USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 292 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 HE2:sc=-0.00751! C(o=0.23!,f=-9.9!) USER MOD Set 1.2: B 211 TYR OH : rot 24:sc= 0.241! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -150:sc= -1.23 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= 1.29 K(o=1.3,f=-0.085) USER MOD Single : A 303 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 305 THR OG1 : rot -170:sc= -0.163 USER MOD Single : A 306 THR OG1 : rot -160:sc= 0.654 USER MOD Single : A 307 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00653 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 9.364 5.351 -6.035 1.00 15.00 N ATOM 44 CA PRO A 283 8.737 5.618 -7.337 1.00 15.00 C ATOM 45 C PRO A 283 7.373 6.300 -7.191 1.00 15.00 C ATOM 46 O PRO A 283 6.569 5.898 -6.349 1.00 15.00 O ATOM 47 CB PRO A 283 8.561 4.221 -7.948 1.00 15.00 C ATOM 48 CG PRO A 283 9.529 3.355 -7.221 1.00 15.00 C ATOM 49 CD PRO A 283 9.619 3.918 -5.833 1.00 15.00 C ATOM 0 HA PRO A 283 9.340 6.292 -7.945 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.540 3.862 -7.823 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.767 4.230 -9.018 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.189 2.319 -7.202 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.503 3.362 -7.710 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.883 3.468 -5.167 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.599 3.742 -5.390 1.00 15.00 H new ATOM 57 N PRO A 284 7.083 7.333 -8.013 1.00 15.00 N ATOM 58 CA PRO A 284 5.789 8.039 -7.981 1.00 15.00 C ATOM 59 C PRO A 284 4.591 7.135 -8.292 1.00 15.00 C ATOM 60 O PRO A 284 3.439 7.565 -8.201 1.00 15.00 O ATOM 61 CB PRO A 284 5.924 9.114 -9.064 1.00 15.00 C ATOM 62 CG PRO A 284 7.387 9.267 -9.288 1.00 15.00 C ATOM 63 CD PRO A 284 7.999 7.926 -9.007 1.00 15.00 C ATOM 0 HA PRO A 284 5.592 8.432 -6.984 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.415 8.815 -9.980 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.475 10.054 -8.743 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.593 9.582 -10.311 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.803 10.030 -8.630 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.063 7.317 -9.908 1.00 15.00 H new ATOM 0 HD3 PRO A 284 9.011 8.021 -8.614 1.00 15.00 H new ATOM 71 N GLY A 285 4.866 5.897 -8.682 1.00 15.00 N ATOM 72 CA GLY A 285 3.804 4.943 -8.933 1.00 15.00 C ATOM 73 C GLY A 285 3.367 4.243 -7.662 1.00 15.00 C ATOM 74 O GLY A 285 2.299 3.634 -7.611 1.00 15.00 O ATOM 0 H GLY A 285 5.809 5.536 -8.829 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.951 5.456 -9.377 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.143 4.203 -9.658 1.00 15.00 H new ATOM 78 N TRP A 286 4.195 4.347 -6.629 1.00 15.00 N ATOM 79 CA TRP A 286 3.907 3.720 -5.351 1.00 15.00 C ATOM 80 C TRP A 286 3.125 4.662 -4.454 1.00 15.00 C ATOM 81 O TRP A 286 3.670 5.644 -3.945 1.00 15.00 O ATOM 82 CB TRP A 286 5.211 3.263 -4.675 1.00 15.00 C ATOM 83 CG TRP A 286 5.654 1.929 -5.181 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.049 1.629 -6.454 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.706 0.704 -4.442 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.311 0.288 -6.561 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.106 -0.304 -5.347 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.445 0.345 -3.112 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.237 -1.637 -4.971 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.574 -0.979 -2.752 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.955 -1.958 -3.675 1.00 15.00 C ATOM 0 H TRP A 286 5.075 4.863 -6.655 1.00 15.00 H new ATOM 0 HA TRP A 286 3.288 2.840 -5.526 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.993 4.000 -4.857 1.00 15.00 H new ATOM 0 HB3 TRP A 286 5.064 3.213 -3.596 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.141 2.344 -7.258 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.611 -0.191 -7.410 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.150 1.089 -2.387 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.550 -2.390 -5.679 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.376 -1.268 -1.730 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.027 -2.987 -3.356 1.00 15.00 H new ATOM 102 N GLU A 287 1.836 4.382 -4.286 1.00 15.00 N ATOM 103 CA GLU A 287 1.007 5.199 -3.431 1.00 15.00 C ATOM 104 C GLU A 287 1.057 4.630 -2.016 1.00 15.00 C ATOM 105 O GLU A 287 0.462 3.590 -1.727 1.00 15.00 O ATOM 106 CB GLU A 287 -0.414 5.228 -3.992 1.00 15.00 C ATOM 107 CG GLU A 287 -1.441 5.928 -3.119 1.00 15.00 C ATOM 108 CD GLU A 287 -1.308 7.431 -3.164 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.714 8.035 -4.176 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.795 8.017 -2.190 1.00 15.00 O ATOM 0 H GLU A 287 1.354 3.601 -4.730 1.00 15.00 H new ATOM 0 HA GLU A 287 1.368 6.227 -3.395 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.393 5.719 -4.965 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.742 4.202 -4.159 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.442 5.645 -3.443 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.331 5.587 -2.090 1.00 15.00 H new ATOM 117 N VAL A 288 1.832 5.287 -1.163 1.00 15.00 N ATOM 118 CA VAL A 288 2.096 4.787 0.174 1.00 15.00 C ATOM 119 C VAL A 288 1.109 5.362 1.184 1.00 15.00 C ATOM 120 O VAL A 288 1.059 6.570 1.420 1.00 15.00 O ATOM 121 CB VAL A 288 3.555 5.084 0.605 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.883 6.568 0.492 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.812 4.581 2.016 1.00 15.00 C ATOM 0 H VAL A 288 2.290 6.173 -1.378 1.00 15.00 H new ATOM 0 HA VAL A 288 1.963 3.705 0.151 1.00 15.00 H new ATOM 0 HB VAL A 288 4.215 4.549 -0.078 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.914 6.737 0.803 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.758 6.891 -0.542 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.212 7.139 1.134 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.842 4.800 2.298 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.133 5.078 2.709 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.646 3.504 2.054 1.00 15.00 H new ATOM 133 N ARG A 289 0.307 4.481 1.760 1.00 15.00 N ATOM 134 CA ARG A 289 -0.706 4.878 2.718 1.00 15.00 C ATOM 135 C ARG A 289 -0.600 4.032 3.983 1.00 15.00 C ATOM 136 O ARG A 289 -0.194 2.872 3.933 1.00 15.00 O ATOM 137 CB ARG A 289 -2.094 4.745 2.085 1.00 15.00 C ATOM 138 CG ARG A 289 -2.334 5.732 0.956 1.00 15.00 C ATOM 139 CD ARG A 289 -2.073 7.166 1.402 1.00 15.00 C ATOM 140 NE ARG A 289 -1.957 8.084 0.271 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.228 9.385 0.328 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.537 9.961 1.484 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.143 10.118 -0.773 1.00 15.00 N ATOM 0 H ARG A 289 0.341 3.478 1.577 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.549 5.920 2.997 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.217 3.731 1.705 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.852 4.891 2.854 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.686 5.488 0.114 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.362 5.641 0.604 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.883 7.495 2.053 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.156 7.200 1.991 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.647 7.701 -0.622 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.568 9.405 2.339 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.743 10.959 1.517 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.872 9.684 -1.655 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.349 11.116 -0.738 1.00 15.00 H new ATOM 157 N SER A 290 -0.975 4.614 5.110 1.00 15.00 N ATOM 158 CA SER A 290 -0.844 3.948 6.396 1.00 15.00 C ATOM 159 C SER A 290 -2.187 3.867 7.115 1.00 15.00 C ATOM 160 O SER A 290 -2.964 4.818 7.100 1.00 15.00 O ATOM 161 CB SER A 290 0.164 4.715 7.257 1.00 15.00 C ATOM 162 OG SER A 290 -0.143 6.101 7.280 1.00 15.00 O ATOM 0 H SER A 290 -1.375 5.551 5.160 1.00 15.00 H new ATOM 0 HA SER A 290 -0.493 2.930 6.228 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.156 4.320 8.273 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.170 4.567 6.865 1.00 15.00 H new ATOM 0 HG SER A 290 0.512 6.572 7.837 1.00 15.00 H new ATOM 168 N THR A 291 -2.458 2.735 7.746 1.00 15.00 N ATOM 169 CA THR A 291 -3.635 2.609 8.588 1.00 15.00 C ATOM 170 C THR A 291 -3.261 2.932 10.034 1.00 15.00 C ATOM 171 O THR A 291 -2.139 2.649 10.463 1.00 15.00 O ATOM 172 CB THR A 291 -4.264 1.200 8.500 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.235 0.200 8.498 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.126 1.060 7.248 1.00 15.00 C ATOM 0 H THR A 291 -1.882 1.895 7.691 1.00 15.00 H new ATOM 0 HA THR A 291 -4.383 3.317 8.231 1.00 15.00 H new ATOM 0 HB THR A 291 -4.902 1.060 9.372 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.539 -0.581 7.990 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.556 0.059 7.212 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.928 1.798 7.274 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.511 1.223 6.363 1.00 15.00 H new ATOM 182 N VAL A 292 -4.197 3.519 10.778 1.00 15.00 N ATOM 183 CA VAL A 292 -3.925 4.006 12.133 1.00 15.00 C ATOM 184 C VAL A 292 -3.503 2.867 13.065 1.00 15.00 C ATOM 185 O VAL A 292 -2.879 3.091 14.105 1.00 15.00 O ATOM 186 CB VAL A 292 -5.154 4.739 12.717 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.837 5.369 14.067 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.647 5.796 11.741 1.00 15.00 C ATOM 0 H VAL A 292 -5.156 3.670 10.465 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.098 4.712 12.060 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.942 4.002 12.872 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.723 5.876 14.449 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.533 4.592 14.769 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -4.028 6.090 13.951 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.513 6.306 12.163 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.853 6.520 11.558 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.928 5.321 10.801 1.00 15.00 H new ATOM 198 N SER A 293 -3.825 1.642 12.667 1.00 15.00 N ATOM 199 CA SER A 293 -3.406 0.451 13.395 1.00 15.00 C ATOM 200 C SER A 293 -1.881 0.342 13.458 1.00 15.00 C ATOM 201 O SER A 293 -1.332 -0.438 14.236 1.00 15.00 O ATOM 202 CB SER A 293 -3.983 -0.789 12.715 1.00 15.00 C ATOM 203 OG SER A 293 -5.377 -0.643 12.508 1.00 15.00 O ATOM 0 H SER A 293 -4.381 1.447 11.835 1.00 15.00 H new ATOM 0 HA SER A 293 -3.780 0.525 14.416 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.483 -0.952 11.760 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.792 -1.669 13.329 1.00 15.00 H new ATOM 0 HG SER A 293 -5.729 -1.446 12.070 1.00 15.00 H new ATOM 209 N GLY A 294 -1.204 1.122 12.627 1.00 15.00 N ATOM 210 CA GLY A 294 0.234 1.037 12.535 1.00 15.00 C ATOM 211 C GLY A 294 0.659 0.034 11.487 1.00 15.00 C ATOM 212 O GLY A 294 1.701 -0.608 11.606 1.00 15.00 O ATOM 0 H GLY A 294 -1.631 1.815 12.013 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.643 2.017 12.291 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.646 0.752 13.503 1.00 15.00 H new ATOM 216 N ARG A 295 -0.165 -0.102 10.458 1.00 15.00 N ATOM 217 CA ARG A 295 0.138 -0.988 9.346 1.00 15.00 C ATOM 218 C ARG A 295 0.337 -0.174 8.081 1.00 15.00 C ATOM 219 O ARG A 295 -0.474 0.698 7.754 1.00 15.00 O ATOM 220 CB ARG A 295 -0.986 -2.008 9.130 1.00 15.00 C ATOM 221 CG ARG A 295 -1.102 -3.048 10.229 1.00 15.00 C ATOM 222 CD ARG A 295 -2.166 -4.090 9.903 1.00 15.00 C ATOM 223 NE ARG A 295 -3.503 -3.501 9.790 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.611 -4.216 9.578 1.00 15.00 C ATOM 225 NH1 ARG A 295 -4.545 -5.541 9.518 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.784 -3.611 9.438 1.00 15.00 N ATOM 0 H ARG A 295 -1.053 0.393 10.371 1.00 15.00 H new ATOM 0 HA ARG A 295 1.053 -1.531 9.583 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.934 -1.476 9.048 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.822 -2.516 8.180 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.140 -3.541 10.368 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.348 -2.558 11.171 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.910 -4.587 8.968 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -2.173 -4.855 10.679 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.592 -2.489 9.878 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -3.648 -6.013 9.634 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -5.391 -6.087 9.356 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.843 -2.594 9.492 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.626 -4.163 9.276 1.00 15.00 H new ATOM 240 N ILE A 296 1.400 -0.474 7.360 1.00 15.00 N ATOM 241 CA ILE A 296 1.643 0.167 6.086 1.00 15.00 C ATOM 242 C ILE A 296 0.969 -0.664 5.009 1.00 15.00 C ATOM 243 O ILE A 296 0.914 -1.890 5.114 1.00 15.00 O ATOM 244 CB ILE A 296 3.161 0.313 5.790 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.389 1.250 4.602 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.805 -1.043 5.524 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.958 2.676 4.867 1.00 15.00 C ATOM 0 H ILE A 296 2.107 -1.156 7.635 1.00 15.00 H new ATOM 0 HA ILE A 296 1.232 1.176 6.108 1.00 15.00 H new ATOM 0 HB ILE A 296 3.632 0.744 6.673 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.447 1.241 4.340 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.844 0.868 3.739 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.867 -0.908 5.320 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.682 -1.682 6.398 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.327 -1.510 4.663 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.149 3.284 3.983 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.893 2.697 5.099 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.521 3.076 5.710 1.00 15.00 H new ATOM 259 N TYR A 297 0.430 -0.014 3.998 1.00 15.00 N ATOM 260 CA TYR A 297 -0.344 -0.727 3.006 1.00 15.00 C ATOM 261 C TYR A 297 -0.235 -0.029 1.682 1.00 15.00 C ATOM 262 O TYR A 297 -0.407 1.187 1.569 1.00 15.00 O ATOM 263 CB TYR A 297 -1.814 -0.907 3.424 1.00 15.00 C ATOM 264 CG TYR A 297 -2.675 0.337 3.380 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.773 1.173 4.482 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.418 0.656 2.245 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.584 2.292 4.459 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.226 1.776 2.216 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.306 2.589 3.327 1.00 15.00 C ATOM 270 OH TYR A 297 -5.111 3.708 3.307 1.00 15.00 O ATOM 0 H TYR A 297 0.512 0.991 3.843 1.00 15.00 H new ATOM 0 HA TYR A 297 0.071 -1.731 2.916 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.265 -1.660 2.777 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.836 -1.304 4.439 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.206 0.946 5.373 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.361 0.018 1.375 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.650 2.931 5.327 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.792 2.014 1.328 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.553 3.778 2.435 1.00 15.00 H new ATOM 280 N PHE A 298 0.065 -0.804 0.686 1.00 15.00 N ATOM 281 CA PHE A 298 0.292 -0.280 -0.617 1.00 15.00 C ATOM 282 C PHE A 298 -0.862 -0.426 -1.539 1.00 15.00 C ATOM 283 O PHE A 298 -1.565 -1.430 -1.543 1.00 15.00 O ATOM 284 CB PHE A 298 1.500 -0.927 -1.223 1.00 15.00 C ATOM 285 CG PHE A 298 2.702 -0.157 -0.896 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.795 1.142 -1.350 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.729 -0.701 -0.156 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.895 1.892 -1.080 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.848 0.046 0.108 1.00 15.00 C ATOM 290 CZ PHE A 298 4.920 1.342 -0.359 1.00 15.00 C ATOM 0 H PHE A 298 0.158 -1.817 0.758 1.00 15.00 H new ATOM 0 HA PHE A 298 0.448 0.791 -0.486 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.600 -1.947 -0.852 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.383 -0.991 -2.305 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.986 1.567 -1.925 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.653 -1.712 0.215 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.960 2.911 -1.431 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.664 -0.376 0.676 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.800 1.933 -0.152 1.00 15.00 H new ATOM 300 N VAL A 299 -0.999 0.591 -2.348 1.00 15.00 N ATOM 301 CA VAL A 299 -1.881 0.553 -3.475 1.00 15.00 C ATOM 302 C VAL A 299 -1.115 1.091 -4.685 1.00 15.00 C ATOM 303 O VAL A 299 -0.732 2.272 -4.759 1.00 15.00 O ATOM 304 CB VAL A 299 -3.237 1.290 -3.231 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.968 0.697 -2.035 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.075 2.784 -3.030 1.00 15.00 C ATOM 0 H VAL A 299 -0.497 1.472 -2.240 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.183 -0.478 -3.660 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.825 1.142 -4.137 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.909 1.226 -1.885 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.170 -0.358 -2.219 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.349 0.798 -1.144 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.053 3.237 -2.865 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.439 2.968 -2.164 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.616 3.223 -3.916 1.00 15.00 H new ATOM 316 N ASP A 300 -0.769 0.170 -5.563 1.00 15.00 N ATOM 317 CA ASP A 300 -0.100 0.507 -6.803 1.00 15.00 C ATOM 318 C ASP A 300 -1.122 0.537 -7.919 1.00 15.00 C ATOM 319 O ASP A 300 -1.917 -0.398 -8.061 1.00 15.00 O ATOM 320 CB ASP A 300 1.029 -0.489 -7.114 1.00 15.00 C ATOM 321 CG ASP A 300 1.243 -0.668 -8.609 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.864 0.214 -9.239 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.766 -1.676 -9.165 1.00 15.00 O ATOM 0 H ASP A 300 -0.943 -0.827 -5.438 1.00 15.00 H new ATOM 0 HA ASP A 300 0.360 1.490 -6.707 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.955 -0.141 -6.656 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.794 -1.454 -6.664 1.00 15.00 H new ATOM 328 N HIS A 301 -1.083 1.610 -8.704 1.00 15.00 N ATOM 329 CA HIS A 301 -2.102 1.879 -9.716 1.00 15.00 C ATOM 330 C HIS A 301 -1.925 1.009 -10.956 1.00 15.00 C ATOM 331 O HIS A 301 -2.836 0.903 -11.775 1.00 15.00 O ATOM 332 CB HIS A 301 -2.073 3.352 -10.137 1.00 15.00 C ATOM 333 CG HIS A 301 -2.527 4.318 -9.084 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.846 4.484 -8.741 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.831 5.208 -8.337 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.948 5.446 -7.842 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.738 5.899 -7.575 1.00 15.00 N ATOM 0 H HIS A 301 -0.348 2.315 -8.658 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.063 1.640 -9.260 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -1.056 3.610 -10.433 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.702 3.475 -11.018 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.626 3.948 -9.121 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.760 5.348 -8.341 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.867 5.802 -7.400 1.00 15.00 H new ATOM 346 N ASN A 302 -0.756 0.405 -11.105 1.00 15.00 N ATOM 347 CA ASN A 302 -0.460 -0.376 -12.302 1.00 15.00 C ATOM 348 C ASN A 302 -1.113 -1.747 -12.225 1.00 15.00 C ATOM 349 O ASN A 302 -1.818 -2.163 -13.144 1.00 15.00 O ATOM 350 CB ASN A 302 1.050 -0.519 -12.506 1.00 15.00 C ATOM 351 CG ASN A 302 1.734 0.817 -12.718 1.00 15.00 C ATOM 352 OD1 ASN A 302 1.837 1.303 -13.845 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.210 1.419 -11.638 1.00 15.00 N ATOM 0 H ASN A 302 -0.001 0.438 -10.420 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.872 0.158 -13.158 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.486 -1.013 -11.638 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.238 -1.161 -13.366 1.00 15.00 H new ATOM 0 HD21 ASN A 302 2.683 2.319 -11.722 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.104 0.982 -10.722 1.00 15.00 H new ATOM 360 N ASN A 303 -0.869 -2.449 -11.128 1.00 15.00 N ATOM 361 CA ASN A 303 -1.489 -3.745 -10.897 1.00 15.00 C ATOM 362 C ASN A 303 -2.788 -3.590 -10.117 1.00 15.00 C ATOM 363 O ASN A 303 -3.579 -4.531 -10.022 1.00 15.00 O ATOM 364 CB ASN A 303 -0.536 -4.692 -10.155 1.00 15.00 C ATOM 365 CG ASN A 303 0.617 -5.169 -11.019 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.697 -4.577 -11.033 1.00 15.00 O ATOM 367 ND2 ASN A 303 0.391 -6.249 -11.750 1.00 15.00 N ATOM 0 H ASN A 303 -0.244 -2.142 -10.382 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.715 -4.181 -11.870 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.139 -4.184 -9.276 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.096 -5.556 -9.797 1.00 15.00 H new ATOM 0 HD21 ASN A 303 1.125 -6.620 -12.353 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.518 -6.711 -11.710 1.00 15.00 H new ATOM 374 N ARG A 304 -2.980 -2.403 -9.531 1.00 15.00 N ATOM 375 CA ARG A 304 -4.168 -2.096 -8.727 1.00 15.00 C ATOM 376 C ARG A 304 -4.226 -3.021 -7.521 1.00 15.00 C ATOM 377 O ARG A 304 -5.301 -3.435 -7.084 1.00 15.00 O ATOM 378 CB ARG A 304 -5.444 -2.237 -9.560 1.00 15.00 C ATOM 379 CG ARG A 304 -5.460 -1.384 -10.817 1.00 15.00 C ATOM 380 CD ARG A 304 -6.638 -1.736 -11.704 1.00 15.00 C ATOM 381 NE ARG A 304 -7.905 -1.724 -10.972 1.00 15.00 N ATOM 382 CZ ARG A 304 -9.082 -2.004 -11.522 1.00 15.00 C ATOM 383 NH1 ARG A 304 -9.155 -2.333 -12.810 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -10.181 -1.969 -10.782 1.00 15.00 N ATOM 0 H ARG A 304 -2.318 -1.630 -9.600 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.097 -1.063 -8.387 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.568 -3.283 -9.842 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.301 -1.970 -8.941 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.509 -0.330 -10.544 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.531 -1.527 -11.368 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.692 -1.028 -12.531 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.481 -2.723 -12.139 1.00 15.00 H new ATOM 0 HE ARG A 304 -7.884 -1.487 -9.980 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.307 -2.370 -13.376 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -10.059 -2.548 -13.231 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -10.122 -1.728 -9.793 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -11.086 -2.183 -11.202 1.00 15.00 H new ATOM 398 N THR A 305 -3.065 -3.285 -6.950 1.00 15.00 N ATOM 399 CA THR A 305 -2.942 -4.328 -5.940 1.00 15.00 C ATOM 400 C THR A 305 -2.536 -3.766 -4.579 1.00 15.00 C ATOM 401 O THR A 305 -1.696 -2.867 -4.492 1.00 15.00 O ATOM 402 CB THR A 305 -1.929 -5.397 -6.399 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.300 -5.869 -7.701 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.883 -6.571 -5.431 1.00 15.00 C ATOM 0 H THR A 305 -2.196 -2.796 -7.165 1.00 15.00 H new ATOM 0 HA THR A 305 -3.924 -4.786 -5.823 1.00 15.00 H new ATOM 0 HB THR A 305 -0.939 -4.941 -6.427 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.759 -6.653 -7.931 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.159 -7.306 -5.784 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.588 -6.217 -4.443 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.869 -7.032 -5.371 1.00 15.00 H new ATOM 412 N THR A 306 -3.154 -4.301 -3.525 1.00 15.00 N ATOM 413 CA THR A 306 -2.858 -3.897 -2.158 1.00 15.00 C ATOM 414 C THR A 306 -1.861 -4.859 -1.507 1.00 15.00 C ATOM 415 O THR A 306 -2.028 -6.077 -1.572 1.00 15.00 O ATOM 416 CB THR A 306 -4.142 -3.845 -1.302 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.165 -3.104 -1.984 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.864 -3.202 0.049 1.00 15.00 C ATOM 0 H THR A 306 -3.870 -5.023 -3.599 1.00 15.00 H new ATOM 0 HA THR A 306 -2.420 -2.900 -2.205 1.00 15.00 H new ATOM 0 HB THR A 306 -4.483 -4.868 -1.142 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.837 -2.802 -1.337 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.782 -3.176 0.635 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.111 -3.783 0.581 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.500 -2.186 -0.100 1.00 15.00 H new ATOM 426 N GLN A 307 -0.826 -4.304 -0.886 1.00 15.00 N ATOM 427 CA GLN A 307 0.209 -5.103 -0.229 1.00 15.00 C ATOM 428 C GLN A 307 0.454 -4.609 1.194 1.00 15.00 C ATOM 429 O GLN A 307 0.672 -3.425 1.407 1.00 15.00 O ATOM 430 CB GLN A 307 1.519 -5.019 -1.020 1.00 15.00 C ATOM 431 CG GLN A 307 1.458 -5.668 -2.394 1.00 15.00 C ATOM 432 CD GLN A 307 1.270 -7.172 -2.326 1.00 15.00 C ATOM 433 OE1 GLN A 307 1.689 -7.821 -1.367 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.658 -7.738 -3.354 1.00 15.00 N ATOM 0 H GLN A 307 -0.679 -3.297 -0.822 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.135 -6.137 -0.192 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.793 -3.971 -1.137 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.311 -5.493 -0.441 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.638 -5.229 -2.962 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.377 -5.445 -2.937 1.00 15.00 H new ATOM 0 HE21 GLN A 307 0.326 -7.164 -4.129 1.00 15.00 H new ATOM 0 HE22 GLN A 307 0.518 -8.748 -3.371 1.00 15.00 H new ATOM 443 N PHE A 308 0.434 -5.513 2.170 1.00 15.00 N ATOM 444 CA PHE A 308 0.795 -5.144 3.540 1.00 15.00 C ATOM 445 C PHE A 308 2.309 -5.166 3.722 1.00 15.00 C ATOM 446 O PHE A 308 2.828 -4.733 4.747 1.00 15.00 O ATOM 447 CB PHE A 308 0.131 -6.059 4.582 1.00 15.00 C ATOM 448 CG PHE A 308 -1.069 -5.439 5.255 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.152 -4.067 5.435 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.105 -6.228 5.723 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.242 -3.499 6.067 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.198 -5.668 6.349 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.268 -4.302 6.520 1.00 15.00 C ATOM 0 H PHE A 308 0.176 -6.492 2.044 1.00 15.00 H new ATOM 0 HA PHE A 308 0.426 -4.132 3.703 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.174 -6.986 4.097 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.866 -6.324 5.342 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.354 -3.433 5.077 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.056 -7.299 5.596 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.290 -2.429 6.206 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.999 -6.299 6.705 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.125 -3.861 7.008 1.00 15.00 H new ATOM 463 N THR A 309 3.013 -5.688 2.727 1.00 15.00 N ATOM 464 CA THR A 309 4.463 -5.750 2.780 1.00 15.00 C ATOM 465 C THR A 309 5.079 -4.491 2.167 1.00 15.00 C ATOM 466 O THR A 309 4.660 -4.032 1.101 1.00 15.00 O ATOM 467 CB THR A 309 4.998 -7.020 2.072 1.00 15.00 C ATOM 468 OG1 THR A 309 6.421 -7.114 2.219 1.00 15.00 O ATOM 469 CG2 THR A 309 4.631 -7.034 0.594 1.00 15.00 C ATOM 0 H THR A 309 2.603 -6.073 1.876 1.00 15.00 H new ATOM 0 HA THR A 309 4.757 -5.804 3.828 1.00 15.00 H new ATOM 0 HB THR A 309 4.528 -7.881 2.547 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.744 -7.922 1.768 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.023 -7.939 0.130 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.546 -7.012 0.488 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.061 -6.160 0.104 1.00 15.00 H new ATOM 477 N ASP A 310 6.050 -3.923 2.866 1.00 15.00 N ATOM 478 CA ASP A 310 6.740 -2.730 2.398 1.00 15.00 C ATOM 479 C ASP A 310 8.212 -3.044 2.136 1.00 15.00 C ATOM 480 O ASP A 310 8.945 -3.445 3.045 1.00 15.00 O ATOM 481 CB ASP A 310 6.602 -1.597 3.428 1.00 15.00 C ATOM 482 CG ASP A 310 7.381 -0.345 3.062 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.615 -0.347 3.213 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.761 0.658 2.654 1.00 15.00 O1- ATOM 0 H ASP A 310 6.380 -4.272 3.766 1.00 15.00 H new ATOM 0 HA ASP A 310 6.285 -2.402 1.464 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.548 -1.341 3.535 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.943 -1.956 4.399 1.00 15.00 H new ATOM 489 N PRO A 311 8.650 -2.897 0.877 1.00 15.00 N ATOM 490 CA PRO A 311 10.036 -3.149 0.478 1.00 15.00 C ATOM 491 C PRO A 311 10.966 -1.984 0.816 1.00 15.00 C ATOM 492 O PRO A 311 12.186 -2.113 0.767 1.00 15.00 O ATOM 493 CB PRO A 311 9.929 -3.329 -1.035 1.00 15.00 C ATOM 494 CG PRO A 311 8.782 -2.466 -1.428 1.00 15.00 C ATOM 495 CD PRO A 311 7.813 -2.498 -0.272 1.00 15.00 C ATOM 0 HA PRO A 311 10.464 -4.005 0.999 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.847 -3.024 -1.538 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.752 -4.371 -1.300 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.113 -1.447 -1.630 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.312 -2.835 -2.340 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.350 -1.524 -0.111 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.006 -3.210 -0.446 1.00 15.00 H new ATOM 628 N PRO B 207 -7.575 -8.865 6.433 1.00 15.00 N ATOM 629 CA PRO B 207 -7.655 -8.502 5.015 1.00 15.00 C ATOM 630 C PRO B 207 -7.273 -7.045 4.753 1.00 15.00 C ATOM 631 O PRO B 207 -7.875 -6.120 5.306 1.00 15.00 O ATOM 632 CB PRO B 207 -9.126 -8.748 4.669 1.00 15.00 C ATOM 633 CG PRO B 207 -9.564 -9.800 5.626 1.00 15.00 C ATOM 634 CD PRO B 207 -8.793 -9.555 6.896 1.00 15.00 C ATOM 0 HA PRO B 207 -6.958 -9.081 4.409 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.717 -7.839 4.781 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.241 -9.078 3.637 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.638 -9.742 5.804 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.360 -10.795 5.232 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.359 -8.942 7.597 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.556 -10.488 7.408 1.00 15.00 H new ATOM 642 N PRO B 208 -6.225 -6.846 3.934 1.00 15.00 N ATOM 643 CA PRO B 208 -5.768 -5.519 3.505 1.00 15.00 C ATOM 644 C PRO B 208 -6.897 -4.670 2.909 1.00 15.00 C ATOM 645 O PRO B 208 -7.868 -5.205 2.370 1.00 15.00 O ATOM 646 CB PRO B 208 -4.732 -5.841 2.424 1.00 15.00 C ATOM 647 CG PRO B 208 -4.213 -7.186 2.778 1.00 15.00 C ATOM 648 CD PRO B 208 -5.364 -7.923 3.406 1.00 15.00 C ATOM 0 HA PRO B 208 -5.381 -4.935 4.340 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.184 -5.841 1.432 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.932 -5.100 2.410 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.851 -7.710 1.893 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.374 -7.111 3.470 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.892 -8.536 2.676 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.027 -8.591 4.199 1.00 15.00 H new ATOM 656 N PRO B 209 -6.751 -3.336 2.954 1.00 15.00 N ATOM 657 CA PRO B 209 -7.766 -2.401 2.462 1.00 15.00 C ATOM 658 C PRO B 209 -7.952 -2.527 0.950 1.00 15.00 C ATOM 659 O PRO B 209 -6.988 -2.409 0.191 1.00 15.00 O ATOM 660 CB PRO B 209 -7.197 -1.014 2.825 1.00 15.00 C ATOM 661 CG PRO B 209 -6.102 -1.275 3.795 1.00 15.00 C ATOM 662 CD PRO B 209 -5.568 -2.632 3.457 1.00 15.00 C ATOM 0 HA PRO B 209 -8.747 -2.587 2.898 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.823 -0.500 1.940 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.965 -0.377 3.263 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.322 -0.518 3.716 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.473 -1.245 4.820 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.780 -2.580 2.706 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.144 -3.128 4.330 1.00 15.00 H new ATOM 670 N PRO B 210 -9.188 -2.802 0.501 1.00 15.00 N ATOM 671 CA PRO B 210 -9.509 -2.922 -0.927 1.00 15.00 C ATOM 672 C PRO B 210 -9.039 -1.704 -1.710 1.00 15.00 C ATOM 673 O PRO B 210 -9.230 -0.569 -1.268 1.00 15.00 O ATOM 674 CB PRO B 210 -11.035 -3.014 -0.940 1.00 15.00 C ATOM 675 CG PRO B 210 -11.389 -3.568 0.396 1.00 15.00 C ATOM 676 CD PRO B 210 -10.372 -3.014 1.352 1.00 15.00 C ATOM 0 HA PRO B 210 -9.019 -3.776 -1.394 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.490 -2.036 -1.097 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.386 -3.661 -1.743 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.398 -3.275 0.686 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.364 -4.658 0.387 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.712 -2.084 1.807 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.164 -3.709 2.165 1.00 15.00 H new ATOM 684 N TYR B 211 -8.427 -1.938 -2.868 1.00 15.00 N ATOM 685 CA TYR B 211 -7.846 -0.855 -3.651 1.00 15.00 C ATOM 686 C TYR B 211 -8.902 0.143 -4.123 1.00 15.00 C ATOM 687 O TYR B 211 -9.601 -0.078 -5.116 1.00 15.00 O ATOM 688 CB TYR B 211 -7.037 -1.389 -4.846 1.00 15.00 C ATOM 689 CG TYR B 211 -6.620 -0.304 -5.826 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.976 0.847 -5.388 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.895 -0.417 -7.187 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.627 1.851 -6.273 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.537 0.586 -8.070 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.915 1.706 -7.610 1.00 15.00 C ATOM 695 OH TYR B 211 -5.595 2.691 -8.502 1.00 15.00 O ATOM 0 H TYR B 211 -8.322 -2.864 -3.282 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.163 -0.326 -2.987 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.146 -1.895 -4.475 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.631 -2.135 -5.373 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.744 0.959 -4.339 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.395 -1.300 -7.558 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.132 2.742 -5.917 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.751 0.480 -9.123 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.861 3.232 -8.143 1.00 15.00 H new ATOM 705 N SER B 212 -9.046 1.207 -3.351 1.00 15.00 N ATOM 706 CA SER B 212 -9.741 2.398 -3.794 1.00 15.00 C ATOM 707 C SER B 212 -8.746 3.225 -4.594 1.00 15.00 C ATOM 708 O SER B 212 -7.559 3.193 -4.280 1.00 15.00 O ATOM 709 CB SER B 212 -10.245 3.184 -2.579 1.00 15.00 C ATOM 710 OG SER B 212 -9.184 3.441 -1.671 1.00 15.00 O ATOM 0 H SER B 212 -8.683 1.267 -2.400 1.00 15.00 H new ATOM 0 HA SER B 212 -10.605 2.147 -4.409 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.686 4.126 -2.906 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.032 2.621 -2.077 1.00 15.00 H new ATOM 0 HG SER B 212 -9.525 3.945 -0.903 1.00 15.00 H new ATOM 716 N ARG B 213 -9.210 3.994 -5.573 1.00 15.00 N ATOM 717 CA ARG B 213 -8.293 4.654 -6.500 1.00 15.00 C ATOM 718 C ARG B 213 -7.347 5.578 -5.747 1.00 15.00 C ATOM 719 O ARG B 213 -6.130 5.408 -5.795 1.00 15.00 O ATOM 720 CB ARG B 213 -9.056 5.462 -7.549 1.00 15.00 C ATOM 721 CG ARG B 213 -10.010 4.642 -8.396 1.00 15.00 C ATOM 722 CD ARG B 213 -10.620 5.483 -9.505 1.00 15.00 C ATOM 723 NE ARG B 213 -11.262 6.692 -8.989 1.00 15.00 N ATOM 724 CZ ARG B 213 -12.579 6.844 -8.873 1.00 15.00 C ATOM 725 NH1 ARG B 213 -13.400 5.862 -9.214 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -13.073 7.985 -8.413 1.00 15.00 N ATOM 0 H ARG B 213 -10.199 4.175 -5.745 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.719 3.876 -7.003 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.619 6.248 -7.046 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.338 5.954 -8.205 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.479 3.794 -8.829 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.802 4.235 -7.767 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.843 5.761 -10.217 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -11.353 4.888 -10.049 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.664 7.466 -8.700 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -13.024 4.982 -9.568 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -14.408 5.985 -9.122 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.444 8.743 -8.149 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -14.082 8.104 -8.323 1.00 15.00 H new ATOM 740 N TYR B 214 -7.901 6.557 -5.060 1.00 15.00 N ATOM 741 CA TYR B 214 -7.090 7.456 -4.262 1.00 15.00 C ATOM 742 C TYR B 214 -7.503 7.393 -2.800 1.00 15.00 C ATOM 743 O TYR B 214 -8.616 7.783 -2.442 1.00 15.00 O ATOM 744 CB TYR B 214 -7.156 8.887 -4.806 1.00 15.00 C ATOM 745 CG TYR B 214 -6.380 9.055 -6.094 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.761 8.379 -7.244 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.256 9.867 -6.155 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.050 8.501 -8.414 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.538 10.002 -7.329 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.939 9.314 -8.457 1.00 15.00 C ATOM 751 OH TYR B 214 -4.226 9.435 -9.628 1.00 15.00 O ATOM 0 H TYR B 214 -8.902 6.750 -5.038 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.051 7.132 -4.329 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.198 9.160 -4.975 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.764 9.575 -4.057 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.634 7.744 -7.219 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.937 10.401 -5.272 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.361 7.961 -9.296 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.669 10.642 -7.363 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.472 10.046 -9.490 1.00 15.00 H new ATOM 761 N PRO B 215 -6.622 6.855 -1.945 1.00 15.00 N ATOM 762 CA PRO B 215 -6.863 6.738 -0.519 1.00 15.00 C ATOM 763 C PRO B 215 -6.326 7.938 0.261 1.00 15.00 C ATOM 764 O PRO B 215 -5.120 8.173 0.307 1.00 15.00 O ATOM 765 CB PRO B 215 -6.099 5.463 -0.152 1.00 15.00 C ATOM 766 CG PRO B 215 -5.034 5.304 -1.199 1.00 15.00 C ATOM 767 CD PRO B 215 -5.315 6.296 -2.305 1.00 15.00 C ATOM 0 HA PRO B 215 -7.925 6.704 -0.276 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.660 5.544 0.842 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.764 4.600 -0.138 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.048 5.481 -0.770 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.033 4.287 -1.590 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.548 7.069 -2.354 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.342 5.811 -3.281 1.00 15.00 H new