USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 333 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 305 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 307 GLN :FLIP amide:sc= -0.993 F(o=-5.9!,f=-0.99) USER MOD Single : A 290 SER OG : rot 180:sc= 0.00344 USER MOD Single : A 291 THR OG1 : rot -132:sc= -0.699 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot -110:sc= -0.283 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -10.1! C(o=-13!,f=-10!) USER MOD Single : A 302 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 303 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.062) USER MOD Single : A 306 THR OG1 : rot -176:sc= 1.34 USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= -1.13 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.538 6.180 4.272 1.00 15.00 N ATOM 44 CA LEU A 282 -8.183 5.690 4.463 1.00 15.00 C ATOM 45 C LEU A 282 -7.783 5.757 5.932 1.00 15.00 C ATOM 46 O LEU A 282 -7.709 6.841 6.515 1.00 15.00 O ATOM 47 CB LEU A 282 -7.196 6.495 3.614 1.00 15.00 C ATOM 48 CG LEU A 282 -5.792 5.898 3.524 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.815 4.604 2.727 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.822 6.891 2.905 1.00 15.00 C ATOM 0 HA LEU A 282 -8.154 4.648 4.144 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.600 6.591 2.606 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.122 7.502 4.025 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.450 5.675 4.535 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.807 4.192 2.673 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.474 3.887 3.216 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.180 4.804 1.720 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.829 6.444 2.851 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.158 7.151 1.901 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.782 7.791 3.518 1.00 15.00 H new ATOM 62 N PRO A 283 -7.539 4.596 6.553 1.00 15.00 N ATOM 63 CA PRO A 283 -7.097 4.516 7.949 1.00 15.00 C ATOM 64 C PRO A 283 -5.738 5.185 8.159 1.00 15.00 C ATOM 65 O PRO A 283 -4.841 5.064 7.321 1.00 15.00 O ATOM 66 CB PRO A 283 -6.992 3.007 8.212 1.00 15.00 C ATOM 67 CG PRO A 283 -7.818 2.372 7.149 1.00 15.00 C ATOM 68 CD PRO A 283 -7.688 3.264 5.951 1.00 15.00 C ATOM 0 HA PRO A 283 -7.783 5.030 8.622 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.957 2.669 8.162 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.363 2.753 9.205 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.465 1.365 6.928 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.859 2.284 7.461 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.826 2.997 5.340 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.565 3.207 5.307 1.00 15.00 H new ATOM 76 N PRO A 284 -5.571 5.898 9.282 1.00 15.00 N ATOM 77 CA PRO A 284 -4.307 6.550 9.627 1.00 15.00 C ATOM 78 C PRO A 284 -3.166 5.545 9.750 1.00 15.00 C ATOM 79 O PRO A 284 -3.235 4.603 10.541 1.00 15.00 O ATOM 80 CB PRO A 284 -4.589 7.209 10.983 1.00 15.00 C ATOM 81 CG PRO A 284 -5.796 6.515 11.510 1.00 15.00 C ATOM 82 CD PRO A 284 -6.600 6.121 10.306 1.00 15.00 C ATOM 0 HA PRO A 284 -3.992 7.259 8.861 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -3.742 7.095 11.660 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.767 8.279 10.872 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.518 5.640 12.098 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.369 7.171 12.165 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.188 5.222 10.490 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.299 6.905 10.013 1.00 15.00 H new ATOM 90 N GLY A 285 -2.128 5.744 8.957 1.00 15.00 N ATOM 91 CA GLY A 285 -1.016 4.821 8.955 1.00 15.00 C ATOM 92 C GLY A 285 -0.843 4.151 7.611 1.00 15.00 C ATOM 93 O GLY A 285 0.113 3.402 7.402 1.00 15.00 O ATOM 0 H GLY A 285 -2.035 6.530 8.313 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.101 5.354 9.216 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.172 4.062 9.722 1.00 15.00 H new ATOM 97 N TRP A 286 -1.750 4.444 6.684 1.00 15.00 N ATOM 98 CA TRP A 286 -1.701 3.843 5.361 1.00 15.00 C ATOM 99 C TRP A 286 -0.865 4.674 4.419 1.00 15.00 C ATOM 100 O TRP A 286 -1.291 5.731 3.945 1.00 15.00 O ATOM 101 CB TRP A 286 -3.108 3.659 4.763 1.00 15.00 C ATOM 102 CG TRP A 286 -3.796 2.423 5.243 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.979 2.056 6.542 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.376 1.374 4.439 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.616 0.847 6.609 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.868 0.403 5.340 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.529 1.143 3.052 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.488 -0.770 4.914 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.136 -0.030 2.650 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.603 -0.973 3.570 1.00 15.00 C ATOM 0 H TRP A 286 -2.524 5.092 6.827 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.244 2.861 5.480 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.718 4.527 5.013 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.032 3.626 3.676 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.666 2.637 7.397 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.863 0.355 7.468 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.181 1.864 2.328 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.864 -1.493 5.623 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.253 -0.225 1.594 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.064 -1.881 3.210 1.00 15.00 H new ATOM 121 N GLU A 287 0.341 4.207 4.181 1.00 15.00 N ATOM 122 CA GLU A 287 1.179 4.779 3.163 1.00 15.00 C ATOM 123 C GLU A 287 0.908 4.046 1.866 1.00 15.00 C ATOM 124 O GLU A 287 1.075 2.830 1.791 1.00 15.00 O ATOM 125 CB GLU A 287 2.651 4.666 3.568 1.00 15.00 C ATOM 126 CG GLU A 287 3.195 5.895 4.280 1.00 15.00 C ATOM 127 CD GLU A 287 2.389 6.303 5.495 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.544 5.674 6.561 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.625 7.285 5.398 1.00 15.00 O1- ATOM 0 H GLU A 287 0.761 3.426 4.686 1.00 15.00 H new ATOM 0 HA GLU A 287 0.958 5.839 3.034 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.772 3.799 4.218 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.249 4.482 2.676 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.223 5.701 4.586 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.223 6.728 3.577 1.00 15.00 H new ATOM 136 N VAL A 288 0.450 4.757 0.855 1.00 15.00 N ATOM 137 CA VAL A 288 0.165 4.111 -0.404 1.00 15.00 C ATOM 138 C VAL A 288 1.427 4.149 -1.255 1.00 15.00 C ATOM 139 O VAL A 288 1.954 5.208 -1.590 1.00 15.00 O ATOM 140 CB VAL A 288 -1.070 4.728 -1.142 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.114 5.204 -0.142 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.700 5.851 -2.099 1.00 15.00 C ATOM 0 H VAL A 288 0.271 5.761 0.881 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.119 3.076 -0.215 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.492 3.928 -1.750 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.963 5.629 -0.677 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.451 4.361 0.462 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.677 5.963 0.507 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.602 6.234 -2.577 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.213 6.655 -1.546 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -0.019 5.471 -2.861 1.00 15.00 H new ATOM 152 N ARG A 289 1.977 2.982 -1.519 1.00 15.00 N ATOM 153 CA ARG A 289 3.206 2.914 -2.266 1.00 15.00 C ATOM 154 C ARG A 289 2.884 2.439 -3.678 1.00 15.00 C ATOM 155 O ARG A 289 2.661 1.255 -3.920 1.00 15.00 O ATOM 156 CB ARG A 289 4.226 2.022 -1.516 1.00 15.00 C ATOM 157 CG ARG A 289 5.693 2.280 -1.865 1.00 15.00 C ATOM 158 CD ARG A 289 6.045 1.869 -3.285 1.00 15.00 C ATOM 159 NE ARG A 289 7.446 2.149 -3.613 1.00 15.00 N ATOM 160 CZ ARG A 289 8.347 1.218 -3.938 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.046 -0.072 -3.862 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.562 1.584 -4.318 1.00 15.00 N ATOM 0 H ARG A 289 1.595 2.081 -1.230 1.00 15.00 H new ATOM 0 HA ARG A 289 3.679 3.892 -2.355 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.093 2.167 -0.444 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.996 0.978 -1.727 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.911 3.340 -1.734 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.328 1.735 -1.167 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.850 0.804 -3.412 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.398 2.397 -3.985 1.00 15.00 H new ATOM 0 HE ARG A 289 7.754 3.121 -3.592 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.118 -0.362 -3.553 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.742 -0.774 -4.113 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.806 2.573 -4.362 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.253 0.876 -4.567 1.00 15.00 H new ATOM 176 N SER A 290 2.757 3.398 -4.585 1.00 15.00 N ATOM 177 CA SER A 290 2.392 3.110 -5.958 1.00 15.00 C ATOM 178 C SER A 290 3.644 2.919 -6.800 1.00 15.00 C ATOM 179 O SER A 290 4.575 3.720 -6.742 1.00 15.00 O ATOM 180 CB SER A 290 1.525 4.243 -6.516 1.00 15.00 C ATOM 181 OG SER A 290 2.132 5.504 -6.304 1.00 15.00 O ATOM 0 H SER A 290 2.903 4.388 -4.389 1.00 15.00 H new ATOM 0 HA SER A 290 1.814 2.187 -5.991 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.363 4.089 -7.583 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.545 4.223 -6.039 1.00 15.00 H new ATOM 0 HG SER A 290 1.559 6.209 -6.671 1.00 15.00 H new ATOM 187 N THR A 291 3.673 1.853 -7.576 1.00 15.00 N ATOM 188 CA THR A 291 4.855 1.531 -8.347 1.00 15.00 C ATOM 189 C THR A 291 4.554 1.533 -9.843 1.00 15.00 C ATOM 190 O THR A 291 3.435 1.205 -10.265 1.00 15.00 O ATOM 191 CB THR A 291 5.436 0.174 -7.908 1.00 15.00 C ATOM 192 OG1 THR A 291 4.446 -0.855 -8.044 1.00 15.00 O ATOM 193 CG2 THR A 291 5.894 0.234 -6.459 1.00 15.00 C ATOM 0 H THR A 291 2.897 1.200 -7.688 1.00 15.00 H new ATOM 0 HA THR A 291 5.602 2.302 -8.156 1.00 15.00 H new ATOM 0 HB THR A 291 6.290 -0.052 -8.546 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.416 -1.390 -7.224 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.302 -0.733 -6.166 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.663 0.999 -6.352 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.046 0.479 -5.819 1.00 15.00 H new ATOM 201 N VAL A 292 5.566 1.889 -10.636 1.00 15.00 N ATOM 202 CA VAL A 292 5.425 2.050 -12.086 1.00 15.00 C ATOM 203 C VAL A 292 5.049 0.725 -12.753 1.00 15.00 C ATOM 204 O VAL A 292 4.611 0.691 -13.906 1.00 15.00 O ATOM 205 CB VAL A 292 6.728 2.604 -12.711 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.515 3.010 -14.162 1.00 15.00 C ATOM 207 CG2 VAL A 292 7.247 3.782 -11.899 1.00 15.00 C ATOM 0 H VAL A 292 6.508 2.074 -10.292 1.00 15.00 H new ATOM 0 HA VAL A 292 4.622 2.766 -12.259 1.00 15.00 H new ATOM 0 HB VAL A 292 7.474 1.809 -12.692 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.448 3.395 -14.573 1.00 15.00 H new ATOM 0 HG12 VAL A 292 6.195 2.143 -14.739 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.749 3.784 -14.215 1.00 15.00 H new ATOM 0 HG21 VAL A 292 8.164 4.160 -12.352 1.00 15.00 H new ATOM 0 HG22 VAL A 292 6.497 4.573 -11.884 1.00 15.00 H new ATOM 0 HG23 VAL A 292 7.453 3.458 -10.879 1.00 15.00 H new ATOM 217 N SER A 293 5.216 -0.365 -12.009 1.00 15.00 N ATOM 218 CA SER A 293 4.776 -1.689 -12.445 1.00 15.00 C ATOM 219 C SER A 293 3.276 -1.706 -12.770 1.00 15.00 C ATOM 220 O SER A 293 2.778 -2.651 -13.385 1.00 15.00 O ATOM 221 CB SER A 293 5.097 -2.729 -11.366 1.00 15.00 C ATOM 222 OG SER A 293 4.631 -4.017 -11.732 1.00 15.00 O ATOM 0 H SER A 293 5.658 -0.357 -11.090 1.00 15.00 H new ATOM 0 HA SER A 293 5.315 -1.939 -13.359 1.00 15.00 H new ATOM 0 HB2 SER A 293 6.174 -2.764 -11.201 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.640 -2.430 -10.423 1.00 15.00 H new ATOM 0 HG SER A 293 4.852 -4.658 -11.025 1.00 15.00 H new ATOM 228 N GLY A 294 2.563 -0.668 -12.337 1.00 15.00 N ATOM 229 CA GLY A 294 1.137 -0.588 -12.578 1.00 15.00 C ATOM 230 C GLY A 294 0.351 -1.231 -11.460 1.00 15.00 C ATOM 231 O GLY A 294 -0.723 -1.791 -11.675 1.00 15.00 O ATOM 0 H GLY A 294 2.953 0.121 -11.821 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.842 0.456 -12.678 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.898 -1.079 -13.521 1.00 15.00 H new ATOM 235 N ARG A 295 0.891 -1.136 -10.255 1.00 15.00 N ATOM 236 CA ARG A 295 0.278 -1.759 -9.096 1.00 15.00 C ATOM 237 C ARG A 295 0.396 -0.850 -7.875 1.00 15.00 C ATOM 238 O ARG A 295 1.483 -0.356 -7.556 1.00 15.00 O ATOM 239 CB ARG A 295 0.949 -3.115 -8.806 1.00 15.00 C ATOM 240 CG ARG A 295 2.453 -3.009 -8.605 1.00 15.00 C ATOM 241 CD ARG A 295 3.102 -4.341 -8.264 1.00 15.00 C ATOM 242 NE ARG A 295 4.524 -4.170 -7.946 1.00 15.00 N ATOM 243 CZ ARG A 295 5.365 -5.171 -7.663 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.944 -6.427 -7.656 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.639 -4.908 -7.384 1.00 15.00 N ATOM 0 H ARG A 295 1.755 -0.632 -10.056 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.778 -1.922 -9.310 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.500 -3.552 -7.914 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.747 -3.797 -9.632 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.908 -2.611 -9.512 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.658 -2.296 -7.806 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.588 -4.793 -7.415 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.994 -5.027 -9.104 1.00 15.00 H new ATOM 0 HE ARG A 295 4.898 -3.221 -7.940 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.969 -6.639 -7.868 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.595 -7.182 -7.439 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.973 -3.944 -7.386 1.00 15.00 H new ATOM 0 HH22 ARG A 295 7.282 -5.670 -7.168 1.00 15.00 H new ATOM 259 N ILE A 296 -0.724 -0.615 -7.211 1.00 15.00 N ATOM 260 CA ILE A 296 -0.696 0.002 -5.899 1.00 15.00 C ATOM 261 C ILE A 296 -0.597 -1.119 -4.880 1.00 15.00 C ATOM 262 O ILE A 296 -1.198 -2.179 -5.054 1.00 15.00 O ATOM 263 CB ILE A 296 -1.945 0.885 -5.616 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.766 1.678 -4.306 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.214 0.037 -5.553 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.947 2.555 -3.958 1.00 15.00 C ATOM 0 H ILE A 296 -1.656 -0.841 -7.557 1.00 15.00 H new ATOM 0 HA ILE A 296 0.159 0.675 -5.841 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.048 1.592 -6.440 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.592 0.978 -3.489 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -0.875 2.300 -4.388 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.072 0.680 -5.354 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.357 -0.475 -6.505 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.120 -0.700 -4.755 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.747 3.081 -3.024 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.109 3.280 -4.755 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -3.838 1.937 -3.843 1.00 15.00 H new ATOM 278 N TYR A 297 0.182 -0.912 -3.844 1.00 15.00 N ATOM 279 CA TYR A 297 0.438 -1.973 -2.898 1.00 15.00 C ATOM 280 C TYR A 297 0.681 -1.332 -1.564 1.00 15.00 C ATOM 281 O TYR A 297 1.422 -0.345 -1.451 1.00 15.00 O ATOM 282 CB TYR A 297 1.593 -2.903 -3.341 1.00 15.00 C ATOM 283 CG TYR A 297 2.985 -2.518 -2.888 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.643 -1.441 -3.449 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.649 -3.255 -1.908 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.915 -1.098 -3.048 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.922 -2.914 -1.501 1.00 15.00 C ATOM 288 CZ TYR A 297 5.550 -1.832 -2.073 1.00 15.00 C ATOM 289 OH TYR A 297 6.820 -1.486 -1.676 1.00 15.00 O ATOM 0 H TYR A 297 0.646 -0.028 -3.636 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.425 -2.636 -2.837 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.381 -3.907 -2.975 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.591 -2.954 -4.430 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.152 -0.858 -4.214 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.158 -4.107 -1.460 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.414 -0.253 -3.499 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.422 -3.493 -0.738 1.00 15.00 H new ATOM 0 HH TYR A 297 7.456 -2.165 -1.984 1.00 15.00 H new ATOM 299 N PHE A 298 0.028 -1.852 -0.568 1.00 15.00 N ATOM 300 CA PHE A 298 -0.056 -1.160 0.664 1.00 15.00 C ATOM 301 C PHE A 298 1.034 -1.462 1.623 1.00 15.00 C ATOM 302 O PHE A 298 1.402 -2.604 1.858 1.00 15.00 O ATOM 303 CB PHE A 298 -1.389 -1.392 1.283 1.00 15.00 C ATOM 304 CG PHE A 298 -2.234 -0.261 0.933 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.882 0.974 1.414 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.326 -0.394 0.106 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.603 2.071 1.095 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.067 0.710 -0.219 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.695 1.939 0.284 1.00 15.00 C ATOM 0 H PHE A 298 -0.451 -2.752 -0.593 1.00 15.00 H new ATOM 0 HA PHE A 298 0.070 -0.104 0.425 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.824 -2.323 0.920 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.299 -1.483 2.365 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.018 1.071 2.055 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.597 -1.364 -0.284 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.320 3.041 1.476 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.931 0.620 -0.861 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.277 2.813 0.032 1.00 15.00 H new ATOM 319 N VAL A 299 1.501 -0.393 2.204 1.00 15.00 N ATOM 320 CA VAL A 299 2.557 -0.425 3.150 1.00 15.00 C ATOM 321 C VAL A 299 2.182 0.492 4.309 1.00 15.00 C ATOM 322 O VAL A 299 2.444 1.696 4.301 1.00 15.00 O ATOM 323 CB VAL A 299 3.869 0.015 2.467 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.347 -1.053 1.491 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.652 1.314 1.709 1.00 15.00 C ATOM 0 H VAL A 299 1.142 0.544 2.021 1.00 15.00 H new ATOM 0 HA VAL A 299 2.713 -1.432 3.537 1.00 15.00 H new ATOM 0 HB VAL A 299 4.623 0.161 3.240 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.273 -0.726 1.019 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.523 -1.985 2.029 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.587 -1.214 0.726 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.584 1.616 1.231 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.885 1.168 0.949 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.332 2.091 2.403 1.00 15.00 H new ATOM 335 N ASP A 300 1.510 -0.072 5.285 1.00 15.00 N ATOM 336 CA ASP A 300 1.106 0.694 6.443 1.00 15.00 C ATOM 337 C ASP A 300 2.195 0.587 7.492 1.00 15.00 C ATOM 338 O ASP A 300 2.587 -0.515 7.883 1.00 15.00 O ATOM 339 CB ASP A 300 -0.267 0.221 6.963 1.00 15.00 C ATOM 340 CG ASP A 300 -0.276 -0.121 8.443 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.286 0.807 9.283 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.265 -1.319 8.774 1.00 15.00 O ATOM 0 H ASP A 300 1.232 -1.053 5.302 1.00 15.00 H new ATOM 0 HA ASP A 300 0.981 1.744 6.179 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.005 1.001 6.775 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.578 -0.656 6.395 1.00 15.00 H new ATOM 347 N HIS A 301 2.723 1.733 7.905 1.00 15.00 N ATOM 348 CA HIS A 301 3.852 1.745 8.823 1.00 15.00 C ATOM 349 C HIS A 301 3.370 1.579 10.261 1.00 15.00 C ATOM 350 O HIS A 301 4.151 1.235 11.148 1.00 15.00 O ATOM 351 CB HIS A 301 4.668 3.044 8.752 1.00 15.00 C ATOM 352 CG HIS A 301 5.120 3.515 7.397 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.517 2.858 6.275 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.324 4.848 7.134 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.959 3.798 5.384 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.824 4.991 5.932 1.00 15.00 N flip ATOM 0 H HIS A 301 2.391 2.655 7.622 1.00 15.00 H new ATOM 0 HA HIS A 301 4.490 0.915 8.521 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.072 3.839 9.201 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.553 2.918 9.375 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.490 1.849 6.125 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.105 5.656 7.816 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.352 3.597 4.398 1.00 15.00 H new ATOM 365 N ASN A 302 2.091 1.844 10.490 1.00 15.00 N ATOM 366 CA ASN A 302 1.552 1.866 11.844 1.00 15.00 C ATOM 367 C ASN A 302 1.332 0.452 12.354 1.00 15.00 C ATOM 368 O ASN A 302 1.964 0.023 13.319 1.00 15.00 O ATOM 369 CB ASN A 302 0.238 2.656 11.891 1.00 15.00 C ATOM 370 CG ASN A 302 -0.350 2.719 13.290 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.013 3.604 14.076 1.00 15.00 O ATOM 372 ND2 ASN A 302 -1.239 1.789 13.606 1.00 15.00 N ATOM 0 H ASN A 302 1.409 2.046 9.759 1.00 15.00 H new ATOM 0 HA ASN A 302 2.277 2.361 12.490 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.413 3.669 11.527 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.484 2.195 11.217 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.671 1.790 14.530 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -1.491 1.072 12.925 1.00 15.00 H new ATOM 379 N ASN A 303 0.449 -0.268 11.689 1.00 15.00 N ATOM 380 CA ASN A 303 0.133 -1.638 12.065 1.00 15.00 C ATOM 381 C ASN A 303 1.117 -2.606 11.414 1.00 15.00 C ATOM 382 O ASN A 303 1.243 -3.759 11.830 1.00 15.00 O ATOM 383 CB ASN A 303 -1.314 -1.957 11.666 1.00 15.00 C ATOM 384 CG ASN A 303 -1.686 -3.419 11.836 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.071 -3.853 12.923 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.600 -4.178 10.754 1.00 15.00 N ATOM 0 H ASN A 303 -0.067 0.074 10.879 1.00 15.00 H new ATOM 0 HA ASN A 303 0.226 -1.751 13.145 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.990 -1.347 12.266 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.466 -1.671 10.625 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.858 -5.164 10.801 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.276 -3.777 9.874 1.00 15.00 H new ATOM 393 N ARG A 304 1.809 -2.109 10.395 1.00 15.00 N ATOM 394 CA ARG A 304 2.788 -2.876 9.639 1.00 15.00 C ATOM 395 C ARG A 304 2.118 -4.025 8.896 1.00 15.00 C ATOM 396 O ARG A 304 2.063 -5.157 9.379 1.00 15.00 O ATOM 397 CB ARG A 304 3.924 -3.390 10.531 1.00 15.00 C ATOM 398 CG ARG A 304 5.006 -4.125 9.758 1.00 15.00 C ATOM 399 CD ARG A 304 6.166 -4.530 10.649 1.00 15.00 C ATOM 400 NE ARG A 304 7.221 -5.192 9.889 1.00 15.00 N ATOM 401 CZ ARG A 304 8.496 -5.233 10.260 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.875 -4.705 11.418 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 9.386 -5.828 9.479 1.00 15.00 N ATOM 0 H ARG A 304 1.703 -1.149 10.068 1.00 15.00 H new ATOM 0 HA ARG A 304 3.232 -2.203 8.905 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.372 -2.548 11.059 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.510 -4.057 11.287 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.579 -5.013 9.293 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.372 -3.488 8.953 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.572 -3.647 11.143 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.808 -5.197 11.433 1.00 15.00 H new ATOM 0 HE ARG A 304 6.963 -5.653 9.017 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.186 -4.265 12.028 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.855 -4.739 11.698 1.00 15.00 H new ATOM 0 HH21 ARG A 304 9.090 -6.251 8.599 1.00 15.00 H new ATOM 0 HH22 ARG A 304 10.367 -5.863 9.758 1.00 15.00 H new ATOM 417 N THR A 305 1.566 -3.712 7.738 1.00 15.00 N ATOM 418 CA THR A 305 0.909 -4.712 6.916 1.00 15.00 C ATOM 419 C THR A 305 1.021 -4.347 5.439 1.00 15.00 C ATOM 420 O THR A 305 1.110 -3.167 5.085 1.00 15.00 O ATOM 421 CB THR A 305 -0.583 -4.880 7.308 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.165 -5.986 6.604 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.380 -3.620 7.010 1.00 15.00 C ATOM 0 H THR A 305 1.560 -2.771 7.345 1.00 15.00 H new ATOM 0 HA THR A 305 1.414 -5.662 7.089 1.00 15.00 H new ATOM 0 HB THR A 305 -0.619 -5.070 8.381 1.00 15.00 H new ATOM 0 HG1 THR A 305 -2.105 -6.080 6.863 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.421 -3.772 7.296 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.966 -2.785 7.576 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.326 -3.399 5.944 1.00 15.00 H new ATOM 431 N THR A 306 1.046 -5.364 4.589 1.00 15.00 N ATOM 432 CA THR A 306 1.086 -5.154 3.154 1.00 15.00 C ATOM 433 C THR A 306 -0.224 -5.619 2.525 1.00 15.00 C ATOM 434 O THR A 306 -0.551 -6.806 2.548 1.00 15.00 O ATOM 435 CB THR A 306 2.266 -5.898 2.509 1.00 15.00 C ATOM 436 OG1 THR A 306 3.420 -5.823 3.357 1.00 15.00 O ATOM 437 CG2 THR A 306 2.602 -5.291 1.157 1.00 15.00 C ATOM 0 H THR A 306 1.039 -6.344 4.872 1.00 15.00 H new ATOM 0 HA THR A 306 1.221 -4.087 2.974 1.00 15.00 H new ATOM 0 HB THR A 306 1.979 -6.941 2.374 1.00 15.00 H new ATOM 0 HG1 THR A 306 4.182 -6.247 2.911 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.440 -5.830 0.714 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.735 -5.364 0.500 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.872 -4.243 1.286 1.00 15.00 H new ATOM 445 N GLN A 307 -0.977 -4.682 1.972 1.00 15.00 N ATOM 446 CA GLN A 307 -2.321 -4.966 1.490 1.00 15.00 C ATOM 447 C GLN A 307 -2.432 -4.751 -0.016 1.00 15.00 C ATOM 448 O GLN A 307 -2.035 -3.719 -0.530 1.00 15.00 O ATOM 449 CB GLN A 307 -3.325 -4.061 2.214 1.00 15.00 C ATOM 450 CG GLN A 307 -3.243 -4.118 3.737 1.00 15.00 C ATOM 451 CD GLN A 307 -3.711 -5.437 4.347 1.00 15.00 C ATOM 452 OE1 GLN A 307 -3.520 -6.543 3.645 1.00 15.00 O flip ATOM 453 NE2 GLN A 307 -4.230 -5.457 5.462 1.00 15.00 N flip ATOM 0 H GLN A 307 -0.680 -3.715 1.845 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.542 -6.013 1.698 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.165 -3.032 1.892 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.333 -4.339 1.906 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.211 -3.938 4.040 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -3.843 -3.308 4.151 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -4.364 -4.587 5.978 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -4.527 -6.343 5.871 1.00 15.00 H new ATOM 462 N PHE A 308 -2.985 -5.720 -0.719 1.00 15.00 N ATOM 463 CA PHE A 308 -3.261 -5.553 -2.139 1.00 15.00 C ATOM 464 C PHE A 308 -4.676 -5.029 -2.348 1.00 15.00 C ATOM 465 O PHE A 308 -5.037 -4.599 -3.443 1.00 15.00 O ATOM 466 CB PHE A 308 -3.020 -6.844 -2.930 1.00 15.00 C ATOM 467 CG PHE A 308 -1.610 -6.960 -3.447 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.853 -5.819 -3.673 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.047 -8.194 -3.731 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.434 -5.906 -4.169 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.237 -8.282 -4.220 1.00 15.00 C ATOM 472 CZ PHE A 308 0.979 -7.139 -4.439 1.00 15.00 C ATOM 0 H PHE A 308 -3.252 -6.627 -0.336 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.559 -4.815 -2.527 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.240 -7.701 -2.293 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.714 -6.885 -3.770 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.276 -4.849 -3.458 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.620 -9.094 -3.567 1.00 15.00 H new ATOM 0 HE1 PHE A 308 1.009 -5.009 -4.344 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.666 -9.250 -4.433 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.986 -7.213 -4.822 1.00 15.00 H new ATOM 482 N THR A 309 -5.480 -5.108 -1.299 1.00 15.00 N ATOM 483 CA THR A 309 -6.827 -4.562 -1.320 1.00 15.00 C ATOM 484 C THR A 309 -6.809 -3.055 -1.016 1.00 15.00 C ATOM 485 O THR A 309 -6.332 -2.621 0.038 1.00 15.00 O ATOM 486 CB THR A 309 -7.746 -5.310 -0.317 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.053 -4.720 -0.285 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.150 -5.317 1.086 1.00 15.00 C ATOM 0 H THR A 309 -5.220 -5.548 -0.417 1.00 15.00 H new ATOM 0 HA THR A 309 -7.231 -4.705 -2.322 1.00 15.00 H new ATOM 0 HB THR A 309 -7.829 -6.341 -0.661 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.616 -5.207 0.352 1.00 15.00 H new ATOM 0 HG21 THR A 309 -7.819 -5.849 1.763 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.181 -5.816 1.067 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.023 -4.291 1.433 1.00 15.00 H new ATOM 496 N ASP A 310 -7.293 -2.260 -1.966 1.00 15.00 N ATOM 497 CA ASP A 310 -7.401 -0.814 -1.779 1.00 15.00 C ATOM 498 C ASP A 310 -8.825 -0.464 -1.343 1.00 15.00 C ATOM 499 O ASP A 310 -9.793 -0.945 -1.933 1.00 15.00 O ATOM 500 CB ASP A 310 -7.048 -0.070 -3.080 1.00 15.00 C ATOM 501 CG ASP A 310 -7.030 1.439 -2.914 1.00 15.00 C ATOM 502 OD1 ASP A 310 -8.107 2.053 -2.971 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -5.940 2.019 -2.738 1.00 15.00 O ATOM 0 H ASP A 310 -7.617 -2.592 -2.874 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.697 -0.503 -1.007 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -6.071 -0.403 -3.429 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.770 -0.337 -3.852 1.00 15.00 H new ATOM 508 N PRO A 311 -8.974 0.356 -0.294 1.00 15.00 N ATOM 509 CA PRO A 311 -10.277 0.773 0.217 1.00 15.00 C ATOM 510 C PRO A 311 -10.832 2.025 -0.475 1.00 15.00 C ATOM 511 O PRO A 311 -12.004 2.364 -0.317 1.00 15.00 O ATOM 512 CB PRO A 311 -9.988 1.049 1.693 1.00 15.00 C ATOM 513 CG PRO A 311 -8.557 1.484 1.738 1.00 15.00 C ATOM 514 CD PRO A 311 -7.873 0.923 0.507 1.00 15.00 C ATOM 0 HA PRO A 311 -11.042 0.017 0.042 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.647 1.823 2.085 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.148 0.157 2.299 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.487 2.572 1.754 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.074 1.120 2.645 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.341 1.700 -0.042 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.140 0.161 0.772 1.00 15.00 H new ATOM 522 N ARG A 312 -9.971 2.722 -1.204 1.00 15.00 N ATOM 523 CA ARG A 312 -10.271 4.060 -1.709 1.00 15.00 C ATOM 524 C ARG A 312 -11.197 4.050 -2.928 1.00 15.00 C ATOM 525 O ARG A 312 -11.718 5.099 -3.311 1.00 15.00 O ATOM 526 CB ARG A 312 -8.971 4.785 -2.056 1.00 15.00 C ATOM 527 CG ARG A 312 -8.029 4.939 -0.875 1.00 15.00 C ATOM 528 CD ARG A 312 -6.572 4.894 -1.311 1.00 15.00 C ATOM 529 NE ARG A 312 -6.241 5.945 -2.271 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.750 5.709 -3.490 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.590 4.460 -3.919 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -5.427 6.725 -4.279 1.00 15.00 N ATOM 0 H ARG A 312 -9.046 2.379 -1.463 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.800 4.585 -0.914 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.460 4.239 -2.849 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.209 5.772 -2.451 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.229 5.884 -0.370 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.218 4.145 -0.152 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.931 4.992 -0.435 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.359 3.921 -1.755 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.394 6.915 -1.994 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.843 3.677 -3.316 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.215 4.285 -4.851 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -5.554 7.683 -3.954 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -5.052 6.548 -5.211 1.00 15.00 H new ATOM 546 N LEU A 313 -11.373 2.897 -3.564 1.00 15.00 N ATOM 547 CA LEU A 313 -12.208 2.829 -4.766 1.00 15.00 C ATOM 548 C LEU A 313 -13.685 2.947 -4.389 1.00 15.00 C ATOM 549 O LEU A 313 -14.256 1.956 -3.890 1.00 15.00 O ATOM 550 CB LEU A 313 -11.996 1.528 -5.564 1.00 15.00 C ATOM 551 CG LEU A 313 -10.547 1.077 -5.820 1.00 15.00 C ATOM 552 CD1 LEU A 313 -9.603 2.249 -6.046 1.00 15.00 C ATOM 553 CD2 LEU A 313 -10.059 0.207 -4.686 1.00 15.00 C ATOM 0 H LEU A 313 -10.959 2.010 -3.277 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.909 3.663 -5.401 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -12.510 0.724 -5.038 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -12.488 1.643 -6.530 1.00 15.00 H new ATOM 0 HG LEU A 313 -10.549 0.494 -6.741 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -8.594 1.875 -6.222 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -9.934 2.821 -6.913 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -9.603 2.892 -5.166 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -9.033 -0.104 -4.882 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.096 0.770 -3.753 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.696 -0.674 -4.603 1.00 15.00 H new ATOM 566 N ASP B 221 -1.544 -9.344 -8.626 1.00 15.00 N ATOM 567 CA ASP B 221 -0.072 -9.186 -8.724 1.00 15.00 C ATOM 568 C ASP B 221 0.613 -10.184 -7.790 1.00 15.00 C ATOM 569 O ASP B 221 -0.058 -10.941 -7.091 1.00 15.00 O ATOM 570 CB ASP B 221 0.336 -7.745 -8.380 1.00 15.00 C ATOM 571 CG ASP B 221 1.723 -7.401 -8.881 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.696 -7.619 -8.141 1.00 15.00 O ATOM 573 OD2 ASP B 221 1.845 -6.912 -10.022 1.00 15.00 O1- ATOM 0 HA ASP B 221 0.244 -9.389 -9.747 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.386 -7.053 -8.814 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.299 -7.608 -7.299 1.00 15.00 H new ATOM 578 N THR B 222 1.939 -10.182 -7.770 1.00 15.00 N ATOM 579 CA THR B 222 2.698 -11.157 -7.003 1.00 15.00 C ATOM 580 C THR B 222 2.570 -10.869 -5.506 1.00 15.00 C ATOM 581 O THR B 222 2.502 -9.711 -5.107 1.00 15.00 O ATOM 582 CB THR B 222 4.188 -11.167 -7.451 1.00 15.00 C ATOM 583 OG1 THR B 222 4.898 -12.263 -6.862 1.00 15.00 O ATOM 584 CG2 THR B 222 4.886 -9.863 -7.092 1.00 15.00 C ATOM 0 H THR B 222 2.513 -9.511 -8.280 1.00 15.00 H new ATOM 0 HA THR B 222 2.288 -12.149 -7.193 1.00 15.00 H new ATOM 0 HB THR B 222 4.192 -11.281 -8.535 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.831 -12.247 -7.161 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.925 -9.904 -7.419 1.00 15.00 H new ATOM 0 HG22 THR B 222 4.382 -9.033 -7.587 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.851 -9.717 -6.012 1.00 15.00 H new ATOM 592 N PRO B 223 2.549 -11.926 -4.664 1.00 15.00 N ATOM 593 CA PRO B 223 2.223 -11.812 -3.231 1.00 15.00 C ATOM 594 C PRO B 223 2.988 -10.693 -2.518 1.00 15.00 C ATOM 595 O PRO B 223 4.184 -10.495 -2.752 1.00 15.00 O ATOM 596 CB PRO B 223 2.633 -13.176 -2.678 1.00 15.00 C ATOM 597 CG PRO B 223 2.449 -14.110 -3.818 1.00 15.00 C ATOM 598 CD PRO B 223 2.801 -13.329 -5.052 1.00 15.00 C ATOM 0 HA PRO B 223 1.174 -11.558 -3.078 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.667 -13.170 -2.333 1.00 15.00 H new ATOM 0 HB3 PRO B 223 2.015 -13.462 -1.827 1.00 15.00 H new ATOM 0 HG2 PRO B 223 3.091 -14.985 -3.713 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.422 -14.472 -3.865 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.841 -13.484 -5.341 1.00 15.00 H new ATOM 0 HD3 PRO B 223 2.187 -13.626 -5.902 1.00 15.00 H new ATOM 606 N PRO B 224 2.294 -9.987 -1.598 1.00 15.00 N ATOM 607 CA PRO B 224 2.757 -8.716 -1.025 1.00 15.00 C ATOM 608 C PRO B 224 4.169 -8.752 -0.437 1.00 15.00 C ATOM 609 O PRO B 224 4.526 -9.646 0.339 1.00 15.00 O ATOM 610 CB PRO B 224 1.735 -8.395 0.071 1.00 15.00 C ATOM 611 CG PRO B 224 0.887 -9.609 0.233 1.00 15.00 C ATOM 612 CD PRO B 224 0.992 -10.394 -1.040 1.00 15.00 C ATOM 0 HA PRO B 224 2.822 -7.964 -1.811 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.236 -8.145 1.006 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.128 -7.533 -0.206 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.225 -10.204 1.081 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.149 -9.332 0.430 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.955 -11.467 -0.852 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.174 -10.161 -1.722 1.00 15.00 H new ATOM 620 N PRO B 225 4.974 -7.745 -0.817 1.00 15.00 N ATOM 621 CA PRO B 225 6.339 -7.529 -0.318 1.00 15.00 C ATOM 622 C PRO B 225 6.357 -6.886 1.069 1.00 15.00 C ATOM 623 O PRO B 225 5.306 -6.630 1.656 1.00 15.00 O ATOM 624 CB PRO B 225 6.948 -6.555 -1.347 1.00 15.00 C ATOM 625 CG PRO B 225 5.932 -6.406 -2.430 1.00 15.00 C ATOM 626 CD PRO B 225 4.612 -6.724 -1.802 1.00 15.00 C ATOM 0 HA PRO B 225 6.881 -8.469 -0.215 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.171 -5.592 -0.887 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.886 -6.944 -1.744 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.938 -5.394 -2.834 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.143 -7.082 -3.259 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.163 -5.848 -1.334 1.00 15.00 H new ATOM 0 HD3 PRO B 225 3.894 -7.099 -2.532 1.00 15.00 H new ATOM 634 N ALA B 226 7.553 -6.646 1.600 1.00 15.00 N ATOM 635 CA ALA B 226 7.698 -5.895 2.846 1.00 15.00 C ATOM 636 C ALA B 226 7.230 -4.452 2.642 1.00 15.00 C ATOM 637 O ALA B 226 7.058 -4.011 1.504 1.00 15.00 O ATOM 638 CB ALA B 226 9.143 -5.932 3.318 1.00 15.00 C ATOM 0 H ALA B 226 8.433 -6.959 1.190 1.00 15.00 H new ATOM 0 HA ALA B 226 7.077 -6.356 3.614 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.237 -5.369 4.247 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.444 -6.966 3.488 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.786 -5.488 2.558 1.00 15.00 H new ATOM 644 N TYR B 227 7.032 -3.707 3.724 1.00 15.00 N ATOM 645 CA TYR B 227 6.469 -2.369 3.596 1.00 15.00 C ATOM 646 C TYR B 227 7.546 -1.288 3.567 1.00 15.00 C ATOM 647 O TYR B 227 8.563 -1.354 4.264 1.00 15.00 O ATOM 648 CB TYR B 227 5.452 -2.063 4.697 1.00 15.00 C ATOM 649 CG TYR B 227 6.069 -1.584 5.992 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.585 -2.474 6.923 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.148 -0.230 6.268 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.165 -2.020 8.091 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.720 0.233 7.427 1.00 15.00 C ATOM 654 CZ TYR B 227 7.231 -0.663 8.340 1.00 15.00 C ATOM 655 OH TYR B 227 7.811 -0.207 9.503 1.00 15.00 O ATOM 0 H TYR B 227 7.247 -3.998 4.678 1.00 15.00 H new ATOM 0 HA TYR B 227 5.950 -2.357 2.638 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.758 -1.304 4.335 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.867 -2.961 4.896 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.532 -3.536 6.732 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.751 0.478 5.556 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.565 -2.723 8.807 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.769 1.294 7.622 1.00 15.00 H new ATOM 0 HH TYR B 227 7.778 0.772 9.523 1.00 15.00 H new ATOM 665 N LEU B 228 7.277 -0.292 2.751 1.00 15.00 N ATOM 666 CA LEU B 228 8.156 0.840 2.519 1.00 15.00 C ATOM 667 C LEU B 228 7.374 2.137 2.662 1.00 15.00 C ATOM 668 O LEU B 228 6.161 2.124 2.623 1.00 15.00 O ATOM 669 CB LEU B 228 8.823 0.778 1.134 1.00 15.00 C ATOM 670 CG LEU B 228 9.898 -0.299 0.942 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.278 -1.668 0.714 1.00 15.00 C ATOM 672 CD2 LEU B 228 10.809 0.068 -0.220 1.00 15.00 C ATOM 0 H LEU B 228 6.413 -0.244 2.212 1.00 15.00 H new ATOM 0 HA LEU B 228 8.949 0.802 3.266 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.045 0.621 0.387 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.272 1.749 0.927 1.00 15.00 H new ATOM 0 HG LEU B 228 10.489 -0.349 1.856 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.068 -2.408 0.582 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.668 -1.939 1.575 1.00 15.00 H new ATOM 0 HD13 LEU B 228 8.653 -1.640 -0.179 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.568 -0.705 -0.346 1.00 15.00 H new ATOM 0 HD22 LEU B 228 10.219 0.149 -1.133 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.294 1.022 -0.015 1.00 15.00 H new ATOM 684 N PRO B 229 8.034 3.276 2.859 1.00 15.00 N ATOM 685 CA PRO B 229 7.334 4.557 2.876 1.00 15.00 C ATOM 686 C PRO B 229 7.230 5.115 1.460 1.00 15.00 C ATOM 687 O PRO B 229 8.057 4.813 0.601 1.00 15.00 O ATOM 688 CB PRO B 229 8.253 5.449 3.731 1.00 15.00 C ATOM 689 CG PRO B 229 9.347 4.557 4.226 1.00 15.00 C ATOM 690 CD PRO B 229 9.430 3.417 3.255 1.00 15.00 C ATOM 0 HA PRO B 229 6.318 4.489 3.264 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.657 6.272 3.141 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.704 5.892 4.562 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.294 5.094 4.277 1.00 15.00 H new ATOM 0 HG3 PRO B 229 9.130 4.197 5.232 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.077 3.645 2.408 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.819 2.510 3.718 1.00 15.00 H new ATOM 698 N PRO B 230 6.212 5.952 1.201 1.00 15.00 N ATOM 699 CA PRO B 230 5.560 6.000 -0.102 1.00 15.00 C ATOM 700 C PRO B 230 6.151 6.966 -1.117 1.00 15.00 C ATOM 701 O PRO B 230 6.498 8.110 -0.810 1.00 15.00 O ATOM 702 CB PRO B 230 4.159 6.458 0.285 1.00 15.00 C ATOM 703 CG PRO B 230 4.376 7.408 1.416 1.00 15.00 C ATOM 704 CD PRO B 230 5.623 6.941 2.133 1.00 15.00 C ATOM 0 HA PRO B 230 5.649 5.041 -0.612 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.655 6.944 -0.551 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.536 5.617 0.587 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.498 8.427 1.049 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.519 7.412 2.090 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.307 7.767 2.326 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.386 6.491 3.097 1.00 15.00 H new ATOM 712 N GLU B 231 6.241 6.464 -2.336 1.00 15.00 N ATOM 713 CA GLU B 231 6.498 7.270 -3.508 1.00 15.00 C ATOM 714 C GLU B 231 5.231 7.250 -4.365 1.00 15.00 C ATOM 715 O GLU B 231 4.655 6.181 -4.576 1.00 15.00 O ATOM 716 CB GLU B 231 7.700 6.708 -4.284 1.00 15.00 C ATOM 717 CG GLU B 231 7.526 5.275 -4.785 1.00 15.00 C ATOM 718 CD GLU B 231 8.829 4.671 -5.262 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.613 4.204 -4.405 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 9.073 4.649 -6.483 1.00 15.00 O ATOM 0 H GLU B 231 6.135 5.470 -2.538 1.00 15.00 H new ATOM 0 HA GLU B 231 6.743 8.295 -3.230 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.898 7.355 -5.138 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.580 6.749 -3.642 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.115 4.660 -3.985 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.803 5.263 -5.600 1.00 15.00 H new