 1.00 0.00 C ATOM 376 O LYS A 311 9.208 -7.313 -4.507 1.00 0.00 O ATOM 377 CB LYS A 311 11.149 -7.212 -6.378 1.00 0.00 C ATOM 378 CG LYS A 311 11.898 -6.421 -5.295 1.00 0.00 C ATOM 379 CD LYS A 311 13.301 -7.009 -5.095 1.00 0.00 C ATOM 380 CE LYS A 311 13.208 -8.487 -4.698 1.00 0.00 C ATOM 381 NZ LYS A 311 14.472 -8.890 -4.018 1.00 0.00 N ATOM 0 H LYS A 311 10.696 -4.621 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 311 9.363 -6.997 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.983 -8.235 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.757 -7.269 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.971 -5.372 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.343 -6.456 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 311 13.879 -6.908 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.830 -6.451 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 311 12.357 -8.645 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.043 -9.104 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 14.416 -9.892 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 15.274 -8.752 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 14.610 -8.308 -3.167 1.00 0.00 H new ATOM 395 N CYS A 312 7.634 -6.309 -5.648 1.00 0.00 N ATOM 396 CA CYS A 312 6.657 -6.504 -4.542 1.00 0.00 C ATOM 397 C CYS A 312 5.254 -6.585 -5.125 1.00 0.00 C ATOM 398 O CYS A 312 4.666 -5.594 -5.508 1.00 0.00 O ATOM 399 CB CYS A 312 6.739 -5.340 -3.563 1.00 0.00 C ATOM 400 SG CYS A 312 8.461 -5.105 -3.054 1.00 0.00 S ATOM 0 H CYS A 312 7.270 -5.829 -6.471 1.00 0.00 H new ATOM 0 HA CYS A 312 6.889 -7.428 -4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.358 -4.431 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.114 -5.538 -2.692 1.00 0.00 H new ATOM 0 HG CYS A 312 9.130 -6.199 -3.267 1.00 0.00 H new ATOM 406 N GLN A 313 4.722 -7.768 -5.199 1.00 0.00 N ATOM 407 CA GLN A 313 3.357 -7.931 -5.763 1.00 0.00 C ATOM 408 C GLN A 313 2.321 -7.386 -4.759 1.00 0.00 C ATOM 409 O GLN A 313 2.272 -7.828 -3.631 1.00 0.00 O ATOM 410 CB GLN A 313 3.090 -9.420 -6.010 1.00 0.00 C ATOM 411 CG GLN A 313 3.862 -9.889 -7.253 1.00 0.00 C ATOM 412 CD GLN A 313 3.102 -9.489 -8.522 1.00 0.00 C ATOM 413 OE1 GLN A 313 1.934 -9.793 -8.665 1.00 0.00 O ATOM 414 NE2 GLN A 313 3.720 -8.818 -9.456 1.00 0.00 N ATOM 0 H GLN A 313 5.173 -8.630 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 313 3.279 -7.382 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.395 -10.002 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.022 -9.589 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.858 -9.447 -7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 313 3.993 -10.971 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 313 4.700 -8.562 -9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 313 3.223 -8.549 -10.305 1.00 0.00 H new ATOM 423 N PRO A 314 1.497 -6.429 -5.146 1.00 0.00 N ATOM 424 CA PRO A 314 0.472 -5.850 -4.226 1.00 0.00 C ATOM 425 C PRO A 314 -0.771 -6.736 -4.107 1.00 0.00 C ATOM 426 O PRO A 314 -1.117 -7.472 -5.010 1.00 0.00 O ATOM 427 CB PRO A 314 0.122 -4.520 -4.890 1.00 0.00 C ATOM 428 CG PRO A 314 0.288 -4.781 -6.352 1.00 0.00 C ATOM 429 CD PRO A 314 1.440 -5.786 -6.475 1.00 0.00 C ATOM 0 HA PRO A 314 0.844 -5.750 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.897 -4.214 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.781 -3.721 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.629 -5.184 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.515 -3.860 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.251 -6.515 -7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.379 -5.289 -6.719 1.00 0.00 H new ATOM 437 N ARG A 315 -1.444 -6.662 -2.991 1.00 0.00 N ATOM 438 CA ARG A 315 -2.667 -7.488 -2.789 1.00 0.00 C ATOM 439 C ARG A 315 -3.657 -6.702 -1.918 1.00 0.00 C ATOM 440 O ARG A 315 -3.360 -6.344 -0.795 1.00 0.00 O ATOM 441 CB ARG A 315 -2.273 -8.800 -2.082 1.00 0.00 C ATOM 442 CG ARG A 315 -1.096 -8.547 -1.104 1.00 0.00 C ATOM 443 CD ARG A 315 0.274 -8.812 -1.774 1.00 0.00 C ATOM 444 NE ARG A 315 0.765 -10.156 -1.337 1.00 0.00 N ATOM 445 CZ ARG A 315 1.785 -10.714 -1.933 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.393 -10.099 -2.905 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.201 -11.892 -1.551 1.00 0.00 N ATOM 0 H ARG A 315 -1.197 -6.060 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.132 -7.720 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -3.129 -9.200 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -1.987 -9.549 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.134 -7.517 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.204 -9.190 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.178 -8.779 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.989 -8.038 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 315 0.300 -10.640 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.074 -9.178 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.189 -10.538 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.729 -12.376 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.997 -12.327 -2.017 1.00 0.00 H new ATOM 461 N LEU A 316 -4.836 -6.438 -2.422 1.00 0.00 N ATOM 462 CA LEU A 316 -5.840 -5.694 -1.626 1.00 0.00 C ATOM 463 C LEU A 316 -6.690 -6.704 -0.873 1.00 0.00 C ATOM 464 O LEU A 316 -7.403 -7.500 -1.453 1.00 0.00 O ATOM 465 CB LEU A 316 -6.724 -4.863 -2.559 1.00 0.00 C ATOM 466 CG LEU A 316 -7.335 -3.689 -1.787 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.182 -2.832 -2.733 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.205 -4.221 -0.643 1.00 0.00 C ATOM 0 H LEU A 316 -5.141 -6.710 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.345 -5.022 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.135 -4.491 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.515 -5.486 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.535 -3.075 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.615 -1.998 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.554 -2.447 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.981 -3.440 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.638 -3.384 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.004 -4.840 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.592 -4.818 0.033 1.00 0.00 H new ATOM 480 N LEU A 317 -6.605 -6.679 0.416 1.00 0.00 N ATOM 481 CA LEU A 317 -7.387 -7.636 1.257 1.00 0.00 C ATOM 482 C LEU A 317 -8.588 -6.893 1.823 1.00 0.00 C ATOM 483 O LEU A 317 -9.043 -5.965 1.204 1.00 0.00 O ATOM 484 CB LEU A 317 -6.485 -8.155 2.378 1.00 0.00 C ATOM 485 CG LEU A 317 -5.112 -8.507 1.789 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.231 -9.151 2.855 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.288 -9.488 0.624 1.00 0.00 C ATOM 0 H LEU A 317 -6.020 -6.029 0.941 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.736 -8.487 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.379 -7.400 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.931 -9.033 2.845 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.637 -7.592 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.260 -9.396 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -4.096 -8.456 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.707 -10.062 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.312 -9.737 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.771 -10.397 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -5.906 -9.029 -0.148 1.00 0.00 H new ATOM 499 N TYR A 318 -9.083 -7.306 2.984 1.00 0.00 N ATOM 500 CA TYR A 318 -10.277 -6.653 3.666 1.00 0.00 C ATOM 501 C TYR A 318 -10.794 -5.425 2.882 1.00 0.00 C ATOM 502 O TYR A 318 -10.006 -4.694 2.341 1.00 0.00 O ATOM 503 CB TYR A 318 -9.819 -6.201 5.068 1.00 0.00 C ATOM 504 CG TYR A 318 -10.944 -6.293 6.072 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.300 -7.534 6.608 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.627 -5.135 6.469 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.340 -7.621 7.542 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.667 -5.221 7.402 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.024 -6.463 7.938 1.00 0.00 C ATOM 510 OH TYR A 318 -14.049 -6.549 8.858 1.00 0.00 O ATOM 0 H TYR A 318 -8.697 -8.094 3.504 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.094 -7.373 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.984 -6.820 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.455 -5.175 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.773 -8.426 6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.351 -4.176 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.615 -8.579 7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.194 -4.329 7.708 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.416 -5.655 9.023 1.00 0.00 H new ATOM 520 N PRO A 319 -12.096 -5.187 2.832 1.00 0.00 N ATOM 521 CA PRO A 319 -12.686 -4.029 2.101 1.00 0.00 C ATOM 522 C PRO A 319 -11.733 -2.831 1.960 1.00 0.00 C ATOM 523 O PRO A 319 -11.874 -2.017 1.071 1.00 0.00 O ATOM 524 CB PRO A 319 -13.893 -3.694 2.965 1.00 0.00 C ATOM 525 CG PRO A 319 -14.398 -5.035 3.417 1.00 0.00 C ATOM 526 CD PRO A 319 -13.171 -5.976 3.465 1.00 0.00 C ATOM 0 HA PRO A 319 -12.925 -4.268 1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.616 -3.065 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.651 -3.152 2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.868 -4.961 4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.152 -5.417 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.916 -6.249 4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.357 -6.904 2.924 1.00 0.00 H new ATOM 534 N ALA A 320 -10.738 -2.745 2.802 1.00 0.00 N ATOM 535 CA ALA A 320 -9.758 -1.638 2.681 1.00 0.00 C ATOM 536 C ALA A 320 -8.468 -1.989 3.437 1.00 0.00 C ATOM 537 O ALA A 320 -8.043 -1.255 4.305 1.00 0.00 O ATOM 538 CB ALA A 320 -10.360 -0.349 3.246 1.00 0.00 C ATOM 0 H ALA A 320 -10.565 -3.396 3.568 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.519 -1.490 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.636 0.461 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.262 -0.094 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.611 -0.495 4.297 1.00 0.00 H new ATOM 544 N LYS A 321 -7.817 -3.087 3.099 1.00 0.00 N ATOM 545 CA LYS A 321 -6.532 -3.438 3.788 1.00 0.00 C ATOM 546 C LYS A 321 -5.509 -3.772 2.708 1.00 0.00 C ATOM 547 O LYS A 321 -5.735 -4.615 1.863 1.00 0.00 O ATOM 548 CB LYS A 321 -6.731 -4.623 4.741 1.00 0.00 C ATOM 549 CG LYS A 321 -5.373 -5.018 5.356 1.00 0.00 C ATOM 550 CD LYS A 321 -5.551 -5.661 6.746 1.00 0.00 C ATOM 551 CE LYS A 321 -5.932 -7.134 6.599 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.162 -7.722 7.949 1.00 0.00 N ATOM 0 H LYS A 321 -8.120 -3.746 2.382 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.183 -2.600 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.436 -4.356 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -7.159 -5.469 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -4.861 -5.716 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -4.739 -4.135 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.627 -5.572 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.323 -5.132 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.831 -7.230 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.139 -7.677 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -6.421 -8.724 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.293 -7.643 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.932 -7.210 8.424 1.00 0.00 H new ATOM 566 N LEU A 322 -4.407 -3.061 2.693 1.00 0.00 N ATOM 567 CA LEU A 322 -3.378 -3.262 1.624 1.00 0.00 C ATOM 568 C LEU A 322 -2.161 -4.022 2.154 1.00 0.00 C ATOM 569 O LEU A 322 -1.497 -3.601 3.079 1.00 0.00 O ATOM 570 CB LEU A 322 -2.966 -1.861 1.136 1.00 0.00 C ATOM 571 CG LEU A 322 -2.368 -1.885 -0.283 1.00 0.00 C ATOM 572 CD1 LEU A 322 -1.072 -2.688 -0.278 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.365 -2.488 -1.297 1.00 0.00 C ATOM 0 H LEU A 322 -4.175 -2.345 3.381 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.789 -3.860 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.836 -1.204 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.237 -1.438 1.827 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.159 -0.860 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.650 -2.704 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.361 -2.226 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.277 -3.708 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.916 -2.492 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.608 -3.509 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.275 -1.888 -1.313 1.00 0.00 H new ATOM 585 N SER A 323 -1.863 -5.142 1.540 1.00 0.00 N ATOM 586 CA SER A 323 -0.684 -5.962 1.945 1.00 0.00 C ATOM 587 C SER A 323 0.393 -5.834 0.864 1.00 0.00 C ATOM 588 O SER A 323 0.102 -5.611 -0.294 1.00 0.00 O ATOM 589 CB SER A 323 -1.124 -7.432 2.099 1.00 0.00 C ATOM 590 OG SER A 323 -2.247 -7.670 1.263 1.00 0.00 O ATOM 0 H SER A 323 -2.399 -5.527 0.762 1.00 0.00 H new ATOM 0 HA SER A 323 -0.281 -5.615 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 323 -0.306 -8.100 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.377 -7.642 3.138 1.00 0.00 H new ATOM 0 HG SER A 323 -2.268 -7.003 0.545 1.00 0.00 H new ATOM 596 N ILE A 324 1.638 -5.958 1.233 1.00 0.00 N ATOM 597 CA ILE A 324 2.735 -5.832 0.231 1.00 0.00 C ATOM 598 C ILE A 324 3.872 -6.787 0.589 1.00 0.00 C ATOM 599 O ILE A 324 4.093 -7.119 1.737 1.00 0.00 O ATOM 600 CB ILE A 324 3.260 -4.393 0.221 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.335 -3.836 1.669 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.329 -3.524 -0.630 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.627 -3.035 1.840 1.00 0.00 C ATOM 0 H ILE A 324 1.944 -6.142 2.188 1.00 0.00 H new ATOM 0 HA ILE A 324 2.349 -6.084 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 324 4.263 -4.378 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.472 -3.202 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.304 -4.655 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.698 -2.498 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.301 -3.910 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.325 -3.544 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.681 -2.644 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.484 -3.683 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 324 4.638 -2.207 1.131 1.00 0.00 H new ATOM 615 N THR A 325 4.585 -7.236 -0.410 1.00 0.00 N ATOM 616 CA THR A 325 5.717 -8.186 -0.192 1.00 0.00 C ATOM 617 C THR A 325 7.056 -7.467 -0.398 1.00 0.00 C ATOM 618 O THR A 325 7.424 -7.137 -1.508 1.00 0.00 O ATOM 619 CB THR A 325 5.586 -9.339 -1.205 1.00 0.00 C ATOM 620 OG1 THR A 325 4.477 -10.148 -0.846 1.00 0.00 O ATOM 621 CG2 THR A 325 6.860 -10.202 -1.209 1.00 0.00 C ATOM 0 H THR A 325 4.428 -6.980 -1.385 1.00 0.00 H new ATOM 0 HA THR A 325 5.684 -8.573 0.827 1.00 0.00 H new ATOM 0 HB THR A 325 5.442 -8.920 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.641 -11.072 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 325 6.749 -11.011 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 325 7.716 -9.586 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.019 -10.621 -0.215 1.00 0.00 H new ATOM 629 N ILE A 326 7.796 -7.241 0.664 1.00 0.00 N ATOM 630 CA ILE A 326 9.129 -6.563 0.544 1.00 0.00 C ATOM 631 C ILE A 326 10.185 -7.418 1.245 1.00 0.00 C ATOM 632 O ILE A 326 9.948 -7.977 2.297 1.00 0.00 O ATOM 633 CB ILE A 326 9.081 -5.182 1.213 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.046 -4.303 0.499 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.464 -4.522 1.112 1.00 0.00 C ATOM 636 CD1 ILE A 326 7.949 -2.940 1.196 1.00 0.00 C ATOM 0 H ILE A 326 7.532 -7.499 1.615 1.00 0.00 H new ATOM 0 HA ILE A 326 9.377 -6.442 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 326 8.802 -5.294 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.329 -4.168 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.073 -4.794 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.434 -3.541 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.203 -5.146 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.738 -4.410 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.212 -2.321 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.645 -3.082 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.921 -2.447 1.167 1.00 0.00 H new ATOM 648 N ASP A 327 11.354 -7.506 0.665 1.00 0.00 N ATOM 649 CA ASP A 327 12.462 -8.309 1.272 1.00 0.00 C ATOM 650 C ASP A 327 11.918 -9.602 1.890 1.00 0.00 C ATOM 651 O ASP A 327 12.450 -10.109 2.857 1.00 0.00 O ATOM 652 CB ASP A 327 13.163 -7.480 2.351 1.00 0.00 C ATOM 653 CG ASP A 327 12.217 -7.263 3.535 1.00 0.00 C ATOM 654 OD1 ASP A 327 11.835 -8.243 4.152 1.00 0.00 O ATOM 655 OD2 ASP A 327 11.894 -6.118 3.807 1.00 0.00 O ATOM 0 H ASP A 327 11.593 -7.050 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 327 13.173 -8.571 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 327 14.067 -7.990 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.473 -6.519 1.940 1.00 0.00 H new ATOM 660 N GLY A 328 10.867 -10.139 1.334 1.00 0.00 N ATOM 661 CA GLY A 328 10.287 -11.402 1.884 1.00 0.00 C ATOM 662 C GLY A 328 9.267 -11.066 2.973 1.00 0.00 C ATOM 663 O GLY A 328 8.096 -11.365 2.854 1.00 0.00 O ATOM 0 H GLY A 328 10.382 -9.759 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.809 -11.972 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.079 -12.029 2.294 1.00 0.00 H new ATOM 667 N GLU A 329 9.703 -10.449 4.037 1.00 0.00 N ATOM 668 CA GLU A 329 8.756 -10.101 5.134 1.00 0.00 C ATOM 669 C GLU A 329 7.600 -9.273 4.555 1.00 0.00 C ATOM 670 O GLU A 329 7.803 -8.230 3.966 1.00 0.00 O ATOM 671 CB GLU A 329 9.510 -9.296 6.223 1.00 0.00 C ATOM 672 CG GLU A 329 9.333 -9.951 7.603 1.00 0.00 C ATOM 673 CD GLU A 329 9.792 -8.978 8.692 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.989 -8.775 8.811 1.00 0.00 O ATOM 675 OE2 GLU A 329 8.938 -8.455 9.387 1.00 0.00 O ATOM 0 H GLU A 329 10.672 -10.171 4.194 1.00 0.00 H new ATOM 0 HA GLU A 329 8.351 -11.007 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.570 -9.242 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.136 -8.272 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.288 -10.221 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.912 -10.873 7.657 1.00 0.00 H new ATOM 682 N THR A 330 6.390 -9.733 4.723 1.00 0.00 N ATOM 683 CA THR A 330 5.216 -8.980 4.189 1.00 0.00 C ATOM 684 C THR A 330 4.742 -7.963 5.233 1.00 0.00 C ATOM 685 O THR A 330 4.858 -8.183 6.422 1.00 0.00 O ATOM 686 CB THR A 330 4.083 -9.960 3.866 1.00 0.00 C ATOM 687 OG1 THR A 330 2.904 -9.232 3.554 1.00 0.00 O ATOM 688 CG2 THR A 330 3.822 -10.870 5.068 1.00 0.00 C ATOM 0 H THR A 330 6.162 -10.601 5.208 1.00 0.00 H new ATOM 0 HA THR A 330 5.504 -8.453 3.280 1.00 0.00 H new ATOM 0 HB THR A 330 4.370 -10.573 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.127 -8.489 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 330 3.015 -11.564 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.726 -11.431 5.302 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.538 -10.264 5.928 1.00 0.00 H new ATOM 696 N LYS A 331 4.200 -6.852 4.794 1.00 0.00 N ATOM 697 CA LYS A 331 3.700 -5.808 5.745 1.00 0.00 C ATOM 698 C LYS A 331 2.287 -5.420 5.311 1.00 0.00 C ATOM 699 O LYS A 331 1.923 -5.580 4.162 1.00 0.00 O ATOM 700 CB LYS A 331 4.645 -4.579 5.693 1.00 0.00 C ATOM 701 CG LYS A 331 5.356 -4.374 7.041 1.00 0.00 C ATOM 702 CD LYS A 331 4.412 -3.686 8.028 1.00 0.00 C ATOM 703 CE LYS A 331 5.136 -3.470 9.359 1.00 0.00 C ATOM 704 NZ LYS A 331 6.299 -2.563 9.152 1.00 0.00 N ATOM 0 H LYS A 331 4.082 -6.622 3.807 1.00 0.00 H new ATOM 0 HA LYS A 331 3.680 -6.183 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.385 -4.718 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.073 -3.686 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.678 -5.335 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 331 6.253 -3.770 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 331 4.079 -2.730 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 331 3.521 -4.295 8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.452 -3.040 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 331 5.474 -4.425 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.322 -1.850 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 7.179 -3.117 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.209 -2.088 8.231 1.00 0.00 H new ATOM 718 N VAL A 332 1.483 -4.924 6.216 1.00 0.00 N ATOM 719 CA VAL A 332 0.083 -4.550 5.840 1.00 0.00 C ATOM 720 C VAL A 332 -0.379 -3.303 6.599 1.00 0.00 C ATOM 721 O VAL A 332 0.021 -3.053 7.719 1.00 0.00 O ATOM 722 CB VAL A 332 -0.847 -5.718 6.173 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.164 -5.544 5.427 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.201 -7.034 5.742 1.00 0.00 C ATOM 0 H VAL A 332 1.731 -4.762 7.192 1.00 0.00 H new ATOM 0 HA VAL A 332 0.055 -4.330 4.773 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.028 -5.736 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.828 -6.375 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.633 -4.608 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.974 -5.524 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.868 -7.862 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.018 -7.015 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.744 -7.165 6.269 1.00 0.00 H new ATOM 734 N PHE A 333 -1.240 -2.526 5.986 1.00 0.00 N ATOM 735 CA PHE A 333 -1.768 -1.292 6.643 1.00 0.00 C ATOM 736 C PHE A 333 -3.260 -1.158 6.328 1.00 0.00 C ATOM 737 O PHE A 333 -3.714 -1.530 5.264 1.00 0.00 O ATOM 738 CB PHE A 333 -1.005 -0.071 6.124 1.00 0.00 C ATOM 739 CG PHE A 333 0.455 -0.425 5.983 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.914 -1.036 4.812 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.348 -0.146 7.026 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.265 -1.368 4.681 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.702 -0.478 6.893 1.00 0.00 C ATOM 744 CZ PHE A 333 3.160 -1.089 5.720 1.00 0.00 C ATOM 0 H PHE A 333 -1.602 -2.698 5.048 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.633 -1.357 7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.410 0.245 5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.124 0.767 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.225 -1.251 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.993 0.324 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.619 -1.841 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.392 -0.263 7.695 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.204 -1.345 5.617 1.00 0.00 H new ATOM 754 N HIS A 334 -4.029 -0.650 7.258 1.00 0.00 N ATOM 755 CA HIS A 334 -5.505 -0.512 7.036 1.00 0.00 C ATOM 756 C HIS A 334 -5.858 0.933 6.652 1.00 0.00 C ATOM 757 O HIS A 334 -6.724 1.168 5.832 1.00 0.00 O ATOM 758 CB HIS A 334 -6.230 -0.893 8.338 1.00 0.00 C ATOM 759 CG HIS A 334 -7.630 -1.363 8.042 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.342 -0.929 6.934 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.463 -2.232 8.703 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.545 -1.530 6.964 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.672 -2.334 8.023 1.00 0.00 N ATOM 0 H HIS A 334 -3.699 -0.323 8.166 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.815 -1.168 6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.677 -1.679 8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.262 -0.034 9.008 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -8.013 -0.273 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.216 -2.757 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.315 -1.381 6.222 1.00 0.00 H new ATOM 771 N ASP A 335 -5.214 1.907 7.250 1.00 0.00 N ATOM 772 CA ASP A 335 -5.540 3.335 6.927 1.00 0.00 C ATOM 773 C ASP A 335 -4.609 3.862 5.828 1.00 0.00 C ATOM 774 O ASP A 335 -3.592 3.272 5.518 1.00 0.00 O ATOM 775 CB ASP A 335 -5.374 4.187 8.195 1.00 0.00 C ATOM 776 CG ASP A 335 -6.160 5.495 8.049 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.393 5.903 6.924 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.518 6.064 9.067 1.00 0.00 O ATOM 0 H ASP A 335 -4.479 1.777 7.945 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.568 3.395 6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.729 3.634 9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.319 4.403 8.363 1.00 0.00 H new ATOM 783 N LYS A 336 -4.957 4.977 5.238 1.00 0.00 N ATOM 784 CA LYS A 336 -4.108 5.560 4.158 1.00 0.00 C ATOM 785 C LYS A 336 -2.893 6.258 4.771 1.00 0.00 C ATOM 786 O LYS A 336 -1.794 6.165 4.263 1.00 0.00 O ATOM 787 CB LYS A 336 -4.926 6.579 3.362 1.00 0.00 C ATOM 788 CG LYS A 336 -5.953 5.845 2.491 1.00 0.00 C ATOM 789 CD LYS A 336 -6.989 6.841 1.931 1.00 0.00 C ATOM 790 CE LYS A 336 -8.139 7.024 2.928 1.00 0.00 C ATOM 791 NZ LYS A 336 -8.849 5.728 3.102 1.00 0.00 N ATOM 0 H LYS A 336 -5.797 5.511 5.460 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.770 4.761 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -5.433 7.264 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -4.267 7.181 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.447 5.336 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.457 5.078 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.512 7.801 1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -7.377 6.477 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.753 7.372 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -8.831 7.785 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.994 5.545 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -9.771 5.770 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -8.279 4.962 2.690 1.00 0.00 H new ATOM 805 N THR A 337 -3.080 6.954 5.854 1.00 0.00 N ATOM 806 CA THR A 337 -1.938 7.661 6.493 1.00 0.00 C ATOM 807 C THR A 337 -0.896 6.642 6.928 1.00 0.00 C ATOM 808 O THR A 337 0.267 6.743 6.594 1.00 0.00 O ATOM 809 CB THR A 337 -2.426 8.417 7.726 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.433 9.345 7.348 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.247 9.160 8.358 1.00 0.00 C ATOM 0 H THR A 337 -3.977 7.065 6.326 1.00 0.00 H new ATOM 0 HA THR A 337 -1.505 8.361 5.778 1.00 0.00 H new ATOM 0 HB THR A 337 -2.842 7.714 8.448 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.747 9.828 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.589 9.702 9.240 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.479 8.443 8.648 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.832 9.864 7.637 1.00 0.00 H new ATOM 819 N LYS A 338 -1.309 5.664 7.679 1.00 0.00 N ATOM 820 CA LYS A 338 -0.361 4.628 8.155 1.00 0.00 C ATOM 821 C LYS A 338 0.533 4.171 6.997 1.00 0.00 C ATOM 822 O LYS A 338 1.709 3.918 7.171 1.00 0.00 O ATOM 823 CB LYS A 338 -1.183 3.455 8.708 1.00 0.00 C ATOM 824 CG LYS A 338 -0.400 2.694 9.785 1.00 0.00 C ATOM 825 CD LYS A 338 -1.368 1.795 10.549 1.00 0.00 C ATOM 826 CE LYS A 338 -0.587 0.888 11.501 1.00 0.00 C ATOM 827 NZ LYS A 338 0.524 1.664 12.119 1.00 0.00 N ATOM 0 H LYS A 338 -2.274 5.538 7.986 1.00 0.00 H new ATOM 0 HA LYS A 338 0.285 5.025 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.118 3.827 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.446 2.776 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.389 2.097 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.084 3.394 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.078 2.403 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.948 1.192 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -1.248 0.498 12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -0.189 0.030 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.861 1.170 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 1.305 1.754 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 0.182 2.611 12.381 1.00 0.00 H new ATOM 841 N PHE A 339 -0.006 4.073 5.813 1.00 0.00 N ATOM 842 CA PHE A 339 0.836 3.649 4.662 1.00 0.00 C ATOM 843 C PHE A 339 1.919 4.703 4.414 1.00 0.00 C ATOM 844 O PHE A 339 3.094 4.434 4.528 1.00 0.00 O ATOM 845 CB PHE A 339 -0.016 3.489 3.402 1.00 0.00 C ATOM 846 CG PHE A 339 0.853 2.922 2.305 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.072 1.542 2.228 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.451 3.778 1.374 1.00 0.00 C ATOM 849 CE1 PHE A 339 1.889 1.016 1.222 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.267 3.253 0.364 1.00 0.00 C ATOM 851 CZ PHE A 339 2.487 1.869 0.288 1.00 0.00 C ATOM 0 H PHE A 339 -0.983 4.266 5.595 1.00 0.00 H new ATOM 0 HA PHE A 339 1.296 2.689 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.860 2.827 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.429 4.451 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 339 0.609 0.882 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.283 4.843 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.058 -0.049 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.727 3.913 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.117 1.463 -0.490 1.00 0.00 H new ATOM 861 N THR A 340 1.535 5.902 4.066 1.00 0.00 N ATOM 862 CA THR A 340 2.565 6.960 3.808 1.00 0.00 C ATOM 863 C THR A 340 3.593 6.967 4.944 1.00 0.00 C ATOM 864 O THR A 340 4.784 7.038 4.719 1.00 0.00 O ATOM 865 CB THR A 340 1.902 8.343 3.718 1.00 0.00 C ATOM 866 OG1 THR A 340 1.914 8.962 4.999 1.00 0.00 O ATOM 867 CG2 THR A 340 0.461 8.199 3.239 1.00 0.00 C ATOM 0 H THR A 340 0.565 6.196 3.949 1.00 0.00 H new ATOM 0 HA THR A 340 3.060 6.740 2.862 1.00 0.00 H new ATOM 0 HB THR A 340 2.457 8.958 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 340 1.492 9.845 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 340 -0.002 9.184 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 340 0.450 7.731 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 340 -0.096 7.579 3.942 1.00 0.00 H new ATOM 875 N GLN A 341 3.138 6.891 6.161 1.00 0.00 N ATOM 876 CA GLN A 341 4.081 6.889 7.316 1.00 0.00 C ATOM 877 C GLN A 341 5.068 5.738 7.157 1.00 0.00 C ATOM 878 O GLN A 341 6.243 5.878 7.429 1.00 0.00 O ATOM 879 CB GLN A 341 3.287 6.730 8.610 1.00 0.00 C ATOM 880 CG GLN A 341 2.386 7.953 8.790 1.00 0.00 C ATOM 881 CD GLN A 341 1.603 7.827 10.096 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.153 8.811 10.645 1.00 0.00 O ATOM 883 NE2 GLN A 341 1.423 6.648 10.623 1.00 0.00 N ATOM 0 H GLN A 341 2.150 6.830 6.409 1.00 0.00 H new ATOM 0 HA GLN A 341 4.634 7.828 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.687 5.821 8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.964 6.632 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.988 8.862 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.698 8.037 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.801 5.820 10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.904 6.553 11.496 1.00 0.00 H new ATOM 892 N TYR A 342 4.609 4.605 6.704 1.00 0.00 N ATOM 893 CA TYR A 342 5.549 3.462 6.514 1.00 0.00 C ATOM 894 C TYR A 342 6.641 3.899 5.531 1.00 0.00 C ATOM 895 O TYR A 342 7.761 3.430 5.580 1.00 0.00 O ATOM 896 CB TYR A 342 4.800 2.241 5.964 1.00 0.00 C ATOM 897 CG TYR A 342 5.790 1.162 5.600 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.326 0.330 6.590 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.161 0.989 4.265 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.239 -0.672 6.242 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.072 -0.014 3.916 1.00 0.00 C ATOM 902 CZ TYR A 342 7.610 -0.846 4.904 1.00 0.00 C ATOM 903 OH TYR A 342 8.507 -1.835 4.558 1.00 0.00 O ATOM 0 H TYR A 342 3.636 4.420 6.459 1.00 0.00 H new ATOM 0 HA TYR A 342 5.993 3.182 7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.097 1.867 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.216 2.524 5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.035 0.461 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.745 1.630 3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.657 -1.311 7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.360 -0.146 2.884 1.00 0.00 H new ATOM 0 HH TYR A 342 8.427 -2.583 5.186 1.00 0.00 H new ATOM 913 N LEU A 343 6.324 4.809 4.644 1.00 0.00 N ATOM 914 CA LEU A 343 7.348 5.296 3.669 1.00 0.00 C ATOM 915 C LEU A 343 8.190 6.392 4.316 1.00 0.00 C ATOM 916 O LEU A 343 9.405 6.379 4.238 1.00 0.00 O ATOM 917 CB LEU A 343 6.673 5.877 2.420 1.00 0.00 C ATOM 918 CG LEU A 343 5.976 4.785 1.596 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.488 5.414 0.298 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.955 3.656 1.248 1.00 0.00 C ATOM 0 H LEU A 343 5.402 5.235 4.553 1.00 0.00 H new ATOM 0 HA LEU A 343 7.975 4.452 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 343 5.944 6.631 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.418 6.380 1.803 1.00 0.00 H new ATOM 0 HG LEU A 343 5.152 4.370 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.988 4.658 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.788 6.219 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.338 5.816 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.439 2.894 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.784 4.059 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.339 3.211 2.166 1.00 0.00 H new ATOM 932 N SER A 344 7.565 7.345 4.950 1.00 0.00 N ATOM 933 CA SER A 344 8.344 8.438 5.594 1.00 0.00 C ATOM 934 C SER A 344 9.461 7.819 6.427 1.00 0.00 C ATOM 935 O SER A 344 10.471 8.440 6.697 1.00 0.00 O ATOM 936 CB SER A 344 7.424 9.260 6.497 1.00 0.00 C ATOM 937 OG SER A 344 6.295 9.689 5.747 1.00 0.00 O ATOM 0 H SER A 344 6.552 7.414 5.050 1.00 0.00 H new ATOM 0 HA SER A 344 8.769 9.090 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 344 7.103 8.662 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 344 7.960 10.122 6.895 1.00 0.00 H new ATOM 0 HG SER A 344 5.701 10.215 6.322 1.00 0.00 H new ATOM 943 N THR A 345 9.282 6.585 6.827 1.00 0.00 N ATOM 944 CA THR A 345 10.320 5.883 7.639 1.00 0.00 C ATOM 945 C THR A 345 11.057 4.858 6.763 1.00 0.00 C ATOM 946 O THR A 345 11.917 4.139 7.233 1.00 0.00 O ATOM 947 CB THR A 345 9.643 5.198 8.836 1.00 0.00 C ATOM 948 OG1 THR A 345 10.634 4.722 9.735 1.00 0.00 O ATOM 949 CG2 THR A 345 8.774 4.031 8.367 1.00 0.00 C ATOM 0 H THR A 345 8.452 6.029 6.623 1.00 0.00 H new ATOM 0 HA THR A 345 11.052 6.600 8.012 1.00 0.00 H new ATOM 0 HB THR A 345 9.008 5.926 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.386 4.352 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.303 3.559 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.004 4.400 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.395 3.301 7.847 1.00 0.00 H new ATOM 957 N ASN A 346 10.741 4.797 5.486 1.00 0.00 N ATOM 958 CA ASN A 346 11.435 3.830 4.572 1.00 0.00 C ATOM 959 C ASN A 346 11.758 4.553 3.260 1.00 0.00 C ATOM 960 O ASN A 346 11.118 4.339 2.249 1.00 0.00 O ATOM 961 CB ASN A 346 10.526 2.624 4.293 1.00 0.00 C ATOM 962 CG ASN A 346 11.145 1.746 3.203 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.279 1.324 3.314 1.00 0.00 O ATOM 964 ND2 ASN A 346 10.441 1.455 2.142 1.00 0.00 N ATOM 0 H ASN A 346 10.031 5.377 5.039 1.00 0.00 H new ATOM 0 HA ASN A 346 12.352 3.470 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.388 2.043 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.539 2.966 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 346 10.843 0.874 1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 346 9.489 1.809 2.049 1.00 0.00 H new ATOM 971 N PRO A 347 12.744 5.418 3.292 1.00 0.00 N ATOM 972 CA PRO A 347 13.173 6.216 2.102 1.00 0.00 C ATOM 973 C PRO A 347 13.419 5.348 0.860 1.00 0.00 C ATOM 974 O PRO A 347 13.201 5.774 -0.255 1.00 0.00 O ATOM 975 CB PRO A 347 14.480 6.885 2.561 1.00 0.00 C ATOM 976 CG PRO A 347 14.379 6.951 4.052 1.00 0.00 C ATOM 977 CD PRO A 347 13.565 5.727 4.477 1.00 0.00 C ATOM 0 HA PRO A 347 12.402 6.924 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.350 6.307 2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.587 7.880 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.368 6.940 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.891 7.873 4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.211 4.891 4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.945 5.942 5.347 1.00 0.00 H new ATOM 985 N ALA A 348 13.880 4.142 1.045 1.00 0.00 N ATOM 986 CA ALA A 348 14.148 3.259 -0.128 1.00 0.00 C ATOM 987 C ALA A 348 12.955 3.301 -1.088 1.00 0.00 C ATOM 988 O ALA A 348 13.101 3.565 -2.268 1.00 0.00 O ATOM 989 CB ALA A 348 14.360 1.822 0.353 1.00 0.00 C ATOM 0 H ALA A 348 14.083 3.729 1.955 1.00 0.00 H new ATOM 0 HA ALA A 348 15.042 3.608 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.556 1.177 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.210 1.788 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.466 1.476 0.871 1.00 0.00 H new ATOM 995 N LEU A 349 11.775 3.052 -0.592 1.00 0.00 N ATOM 996 CA LEU A 349 10.583 3.083 -1.478 1.00 0.00 C ATOM 997 C LEU A 349 10.287 4.538 -1.857 1.00 0.00 C ATOM 998 O LEU A 349 10.093 4.858 -3.010 1.00 0.00 O ATOM 999 CB LEU A 349 9.375 2.480 -0.735 1.00 0.00 C ATOM 1000 CG LEU A 349 9.279 0.965 -0.969 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.129 0.402 -0.127 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.033 0.654 -2.461 1.00 0.00 C ATOM 0 H LEU A 349 11.587 2.829 0.385 1.00 0.00 H new ATOM 0 HA LEU A 349 10.772 2.500 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.464 2.681 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.458 2.962 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 349 10.220 0.501 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.054 -0.674 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.320 0.599 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.194 0.879 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.969 -0.425 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.100 1.118 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.857 1.049 -3.056 1.00 0.00 H new ATOM 1014 N GLN A 350 10.244 5.418 -0.892 1.00 0.00 N ATOM 1015 CA GLN A 350 9.950 6.846 -1.190 1.00 0.00 C ATOM 1016 C GLN A 350 10.755 7.302 -2.417 1.00 0.00 C ATOM 1017 O GLN A 350 10.365 8.213 -3.121 1.00 0.00 O ATOM 1018 CB GLN A 350 10.301 7.699 0.047 1.00 0.00 C ATOM 1019 CG GLN A 350 9.246 8.789 0.252 1.00 0.00 C ATOM 1020 CD GLN A 350 9.765 9.831 1.245 1.00 0.00 C ATOM 1021 OE1 GLN A 350 10.326 10.833 0.852 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.597 9.635 2.524 1.00 0.00 N ATOM 0 H GLN A 350 10.401 5.206 0.093 1.00 0.00 H new ATOM 0 HA GLN A 350 8.891 6.969 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.356 7.065 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 350 11.284 8.153 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 350 9.012 9.265 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 350 8.321 8.348 0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 350 9.125 8.793 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 350 9.937 10.324 3.195 1.00 0.00 H new ATOM 1031 N ARG A 351 11.861 6.663 -2.693 1.00 0.00 N ATOM 1032 CA ARG A 351 12.656 7.046 -3.880 1.00 0.00 C ATOM 1033 C ARG A 351 11.977 6.444 -5.113 1.00 0.00 C ATOM 1034 O ARG A 351 11.747 7.114 -6.100 1.00 0.00 O ATOM 1035 CB ARG A 351 14.081 6.499 -3.727 1.00 0.00 C ATOM 1036 CG ARG A 351 14.810 6.583 -5.070 1.00 0.00 C ATOM 1037 CD ARG A 351 16.324 6.443 -4.867 1.00 0.00 C ATOM 1038 NE ARG A 351 17.026 6.837 -6.120 1.00 0.00 N ATOM 1039 CZ ARG A 351 18.312 7.062 -6.107 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.992 6.902 -5.005 1.00 0.00 N ATOM 1041 NH2 ARG A 351 18.916 7.441 -7.199 1.00 0.00 N ATOM 0 H ARG A 351 12.243 5.893 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 351 12.712 8.130 -3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.621 7.070 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.050 5.465 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.452 5.797 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.588 7.535 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.651 7.072 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.574 5.415 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 351 16.501 6.931 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.519 6.601 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.997 7.078 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 351 18.384 7.561 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 351 19.921 7.617 -7.191 1.00 0.00 H new ATOM 1055 N ILE A 352 11.637 5.184 -5.051 1.00 0.00 N ATOM 1056 CA ILE A 352 10.952 4.542 -6.210 1.00 0.00 C ATOM 1057 C ILE A 352 9.469 4.912 -6.166 1.00 0.00 C ATOM 1058 O ILE A 352 8.938 5.510 -7.081 1.00 0.00 O ATOM 1059 CB ILE A 352 11.120 3.023 -6.125 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.612 2.676 -6.050 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.512 2.374 -7.369 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.785 1.218 -5.618 1.00 0.00 C ATOM 0 H ILE A 352 11.803 4.574 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 352 11.388 4.890 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 352 10.614 2.652 -5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.081 2.835 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.113 3.336 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.631 1.292 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.452 2.620 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.019 2.747 -8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.847 0.977 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.332 1.073 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.299 0.564 -6.342 1.00 0.00 H new ATOM 1074 N ILE A 353 8.805 4.576 -5.100 1.00 0.00 N ATOM 1075 CA ILE A 353 7.363 4.917 -4.972 1.00 0.00 C ATOM 1076 C ILE A 353 7.227 6.434 -4.780 1.00 0.00 C ATOM 1077 O ILE A 353 6.179 7.007 -5.010 1.00 0.00 O ATOM 1078 CB ILE A 353 6.790 4.155 -3.760 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.411 2.733 -4.201 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.552 4.871 -3.197 1.00 0.00 C ATOM 1081 CD1 ILE A 353 5.992 1.875 -2.998 1.00 0.00 C ATOM 0 H ILE A 353 9.202 4.076 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 353 6.811 4.630 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 353 7.546 4.117 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 353 5.595 2.778 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.257 2.268 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.166 4.314 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.826 5.877 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 353 4.784 4.930 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.729 0.874 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.819 1.812 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.130 2.330 -2.509 1.00 0.00 H new TER 1093 ILE A 353