USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 301 HIS : no HD1:sc= 0.247 K(o=1,f=-10!) USER MOD Set 1.2: B 211 TYR OH : rot 30:sc= 0.766 USER MOD Set 2.1: A 291 THR OG1 : rot 180:sc= 0.0594 USER MOD Set 2.2: A 293 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 290 SER OG : rot 12:sc= 1.01 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 1.09 K(o=1.1,f=-0.18) USER MOD Single : A 303 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 305 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 306 THR OG1 : rot -139:sc= 0.327 USER MOD Single : A 307 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.97) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HD1:sc=-0.00614 X(o=-0.0061,f=0) USER MOD Single : B 206 SER OG : rot 180:sc= 0.00516 USER MOD Single : B 212 SER OG : rot -170:sc= -0.164 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -161:sc= -0.0868 (180deg=-0.537) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 11.920 11.026 -5.079 1.00 15.00 N ATOM 2 CA GLY A 280 12.679 10.384 -3.982 1.00 15.00 C ATOM 3 C GLY A 280 13.003 8.937 -4.291 1.00 15.00 C ATOM 4 O GLY A 280 12.969 8.529 -5.452 1.00 15.00 O ATOM 0 HA2 GLY A 280 13.604 10.934 -3.810 1.00 15.00 H new ATOM 0 HA3 GLY A 280 12.100 10.438 -3.060 1.00 15.00 H new ATOM 10 N PRO A 281 13.319 8.129 -3.268 1.00 15.00 N ATOM 11 CA PRO A 281 13.629 6.709 -3.432 1.00 15.00 C ATOM 12 C PRO A 281 12.368 5.848 -3.522 1.00 15.00 C ATOM 13 O PRO A 281 12.443 4.628 -3.673 1.00 15.00 O ATOM 14 CB PRO A 281 14.426 6.359 -2.164 1.00 15.00 C ATOM 15 CG PRO A 281 14.505 7.619 -1.353 1.00 15.00 C ATOM 16 CD PRO A 281 13.424 8.529 -1.863 1.00 15.00 C ATOM 0 HA PRO A 281 14.175 6.519 -4.356 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.933 5.566 -1.602 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.422 5.998 -2.419 1.00 15.00 H new ATOM 0 HG2 PRO A 281 14.364 7.407 -0.293 1.00 15.00 H new ATOM 0 HG3 PRO A 281 15.485 8.085 -1.457 1.00 15.00 H new ATOM 0 HD2 PRO A 281 12.485 8.386 -1.328 1.00 15.00 H new ATOM 0 HD3 PRO A 281 13.694 9.580 -1.758 1.00 15.00 H new ATOM 24 N LEU A 282 11.216 6.493 -3.418 1.00 15.00 N ATOM 25 CA LEU A 282 9.939 5.800 -3.456 1.00 15.00 C ATOM 26 C LEU A 282 9.276 6.022 -4.816 1.00 15.00 C ATOM 27 O LEU A 282 9.001 7.163 -5.197 1.00 15.00 O ATOM 28 CB LEU A 282 9.050 6.314 -2.311 1.00 15.00 C ATOM 29 CG LEU A 282 7.880 5.410 -1.899 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.365 5.815 -0.528 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.750 5.479 -2.910 1.00 15.00 C ATOM 0 H LEU A 282 11.141 7.504 -3.306 1.00 15.00 H new ATOM 0 HA LEU A 282 10.088 4.728 -3.323 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.680 6.478 -1.437 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.647 7.285 -2.600 1.00 15.00 H new ATOM 0 HG LEU A 282 8.246 4.384 -1.862 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.535 5.167 -0.245 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.166 5.719 0.205 1.00 15.00 H new ATOM 0 HD13 LEU A 282 7.024 6.850 -0.559 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.936 4.828 -2.591 1.00 15.00 H new ATOM 0 HD22 LEU A 282 6.388 6.505 -2.982 1.00 15.00 H new ATOM 0 HD23 LEU A 282 7.114 5.154 -3.885 1.00 15.00 H new ATOM 43 N PRO A 283 9.036 4.936 -5.569 1.00 15.00 N ATOM 44 CA PRO A 283 8.416 5.002 -6.903 1.00 15.00 C ATOM 45 C PRO A 283 7.074 5.740 -6.890 1.00 15.00 C ATOM 46 O PRO A 283 6.212 5.439 -6.066 1.00 15.00 O ATOM 47 CB PRO A 283 8.204 3.529 -7.264 1.00 15.00 C ATOM 48 CG PRO A 283 9.218 2.792 -6.465 1.00 15.00 C ATOM 49 CD PRO A 283 9.349 3.549 -5.177 1.00 15.00 C ATOM 0 HA PRO A 283 9.036 5.550 -7.612 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.193 3.203 -7.018 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.342 3.360 -8.332 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.903 1.764 -6.285 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.172 2.745 -6.990 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.658 3.179 -4.420 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.353 3.465 -4.761 1.00 15.00 H new ATOM 57 N PRO A 284 6.876 6.717 -7.804 1.00 15.00 N ATOM 58 CA PRO A 284 5.622 7.484 -7.890 1.00 15.00 C ATOM 59 C PRO A 284 4.396 6.613 -8.166 1.00 15.00 C ATOM 60 O PRO A 284 3.261 7.064 -8.011 1.00 15.00 O ATOM 61 CB PRO A 284 5.853 8.445 -9.061 1.00 15.00 C ATOM 62 CG PRO A 284 7.329 8.515 -9.226 1.00 15.00 C ATOM 63 CD PRO A 284 7.864 7.176 -8.799 1.00 15.00 C ATOM 0 HA PRO A 284 5.408 7.979 -6.943 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.373 8.081 -9.969 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.434 9.429 -8.851 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.595 8.728 -10.261 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.751 9.315 -8.617 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.939 6.486 -9.640 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.861 7.261 -8.367 1.00 15.00 H new ATOM 71 N GLY A 285 4.622 5.383 -8.611 1.00 15.00 N ATOM 72 CA GLY A 285 3.522 4.466 -8.840 1.00 15.00 C ATOM 73 C GLY A 285 3.057 3.818 -7.553 1.00 15.00 C ATOM 74 O GLY A 285 1.961 3.256 -7.488 1.00 15.00 O ATOM 0 H GLY A 285 5.546 5.004 -8.817 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.691 5.002 -9.299 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.832 3.694 -9.545 1.00 15.00 H new ATOM 78 N TRP A 286 3.896 3.903 -6.529 1.00 15.00 N ATOM 79 CA TRP A 286 3.586 3.344 -5.224 1.00 15.00 C ATOM 80 C TRP A 286 2.875 4.372 -4.361 1.00 15.00 C ATOM 81 O TRP A 286 3.481 5.349 -3.918 1.00 15.00 O ATOM 82 CB TRP A 286 4.868 2.846 -4.535 1.00 15.00 C ATOM 83 CG TRP A 286 5.241 1.467 -4.970 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.559 1.065 -6.235 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.293 0.297 -4.149 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.783 -0.286 -6.257 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.623 -0.784 -4.993 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.088 0.046 -2.784 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.737 -2.088 -4.525 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.199 -1.250 -2.331 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.511 -2.304 -3.195 1.00 15.00 C ATOM 0 H TRP A 286 4.806 4.360 -6.581 1.00 15.00 H new ATOM 0 HA TRP A 286 2.919 2.493 -5.360 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.687 3.530 -4.757 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.726 2.859 -3.454 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.624 1.717 -7.093 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.029 -0.832 -7.082 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.849 0.850 -2.104 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.995 -2.900 -5.188 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.041 -1.457 -1.283 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.575 -3.309 -2.803 1.00 15.00 H new ATOM 102 N GLU A 287 1.581 4.173 -4.145 1.00 15.00 N ATOM 103 CA GLU A 287 0.819 5.086 -3.322 1.00 15.00 C ATOM 104 C GLU A 287 0.805 4.566 -1.887 1.00 15.00 C ATOM 105 O GLU A 287 0.141 3.573 -1.577 1.00 15.00 O ATOM 106 CB GLU A 287 -0.590 5.230 -3.899 1.00 15.00 C ATOM 107 CG GLU A 287 -1.492 6.183 -3.136 1.00 15.00 C ATOM 108 CD GLU A 287 -1.015 7.615 -3.212 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.377 8.319 -4.176 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.280 8.042 -2.306 1.00 15.00 O1- ATOM 0 H GLU A 287 1.046 3.393 -4.527 1.00 15.00 H new ATOM 0 HA GLU A 287 1.274 6.076 -3.315 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.512 5.572 -4.931 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.060 4.247 -3.924 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.504 6.119 -3.535 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.541 5.874 -2.092 1.00 15.00 H new ATOM 117 N VAL A 288 1.588 5.210 -1.029 1.00 15.00 N ATOM 118 CA VAL A 288 1.793 4.736 0.332 1.00 15.00 C ATOM 119 C VAL A 288 0.840 5.428 1.306 1.00 15.00 C ATOM 120 O VAL A 288 0.843 6.651 1.442 1.00 15.00 O ATOM 121 CB VAL A 288 3.268 4.927 0.776 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.697 6.388 0.708 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.496 4.363 2.171 1.00 15.00 C ATOM 0 H VAL A 288 2.093 6.067 -1.255 1.00 15.00 H new ATOM 0 HA VAL A 288 1.573 3.669 0.346 1.00 15.00 H new ATOM 0 HB VAL A 288 3.889 4.370 0.074 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.735 6.478 1.027 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.600 6.749 -0.316 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.063 6.984 1.364 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.537 4.510 2.457 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.848 4.877 2.881 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.266 3.298 2.175 1.00 15.00 H new ATOM 133 N ARG A 289 0.010 4.633 1.970 1.00 15.00 N ATOM 134 CA ARG A 289 -1.007 5.157 2.871 1.00 15.00 C ATOM 135 C ARG A 289 -0.984 4.395 4.195 1.00 15.00 C ATOM 136 O ARG A 289 -0.679 3.202 4.222 1.00 15.00 O ATOM 137 CB ARG A 289 -2.378 5.063 2.187 1.00 15.00 C ATOM 138 CG ARG A 289 -2.501 5.984 0.980 1.00 15.00 C ATOM 139 CD ARG A 289 -2.270 7.438 1.372 1.00 15.00 C ATOM 140 NE ARG A 289 -1.630 8.205 0.304 1.00 15.00 N ATOM 141 CZ ARG A 289 -0.993 9.362 0.493 1.00 15.00 C ATOM 142 NH1 ARG A 289 -0.990 9.940 1.688 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -0.363 9.938 -0.522 1.00 15.00 N ATOM 0 H ARG A 289 0.023 3.615 1.900 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.802 6.204 3.096 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.552 4.034 1.872 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.156 5.311 2.908 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.778 5.690 0.220 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.491 5.877 0.537 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.224 7.900 1.626 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.649 7.477 2.267 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.673 7.832 -0.644 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -1.477 9.500 2.469 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -0.501 10.825 1.825 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -0.367 9.496 -1.441 1.00 15.00 H new ATOM 0 HH22 ARG A 289 0.126 10.823 -0.383 1.00 15.00 H new ATOM 157 N SER A 290 -1.305 5.079 5.288 1.00 15.00 N ATOM 158 CA SER A 290 -1.212 4.483 6.615 1.00 15.00 C ATOM 159 C SER A 290 -2.565 4.452 7.328 1.00 15.00 C ATOM 160 O SER A 290 -3.260 5.462 7.425 1.00 15.00 O ATOM 161 CB SER A 290 -0.187 5.251 7.460 1.00 15.00 C ATOM 162 OG SER A 290 -0.334 6.659 7.317 1.00 15.00 O ATOM 0 H SER A 290 -1.631 6.045 5.281 1.00 15.00 H new ATOM 0 HA SER A 290 -0.886 3.450 6.491 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.303 4.978 8.509 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.820 4.959 7.164 1.00 15.00 H new ATOM 0 HG SER A 290 -1.174 6.855 6.852 1.00 15.00 H new ATOM 168 N THR A 291 -2.926 3.283 7.839 1.00 15.00 N ATOM 169 CA THR A 291 -4.125 3.141 8.648 1.00 15.00 C ATOM 170 C THR A 291 -3.800 3.353 10.129 1.00 15.00 C ATOM 171 O THR A 291 -2.723 2.969 10.595 1.00 15.00 O ATOM 172 CB THR A 291 -4.779 1.757 8.451 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.770 0.763 8.216 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.766 1.778 7.292 1.00 15.00 C ATOM 0 H THR A 291 -2.403 2.418 7.706 1.00 15.00 H new ATOM 0 HA THR A 291 -4.833 3.903 8.321 1.00 15.00 H new ATOM 0 HB THR A 291 -5.325 1.508 9.361 1.00 15.00 H new ATOM 0 HG1 THR A 291 -4.195 -0.112 8.094 1.00 15.00 H new ATOM 0 HG21 THR A 291 -6.212 0.790 7.176 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.550 2.508 7.495 1.00 15.00 H new ATOM 0 HG23 THR A 291 -5.244 2.051 6.375 1.00 15.00 H new ATOM 182 N VAL A 292 -4.743 3.952 10.861 1.00 15.00 N ATOM 183 CA VAL A 292 -4.554 4.294 12.280 1.00 15.00 C ATOM 184 C VAL A 292 -4.320 3.060 13.153 1.00 15.00 C ATOM 185 O VAL A 292 -3.891 3.173 14.300 1.00 15.00 O ATOM 186 CB VAL A 292 -5.759 5.082 12.838 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.901 6.418 12.123 1.00 15.00 C ATOM 188 CG2 VAL A 292 -7.041 4.269 12.721 1.00 15.00 C ATOM 0 H VAL A 292 -5.657 4.214 10.492 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.661 4.918 12.318 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.579 5.276 13.895 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.755 6.959 12.530 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.995 7.007 12.269 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -6.054 6.246 11.058 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.875 4.846 13.121 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -7.230 4.036 11.673 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.937 3.342 13.285 1.00 15.00 H new ATOM 198 N SER A 293 -4.618 1.890 12.605 1.00 15.00 N ATOM 199 CA SER A 293 -4.429 0.619 13.292 1.00 15.00 C ATOM 200 C SER A 293 -2.957 0.357 13.636 1.00 15.00 C ATOM 201 O SER A 293 -2.642 -0.541 14.418 1.00 15.00 O ATOM 202 CB SER A 293 -4.985 -0.514 12.429 1.00 15.00 C ATOM 203 OG SER A 293 -4.580 -0.364 11.077 1.00 15.00 O ATOM 0 H SER A 293 -5.001 1.795 11.664 1.00 15.00 H new ATOM 0 HA SER A 293 -4.971 0.665 14.236 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.638 -1.473 12.813 1.00 15.00 H new ATOM 0 HB3 SER A 293 -6.073 -0.522 12.488 1.00 15.00 H new ATOM 0 HG SER A 293 -4.945 -1.100 10.543 1.00 15.00 H new ATOM 209 N GLY A 294 -2.064 1.122 13.020 1.00 15.00 N ATOM 210 CA GLY A 294 -0.647 0.860 13.144 1.00 15.00 C ATOM 211 C GLY A 294 -0.188 -0.072 12.052 1.00 15.00 C ATOM 212 O GLY A 294 0.497 -1.068 12.296 1.00 15.00 O ATOM 0 H GLY A 294 -2.300 1.923 12.434 1.00 15.00 H new ATOM 0 HA2 GLY A 294 -0.091 1.796 13.089 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.436 0.420 14.119 1.00 15.00 H new ATOM 216 N ARG A 295 -0.589 0.262 10.837 1.00 15.00 N ATOM 217 CA ARG A 295 -0.303 -0.546 9.668 1.00 15.00 C ATOM 218 C ARG A 295 -0.085 0.343 8.454 1.00 15.00 C ATOM 219 O ARG A 295 -0.907 1.216 8.161 1.00 15.00 O ATOM 220 CB ARG A 295 -1.467 -1.500 9.384 1.00 15.00 C ATOM 221 CG ARG A 295 -1.488 -2.754 10.240 1.00 15.00 C ATOM 222 CD ARG A 295 -0.489 -3.791 9.743 1.00 15.00 C ATOM 223 NE ARG A 295 -0.558 -5.025 10.522 1.00 15.00 N ATOM 224 CZ ARG A 295 0.162 -6.115 10.267 1.00 15.00 C ATOM 225 NH1 ARG A 295 1.076 -6.112 9.300 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -0.036 -7.212 10.985 1.00 15.00 N ATOM 0 H ARG A 295 -1.125 1.106 10.635 1.00 15.00 H new ATOM 0 HA ARG A 295 0.601 -1.123 9.865 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -2.403 -0.962 9.531 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.429 -1.794 8.335 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -1.259 -2.493 11.273 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.490 -3.182 10.234 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.685 -4.012 8.694 1.00 15.00 H new ATOM 0 HD3 ARG A 295 0.519 -3.381 9.799 1.00 15.00 H new ATOM 0 HE ARG A 295 -1.200 -5.053 11.314 1.00 15.00 H new ATOM 0 HH11 ARG A 295 1.230 -5.269 8.746 1.00 15.00 H new ATOM 0 HH12 ARG A 295 1.623 -6.952 9.112 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -0.736 -7.217 11.727 1.00 15.00 H new ATOM 0 HH22 ARG A 295 0.512 -8.051 10.796 1.00 15.00 H new ATOM 240 N ILE A 296 1.007 0.113 7.746 1.00 15.00 N ATOM 241 CA ILE A 296 1.221 0.750 6.460 1.00 15.00 C ATOM 242 C ILE A 296 0.618 -0.158 5.400 1.00 15.00 C ATOM 243 O ILE A 296 0.607 -1.378 5.572 1.00 15.00 O ATOM 244 CB ILE A 296 2.730 0.991 6.178 1.00 15.00 C ATOM 245 CG1 ILE A 296 2.924 1.944 4.995 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.459 -0.320 5.917 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.427 3.344 5.267 1.00 15.00 C ATOM 0 H ILE A 296 1.759 -0.510 8.041 1.00 15.00 H new ATOM 0 HA ILE A 296 0.746 1.731 6.451 1.00 15.00 H new ATOM 0 HB ILE A 296 3.157 1.451 7.069 1.00 15.00 H new ATOM 0 HG12 ILE A 296 3.983 1.985 4.741 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.403 1.543 4.126 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.512 -0.118 5.723 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.368 -0.967 6.790 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.019 -0.815 5.051 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.595 3.967 4.388 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.361 3.314 5.492 1.00 15.00 H new ATOM 0 HD13 ILE A 296 2.966 3.763 6.117 1.00 15.00 H new ATOM 259 N TYR A 297 0.100 0.404 4.327 1.00 15.00 N ATOM 260 CA TYR A 297 -0.648 -0.403 3.383 1.00 15.00 C ATOM 261 C TYR A 297 -0.513 0.167 1.999 1.00 15.00 C ATOM 262 O TYR A 297 -0.624 1.378 1.786 1.00 15.00 O ATOM 263 CB TYR A 297 -2.127 -0.553 3.789 1.00 15.00 C ATOM 264 CG TYR A 297 -3.037 0.627 3.501 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.708 0.735 2.284 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.259 1.609 4.457 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.564 1.790 2.031 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.119 2.664 4.210 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.767 2.751 2.996 1.00 15.00 C ATOM 270 OH TYR A 297 -5.618 3.807 2.745 1.00 15.00 O ATOM 0 H TYR A 297 0.179 1.393 4.089 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.224 -1.407 3.391 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.532 -1.427 3.280 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -2.167 -0.760 4.858 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.556 -0.019 1.526 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.752 1.548 5.409 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -5.072 1.860 1.080 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.282 3.418 4.966 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.650 4.394 3.529 1.00 15.00 H new ATOM 280 N PHE A 298 -0.252 -0.709 1.064 1.00 15.00 N ATOM 281 CA PHE A 298 -0.017 -0.304 -0.281 1.00 15.00 C ATOM 282 C PHE A 298 -1.175 -0.478 -1.201 1.00 15.00 C ATOM 283 O PHE A 298 -1.888 -1.479 -1.170 1.00 15.00 O ATOM 284 CB PHE A 298 1.182 -1.013 -0.830 1.00 15.00 C ATOM 285 CG PHE A 298 2.383 -0.217 -0.563 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.478 1.034 -1.136 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.400 -0.685 0.237 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.573 1.811 -0.927 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.515 0.088 0.443 1.00 15.00 C ATOM 290 CZ PHE A 298 4.593 1.336 -0.145 1.00 15.00 C ATOM 0 H PHE A 298 -0.198 -1.716 1.220 1.00 15.00 H new ATOM 0 HA PHE A 298 0.157 0.771 -0.232 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.276 -1.998 -0.373 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.067 -1.169 -1.903 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.674 1.400 -1.757 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.321 -1.657 0.701 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.639 2.793 -1.373 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.324 -0.276 1.059 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.470 1.946 0.014 1.00 15.00 H new ATOM 300 N VAL A 299 -1.297 0.516 -2.052 1.00 15.00 N ATOM 301 CA VAL A 299 -2.215 0.497 -3.151 1.00 15.00 C ATOM 302 C VAL A 299 -1.462 1.012 -4.385 1.00 15.00 C ATOM 303 O VAL A 299 -1.109 2.196 -4.500 1.00 15.00 O ATOM 304 CB VAL A 299 -3.525 1.289 -2.845 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.251 0.666 -1.655 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.258 2.757 -2.556 1.00 15.00 C ATOM 0 H VAL A 299 -0.747 1.373 -1.992 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.562 -0.519 -3.340 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.148 1.231 -3.738 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.163 1.227 -1.451 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.505 -0.369 -1.885 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.604 0.695 -0.778 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.200 3.264 -2.349 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.602 2.844 -1.690 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.780 3.217 -3.421 1.00 15.00 H new ATOM 316 N ASP A 300 -1.101 0.072 -5.240 1.00 15.00 N ATOM 317 CA ASP A 300 -0.311 0.365 -6.430 1.00 15.00 C ATOM 318 C ASP A 300 -1.206 0.478 -7.653 1.00 15.00 C ATOM 319 O ASP A 300 -2.085 -0.358 -7.862 1.00 15.00 O ATOM 320 CB ASP A 300 0.760 -0.717 -6.638 1.00 15.00 C ATOM 321 CG ASP A 300 1.040 -0.982 -8.104 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.717 -0.154 -8.744 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.555 -2.005 -8.630 1.00 15.00 O ATOM 0 H ASP A 300 -1.344 -0.913 -5.133 1.00 15.00 H new ATOM 0 HA ASP A 300 0.189 1.323 -6.287 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.682 -0.410 -6.145 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.435 -1.642 -6.160 1.00 15.00 H new ATOM 328 N HIS A 301 -0.949 1.504 -8.465 1.00 15.00 N ATOM 329 CA HIS A 301 -1.775 1.801 -9.635 1.00 15.00 C ATOM 330 C HIS A 301 -1.439 0.914 -10.831 1.00 15.00 C ATOM 331 O HIS A 301 -2.237 0.803 -11.763 1.00 15.00 O ATOM 332 CB HIS A 301 -1.610 3.261 -10.069 1.00 15.00 C ATOM 333 CG HIS A 301 -2.335 4.262 -9.223 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.705 4.288 -9.098 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.875 5.325 -8.522 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.058 5.327 -8.366 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.966 5.970 -8.001 1.00 15.00 N ATOM 0 H HIS A 301 -0.169 2.148 -8.332 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.803 1.607 -9.328 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.548 3.507 -10.065 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.957 3.359 -11.098 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.841 5.611 -8.397 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.070 5.604 -8.109 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.938 6.811 -7.424 1.00 15.00 H new ATOM 346 N ASN A 302 -0.257 0.312 -10.823 1.00 15.00 N ATOM 347 CA ASN A 302 0.216 -0.448 -11.977 1.00 15.00 C ATOM 348 C ASN A 302 -0.509 -1.781 -12.082 1.00 15.00 C ATOM 349 O ASN A 302 -1.260 -2.023 -13.029 1.00 15.00 O ATOM 350 CB ASN A 302 1.729 -0.682 -11.897 1.00 15.00 C ATOM 351 CG ASN A 302 2.524 0.608 -11.943 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.873 1.102 -13.017 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.826 1.159 -10.780 1.00 15.00 N ATOM 0 H ASN A 302 0.391 0.334 -10.035 1.00 15.00 H new ATOM 0 HA ASN A 302 0.001 0.139 -12.870 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.962 -1.215 -10.975 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.037 -1.324 -12.722 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.366 2.024 -10.750 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.519 0.720 -9.912 1.00 15.00 H new ATOM 360 N ASN A 303 -0.284 -2.636 -11.101 1.00 15.00 N ATOM 361 CA ASN A 303 -0.919 -3.945 -11.059 1.00 15.00 C ATOM 362 C ASN A 303 -2.245 -3.872 -10.318 1.00 15.00 C ATOM 363 O ASN A 303 -3.041 -4.812 -10.364 1.00 15.00 O ATOM 364 CB ASN A 303 -0.002 -4.976 -10.398 1.00 15.00 C ATOM 365 CG ASN A 303 1.275 -5.212 -11.180 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.303 -5.104 -12.408 1.00 15.00 O ATOM 367 ND2 ASN A 303 2.344 -5.540 -10.472 1.00 15.00 N ATOM 0 H ASN A 303 0.339 -2.447 -10.316 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.108 -4.260 -12.085 1.00 15.00 H new ATOM 0 HB2 ASN A 303 0.250 -4.640 -9.392 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.539 -5.919 -10.294 1.00 15.00 H new ATOM 0 HD21 ASN A 303 3.233 -5.714 -10.941 1.00 15.00 H new ATOM 0 HD22 ASN A 303 2.279 -5.619 -9.457 1.00 15.00 H new ATOM 374 N ARG A 304 -2.445 -2.764 -9.598 1.00 15.00 N ATOM 375 CA ARG A 304 -3.650 -2.542 -8.802 1.00 15.00 C ATOM 376 C ARG A 304 -3.673 -3.533 -7.653 1.00 15.00 C ATOM 377 O ARG A 304 -4.596 -4.337 -7.511 1.00 15.00 O ATOM 378 CB ARG A 304 -4.911 -2.646 -9.667 1.00 15.00 C ATOM 379 CG ARG A 304 -4.831 -1.799 -10.927 1.00 15.00 C ATOM 380 CD ARG A 304 -5.992 -2.058 -11.871 1.00 15.00 C ATOM 381 NE ARG A 304 -5.781 -1.415 -13.167 1.00 15.00 N ATOM 382 CZ ARG A 304 -5.975 -2.019 -14.338 1.00 15.00 C ATOM 383 NH1 ARG A 304 -6.467 -3.254 -14.381 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -5.680 -1.386 -15.468 1.00 15.00 N ATOM 0 H ARG A 304 -1.774 -1.997 -9.552 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.635 -1.531 -8.394 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.071 -3.688 -9.944 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.776 -2.336 -9.080 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.817 -0.744 -10.653 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -3.893 -2.007 -11.443 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.115 -3.132 -12.012 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.915 -1.687 -11.425 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.466 -0.445 -13.175 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -6.697 -3.742 -13.515 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -6.614 -3.713 -15.280 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -5.305 -0.438 -15.439 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -5.828 -1.848 -16.365 1.00 15.00 H new ATOM 398 N THR A 305 -2.634 -3.460 -6.833 1.00 15.00 N ATOM 399 CA THR A 305 -2.394 -4.476 -5.816 1.00 15.00 C ATOM 400 C THR A 305 -2.293 -3.869 -4.419 1.00 15.00 C ATOM 401 O THR A 305 -1.778 -2.761 -4.249 1.00 15.00 O ATOM 402 CB THR A 305 -1.094 -5.249 -6.119 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.056 -5.610 -7.503 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.989 -6.508 -5.272 1.00 15.00 C ATOM 0 H THR A 305 -1.944 -2.709 -6.851 1.00 15.00 H new ATOM 0 HA THR A 305 -3.246 -5.155 -5.840 1.00 15.00 H new ATOM 0 HB THR A 305 -0.254 -4.598 -5.878 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.228 -6.099 -7.691 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.062 -7.030 -5.509 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.993 -6.238 -4.216 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.837 -7.160 -5.483 1.00 15.00 H new ATOM 412 N THR A 306 -2.802 -4.599 -3.433 1.00 15.00 N ATOM 413 CA THR A 306 -2.674 -4.212 -2.037 1.00 15.00 C ATOM 414 C THR A 306 -1.618 -5.069 -1.333 1.00 15.00 C ATOM 415 O THR A 306 -1.659 -6.299 -1.398 1.00 15.00 O ATOM 416 CB THR A 306 -4.018 -4.353 -1.295 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.014 -3.531 -1.917 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.876 -3.965 0.170 1.00 15.00 C ATOM 0 H THR A 306 -3.312 -5.470 -3.579 1.00 15.00 H new ATOM 0 HA THR A 306 -2.366 -3.167 -2.015 1.00 15.00 H new ATOM 0 HB THR A 306 -4.325 -5.398 -1.349 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.554 -3.093 -1.227 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.838 -4.074 0.670 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.143 -4.614 0.649 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.545 -2.929 0.242 1.00 15.00 H new ATOM 426 N GLN A 307 -0.675 -4.414 -0.668 1.00 15.00 N ATOM 427 CA GLN A 307 0.363 -5.104 0.094 1.00 15.00 C ATOM 428 C GLN A 307 0.432 -4.562 1.516 1.00 15.00 C ATOM 429 O GLN A 307 0.371 -3.353 1.726 1.00 15.00 O ATOM 430 CB GLN A 307 1.730 -4.943 -0.578 1.00 15.00 C ATOM 431 CG GLN A 307 1.952 -5.862 -1.768 1.00 15.00 C ATOM 432 CD GLN A 307 1.804 -7.330 -1.409 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.020 -7.732 -0.263 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.467 -8.147 -2.392 1.00 15.00 N ATOM 0 H GLN A 307 -0.606 -3.397 -0.640 1.00 15.00 H new ATOM 0 HA GLN A 307 0.105 -6.163 0.124 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.842 -3.909 -0.906 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.510 -5.129 0.161 1.00 15.00 H new ATOM 0 HG2 GLN A 307 1.240 -5.611 -2.554 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.949 -5.690 -2.174 1.00 15.00 H new ATOM 0 HE21 GLN A 307 1.296 -7.777 -3.327 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.378 -9.148 -2.216 1.00 15.00 H new ATOM 443 N PHE A 308 0.574 -5.450 2.491 1.00 15.00 N ATOM 444 CA PHE A 308 0.697 -5.027 3.882 1.00 15.00 C ATOM 445 C PHE A 308 2.161 -4.972 4.308 1.00 15.00 C ATOM 446 O PHE A 308 2.486 -4.481 5.391 1.00 15.00 O ATOM 447 CB PHE A 308 -0.082 -5.963 4.812 1.00 15.00 C ATOM 448 CG PHE A 308 -1.208 -5.283 5.542 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.253 -3.904 5.642 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.214 -6.023 6.135 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.282 -3.277 6.316 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.246 -5.399 6.808 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.281 -4.027 6.898 1.00 15.00 C ATOM 0 H PHE A 308 0.607 -6.459 2.348 1.00 15.00 H new ATOM 0 HA PHE A 308 0.272 -4.026 3.960 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.485 -6.790 4.227 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.605 -6.393 5.540 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.474 -3.311 5.187 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.193 -7.101 6.071 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.304 -2.200 6.387 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.027 -5.989 7.264 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.089 -3.539 7.423 1.00 15.00 H new ATOM 463 N THR A 309 3.036 -5.491 3.464 1.00 15.00 N ATOM 464 CA THR A 309 4.459 -5.490 3.748 1.00 15.00 C ATOM 465 C THR A 309 5.182 -4.501 2.836 1.00 15.00 C ATOM 466 O THR A 309 5.009 -4.529 1.615 1.00 15.00 O ATOM 467 CB THR A 309 5.064 -6.899 3.575 1.00 15.00 C ATOM 468 OG1 THR A 309 4.313 -7.848 4.349 1.00 15.00 O ATOM 469 CG2 THR A 309 6.523 -6.930 4.011 1.00 15.00 C ATOM 0 H THR A 309 2.784 -5.920 2.574 1.00 15.00 H new ATOM 0 HA THR A 309 4.591 -5.185 4.786 1.00 15.00 H new ATOM 0 HB THR A 309 5.015 -7.161 2.518 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.699 -8.742 4.235 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.921 -7.936 3.877 1.00 15.00 H new ATOM 0 HG22 THR A 309 7.098 -6.229 3.407 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.595 -6.648 5.061 1.00 15.00 H new ATOM 477 N ASP A 310 5.973 -3.621 3.433 1.00 15.00 N ATOM 478 CA ASP A 310 6.725 -2.626 2.676 1.00 15.00 C ATOM 479 C ASP A 310 8.033 -3.235 2.166 1.00 15.00 C ATOM 480 O ASP A 310 8.768 -3.874 2.926 1.00 15.00 O ATOM 481 CB ASP A 310 7.015 -1.405 3.559 1.00 15.00 C ATOM 482 CG ASP A 310 7.611 -0.238 2.790 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.675 -0.413 2.161 1.00 15.00 O ATOM 484 OD2 ASP A 310 7.035 0.867 2.837 1.00 15.00 O1- ATOM 0 H ASP A 310 6.112 -3.575 4.442 1.00 15.00 H new ATOM 0 HA ASP A 310 6.131 -2.306 1.820 1.00 15.00 H new ATOM 0 HB2 ASP A 310 6.090 -1.082 4.037 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.701 -1.695 4.355 1.00 15.00 H new ATOM 489 N PRO A 311 8.342 -3.033 0.874 1.00 15.00 N ATOM 490 CA PRO A 311 9.536 -3.596 0.226 1.00 15.00 C ATOM 491 C PRO A 311 10.854 -3.104 0.826 1.00 15.00 C ATOM 492 O PRO A 311 11.910 -3.678 0.557 1.00 15.00 O ATOM 493 CB PRO A 311 9.415 -3.134 -1.230 1.00 15.00 C ATOM 494 CG PRO A 311 8.514 -1.952 -1.179 1.00 15.00 C ATOM 495 CD PRO A 311 7.544 -2.233 -0.069 1.00 15.00 C ATOM 0 HA PRO A 311 9.567 -4.678 0.352 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.389 -2.872 -1.644 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.001 -3.920 -1.862 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.076 -1.038 -0.987 1.00 15.00 H new ATOM 0 HG3 PRO A 311 7.995 -1.813 -2.127 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.179 -1.314 0.390 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.671 -2.781 -0.425 1.00 15.00 H new ATOM 503 N ARG A 312 10.799 -2.035 1.620 1.00 15.00 N ATOM 504 CA ARG A 312 11.998 -1.461 2.236 1.00 15.00 C ATOM 505 C ARG A 312 12.652 -2.450 3.201 1.00 15.00 C ATOM 506 O ARG A 312 13.777 -2.241 3.657 1.00 15.00 O ATOM 507 CB ARG A 312 11.651 -0.165 2.975 1.00 15.00 C ATOM 508 CG ARG A 312 10.927 -0.387 4.295 1.00 15.00 C ATOM 509 CD ARG A 312 10.185 0.859 4.747 1.00 15.00 C ATOM 510 NE ARG A 312 11.047 2.037 4.815 1.00 15.00 N ATOM 511 CZ ARG A 312 10.583 3.285 4.834 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.276 3.509 4.734 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 11.422 4.310 4.934 1.00 15.00 N ATOM 0 H ARG A 312 9.934 -1.547 1.853 1.00 15.00 H new ATOM 0 HA ARG A 312 12.708 -1.240 1.439 1.00 15.00 H new ATOM 0 HB2 ARG A 312 12.569 0.392 3.164 1.00 15.00 H new ATOM 0 HB3 ARG A 312 11.029 0.455 2.330 1.00 15.00 H new ATOM 0 HG2 ARG A 312 10.222 -1.212 4.189 1.00 15.00 H new ATOM 0 HG3 ARG A 312 11.647 -0.679 5.060 1.00 15.00 H new ATOM 0 HD2 ARG A 312 9.362 1.056 4.060 1.00 15.00 H new ATOM 0 HD3 ARG A 312 9.745 0.679 5.728 1.00 15.00 H new ATOM 0 HE ARG A 312 12.057 1.896 4.850 1.00 15.00 H new ATOM 0 HH11 ARG A 312 8.630 2.725 4.643 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.920 4.465 4.748 1.00 15.00 H new ATOM 0 HH21 ARG A 312 12.426 4.143 4.997 1.00 15.00 H new ATOM 0 HH22 ARG A 312 11.062 5.264 4.948 1.00 15.00 H new ATOM 527 N LEU A 313 11.928 -3.519 3.523 1.00 15.00 N ATOM 528 CA LEU A 313 12.453 -4.572 4.382 1.00 15.00 C ATOM 529 C LEU A 313 13.493 -5.394 3.617 1.00 15.00 C ATOM 530 O LEU A 313 14.279 -6.134 4.205 1.00 15.00 O ATOM 531 CB LEU A 313 11.296 -5.456 4.885 1.00 15.00 C ATOM 532 CG LEU A 313 11.636 -6.455 6.003 1.00 15.00 C ATOM 533 CD1 LEU A 313 10.425 -6.669 6.898 1.00 15.00 C ATOM 534 CD2 LEU A 313 12.086 -7.789 5.425 1.00 15.00 C ATOM 0 H LEU A 313 10.974 -3.677 3.200 1.00 15.00 H new ATOM 0 HA LEU A 313 12.944 -4.131 5.249 1.00 15.00 H new ATOM 0 HB2 LEU A 313 10.498 -4.804 5.240 1.00 15.00 H new ATOM 0 HB3 LEU A 313 10.899 -6.014 4.037 1.00 15.00 H new ATOM 0 HG LEU A 313 12.454 -6.039 6.591 1.00 15.00 H new ATOM 0 HD11 LEU A 313 10.676 -7.378 7.687 1.00 15.00 H new ATOM 0 HD12 LEU A 313 10.130 -5.719 7.344 1.00 15.00 H new ATOM 0 HD13 LEU A 313 9.600 -7.063 6.305 1.00 15.00 H new ATOM 0 HD21 LEU A 313 12.320 -8.477 6.237 1.00 15.00 H new ATOM 0 HD22 LEU A 313 11.287 -8.208 4.813 1.00 15.00 H new ATOM 0 HD23 LEU A 313 12.973 -7.638 4.810 1.00 15.00 H new ATOM 546 N HIS A 314 13.489 -5.250 2.299 1.00 15.00 N ATOM 547 CA HIS A 314 14.416 -5.966 1.439 1.00 15.00 C ATOM 548 C HIS A 314 15.429 -5.002 0.846 1.00 15.00 C ATOM 549 O HIS A 314 15.012 -4.016 0.207 1.00 15.00 O ATOM 550 CB HIS A 314 13.672 -6.699 0.318 1.00 15.00 C ATOM 551 CG HIS A 314 12.793 -7.809 0.804 1.00 15.00 C ATOM 552 ND1 HIS A 314 11.619 -8.167 0.182 1.00 15.00 N ATOM 553 CD2 HIS A 314 12.927 -8.646 1.858 1.00 15.00 C ATOM 554 CE1 HIS A 314 11.071 -9.177 0.829 1.00 15.00 C ATOM 555 NE2 HIS A 314 11.844 -9.486 1.850 1.00 15.00 N ATOM 556 OXT HIS A 314 16.641 -5.244 1.007 1.00 15.00 O ATOM 0 H HIS A 314 12.846 -4.636 1.799 1.00 15.00 H new ATOM 0 HA HIS A 314 14.937 -6.707 2.045 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.064 -5.981 -0.233 1.00 15.00 H new ATOM 0 HB3 HIS A 314 14.400 -7.105 -0.384 1.00 15.00 H new ATOM 0 HD2 HIS A 314 13.737 -8.651 2.573 1.00 15.00 H new ATOM 0 HE1 HIS A 314 10.145 -9.668 0.566 1.00 15.00 H new ATOM 0 HE2 HIS A 314 11.666 -10.230 2.525 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.569 -13.163 4.342 1.00 15.00 N ATOM 567 CA GLU B 203 0.546 -12.341 5.026 1.00 15.00 C ATOM 568 C GLU B 203 0.353 -12.802 6.473 1.00 15.00 C ATOM 569 O GLU B 203 1.200 -12.527 7.323 1.00 15.00 O ATOM 570 CB GLU B 203 -0.796 -12.379 4.278 1.00 15.00 C ATOM 571 CG GLU B 203 -0.789 -11.657 2.937 1.00 15.00 C ATOM 572 CD GLU B 203 0.015 -12.382 1.882 1.00 15.00 C ATOM 573 OE1 GLU B 203 1.246 -12.179 1.821 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -0.577 -13.174 1.123 1.00 15.00 O ATOM 0 HA GLU B 203 0.906 -11.312 5.030 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -1.078 -13.419 4.115 1.00 15.00 H new ATOM 0 HB3 GLU B 203 -1.564 -11.936 4.912 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -1.815 -11.540 2.588 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -0.382 -10.655 3.072 1.00 15.00 H new ATOM 583 N LEU B 204 -0.738 -13.541 6.735 1.00 15.00 N ATOM 584 CA LEU B 204 -1.109 -13.948 8.100 1.00 15.00 C ATOM 585 C LEU B 204 -1.442 -12.719 8.943 1.00 15.00 C ATOM 586 O LEU B 204 -1.425 -12.767 10.175 1.00 15.00 O ATOM 587 CB LEU B 204 0.018 -14.754 8.761 1.00 15.00 C ATOM 588 CG LEU B 204 0.297 -16.126 8.141 1.00 15.00 C ATOM 589 CD1 LEU B 204 1.453 -16.809 8.855 1.00 15.00 C ATOM 590 CD2 LEU B 204 -0.949 -16.995 8.196 1.00 15.00 C ATOM 0 H LEU B 204 -1.381 -13.870 6.015 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.990 -14.586 8.037 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.934 -14.164 8.723 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.228 -14.893 9.814 1.00 15.00 H new ATOM 0 HG LEU B 204 0.574 -15.983 7.097 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.637 -17.783 8.401 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.348 -16.194 8.769 1.00 15.00 H new ATOM 0 HD13 LEU B 204 1.203 -16.941 9.908 1.00 15.00 H new ATOM 0 HD21 LEU B 204 -0.735 -17.967 7.752 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -1.253 -17.130 9.234 1.00 15.00 H new ATOM 0 HD23 LEU B 204 -1.754 -16.512 7.642 1.00 15.00 H new ATOM 602 N GLU B 205 -1.803 -11.644 8.263 1.00 15.00 N ATOM 603 CA GLU B 205 -2.031 -10.353 8.892 1.00 15.00 C ATOM 604 C GLU B 205 -3.524 -10.064 9.005 1.00 15.00 C ATOM 605 O GLU B 205 -4.357 -10.880 8.610 1.00 15.00 O ATOM 606 CB GLU B 205 -1.368 -9.249 8.063 1.00 15.00 C ATOM 607 CG GLU B 205 0.103 -9.493 7.765 1.00 15.00 C ATOM 608 CD GLU B 205 0.999 -9.233 8.956 1.00 15.00 C ATOM 609 OE1 GLU B 205 0.669 -9.675 10.075 1.00 15.00 O ATOM 610 OE2 GLU B 205 2.041 -8.568 8.782 1.00 15.00 O1- ATOM 0 H GLU B 205 -1.947 -11.642 7.253 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.598 -10.378 9.892 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.906 -9.145 7.121 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -1.468 -8.302 8.593 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.235 -10.524 7.436 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.412 -8.853 6.939 1.00 15.00 H new ATOM 617 N SER B 206 -3.853 -8.910 9.570 1.00 15.00 N ATOM 618 CA SER B 206 -5.218 -8.403 9.542 1.00 15.00 C ATOM 619 C SER B 206 -5.615 -8.109 8.095 1.00 15.00 C ATOM 620 O SER B 206 -4.749 -7.816 7.274 1.00 15.00 O ATOM 621 CB SER B 206 -5.298 -7.131 10.390 1.00 15.00 C ATOM 622 OG SER B 206 -4.234 -6.247 10.075 1.00 15.00 O ATOM 0 H SER B 206 -3.190 -8.305 10.055 1.00 15.00 H new ATOM 0 HA SER B 206 -5.904 -9.144 9.952 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.253 -6.634 10.218 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.260 -7.391 11.448 1.00 15.00 H new ATOM 0 HG SER B 206 -4.305 -5.440 10.627 1.00 15.00 H new ATOM 628 N PRO B 207 -6.913 -8.177 7.752 1.00 15.00 N ATOM 629 CA PRO B 207 -7.373 -7.910 6.385 1.00 15.00 C ATOM 630 C PRO B 207 -6.972 -6.515 5.896 1.00 15.00 C ATOM 631 O PRO B 207 -7.349 -5.502 6.495 1.00 15.00 O ATOM 632 CB PRO B 207 -8.900 -8.027 6.478 1.00 15.00 C ATOM 633 CG PRO B 207 -9.216 -7.947 7.934 1.00 15.00 C ATOM 634 CD PRO B 207 -8.027 -8.517 8.649 1.00 15.00 C ATOM 0 HA PRO B 207 -6.928 -8.602 5.671 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.390 -7.225 5.925 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.249 -8.968 6.051 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.396 -6.916 8.238 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.119 -8.511 8.168 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -7.900 -8.075 9.637 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.118 -9.594 8.790 1.00 15.00 H new ATOM 642 N PRO B 208 -6.187 -6.457 4.806 1.00 15.00 N ATOM 643 CA PRO B 208 -5.729 -5.197 4.223 1.00 15.00 C ATOM 644 C PRO B 208 -6.817 -4.492 3.408 1.00 15.00 C ATOM 645 O PRO B 208 -7.717 -5.138 2.858 1.00 15.00 O ATOM 646 CB PRO B 208 -4.575 -5.629 3.317 1.00 15.00 C ATOM 647 CG PRO B 208 -4.883 -7.032 2.937 1.00 15.00 C ATOM 648 CD PRO B 208 -5.654 -7.627 4.085 1.00 15.00 C ATOM 0 HA PRO B 208 -5.445 -4.475 4.989 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.504 -4.989 2.437 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.620 -5.563 3.837 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.468 -7.065 2.018 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.967 -7.594 2.752 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.455 -8.277 3.733 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.012 -8.231 4.726 1.00 15.00 H new ATOM 656 N PRO B 209 -6.727 -3.156 3.300 1.00 15.00 N ATOM 657 CA PRO B 209 -7.702 -2.332 2.573 1.00 15.00 C ATOM 658 C PRO B 209 -7.586 -2.503 1.058 1.00 15.00 C ATOM 659 O PRO B 209 -6.492 -2.399 0.498 1.00 15.00 O ATOM 660 CB PRO B 209 -7.332 -0.888 2.968 1.00 15.00 C ATOM 661 CG PRO B 209 -6.305 -1.004 4.042 1.00 15.00 C ATOM 662 CD PRO B 209 -5.649 -2.338 3.860 1.00 15.00 C ATOM 0 HA PRO B 209 -8.726 -2.608 2.824 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.941 -0.338 2.112 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.208 -0.344 3.323 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.574 -0.199 3.968 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.764 -0.929 5.028 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.794 -2.280 3.187 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.284 -2.741 4.804 1.00 15.00 H new ATOM 670 N PRO B 210 -8.713 -2.769 0.375 1.00 15.00 N ATOM 671 CA PRO B 210 -8.745 -2.895 -1.087 1.00 15.00 C ATOM 672 C PRO B 210 -8.194 -1.648 -1.773 1.00 15.00 C ATOM 673 O PRO B 210 -8.373 -0.534 -1.276 1.00 15.00 O ATOM 674 CB PRO B 210 -10.236 -3.058 -1.400 1.00 15.00 C ATOM 675 CG PRO B 210 -10.838 -3.576 -0.140 1.00 15.00 C ATOM 676 CD PRO B 210 -10.043 -2.963 0.976 1.00 15.00 C ATOM 0 HA PRO B 210 -8.132 -3.723 -1.443 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.685 -2.108 -1.691 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.393 -3.751 -2.227 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.890 -3.301 -0.067 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.790 -4.664 -0.102 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.476 -2.020 1.308 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.000 -3.618 1.846 1.00 15.00 H new ATOM 684 N TYR B 211 -7.532 -1.837 -2.912 1.00 15.00 N ATOM 685 CA TYR B 211 -6.935 -0.726 -3.642 1.00 15.00 C ATOM 686 C TYR B 211 -7.991 0.281 -4.080 1.00 15.00 C ATOM 687 O TYR B 211 -8.724 0.076 -5.051 1.00 15.00 O ATOM 688 CB TYR B 211 -6.093 -1.231 -4.834 1.00 15.00 C ATOM 689 CG TYR B 211 -5.903 -0.233 -5.975 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.461 1.066 -5.742 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.176 -0.594 -7.294 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.309 1.968 -6.776 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.014 0.312 -8.327 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.589 1.578 -8.063 1.00 15.00 C ATOM 695 OH TYR B 211 -5.456 2.458 -9.105 1.00 15.00 O ATOM 0 H TYR B 211 -7.397 -2.749 -3.348 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.258 -0.206 -2.964 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.111 -1.524 -4.464 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.564 -2.129 -5.234 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.232 1.374 -4.733 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.519 -1.595 -7.512 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.972 2.974 -6.574 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.225 0.015 -9.344 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.750 3.105 -8.899 1.00 15.00 H new ATOM 705 N SER B 212 -8.106 1.334 -3.291 1.00 15.00 N ATOM 706 CA SER B 212 -8.867 2.504 -3.660 1.00 15.00 C ATOM 707 C SER B 212 -7.991 3.367 -4.549 1.00 15.00 C ATOM 708 O SER B 212 -6.807 3.543 -4.253 1.00 15.00 O ATOM 709 CB SER B 212 -9.282 3.261 -2.395 1.00 15.00 C ATOM 710 OG SER B 212 -8.176 3.416 -1.517 1.00 15.00 O ATOM 0 H SER B 212 -7.670 1.397 -2.371 1.00 15.00 H new ATOM 0 HA SER B 212 -9.774 2.229 -4.199 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.679 4.240 -2.665 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.082 2.721 -1.888 1.00 15.00 H new ATOM 0 HG SER B 212 -8.489 3.758 -0.653 1.00 15.00 H new ATOM 716 N ARG B 213 -8.558 3.915 -5.612 1.00 15.00 N ATOM 717 CA ARG B 213 -7.765 4.605 -6.618 1.00 15.00 C ATOM 718 C ARG B 213 -7.003 5.772 -6.010 1.00 15.00 C ATOM 719 O ARG B 213 -5.780 5.827 -6.087 1.00 15.00 O ATOM 720 CB ARG B 213 -8.650 5.095 -7.765 1.00 15.00 C ATOM 721 CG ARG B 213 -9.330 3.976 -8.537 1.00 15.00 C ATOM 722 CD ARG B 213 -10.160 4.518 -9.688 1.00 15.00 C ATOM 723 NE ARG B 213 -11.257 5.372 -9.222 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.483 6.607 -9.668 1.00 15.00 C ATOM 725 NH1 ARG B 213 -10.653 7.165 -10.542 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.532 7.291 -9.223 1.00 15.00 N ATOM 0 H ARG B 213 -9.560 3.896 -5.801 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.042 3.892 -7.014 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.413 5.762 -7.363 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.043 5.683 -8.454 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.577 3.289 -8.922 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.969 3.404 -7.864 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.518 5.087 -10.361 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.567 3.687 -10.264 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.886 4.997 -8.512 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.839 6.648 -10.874 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.830 8.111 -10.881 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.163 6.870 -8.541 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.706 8.237 -9.564 1.00 15.00 H new ATOM 740 N TYR B 214 -7.717 6.709 -5.415 1.00 15.00 N ATOM 741 CA TYR B 214 -7.070 7.858 -4.803 1.00 15.00 C ATOM 742 C TYR B 214 -7.383 7.933 -3.313 1.00 15.00 C ATOM 743 O TYR B 214 -8.383 8.526 -2.910 1.00 15.00 O ATOM 744 CB TYR B 214 -7.461 9.159 -5.520 1.00 15.00 C ATOM 745 CG TYR B 214 -6.853 9.289 -6.904 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.120 8.347 -7.889 1.00 15.00 C ATOM 747 CD2 TYR B 214 -6.006 10.341 -7.223 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.563 8.445 -9.146 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.444 10.451 -8.485 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.727 9.496 -9.442 1.00 15.00 C ATOM 751 OH TYR B 214 -5.172 9.595 -10.699 1.00 15.00 O ATOM 0 H TYR B 214 -8.734 6.700 -5.342 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.993 7.732 -4.910 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.547 9.208 -5.602 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.148 10.008 -4.912 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.778 7.520 -7.665 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.781 11.087 -6.475 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.782 7.699 -9.896 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.789 11.278 -8.719 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.607 10.394 -10.745 1.00 15.00 H new ATOM 761 N PRO B 215 -6.554 7.281 -2.482 1.00 15.00 N ATOM 762 CA PRO B 215 -6.716 7.298 -1.038 1.00 15.00 C ATOM 763 C PRO B 215 -6.003 8.485 -0.399 1.00 15.00 C ATOM 764 O PRO B 215 -4.781 8.615 -0.483 1.00 15.00 O ATOM 765 CB PRO B 215 -6.076 5.979 -0.608 1.00 15.00 C ATOM 766 CG PRO B 215 -5.027 5.694 -1.637 1.00 15.00 C ATOM 767 CD PRO B 215 -5.396 6.462 -2.887 1.00 15.00 C ATOM 0 HA PRO B 215 -7.757 7.399 -0.732 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.639 6.060 0.387 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.815 5.178 -0.567 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.044 5.997 -1.277 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.974 4.625 -1.845 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.569 7.084 -3.230 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.651 5.790 -3.706 1.00 15.00 H new ATOM 775 N MET B 216 -6.772 9.360 0.222 1.00 15.00 N ATOM 776 CA MET B 216 -6.211 10.529 0.872 1.00 15.00 C ATOM 777 C MET B 216 -5.956 10.207 2.335 1.00 15.00 C ATOM 778 O MET B 216 -6.887 9.900 3.079 1.00 15.00 O ATOM 779 CB MET B 216 -7.167 11.720 0.741 1.00 15.00 C ATOM 780 CG MET B 216 -6.497 13.084 0.874 1.00 15.00 C ATOM 781 SD MET B 216 -5.893 13.445 2.538 1.00 15.00 S ATOM 782 CE MET B 216 -7.428 13.493 3.465 1.00 15.00 C ATOM 0 H MET B 216 -7.787 9.283 0.290 1.00 15.00 H new ATOM 0 HA MET B 216 -5.270 10.798 0.393 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.664 11.666 -0.227 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.942 11.634 1.503 1.00 15.00 H new ATOM 0 HG2 MET B 216 -5.662 13.137 0.176 1.00 15.00 H new ATOM 0 HG3 MET B 216 -7.207 13.857 0.581 1.00 15.00 H new ATOM 0 HE1 MET B 216 -7.270 14.023 4.404 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.190 14.009 2.881 1.00 15.00 H new ATOM 0 HE3 MET B 216 -7.759 12.476 3.674 1.00 15.00 H new ATOM 792 N ASP B 217 -4.699 10.251 2.737 1.00 15.00 N ATOM 793 CA ASP B 217 -4.321 9.929 4.105 1.00 15.00 C ATOM 794 C ASP B 217 -3.261 10.897 4.604 1.00 15.00 C ATOM 795 O ASP B 217 -3.581 11.730 5.476 1.00 15.00 O ATOM 796 CB ASP B 217 -3.810 8.490 4.200 1.00 15.00 C ATOM 797 CG ASP B 217 -3.145 8.198 5.528 1.00 15.00 C ATOM 798 OD1 ASP B 217 -3.745 8.504 6.578 1.00 15.00 O1- ATOM 799 OD2 ASP B 217 -2.010 7.675 5.518 1.00 15.00 O ATOM 800 OXT ASP B 217 -2.124 10.843 4.100 1.00 15.00 O ATOM 0 H ASP B 217 -3.918 10.508 2.134 1.00 15.00 H new ATOM 0 HA ASP B 217 -5.206 10.023 4.735 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -4.643 7.802 4.055 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -3.100 8.306 3.394 1.00 15.00 H new TER 805 ASP B 217