USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=11 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= 0.181 K(o=-0.43,f=-6.5!) USER MOD Set 1.2: B 211 TYR OH : rot -93:sc= -0.608 USER MOD Set 2.1: A 309 THR OG1 : rot 180:sc= -0.712 USER MOD Set 2.2: A 314 HIS : no HD1:sc= -1.21 K(o=-1.9,f=0.25) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -44:sc= -0.464 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 0.0644 X(o=0.064,f=-0.2) USER MOD Single : A 303 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.7!) USER MOD Single : A 305 THR OG1 : rot -170:sc= -0.0566 USER MOD Single : A 306 THR OG1 : rot -153:sc= 0.535 USER MOD Single : A 307 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 15.800 6.407 -0.340 1.00 15.00 N ATOM 2 CA GLY A 280 15.264 5.747 -1.556 1.00 15.00 C ATOM 3 C GLY A 280 14.121 6.529 -2.171 1.00 15.00 C ATOM 4 O GLY A 280 13.287 7.074 -1.450 1.00 15.00 O ATOM 0 HA2 GLY A 280 16.063 5.635 -2.289 1.00 15.00 H new ATOM 0 HA3 GLY A 280 14.922 4.744 -1.303 1.00 15.00 H new ATOM 10 N PRO A 281 14.058 6.608 -3.510 1.00 15.00 N ATOM 11 CA PRO A 281 12.999 7.328 -4.203 1.00 15.00 C ATOM 12 C PRO A 281 11.746 6.475 -4.387 1.00 15.00 C ATOM 13 O PRO A 281 11.809 5.362 -4.910 1.00 15.00 O ATOM 14 CB PRO A 281 13.634 7.660 -5.551 1.00 15.00 C ATOM 15 CG PRO A 281 14.621 6.566 -5.798 1.00 15.00 C ATOM 16 CD PRO A 281 15.020 6.007 -4.452 1.00 15.00 C ATOM 0 HA PRO A 281 12.661 8.204 -3.650 1.00 15.00 H new ATOM 0 HB2 PRO A 281 12.884 7.699 -6.341 1.00 15.00 H new ATOM 0 HB3 PRO A 281 14.123 8.634 -5.527 1.00 15.00 H new ATOM 0 HG2 PRO A 281 14.183 5.787 -6.423 1.00 15.00 H new ATOM 0 HG3 PRO A 281 15.493 6.948 -6.329 1.00 15.00 H new ATOM 0 HD2 PRO A 281 14.962 4.919 -4.440 1.00 15.00 H new ATOM 0 HD3 PRO A 281 16.046 6.274 -4.198 1.00 15.00 H new ATOM 24 N LEU A 282 10.614 7.001 -3.947 1.00 15.00 N ATOM 25 CA LEU A 282 9.346 6.298 -4.066 1.00 15.00 C ATOM 26 C LEU A 282 8.811 6.402 -5.493 1.00 15.00 C ATOM 27 O LEU A 282 8.571 7.503 -5.990 1.00 15.00 O ATOM 28 CB LEU A 282 8.329 6.879 -3.082 1.00 15.00 C ATOM 29 CG LEU A 282 6.960 6.194 -3.071 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.067 4.781 -2.514 1.00 15.00 C ATOM 31 CD2 LEU A 282 5.964 7.015 -2.270 1.00 15.00 C ATOM 0 H LEU A 282 10.547 7.917 -3.502 1.00 15.00 H new ATOM 0 HA LEU A 282 9.508 5.246 -3.830 1.00 15.00 H new ATOM 0 HB2 LEU A 282 8.750 6.828 -2.078 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.186 7.934 -3.314 1.00 15.00 H new ATOM 0 HG LEU A 282 6.602 6.125 -4.098 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.082 4.314 -2.516 1.00 15.00 H new ATOM 0 HD12 LEU A 282 7.747 4.196 -3.133 1.00 15.00 H new ATOM 0 HD13 LEU A 282 7.448 4.820 -1.494 1.00 15.00 H new ATOM 0 HD21 LEU A 282 4.996 6.515 -2.272 1.00 15.00 H new ATOM 0 HD22 LEU A 282 6.318 7.117 -1.244 1.00 15.00 H new ATOM 0 HD23 LEU A 282 5.863 8.003 -2.719 1.00 15.00 H new ATOM 43 N PRO A 283 8.628 5.255 -6.170 1.00 15.00 N ATOM 44 CA PRO A 283 8.084 5.215 -7.532 1.00 15.00 C ATOM 45 C PRO A 283 6.737 5.926 -7.629 1.00 15.00 C ATOM 46 O PRO A 283 5.869 5.741 -6.775 1.00 15.00 O ATOM 47 CB PRO A 283 7.917 3.719 -7.809 1.00 15.00 C ATOM 48 CG PRO A 283 8.880 3.049 -6.890 1.00 15.00 C ATOM 49 CD PRO A 283 8.941 3.908 -5.660 1.00 15.00 C ATOM 0 HA PRO A 283 8.733 5.721 -8.247 1.00 15.00 H new ATOM 0 HB2 PRO A 283 6.895 3.393 -7.616 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.136 3.483 -8.851 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.549 2.040 -6.645 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.863 2.959 -7.352 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.221 3.585 -4.908 1.00 15.00 H new ATOM 0 HD3 PRO A 283 9.926 3.873 -5.194 1.00 15.00 H new ATOM 57 N PRO A 284 6.539 6.731 -8.689 1.00 15.00 N ATOM 58 CA PRO A 284 5.310 7.518 -8.882 1.00 15.00 C ATOM 59 C PRO A 284 4.069 6.650 -9.116 1.00 15.00 C ATOM 60 O PRO A 284 2.964 7.166 -9.300 1.00 15.00 O ATOM 61 CB PRO A 284 5.614 8.365 -10.123 1.00 15.00 C ATOM 62 CG PRO A 284 6.691 7.626 -10.841 1.00 15.00 C ATOM 63 CD PRO A 284 7.508 6.948 -9.780 1.00 15.00 C ATOM 0 HA PRO A 284 5.071 8.104 -7.994 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.729 8.479 -10.749 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.940 9.367 -9.846 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.269 6.897 -11.533 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.305 8.307 -11.430 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.929 6.008 -10.136 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.343 7.569 -9.458 1.00 15.00 H new ATOM 71 N GLY A 285 4.261 5.338 -9.128 1.00 15.00 N ATOM 72 CA GLY A 285 3.146 4.421 -9.249 1.00 15.00 C ATOM 73 C GLY A 285 2.727 3.866 -7.903 1.00 15.00 C ATOM 74 O GLY A 285 1.635 3.313 -7.759 1.00 15.00 O ATOM 0 H GLY A 285 5.175 4.891 -9.056 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.302 4.934 -9.710 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.420 3.600 -9.911 1.00 15.00 H new ATOM 78 N TRP A 286 3.595 4.036 -6.915 1.00 15.00 N ATOM 79 CA TRP A 286 3.368 3.489 -5.586 1.00 15.00 C ATOM 80 C TRP A 286 2.612 4.474 -4.715 1.00 15.00 C ATOM 81 O TRP A 286 3.170 5.476 -4.263 1.00 15.00 O ATOM 82 CB TRP A 286 4.698 3.089 -4.928 1.00 15.00 C ATOM 83 CG TRP A 286 5.164 1.740 -5.372 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.435 1.355 -6.652 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.372 0.584 -4.549 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.780 0.030 -6.684 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.743 -0.471 -5.410 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.274 0.322 -3.172 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.005 -1.758 -4.947 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.529 -0.958 -2.726 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.881 -1.986 -3.607 1.00 15.00 C ATOM 0 H TRP A 286 4.469 4.553 -7.011 1.00 15.00 H new ATOM 0 HA TRP A 286 2.756 2.593 -5.690 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.459 3.832 -5.169 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.581 3.093 -3.844 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.385 2.002 -7.516 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.025 -0.498 -7.521 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.005 1.105 -2.479 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.296 -2.548 -5.624 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.455 -1.172 -1.670 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.058 -2.979 -3.220 1.00 15.00 H new ATOM 102 N GLU A 287 1.330 4.203 -4.507 1.00 15.00 N ATOM 103 CA GLU A 287 0.504 5.048 -3.678 1.00 15.00 C ATOM 104 C GLU A 287 0.572 4.525 -2.243 1.00 15.00 C ATOM 105 O GLU A 287 -0.081 3.541 -1.895 1.00 15.00 O ATOM 106 CB GLU A 287 -0.921 5.036 -4.240 1.00 15.00 C ATOM 107 CG GLU A 287 -1.916 5.958 -3.558 1.00 15.00 C ATOM 108 CD GLU A 287 -1.793 7.390 -4.030 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.949 7.626 -5.251 1.00 15.00 O ATOM 110 OE2 GLU A 287 -1.569 8.284 -3.185 1.00 15.00 O1- ATOM 0 H GLU A 287 0.845 3.399 -4.906 1.00 15.00 H new ATOM 0 HA GLU A 287 0.850 6.081 -3.675 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.875 5.302 -5.296 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.303 4.017 -4.184 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.928 5.601 -3.749 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.763 5.919 -2.480 1.00 15.00 H new ATOM 117 N VAL A 288 1.433 5.136 -1.438 1.00 15.00 N ATOM 118 CA VAL A 288 1.697 4.648 -0.090 1.00 15.00 C ATOM 119 C VAL A 288 0.745 5.278 0.922 1.00 15.00 C ATOM 120 O VAL A 288 0.674 6.501 1.053 1.00 15.00 O ATOM 121 CB VAL A 288 3.169 4.893 0.332 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.516 6.376 0.324 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.452 4.276 1.696 1.00 15.00 C ATOM 0 H VAL A 288 1.960 5.970 -1.695 1.00 15.00 H new ATOM 0 HA VAL A 288 1.526 3.572 -0.103 1.00 15.00 H new ATOM 0 HB VAL A 288 3.807 4.404 -0.404 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.555 6.508 0.625 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.375 6.777 -0.680 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.866 6.905 1.021 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.491 4.461 1.971 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.794 4.724 2.441 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.274 3.202 1.653 1.00 15.00 H new ATOM 133 N ARG A 289 0.013 4.433 1.630 1.00 15.00 N ATOM 134 CA ARG A 289 -1.000 4.885 2.568 1.00 15.00 C ATOM 135 C ARG A 289 -0.867 4.130 3.885 1.00 15.00 C ATOM 136 O ARG A 289 -0.438 2.977 3.900 1.00 15.00 O ATOM 137 CB ARG A 289 -2.383 4.683 1.944 1.00 15.00 C ATOM 138 CG ARG A 289 -2.623 5.582 0.745 1.00 15.00 C ATOM 139 CD ARG A 289 -2.418 7.047 1.106 1.00 15.00 C ATOM 140 NE ARG A 289 -1.966 7.850 -0.031 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.296 8.995 0.085 1.00 15.00 C ATOM 142 NH1 ARG A 289 -0.972 9.470 1.282 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -0.929 9.650 -1.006 1.00 15.00 N ATOM 0 H ARG A 289 0.104 3.419 1.571 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.866 5.945 2.782 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.491 3.642 1.639 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.148 4.876 2.696 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.945 5.305 -0.062 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.637 5.435 0.374 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.353 7.458 1.487 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.687 7.120 1.911 1.00 15.00 H new ATOM 0 HE ARG A 289 -2.177 7.512 -0.970 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -1.236 8.957 2.123 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -0.459 10.348 1.360 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.160 9.277 -1.927 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -0.416 10.528 -0.925 1.00 15.00 H new ATOM 157 N SER A 290 -1.240 4.771 4.984 1.00 15.00 N ATOM 158 CA SER A 290 -1.034 4.189 6.304 1.00 15.00 C ATOM 159 C SER A 290 -2.341 4.128 7.095 1.00 15.00 C ATOM 160 O SER A 290 -3.120 5.077 7.105 1.00 15.00 O ATOM 161 CB SER A 290 0.010 5.010 7.073 1.00 15.00 C ATOM 162 OG SER A 290 0.357 4.393 8.306 1.00 15.00 O ATOM 0 H SER A 290 -1.684 5.689 4.989 1.00 15.00 H new ATOM 0 HA SER A 290 -0.673 3.168 6.176 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.904 5.128 6.460 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.381 6.010 7.263 1.00 15.00 H new ATOM 0 HG SER A 290 1.025 4.941 8.769 1.00 15.00 H new ATOM 168 N THR A 291 -2.562 3.003 7.768 1.00 15.00 N ATOM 169 CA THR A 291 -3.712 2.854 8.649 1.00 15.00 C ATOM 170 C THR A 291 -3.317 3.205 10.080 1.00 15.00 C ATOM 171 O THR A 291 -2.185 2.933 10.502 1.00 15.00 O ATOM 172 CB THR A 291 -4.286 1.417 8.618 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.240 0.459 8.835 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.987 1.124 7.295 1.00 15.00 C ATOM 0 H THR A 291 -1.959 2.182 7.719 1.00 15.00 H new ATOM 0 HA THR A 291 -4.485 3.534 8.292 1.00 15.00 H new ATOM 0 HB THR A 291 -5.022 1.338 9.418 1.00 15.00 H new ATOM 0 HG1 THR A 291 -2.457 0.702 8.298 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.378 0.107 7.308 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.808 1.827 7.155 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.276 1.229 6.475 1.00 15.00 H new ATOM 182 N VAL A 292 -4.252 3.784 10.830 1.00 15.00 N ATOM 183 CA VAL A 292 -3.987 4.237 12.196 1.00 15.00 C ATOM 184 C VAL A 292 -3.708 3.047 13.117 1.00 15.00 C ATOM 185 O VAL A 292 -3.189 3.201 14.221 1.00 15.00 O ATOM 186 CB VAL A 292 -5.168 5.067 12.750 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.818 5.710 14.084 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.591 6.128 11.746 1.00 15.00 C ATOM 0 H VAL A 292 -5.207 3.952 10.513 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.103 4.875 12.165 1.00 15.00 H new ATOM 0 HB VAL A 292 -6.003 4.386 12.916 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.670 6.286 14.445 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.571 4.934 14.808 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -3.961 6.372 13.955 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.423 6.703 12.153 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.752 6.795 11.547 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.901 5.648 10.818 1.00 15.00 H new ATOM 198 N SER A 293 -4.047 1.855 12.646 1.00 15.00 N ATOM 199 CA SER A 293 -3.735 0.616 13.349 1.00 15.00 C ATOM 200 C SER A 293 -2.221 0.429 13.492 1.00 15.00 C ATOM 201 O SER A 293 -1.752 -0.411 14.263 1.00 15.00 O ATOM 202 CB SER A 293 -4.337 -0.568 12.598 1.00 15.00 C ATOM 203 OG SER A 293 -5.710 -0.345 12.331 1.00 15.00 O ATOM 0 H SER A 293 -4.546 1.718 11.767 1.00 15.00 H new ATOM 0 HA SER A 293 -4.166 0.671 14.349 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.800 -0.723 11.662 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.219 -1.477 13.188 1.00 15.00 H new ATOM 0 HG SER A 293 -6.078 -1.114 11.848 1.00 15.00 H new ATOM 209 N GLY A 294 -1.465 1.207 12.729 1.00 15.00 N ATOM 210 CA GLY A 294 -0.028 1.066 12.716 1.00 15.00 C ATOM 211 C GLY A 294 0.423 0.082 11.663 1.00 15.00 C ATOM 212 O GLY A 294 1.361 -0.681 11.868 1.00 15.00 O ATOM 0 H GLY A 294 -1.827 1.937 12.116 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.432 2.036 12.529 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.315 0.734 13.696 1.00 15.00 H new ATOM 216 N ARG A 295 -0.267 0.099 10.532 1.00 15.00 N ATOM 217 CA ARG A 295 0.091 -0.740 9.400 1.00 15.00 C ATOM 218 C ARG A 295 0.231 0.104 8.149 1.00 15.00 C ATOM 219 O ARG A 295 -0.655 0.904 7.827 1.00 15.00 O ATOM 220 CB ARG A 295 -0.952 -1.839 9.157 1.00 15.00 C ATOM 221 CG ARG A 295 -0.844 -3.015 10.113 1.00 15.00 C ATOM 222 CD ARG A 295 -1.758 -4.166 9.713 1.00 15.00 C ATOM 223 NE ARG A 295 -3.171 -3.855 9.932 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.146 -4.755 9.823 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.851 -6.005 9.486 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.407 -4.412 10.061 1.00 15.00 N ATOM 0 H ARG A 295 -1.084 0.690 10.374 1.00 15.00 H new ATOM 0 HA ARG A 295 1.043 -1.217 9.634 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.948 -1.405 9.242 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.849 -2.204 8.135 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.188 -3.365 10.141 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.096 -2.686 11.121 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.599 -4.404 8.661 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.491 -5.055 10.285 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.422 -2.898 10.181 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.882 -6.271 9.312 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.594 -6.699 9.401 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.633 -3.454 10.329 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.149 -5.106 9.976 1.00 15.00 H new ATOM 240 N ILE A 296 1.320 -0.095 7.433 1.00 15.00 N ATOM 241 CA ILE A 296 1.509 0.560 6.155 1.00 15.00 C ATOM 242 C ILE A 296 0.916 -0.355 5.097 1.00 15.00 C ATOM 243 O ILE A 296 0.939 -1.577 5.252 1.00 15.00 O ATOM 244 CB ILE A 296 3.008 0.838 5.863 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.166 1.826 4.703 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.757 -0.453 5.560 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.666 3.217 5.023 1.00 15.00 C ATOM 0 H ILE A 296 2.087 -0.705 7.715 1.00 15.00 H new ATOM 0 HA ILE A 296 1.015 1.532 6.157 1.00 15.00 H new ATOM 0 HB ILE A 296 3.440 1.283 6.759 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.218 1.882 4.425 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.627 1.445 3.836 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.804 -0.227 5.359 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.688 -1.123 6.417 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.316 -0.933 4.687 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.809 3.863 4.157 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.606 3.174 5.273 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.222 3.618 5.870 1.00 15.00 H new ATOM 259 N TYR A 297 0.351 0.210 4.053 1.00 15.00 N ATOM 260 CA TYR A 297 -0.397 -0.597 3.116 1.00 15.00 C ATOM 261 C TYR A 297 -0.322 0.008 1.748 1.00 15.00 C ATOM 262 O TYR A 297 -0.607 1.191 1.542 1.00 15.00 O ATOM 263 CB TYR A 297 -1.856 -0.817 3.556 1.00 15.00 C ATOM 264 CG TYR A 297 -2.788 0.369 3.424 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.940 1.274 4.463 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.548 0.559 2.271 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.819 2.334 4.361 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.423 1.621 2.163 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.556 2.505 3.210 1.00 15.00 C ATOM 270 OH TYR A 297 -5.430 3.566 3.107 1.00 15.00 O ATOM 0 H TYR A 297 0.393 1.205 3.834 1.00 15.00 H new ATOM 0 HA TYR A 297 0.061 -1.586 3.091 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.268 -1.641 2.973 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.854 -1.135 4.599 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.362 1.148 5.366 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.451 -0.135 1.450 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.928 3.027 5.182 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -5.001 1.758 1.261 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.871 3.543 2.232 1.00 15.00 H new ATOM 280 N PHE A 298 0.089 -0.802 0.821 1.00 15.00 N ATOM 281 CA PHE A 298 0.257 -0.363 -0.514 1.00 15.00 C ATOM 282 C PHE A 298 -0.935 -0.555 -1.374 1.00 15.00 C ATOM 283 O PHE A 298 -1.642 -1.552 -1.298 1.00 15.00 O ATOM 284 CB PHE A 298 1.447 -1.027 -1.126 1.00 15.00 C ATOM 285 CG PHE A 298 2.624 -0.196 -0.882 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.642 1.077 -1.407 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.685 -0.647 -0.131 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.704 1.895 -1.199 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.764 0.171 0.076 1.00 15.00 C ATOM 290 CZ PHE A 298 4.764 1.441 -0.465 1.00 15.00 C ATOM 0 H PHE A 298 0.315 -1.784 0.977 1.00 15.00 H new ATOM 0 HA PHE A 298 0.411 0.715 -0.457 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.589 -2.019 -0.696 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.295 -1.162 -2.197 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.803 1.427 -1.990 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.667 -1.640 0.293 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.712 2.894 -1.609 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.607 -0.174 0.657 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.615 2.086 -0.306 1.00 15.00 H new ATOM 300 N VAL A 299 -1.096 0.421 -2.222 1.00 15.00 N ATOM 301 CA VAL A 299 -2.073 0.400 -3.261 1.00 15.00 C ATOM 302 C VAL A 299 -1.403 0.971 -4.508 1.00 15.00 C ATOM 303 O VAL A 299 -1.290 2.182 -4.708 1.00 15.00 O ATOM 304 CB VAL A 299 -3.375 1.155 -2.863 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.151 0.371 -1.811 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.083 2.546 -2.326 1.00 15.00 C ATOM 0 H VAL A 299 -0.535 1.273 -2.205 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.408 -0.619 -3.456 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.973 1.251 -3.769 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.057 0.916 -1.546 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.419 -0.607 -2.210 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.532 0.243 -0.923 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.019 3.037 -2.061 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.450 2.469 -1.442 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.570 3.131 -3.090 1.00 15.00 H new ATOM 316 N ASP A 300 -0.853 0.073 -5.298 1.00 15.00 N ATOM 317 CA ASP A 300 -0.055 0.459 -6.446 1.00 15.00 C ATOM 318 C ASP A 300 -0.937 0.603 -7.669 1.00 15.00 C ATOM 319 O ASP A 300 -1.785 -0.254 -7.928 1.00 15.00 O ATOM 320 CB ASP A 300 1.060 -0.563 -6.690 1.00 15.00 C ATOM 321 CG ASP A 300 1.506 -0.592 -8.136 1.00 15.00 C ATOM 322 OD1 ASP A 300 2.105 0.399 -8.602 1.00 15.00 O ATOM 323 OD2 ASP A 300 1.236 -1.596 -8.819 1.00 15.00 O1- ATOM 0 H ASP A 300 -0.944 -0.934 -5.166 1.00 15.00 H new ATOM 0 HA ASP A 300 0.411 1.424 -6.244 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.913 -0.326 -6.054 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.711 -1.554 -6.400 1.00 15.00 H new ATOM 328 N HIS A 301 -0.712 1.688 -8.415 1.00 15.00 N ATOM 329 CA HIS A 301 -1.549 2.047 -9.559 1.00 15.00 C ATOM 330 C HIS A 301 -1.262 1.173 -10.776 1.00 15.00 C ATOM 331 O HIS A 301 -2.044 1.155 -11.727 1.00 15.00 O ATOM 332 CB HIS A 301 -1.343 3.518 -9.950 1.00 15.00 C ATOM 333 CG HIS A 301 -1.962 4.518 -9.017 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.318 4.754 -8.964 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.399 5.383 -8.136 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.562 5.728 -8.103 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.415 6.124 -7.581 1.00 15.00 N ATOM 0 H HIS A 301 0.054 2.339 -8.242 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.581 1.886 -9.248 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.273 3.715 -10.011 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.753 3.673 -10.948 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.346 5.473 -7.912 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.535 6.132 -7.867 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.302 6.858 -6.882 1.00 15.00 H new ATOM 346 N ASN A 302 -0.136 0.475 -10.762 1.00 15.00 N ATOM 347 CA ASN A 302 0.261 -0.350 -11.900 1.00 15.00 C ATOM 348 C ASN A 302 -0.475 -1.679 -11.874 1.00 15.00 C ATOM 349 O ASN A 302 -1.200 -2.027 -12.808 1.00 15.00 O ATOM 350 CB ASN A 302 1.774 -0.591 -11.895 1.00 15.00 C ATOM 351 CG ASN A 302 2.577 0.684 -12.062 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.886 1.095 -13.181 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.932 1.314 -10.953 1.00 15.00 N ATOM 0 H ASN A 302 0.519 0.461 -9.980 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.003 0.183 -12.813 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.057 -1.072 -10.959 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.029 -1.282 -12.698 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.481 2.172 -11.007 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.656 0.942 -10.044 1.00 15.00 H new ATOM 360 N ASN A 303 -0.289 -2.415 -10.795 1.00 15.00 N ATOM 361 CA ASN A 303 -0.932 -3.708 -10.623 1.00 15.00 C ATOM 362 C ASN A 303 -2.329 -3.534 -10.041 1.00 15.00 C ATOM 363 O ASN A 303 -3.131 -4.468 -10.038 1.00 15.00 O ATOM 364 CB ASN A 303 -0.098 -4.609 -9.707 1.00 15.00 C ATOM 365 CG ASN A 303 1.223 -5.044 -10.320 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.799 -4.358 -11.166 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.715 -6.194 -9.891 1.00 15.00 N ATOM 0 H ASN A 303 0.308 -2.138 -10.016 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.011 -4.180 -11.602 1.00 15.00 H new ATOM 0 HB2 ASN A 303 0.100 -4.081 -8.774 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.681 -5.495 -9.454 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.600 -6.540 -10.262 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.210 -6.735 -9.189 1.00 15.00 H new ATOM 374 N ARG A 304 -2.593 -2.335 -9.516 1.00 15.00 N ATOM 375 CA ARG A 304 -3.849 -2.029 -8.826 1.00 15.00 C ATOM 376 C ARG A 304 -4.035 -3.005 -7.675 1.00 15.00 C ATOM 377 O ARG A 304 -5.116 -3.552 -7.461 1.00 15.00 O ATOM 378 CB ARG A 304 -5.042 -2.085 -9.783 1.00 15.00 C ATOM 379 CG ARG A 304 -4.858 -1.231 -11.028 1.00 15.00 C ATOM 380 CD ARG A 304 -6.004 -1.402 -12.008 1.00 15.00 C ATOM 381 NE ARG A 304 -6.050 -2.752 -12.571 1.00 15.00 N ATOM 382 CZ ARG A 304 -6.349 -3.022 -13.841 1.00 15.00 C ATOM 383 NH1 ARG A 304 -6.600 -2.038 -14.699 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.381 -4.278 -14.259 1.00 15.00 N ATOM 0 H ARG A 304 -1.943 -1.550 -9.557 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.798 -1.012 -8.437 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.210 -3.120 -10.083 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.937 -1.757 -9.255 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.780 -0.183 -10.740 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -3.921 -1.498 -11.516 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.946 -1.188 -11.504 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -5.902 -0.676 -12.815 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.840 -3.535 -11.952 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -6.564 -1.068 -14.387 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -6.828 -2.253 -15.670 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.177 -5.037 -13.609 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -6.610 -4.486 -15.231 1.00 15.00 H new ATOM 398 N THR A 305 -2.969 -3.185 -6.911 1.00 15.00 N ATOM 399 CA THR A 305 -2.928 -4.244 -5.910 1.00 15.00 C ATOM 400 C THR A 305 -2.589 -3.709 -4.519 1.00 15.00 C ATOM 401 O THR A 305 -1.760 -2.807 -4.375 1.00 15.00 O ATOM 402 CB THR A 305 -1.909 -5.331 -6.321 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.284 -5.885 -7.588 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.831 -6.445 -5.289 1.00 15.00 C ATOM 0 H THR A 305 -2.124 -2.616 -6.963 1.00 15.00 H new ATOM 0 HA THR A 305 -3.926 -4.680 -5.860 1.00 15.00 H new ATOM 0 HB THR A 305 -0.928 -4.862 -6.389 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.736 -6.676 -7.774 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.105 -7.190 -5.612 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.523 -6.031 -4.329 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.810 -6.914 -5.185 1.00 15.00 H new ATOM 412 N THR A 306 -3.257 -4.265 -3.510 1.00 15.00 N ATOM 413 CA THR A 306 -3.001 -3.918 -2.121 1.00 15.00 C ATOM 414 C THR A 306 -1.939 -4.846 -1.518 1.00 15.00 C ATOM 415 O THR A 306 -2.094 -6.069 -1.518 1.00 15.00 O ATOM 416 CB THR A 306 -4.292 -4.006 -1.278 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.338 -3.234 -1.888 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.051 -3.498 0.136 1.00 15.00 C ATOM 0 H THR A 306 -3.988 -4.966 -3.636 1.00 15.00 H new ATOM 0 HA THR A 306 -2.637 -2.891 -2.103 1.00 15.00 H new ATOM 0 HB THR A 306 -4.592 -5.053 -1.231 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.971 -2.940 -1.200 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.974 -3.570 0.711 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.279 -4.102 0.613 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.727 -2.458 0.099 1.00 15.00 H new ATOM 426 N GLN A 307 -0.863 -4.254 -1.007 1.00 15.00 N ATOM 427 CA GLN A 307 0.247 -5.013 -0.433 1.00 15.00 C ATOM 428 C GLN A 307 0.521 -4.567 1.001 1.00 15.00 C ATOM 429 O GLN A 307 0.898 -3.428 1.229 1.00 15.00 O ATOM 430 CB GLN A 307 1.514 -4.800 -1.267 1.00 15.00 C ATOM 431 CG GLN A 307 1.390 -5.238 -2.714 1.00 15.00 C ATOM 432 CD GLN A 307 1.344 -6.743 -2.866 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.276 -7.352 -2.845 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.507 -7.354 -3.008 1.00 15.00 N ATOM 0 H GLN A 307 -0.735 -3.242 -0.978 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.028 -6.068 -0.436 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.778 -3.743 -1.241 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.336 -5.346 -0.804 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.487 -4.806 -3.144 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.233 -4.845 -3.282 1.00 15.00 H new ATOM 0 HE21 GLN A 307 3.370 -6.811 -3.020 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.541 -8.369 -3.105 1.00 15.00 H new ATOM 443 N PHE A 308 0.349 -5.457 1.968 1.00 15.00 N ATOM 444 CA PHE A 308 0.611 -5.104 3.365 1.00 15.00 C ATOM 445 C PHE A 308 2.106 -5.093 3.665 1.00 15.00 C ATOM 446 O PHE A 308 2.529 -4.668 4.737 1.00 15.00 O ATOM 447 CB PHE A 308 -0.102 -6.056 4.325 1.00 15.00 C ATOM 448 CG PHE A 308 -1.212 -5.404 5.112 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.210 -4.039 5.359 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.255 -6.162 5.613 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.229 -3.450 6.086 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.273 -5.583 6.335 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.264 -4.225 6.572 1.00 15.00 C ATOM 0 H PHE A 308 0.034 -6.416 1.820 1.00 15.00 H new ATOM 0 HA PHE A 308 0.218 -4.099 3.516 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.513 -6.890 3.757 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.628 -6.472 5.019 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.404 -3.429 4.979 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.270 -7.227 5.434 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.215 -2.386 6.273 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.079 -6.192 6.716 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.064 -3.768 7.136 1.00 15.00 H new ATOM 463 N THR A 309 2.902 -5.586 2.729 1.00 15.00 N ATOM 464 CA THR A 309 4.339 -5.652 2.923 1.00 15.00 C ATOM 465 C THR A 309 5.044 -4.484 2.219 1.00 15.00 C ATOM 466 O THR A 309 4.896 -4.286 1.009 1.00 15.00 O ATOM 467 CB THR A 309 4.900 -7.014 2.434 1.00 15.00 C ATOM 468 OG1 THR A 309 6.314 -7.078 2.631 1.00 15.00 O ATOM 469 CG2 THR A 309 4.576 -7.264 0.965 1.00 15.00 C ATOM 0 H THR A 309 2.577 -5.945 1.831 1.00 15.00 H new ATOM 0 HA THR A 309 4.538 -5.568 3.991 1.00 15.00 H new ATOM 0 HB THR A 309 4.417 -7.791 3.027 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.649 -7.944 2.318 1.00 15.00 H new ATOM 0 HG21 THR A 309 4.986 -8.227 0.661 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.495 -7.270 0.827 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.016 -6.474 0.356 1.00 15.00 H new ATOM 477 N ASP A 310 5.781 -3.693 2.995 1.00 15.00 N ATOM 478 CA ASP A 310 6.528 -2.556 2.457 1.00 15.00 C ATOM 479 C ASP A 310 7.988 -2.952 2.239 1.00 15.00 C ATOM 480 O ASP A 310 8.702 -3.286 3.189 1.00 15.00 O ATOM 481 CB ASP A 310 6.438 -1.361 3.417 1.00 15.00 C ATOM 482 CG ASP A 310 7.041 -0.083 2.857 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.206 -0.107 2.423 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 6.353 0.959 2.871 1.00 15.00 O ATOM 0 H ASP A 310 5.878 -3.818 4.003 1.00 15.00 H new ATOM 0 HA ASP A 310 6.094 -2.266 1.500 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.391 -1.181 3.663 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.945 -1.615 4.348 1.00 15.00 H new ATOM 489 N PRO A 311 8.449 -2.924 0.978 1.00 15.00 N ATOM 490 CA PRO A 311 9.804 -3.353 0.602 1.00 15.00 C ATOM 491 C PRO A 311 10.902 -2.423 1.122 1.00 15.00 C ATOM 492 O PRO A 311 12.081 -2.769 1.107 1.00 15.00 O ATOM 493 CB PRO A 311 9.769 -3.338 -0.929 1.00 15.00 C ATOM 494 CG PRO A 311 8.710 -2.348 -1.271 1.00 15.00 C ATOM 495 CD PRO A 311 7.673 -2.467 -0.189 1.00 15.00 C ATOM 0 HA PRO A 311 10.046 -4.324 1.034 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.733 -3.046 -1.345 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.534 -4.324 -1.330 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.118 -1.338 -1.312 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.280 -2.558 -2.250 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.182 -1.513 0.003 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.893 -3.179 -0.457 1.00 15.00 H new ATOM 503 N ARG A 312 10.513 -1.236 1.555 1.00 15.00 N ATOM 504 CA ARG A 312 11.462 -0.239 2.029 1.00 15.00 C ATOM 505 C ARG A 312 11.943 -0.555 3.449 1.00 15.00 C ATOM 506 O ARG A 312 13.041 -0.158 3.846 1.00 15.00 O ATOM 507 CB ARG A 312 10.811 1.147 1.954 1.00 15.00 C ATOM 508 CG ARG A 312 11.350 2.172 2.935 1.00 15.00 C ATOM 509 CD ARG A 312 10.454 3.397 2.975 1.00 15.00 C ATOM 510 NE ARG A 312 9.044 3.028 3.131 1.00 15.00 N ATOM 511 CZ ARG A 312 8.093 3.856 3.562 1.00 15.00 C ATOM 512 NH1 ARG A 312 8.399 5.091 3.940 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 6.834 3.442 3.625 1.00 15.00 N ATOM 0 H ARG A 312 9.539 -0.936 1.589 1.00 15.00 H new ATOM 0 HA ARG A 312 12.345 -0.254 1.390 1.00 15.00 H new ATOM 0 HB2 ARG A 312 10.937 1.535 0.943 1.00 15.00 H new ATOM 0 HB3 ARG A 312 9.740 1.036 2.122 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.417 1.731 3.930 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.360 2.463 2.647 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.755 4.042 3.800 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.581 3.972 2.058 1.00 15.00 H new ATOM 0 HE ARG A 312 8.773 2.074 2.894 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.367 5.411 3.902 1.00 15.00 H new ATOM 0 HH12 ARG A 312 7.666 5.720 4.269 1.00 15.00 H new ATOM 0 HH21 ARG A 312 6.595 2.491 3.344 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.105 4.075 3.955 1.00 15.00 H new ATOM 527 N LEU A 313 11.125 -1.277 4.209 1.00 15.00 N ATOM 528 CA LEU A 313 11.460 -1.590 5.596 1.00 15.00 C ATOM 529 C LEU A 313 12.399 -2.790 5.690 1.00 15.00 C ATOM 530 O LEU A 313 13.157 -2.918 6.654 1.00 15.00 O ATOM 531 CB LEU A 313 10.199 -1.846 6.434 1.00 15.00 C ATOM 532 CG LEU A 313 9.476 -0.594 6.955 1.00 15.00 C ATOM 533 CD1 LEU A 313 10.424 0.262 7.780 1.00 15.00 C ATOM 534 CD2 LEU A 313 8.884 0.216 5.815 1.00 15.00 C ATOM 0 H LEU A 313 10.232 -1.654 3.892 1.00 15.00 H new ATOM 0 HA LEU A 313 11.974 -0.718 6.000 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.497 -2.424 5.833 1.00 15.00 H new ATOM 0 HB3 LEU A 313 10.473 -2.466 7.288 1.00 15.00 H new ATOM 0 HG LEU A 313 8.655 -0.922 7.593 1.00 15.00 H new ATOM 0 HD11 LEU A 313 9.896 1.145 8.141 1.00 15.00 H new ATOM 0 HD12 LEU A 313 10.790 -0.315 8.629 1.00 15.00 H new ATOM 0 HD13 LEU A 313 11.267 0.571 7.162 1.00 15.00 H new ATOM 0 HD21 LEU A 313 8.380 1.095 6.217 1.00 15.00 H new ATOM 0 HD22 LEU A 313 9.680 0.531 5.141 1.00 15.00 H new ATOM 0 HD23 LEU A 313 8.167 -0.396 5.268 1.00 15.00 H new ATOM 546 N HIS A 314 12.332 -3.679 4.710 1.00 15.00 N ATOM 547 CA HIS A 314 13.207 -4.844 4.690 1.00 15.00 C ATOM 548 C HIS A 314 14.068 -4.853 3.433 1.00 15.00 C ATOM 549 O HIS A 314 13.523 -5.050 2.331 1.00 15.00 O ATOM 550 CB HIS A 314 12.419 -6.158 4.839 1.00 15.00 C ATOM 551 CG HIS A 314 11.305 -6.364 3.854 1.00 15.00 C ATOM 552 ND1 HIS A 314 9.999 -6.008 4.112 1.00 15.00 N ATOM 553 CD2 HIS A 314 11.300 -6.921 2.618 1.00 15.00 C ATOM 554 CE1 HIS A 314 9.242 -6.337 3.081 1.00 15.00 C ATOM 555 NE2 HIS A 314 10.006 -6.893 2.162 1.00 15.00 N ATOM 556 OXT HIS A 314 15.294 -4.654 3.557 1.00 15.00 O ATOM 0 H HIS A 314 11.686 -3.618 3.923 1.00 15.00 H new ATOM 0 HA HIS A 314 13.868 -4.772 5.553 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.117 -6.991 4.750 1.00 15.00 H new ATOM 0 HB3 HIS A 314 12.002 -6.198 5.845 1.00 15.00 H new ATOM 0 HD2 HIS A 314 12.156 -7.314 2.090 1.00 15.00 H new ATOM 0 HE1 HIS A 314 8.177 -6.177 3.004 1.00 15.00 H new ATOM 0 HE2 HIS A 314 9.687 -7.245 1.259 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.009 -13.433 5.061 1.00 15.00 N ATOM 567 CA GLU B 203 1.566 -12.284 5.810 1.00 15.00 C ATOM 568 C GLU B 203 1.105 -12.289 7.267 1.00 15.00 C ATOM 569 O GLU B 203 1.545 -11.451 8.056 1.00 15.00 O ATOM 570 CB GLU B 203 1.149 -10.969 5.147 1.00 15.00 C ATOM 571 CG GLU B 203 1.541 -10.875 3.682 1.00 15.00 C ATOM 572 CD GLU B 203 3.010 -11.167 3.457 1.00 15.00 C ATOM 573 OE1 GLU B 203 3.360 -12.353 3.294 1.00 15.00 O ATOM 574 OE2 GLU B 203 3.816 -10.217 3.454 1.00 15.00 O1- ATOM 0 HA GLU B 203 2.652 -12.375 5.794 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.068 -10.855 5.233 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.601 -10.139 5.689 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.941 -11.577 3.103 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.311 -9.876 3.311 1.00 15.00 H new ATOM 583 N LEU B 204 0.218 -13.231 7.621 1.00 15.00 N ATOM 584 CA LEU B 204 -0.345 -13.314 8.977 1.00 15.00 C ATOM 585 C LEU B 204 -1.160 -12.062 9.299 1.00 15.00 C ATOM 586 O LEU B 204 -1.434 -11.766 10.460 1.00 15.00 O ATOM 587 CB LEU B 204 0.753 -13.494 10.041 1.00 15.00 C ATOM 588 CG LEU B 204 1.464 -14.853 10.069 1.00 15.00 C ATOM 589 CD1 LEU B 204 2.522 -14.948 8.982 1.00 15.00 C ATOM 590 CD2 LEU B 204 2.082 -15.093 11.437 1.00 15.00 C ATOM 0 H LEU B 204 -0.126 -13.949 6.984 1.00 15.00 H new ATOM 0 HA LEU B 204 -0.994 -14.189 9.000 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.505 -12.719 9.890 1.00 15.00 H new ATOM 0 HB3 LEU B 204 0.309 -13.321 11.021 1.00 15.00 H new ATOM 0 HG LEU B 204 0.721 -15.627 9.876 1.00 15.00 H new ATOM 0 HD11 LEU B 204 3.006 -15.923 9.030 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.053 -14.823 8.006 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.266 -14.166 9.129 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.584 -16.061 11.445 1.00 15.00 H new ATOM 0 HD22 LEU B 204 2.806 -14.307 11.652 1.00 15.00 H new ATOM 0 HD23 LEU B 204 1.300 -15.084 12.196 1.00 15.00 H new ATOM 602 N GLU B 205 -1.585 -11.358 8.263 1.00 15.00 N ATOM 603 CA GLU B 205 -2.238 -10.072 8.432 1.00 15.00 C ATOM 604 C GLU B 205 -3.745 -10.170 8.279 1.00 15.00 C ATOM 605 O GLU B 205 -4.254 -10.909 7.434 1.00 15.00 O ATOM 606 CB GLU B 205 -1.686 -9.072 7.419 1.00 15.00 C ATOM 607 CG GLU B 205 -0.320 -8.530 7.794 1.00 15.00 C ATOM 608 CD GLU B 205 -0.325 -7.919 9.177 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.227 -7.108 9.467 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.546 -8.276 9.996 1.00 15.00 O ATOM 0 H GLU B 205 -1.489 -11.658 7.293 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.029 -9.732 9.446 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.623 -9.552 6.442 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.385 -8.241 7.321 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.415 -9.334 7.753 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -0.013 -7.780 7.065 1.00 15.00 H new ATOM 617 N SER B 206 -4.448 -9.412 9.111 1.00 15.00 N ATOM 618 CA SER B 206 -5.877 -9.209 8.955 1.00 15.00 C ATOM 619 C SER B 206 -6.144 -8.548 7.598 1.00 15.00 C ATOM 620 O SER B 206 -5.257 -7.888 7.058 1.00 15.00 O ATOM 621 CB SER B 206 -6.377 -8.327 10.102 1.00 15.00 C ATOM 622 OG SER B 206 -5.923 -8.827 11.348 1.00 15.00 O ATOM 0 H SER B 206 -4.043 -8.923 9.909 1.00 15.00 H new ATOM 0 HA SER B 206 -6.407 -10.161 8.986 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.024 -7.305 9.963 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.466 -8.292 10.093 1.00 15.00 H new ATOM 0 HG SER B 206 -6.250 -8.251 12.070 1.00 15.00 H new ATOM 628 N PRO B 207 -7.369 -8.686 7.054 1.00 15.00 N ATOM 629 CA PRO B 207 -7.690 -8.286 5.675 1.00 15.00 C ATOM 630 C PRO B 207 -7.219 -6.877 5.297 1.00 15.00 C ATOM 631 O PRO B 207 -7.606 -5.884 5.917 1.00 15.00 O ATOM 632 CB PRO B 207 -9.225 -8.355 5.621 1.00 15.00 C ATOM 633 CG PRO B 207 -9.675 -8.553 7.032 1.00 15.00 C ATOM 634 CD PRO B 207 -8.544 -9.242 7.731 1.00 15.00 C ATOM 0 HA PRO B 207 -7.179 -8.937 4.966 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.643 -7.439 5.202 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.557 -9.176 4.986 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.904 -7.599 7.506 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.583 -9.155 7.072 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.536 -9.028 8.800 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.600 -10.325 7.624 1.00 15.00 H new ATOM 642 N PRO B 208 -6.347 -6.807 4.275 1.00 15.00 N ATOM 643 CA PRO B 208 -5.896 -5.546 3.669 1.00 15.00 C ATOM 644 C PRO B 208 -7.045 -4.695 3.127 1.00 15.00 C ATOM 645 O PRO B 208 -8.065 -5.221 2.670 1.00 15.00 O ATOM 646 CB PRO B 208 -5.005 -6.007 2.511 1.00 15.00 C ATOM 647 CG PRO B 208 -4.560 -7.376 2.879 1.00 15.00 C ATOM 648 CD PRO B 208 -5.677 -7.975 3.682 1.00 15.00 C ATOM 0 HA PRO B 208 -5.395 -4.914 4.402 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.555 -6.012 1.570 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.154 -5.339 2.380 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.357 -7.972 1.989 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.637 -7.343 3.459 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.357 -8.551 3.054 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.300 -8.652 4.448 1.00 15.00 H new ATOM 656 N PRO B 209 -6.862 -3.364 3.135 1.00 15.00 N ATOM 657 CA PRO B 209 -7.863 -2.407 2.654 1.00 15.00 C ATOM 658 C PRO B 209 -8.066 -2.512 1.140 1.00 15.00 C ATOM 659 O PRO B 209 -7.100 -2.467 0.375 1.00 15.00 O ATOM 660 CB PRO B 209 -7.260 -1.034 3.024 1.00 15.00 C ATOM 661 CG PRO B 209 -6.149 -1.329 3.969 1.00 15.00 C ATOM 662 CD PRO B 209 -5.647 -2.687 3.598 1.00 15.00 C ATOM 0 HA PRO B 209 -8.845 -2.582 3.094 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.894 -0.515 2.138 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.007 -0.389 3.486 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.358 -0.584 3.887 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.499 -1.310 5.001 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.888 -2.639 2.817 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.197 -3.199 4.449 1.00 15.00 H new ATOM 670 N PRO B 210 -9.326 -2.671 0.692 1.00 15.00 N ATOM 671 CA PRO B 210 -9.663 -2.765 -0.737 1.00 15.00 C ATOM 672 C PRO B 210 -9.135 -1.565 -1.519 1.00 15.00 C ATOM 673 O PRO B 210 -9.262 -0.421 -1.069 1.00 15.00 O ATOM 674 CB PRO B 210 -11.198 -2.792 -0.753 1.00 15.00 C ATOM 675 CG PRO B 210 -11.621 -2.348 0.609 1.00 15.00 C ATOM 676 CD PRO B 210 -10.523 -2.764 1.540 1.00 15.00 C ATOM 0 HA PRO B 210 -9.216 -3.640 -1.209 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.594 -2.129 -1.522 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.570 -3.793 -0.972 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.769 -1.269 0.639 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.568 -2.808 0.893 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.457 -2.107 2.407 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.674 -3.775 1.918 1.00 15.00 H new ATOM 684 N TYR B 211 -8.552 -1.823 -2.691 1.00 15.00 N ATOM 685 CA TYR B 211 -7.889 -0.773 -3.453 1.00 15.00 C ATOM 686 C TYR B 211 -8.859 0.327 -3.867 1.00 15.00 C ATOM 687 O TYR B 211 -9.646 0.178 -4.804 1.00 15.00 O ATOM 688 CB TYR B 211 -7.152 -1.327 -4.689 1.00 15.00 C ATOM 689 CG TYR B 211 -6.411 -0.253 -5.479 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.945 0.886 -4.839 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.167 -0.373 -6.851 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.269 1.871 -5.522 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.484 0.623 -7.538 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.044 1.733 -6.865 1.00 15.00 C ATOM 695 OH TYR B 211 -4.364 2.711 -7.538 1.00 15.00 O ATOM 0 H TYR B 211 -8.527 -2.744 -3.128 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.145 -0.339 -2.786 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.441 -2.089 -4.369 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.872 -1.818 -5.343 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -6.117 1.003 -3.779 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.513 -1.248 -7.381 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.918 2.749 -5.001 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.301 0.523 -8.598 1.00 15.00 H new ATOM 0 HH TYR B 211 -5.002 3.351 -7.918 1.00 15.00 H new ATOM 705 N SER B 212 -8.818 1.411 -3.116 1.00 15.00 N ATOM 706 CA SER B 212 -9.419 2.657 -3.530 1.00 15.00 C ATOM 707 C SER B 212 -8.349 3.417 -4.295 1.00 15.00 C ATOM 708 O SER B 212 -7.261 3.633 -3.764 1.00 15.00 O ATOM 709 CB SER B 212 -9.885 3.439 -2.304 1.00 15.00 C ATOM 710 OG SER B 212 -10.623 2.597 -1.428 1.00 15.00 O ATOM 0 H SER B 212 -8.366 1.449 -2.202 1.00 15.00 H new ATOM 0 HA SER B 212 -10.294 2.496 -4.159 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.023 3.853 -1.780 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.503 4.281 -2.616 1.00 15.00 H new ATOM 0 HG SER B 212 -10.913 3.112 -0.646 1.00 15.00 H new ATOM 716 N ARG B 213 -8.642 3.814 -5.527 1.00 15.00 N ATOM 717 CA ARG B 213 -7.595 4.275 -6.435 1.00 15.00 C ATOM 718 C ARG B 213 -6.860 5.476 -5.872 1.00 15.00 C ATOM 719 O ARG B 213 -5.641 5.566 -5.978 1.00 15.00 O ATOM 720 CB ARG B 213 -8.169 4.617 -7.805 1.00 15.00 C ATOM 721 CG ARG B 213 -8.923 3.468 -8.443 1.00 15.00 C ATOM 722 CD ARG B 213 -9.498 3.861 -9.789 1.00 15.00 C ATOM 723 NE ARG B 213 -10.452 2.868 -10.266 1.00 15.00 N ATOM 724 CZ ARG B 213 -10.486 2.400 -11.509 1.00 15.00 C ATOM 725 NH1 ARG B 213 -9.636 2.858 -12.423 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -11.373 1.468 -11.833 1.00 15.00 N ATOM 0 H ARG B 213 -9.584 3.827 -5.919 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.884 3.456 -6.545 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.838 5.472 -7.708 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.357 4.921 -8.466 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.254 2.616 -8.566 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.728 3.148 -7.782 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.989 4.831 -9.708 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.691 3.971 -10.514 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.138 2.509 -9.602 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.953 3.573 -12.172 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.667 2.495 -13.376 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.023 1.116 -11.130 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.405 1.104 -12.785 1.00 15.00 H new ATOM 740 N TYR B 214 -7.601 6.407 -5.298 1.00 15.00 N ATOM 741 CA TYR B 214 -6.988 7.559 -4.669 1.00 15.00 C ATOM 742 C TYR B 214 -7.355 7.616 -3.195 1.00 15.00 C ATOM 743 O TYR B 214 -8.419 8.113 -2.823 1.00 15.00 O ATOM 744 CB TYR B 214 -7.353 8.852 -5.408 1.00 15.00 C ATOM 745 CG TYR B 214 -6.686 8.943 -6.766 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.056 8.092 -7.799 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.666 9.855 -7.004 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.433 8.141 -9.027 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.040 9.918 -8.235 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.426 9.057 -9.243 1.00 15.00 C ATOM 751 OH TYR B 214 -4.796 9.105 -10.465 1.00 15.00 O ATOM 0 H TYR B 214 -8.620 6.387 -5.255 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.905 7.456 -4.733 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.435 8.905 -5.532 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.060 9.710 -4.803 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.849 7.377 -7.636 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.357 10.525 -6.215 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.732 7.466 -9.815 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.253 10.637 -8.407 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.111 9.806 -10.453 1.00 15.00 H new ATOM 761 N PRO B 215 -6.502 7.016 -2.352 1.00 15.00 N ATOM 762 CA PRO B 215 -6.661 7.003 -0.910 1.00 15.00 C ATOM 763 C PRO B 215 -5.883 8.136 -0.243 1.00 15.00 C ATOM 764 O PRO B 215 -4.884 8.623 -0.783 1.00 15.00 O ATOM 765 CB PRO B 215 -6.077 5.638 -0.529 1.00 15.00 C ATOM 766 CG PRO B 215 -5.137 5.262 -1.638 1.00 15.00 C ATOM 767 CD PRO B 215 -5.305 6.271 -2.748 1.00 15.00 C ATOM 0 HA PRO B 215 -7.693 7.147 -0.591 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.552 5.691 0.425 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.866 4.894 -0.418 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.107 5.256 -1.280 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.355 4.257 -1.999 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.436 6.923 -2.833 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.435 5.786 -3.715 1.00 15.00 H new ATOM 775 N MET B 216 -6.322 8.535 0.939 1.00 15.00 N ATOM 776 CA MET B 216 -5.731 9.673 1.628 1.00 15.00 C ATOM 777 C MET B 216 -4.982 9.238 2.883 1.00 15.00 C ATOM 778 O MET B 216 -5.449 8.374 3.626 1.00 15.00 O ATOM 779 CB MET B 216 -6.811 10.703 1.986 1.00 15.00 C ATOM 780 CG MET B 216 -7.401 11.417 0.774 1.00 15.00 C ATOM 781 SD MET B 216 -8.422 10.341 -0.255 1.00 15.00 S ATOM 782 CE MET B 216 -8.603 11.344 -1.727 1.00 15.00 C ATOM 0 H MET B 216 -7.087 8.087 1.443 1.00 15.00 H new ATOM 0 HA MET B 216 -5.012 10.133 0.950 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.613 10.202 2.528 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.384 11.444 2.662 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.001 12.261 1.114 1.00 15.00 H new ATOM 0 HG3 MET B 216 -6.590 11.825 0.170 1.00 15.00 H new ATOM 0 HE1 MET B 216 -9.212 10.811 -2.458 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.088 12.285 -1.468 1.00 15.00 H new ATOM 0 HE3 MET B 216 -7.620 11.547 -2.152 1.00 15.00 H new ATOM 792 N ASP B 217 -3.829 9.874 3.096 1.00 15.00 N ATOM 793 CA ASP B 217 -2.965 9.644 4.262 1.00 15.00 C ATOM 794 C ASP B 217 -2.237 8.306 4.169 1.00 15.00 C ATOM 795 O ASP B 217 -1.066 8.308 3.735 1.00 15.00 O ATOM 796 CB ASP B 217 -3.736 9.740 5.581 1.00 15.00 C ATOM 797 CG ASP B 217 -2.802 9.908 6.762 1.00 15.00 C ATOM 798 OD1 ASP B 217 -2.304 11.037 6.966 1.00 15.00 O ATOM 799 OD2 ASP B 217 -2.544 8.923 7.484 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -2.823 7.264 4.511 1.00 15.00 O ATOM 0 H ASP B 217 -3.460 10.576 2.454 1.00 15.00 H new ATOM 0 HA ASP B 217 -2.221 10.440 4.253 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -4.426 10.583 5.539 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -4.338 8.842 5.717 1.00 15.00 H new TER 805 ASP B 217