USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 459 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 Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.7!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 186 TYR OH : rot 180:sc= -0.0963 USER MOD Single : A 193 MET CE :methyl 168:sc= -2.36 (180deg=-2.94) USER MOD Single : A 196 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.99! C(o=-8.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.749 -2.981 -6.447 1.00 0.00 N ATOM 41 CA TYR A 146 4.371 -3.442 -6.114 1.00 0.00 C ATOM 42 C TYR A 146 3.364 -2.345 -6.469 1.00 0.00 C ATOM 43 O TYR A 146 3.711 -1.187 -6.589 1.00 0.00 O ATOM 44 CB TYR A 146 4.285 -3.745 -4.616 1.00 0.00 C ATOM 45 CG TYR A 146 5.085 -4.983 -4.303 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.846 -6.164 -5.015 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.060 -4.955 -3.296 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.582 -7.319 -4.723 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.794 -6.110 -3.002 1.00 0.00 C ATOM 50 CZ TYR A 146 6.556 -7.292 -3.715 1.00 0.00 C ATOM 51 OH TYR A 146 7.280 -8.431 -3.425 1.00 0.00 O ATOM 0 HA TYR A 146 4.142 -4.343 -6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.664 -2.900 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.245 -3.888 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.094 -6.185 -5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.245 -4.043 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.399 -8.230 -5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.544 -6.090 -2.225 1.00 0.00 H new ATOM 0 HH TYR A 146 7.914 -8.241 -2.702 1.00 0.00 H new ATOM 61 N ARG A 147 2.118 -2.701 -6.634 1.00 0.00 N ATOM 62 CA ARG A 147 1.090 -1.676 -6.978 1.00 0.00 C ATOM 63 C ARG A 147 0.729 -0.879 -5.723 1.00 0.00 C ATOM 64 O ARG A 147 -0.222 -1.183 -5.032 1.00 0.00 O ATOM 65 CB ARG A 147 -0.162 -2.369 -7.520 1.00 0.00 C ATOM 66 CG ARG A 147 0.168 -3.053 -8.848 1.00 0.00 C ATOM 67 CD ARG A 147 -0.151 -2.104 -10.004 1.00 0.00 C ATOM 68 NE ARG A 147 0.561 -2.557 -11.232 1.00 0.00 N ATOM 69 CZ ARG A 147 0.310 -3.735 -11.735 1.00 0.00 C ATOM 70 NH1 ARG A 147 -0.924 -4.110 -11.932 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.292 -4.535 -12.040 1.00 0.00 N ATOM 0 H ARG A 147 1.768 -3.655 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 147 1.488 -1.002 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.524 -3.103 -6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.961 -1.641 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.221 -3.333 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.409 -3.973 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.226 -2.080 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.152 -1.089 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 147 1.245 -1.946 -11.680 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.692 -3.483 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.121 -5.030 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.256 -4.241 -11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.096 -5.456 -12.433 1.00 0.00 H new ATOM 85 N GLY A 148 1.487 0.140 -5.422 1.00 0.00 N ATOM 86 CA GLY A 148 1.196 0.958 -4.211 1.00 0.00 C ATOM 87 C GLY A 148 2.495 1.189 -3.437 1.00 0.00 C ATOM 88 O GLY A 148 2.621 2.133 -2.682 1.00 0.00 O ATOM 0 H GLY A 148 2.297 0.442 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.756 1.912 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.468 0.449 -3.580 1.00 0.00 H new ATOM 92 N VAL A 149 3.462 0.334 -3.623 1.00 0.00 N ATOM 93 CA VAL A 149 4.757 0.498 -2.904 1.00 0.00 C ATOM 94 C VAL A 149 5.681 1.396 -3.726 1.00 0.00 C ATOM 95 O VAL A 149 5.771 1.274 -4.932 1.00 0.00 O ATOM 96 CB VAL A 149 5.414 -0.872 -2.719 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.759 -0.705 -2.011 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.505 -1.765 -1.872 1.00 0.00 C ATOM 0 H VAL A 149 3.411 -0.474 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 149 4.578 0.951 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 149 5.571 -1.331 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.225 -1.682 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.410 -0.070 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.602 -0.244 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.973 -2.740 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.348 -1.304 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.545 -1.888 -2.374 1.00 0.00 H new ATOM 108 N ARG A 150 6.367 2.297 -3.083 1.00 0.00 N ATOM 109 CA ARG A 150 7.286 3.203 -3.825 1.00 0.00 C ATOM 110 C ARG A 150 8.688 3.102 -3.223 1.00 0.00 C ATOM 111 O ARG A 150 8.963 3.642 -2.170 1.00 0.00 O ATOM 112 CB ARG A 150 6.778 4.644 -3.708 1.00 0.00 C ATOM 113 CG ARG A 150 7.767 5.596 -4.382 1.00 0.00 C ATOM 114 CD ARG A 150 7.784 5.334 -5.888 1.00 0.00 C ATOM 115 NE ARG A 150 6.492 5.776 -6.486 1.00 0.00 N ATOM 116 CZ ARG A 150 5.950 5.087 -7.453 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.739 3.808 -7.304 1.00 0.00 N ATOM 118 NH2 ARG A 150 5.618 5.675 -8.571 1.00 0.00 N ATOM 0 H ARG A 150 6.331 2.446 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 150 7.321 2.915 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.797 4.733 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 150 6.657 4.913 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 150 7.484 6.630 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 150 8.765 5.454 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 150 8.613 5.869 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 150 7.942 4.273 -6.081 1.00 0.00 H new ATOM 0 HE ARG A 150 6.031 6.617 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.998 3.347 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 150 5.315 3.270 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 150 5.782 6.675 -8.690 1.00 0.00 H new ATOM 0 HH22 ARG A 150 5.195 5.135 -9.325 1.00 0.00 H new ATOM 132 N GLN A 151 9.577 2.410 -3.882 1.00 0.00 N ATOM 133 CA GLN A 151 10.962 2.273 -3.345 1.00 0.00 C ATOM 134 C GLN A 151 11.609 3.655 -3.257 1.00 0.00 C ATOM 135 O GLN A 151 11.096 4.627 -3.772 1.00 0.00 O ATOM 136 CB GLN A 151 11.790 1.385 -4.276 1.00 0.00 C ATOM 137 CG GLN A 151 13.161 1.112 -3.649 1.00 0.00 C ATOM 138 CD GLN A 151 13.874 0.011 -4.436 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.400 -0.418 -5.469 1.00 0.00 O ATOM 140 NE2 GLN A 151 15.002 -0.467 -3.989 1.00 0.00 N ATOM 0 H GLN A 151 9.405 1.934 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 151 10.923 1.821 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 151 11.268 0.445 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.913 1.872 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 151 13.761 2.022 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 151 13.043 0.811 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 151 15.400 -0.107 -3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 151 15.486 -1.201 -4.507 1.00 0.00 H new ATOM 149 N ARG A 152 12.736 3.744 -2.611 1.00 0.00 N ATOM 150 CA ARG A 152 13.425 5.059 -2.489 1.00 0.00 C ATOM 151 C ARG A 152 14.884 4.910 -2.930 1.00 0.00 C ATOM 152 O ARG A 152 15.393 3.810 -3.014 1.00 0.00 O ATOM 153 CB ARG A 152 13.379 5.526 -1.031 1.00 0.00 C ATOM 154 CG ARG A 152 12.191 6.469 -0.834 1.00 0.00 C ATOM 155 CD ARG A 152 11.393 6.036 0.396 1.00 0.00 C ATOM 156 NE ARG A 152 10.846 7.240 1.082 1.00 0.00 N ATOM 157 CZ ARG A 152 11.207 7.514 2.306 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.443 6.546 3.148 1.00 0.00 N ATOM 159 NH2 ARG A 152 11.332 8.756 2.687 1.00 0.00 N ATOM 0 H ARG A 152 13.212 2.962 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 152 12.925 5.793 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.289 4.667 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.307 6.035 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.543 7.493 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.553 6.456 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 152 10.581 5.372 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.032 5.474 1.078 1.00 0.00 H new ATOM 0 HE ARG A 152 10.189 7.850 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.345 5.575 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.725 6.760 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 152 11.148 9.513 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 152 11.614 8.970 3.644 1.00 0.00 H new ATOM 173 N PRO A 153 15.512 6.025 -3.198 1.00 0.00 N ATOM 174 CA PRO A 153 16.918 6.058 -3.633 1.00 0.00 C ATOM 175 C PRO A 153 17.849 5.828 -2.440 1.00 0.00 C ATOM 176 O PRO A 153 18.458 6.746 -1.929 1.00 0.00 O ATOM 177 CB PRO A 153 17.088 7.471 -4.197 1.00 0.00 C ATOM 178 CG PRO A 153 15.977 8.333 -3.553 1.00 0.00 C ATOM 179 CD PRO A 153 14.880 7.357 -3.088 1.00 0.00 C ATOM 0 HA PRO A 153 17.161 5.284 -4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.075 7.868 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 153 16.998 7.469 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.369 8.905 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.579 9.051 -4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.567 7.567 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 153 13.991 7.429 -3.714 1.00 0.00 H new ATOM 187 N TRP A 154 17.961 4.607 -1.992 1.00 0.00 N ATOM 188 CA TRP A 154 18.850 4.319 -0.832 1.00 0.00 C ATOM 189 C TRP A 154 18.596 2.895 -0.334 1.00 0.00 C ATOM 190 O TRP A 154 19.489 2.072 -0.296 1.00 0.00 O ATOM 191 CB TRP A 154 18.557 5.312 0.295 1.00 0.00 C ATOM 192 CG TRP A 154 19.723 6.232 0.458 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.651 7.583 0.475 1.00 0.00 C ATOM 194 CD2 TRP A 154 21.130 5.894 0.626 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.925 8.096 0.643 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.870 7.095 0.741 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.828 4.673 0.689 1.00 0.00 C ATOM 198 CZ2 TRP A 154 23.256 7.084 0.913 1.00 0.00 C ATOM 199 CZ3 TRP A 154 23.222 4.657 0.863 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.934 5.862 0.974 1.00 0.00 C ATOM 0 H TRP A 154 17.476 3.798 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 154 19.891 4.416 -1.141 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.657 5.883 0.067 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.368 4.778 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.747 8.166 0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.139 9.092 0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.288 3.742 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 23.801 8.013 0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.748 3.715 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 154 25.006 5.845 1.107 1.00 0.00 H new ATOM 211 N GLY A 155 17.385 2.597 0.049 1.00 0.00 N ATOM 212 CA GLY A 155 17.076 1.226 0.544 1.00 0.00 C ATOM 213 C GLY A 155 15.793 1.261 1.375 1.00 0.00 C ATOM 214 O GLY A 155 15.697 0.639 2.415 1.00 0.00 O ATOM 0 H GLY A 155 16.596 3.244 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.959 0.542 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.903 0.851 1.147 1.00 0.00 H new ATOM 218 N LYS A 156 14.805 1.987 0.926 1.00 0.00 N ATOM 219 CA LYS A 156 13.528 2.064 1.690 1.00 0.00 C ATOM 220 C LYS A 156 12.346 1.973 0.721 1.00 0.00 C ATOM 221 O LYS A 156 12.520 1.859 -0.476 1.00 0.00 O ATOM 222 CB LYS A 156 13.468 3.392 2.450 1.00 0.00 C ATOM 223 CG LYS A 156 14.782 3.610 3.206 1.00 0.00 C ATOM 224 CD LYS A 156 14.823 2.699 4.435 1.00 0.00 C ATOM 225 CE LYS A 156 15.845 3.237 5.438 1.00 0.00 C ATOM 226 NZ LYS A 156 16.812 2.159 5.790 1.00 0.00 N ATOM 0 H LYS A 156 14.828 2.530 0.063 1.00 0.00 H new ATOM 0 HA LYS A 156 13.478 1.238 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.296 4.213 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.631 3.386 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.629 3.396 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.870 4.653 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.837 2.649 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 156 15.088 1.684 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.374 4.090 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.338 3.592 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 17.507 2.525 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.300 1.358 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 17.305 1.840 4.931 1.00 0.00 H new ATOM 240 N PHE A 157 11.145 2.021 1.230 1.00 0.00 N ATOM 241 CA PHE A 157 9.954 1.935 0.339 1.00 0.00 C ATOM 242 C PHE A 157 8.797 2.722 0.958 1.00 0.00 C ATOM 243 O PHE A 157 8.926 3.299 2.019 1.00 0.00 O ATOM 244 CB PHE A 157 9.542 0.470 0.179 1.00 0.00 C ATOM 245 CG PHE A 157 10.575 -0.258 -0.643 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.778 -0.668 -0.054 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.331 -0.524 -1.996 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.738 -1.343 -0.817 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.291 -1.200 -2.761 1.00 0.00 C ATOM 250 CZ PHE A 157 12.495 -1.609 -2.171 1.00 0.00 C ATOM 0 H PHE A 157 10.938 2.116 2.224 1.00 0.00 H new ATOM 0 HA PHE A 157 10.200 2.354 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.444 0.000 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.567 0.406 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.965 -0.463 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.403 -0.208 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.665 -1.659 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.103 -1.406 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.236 -2.129 -2.760 1.00 0.00 H new ATOM 260 N ALA A 158 7.667 2.753 0.305 1.00 0.00 N ATOM 261 CA ALA A 158 6.509 3.505 0.865 1.00 0.00 C ATOM 262 C ALA A 158 5.202 2.800 0.499 1.00 0.00 C ATOM 263 O ALA A 158 4.814 2.746 -0.651 1.00 0.00 O ATOM 264 CB ALA A 158 6.492 4.921 0.287 1.00 0.00 C ATOM 0 H ALA A 158 7.496 2.292 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 158 6.606 3.549 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.645 5.471 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.418 5.432 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.401 4.870 -0.798 1.00 0.00 H new ATOM 270 N ALA A 159 4.512 2.271 1.471 1.00 0.00 N ATOM 271 CA ALA A 159 3.224 1.583 1.180 1.00 0.00 C ATOM 272 C ALA A 159 2.101 2.621 1.157 1.00 0.00 C ATOM 273 O ALA A 159 1.846 3.291 2.138 1.00 0.00 O ATOM 274 CB ALA A 159 2.940 0.547 2.269 1.00 0.00 C ATOM 0 H ALA A 159 4.785 2.286 2.454 1.00 0.00 H new ATOM 0 HA ALA A 159 3.283 1.081 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.997 0.044 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.746 -0.187 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.875 1.045 3.237 1.00 0.00 H new ATOM 280 N GLU A 160 1.433 2.766 0.045 1.00 0.00 N ATOM 281 CA GLU A 160 0.333 3.769 -0.038 1.00 0.00 C ATOM 282 C GLU A 160 -0.831 3.190 -0.848 1.00 0.00 C ATOM 283 O GLU A 160 -0.643 2.350 -1.706 1.00 0.00 O ATOM 284 CB GLU A 160 0.853 5.035 -0.724 1.00 0.00 C ATOM 285 CG GLU A 160 -0.083 6.206 -0.416 1.00 0.00 C ATOM 286 CD GLU A 160 -0.777 6.656 -1.702 1.00 0.00 C ATOM 287 OE1 GLU A 160 -0.953 5.825 -2.578 1.00 0.00 O ATOM 288 OE2 GLU A 160 -1.120 7.823 -1.791 1.00 0.00 O ATOM 0 H GLU A 160 1.601 2.234 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.013 4.013 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.861 5.261 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.914 4.878 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.825 5.907 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.482 7.033 0.014 1.00 0.00 H new ATOM 295 N ILE A 161 -2.031 3.631 -0.584 1.00 0.00 N ATOM 296 CA ILE A 161 -3.202 3.104 -1.342 1.00 0.00 C ATOM 297 C ILE A 161 -4.136 4.258 -1.712 1.00 0.00 C ATOM 298 O ILE A 161 -4.475 5.085 -0.889 1.00 0.00 O ATOM 299 CB ILE A 161 -3.961 2.092 -0.479 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.134 1.519 -1.278 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.493 2.787 0.776 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.032 0.695 -0.351 1.00 0.00 C ATOM 0 H ILE A 161 -2.251 4.333 0.123 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.851 2.615 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.287 1.285 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.707 2.327 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.763 0.895 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.033 2.066 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.659 3.197 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.166 3.594 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.867 0.288 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.455 -0.122 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.414 1.332 0.447 1.00 0.00 H new ATOM 314 N ARG A 162 -4.557 4.318 -2.946 1.00 0.00 N ATOM 315 CA ARG A 162 -5.472 5.415 -3.370 1.00 0.00 C ATOM 316 C ARG A 162 -6.920 4.987 -3.124 1.00 0.00 C ATOM 317 O ARG A 162 -7.505 4.263 -3.904 1.00 0.00 O ATOM 318 CB ARG A 162 -5.269 5.700 -4.860 1.00 0.00 C ATOM 319 CG ARG A 162 -6.178 6.854 -5.286 1.00 0.00 C ATOM 320 CD ARG A 162 -5.375 7.860 -6.114 1.00 0.00 C ATOM 321 NE ARG A 162 -5.972 7.973 -7.475 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.267 8.063 -7.614 1.00 0.00 C ATOM 323 NH1 ARG A 162 -7.970 8.742 -6.750 1.00 0.00 N ATOM 324 NH2 ARG A 162 -7.857 7.474 -8.617 1.00 0.00 N ATOM 0 H ARG A 162 -4.307 3.654 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.255 6.316 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.227 5.953 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.495 4.809 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.016 6.474 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.598 7.343 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.375 8.833 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.336 7.540 -6.187 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.369 7.980 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -7.508 9.203 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -8.982 8.812 -6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.307 6.943 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.869 7.544 -8.726 1.00 0.00 H new ATOM 338 N ASP A 163 -7.501 5.427 -2.042 1.00 0.00 N ATOM 339 CA ASP A 163 -8.909 5.043 -1.744 1.00 0.00 C ATOM 340 C ASP A 163 -9.857 6.152 -2.219 1.00 0.00 C ATOM 341 O ASP A 163 -9.808 7.256 -1.713 1.00 0.00 O ATOM 342 CB ASP A 163 -9.072 4.854 -0.234 1.00 0.00 C ATOM 343 CG ASP A 163 -10.473 4.316 0.065 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.149 3.927 -0.872 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.846 4.305 1.226 1.00 0.00 O ATOM 0 H ASP A 163 -7.061 6.036 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.148 4.114 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.318 4.162 0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.918 5.802 0.281 1.00 0.00 H new ATOM 350 N PRO A 164 -10.694 5.830 -3.176 1.00 0.00 N ATOM 351 CA PRO A 164 -11.665 6.789 -3.731 1.00 0.00 C ATOM 352 C PRO A 164 -12.858 6.945 -2.784 1.00 0.00 C ATOM 353 O PRO A 164 -13.549 7.945 -2.799 1.00 0.00 O ATOM 354 CB PRO A 164 -12.095 6.143 -5.051 1.00 0.00 C ATOM 355 CG PRO A 164 -11.803 4.630 -4.910 1.00 0.00 C ATOM 356 CD PRO A 164 -10.753 4.487 -3.791 1.00 0.00 C ATOM 0 HA PRO A 164 -11.252 7.788 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.154 6.318 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.544 6.569 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.712 4.082 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.429 4.219 -5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.046 3.729 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.784 4.189 -4.190 1.00 0.00 H new ATOM 364 N ALA A 165 -13.106 5.964 -1.960 1.00 0.00 N ATOM 365 CA ALA A 165 -14.252 6.057 -1.016 1.00 0.00 C ATOM 366 C ALA A 165 -14.059 7.265 -0.098 1.00 0.00 C ATOM 367 O ALA A 165 -15.001 7.784 0.468 1.00 0.00 O ATOM 368 CB ALA A 165 -14.324 4.782 -0.172 1.00 0.00 C ATOM 0 H ALA A 165 -12.563 5.102 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.178 6.172 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.164 4.850 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.461 3.920 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.398 4.666 0.392 1.00 0.00 H new ATOM 374 N LYS A 166 -12.844 7.715 0.057 1.00 0.00 N ATOM 375 CA LYS A 166 -12.589 8.887 0.941 1.00 0.00 C ATOM 376 C LYS A 166 -12.514 10.161 0.095 1.00 0.00 C ATOM 377 O LYS A 166 -11.642 10.988 0.279 1.00 0.00 O ATOM 378 CB LYS A 166 -11.266 8.686 1.680 1.00 0.00 C ATOM 379 CG LYS A 166 -11.312 7.370 2.459 1.00 0.00 C ATOM 380 CD LYS A 166 -11.978 7.602 3.817 1.00 0.00 C ATOM 381 CE LYS A 166 -10.969 7.327 4.934 1.00 0.00 C ATOM 382 NZ LYS A 166 -11.700 7.049 6.204 1.00 0.00 N ATOM 0 H LYS A 166 -12.016 7.321 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.400 8.981 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.439 8.672 0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.087 9.518 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.866 6.620 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.303 6.983 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.342 8.627 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.844 6.949 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.340 6.477 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -10.308 8.185 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -11.016 6.862 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -12.282 7.873 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -12.313 6.218 6.077 1.00 0.00 H new ATOM 396 N ASN A 167 -13.422 10.328 -0.827 1.00 0.00 N ATOM 397 CA ASN A 167 -13.402 11.550 -1.681 1.00 0.00 C ATOM 398 C ASN A 167 -12.052 11.656 -2.396 1.00 0.00 C ATOM 399 O ASN A 167 -11.657 12.716 -2.839 1.00 0.00 O ATOM 400 CB ASN A 167 -13.613 12.786 -0.803 1.00 0.00 C ATOM 401 CG ASN A 167 -14.469 13.807 -1.555 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.956 14.777 -2.079 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.759 13.632 -1.630 1.00 0.00 N ATOM 0 H ASN A 167 -14.177 9.672 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.199 11.488 -2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.101 12.503 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.651 13.226 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.337 14.309 -2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.190 12.818 -1.191 1.00 0.00 H new ATOM 410 N GLY A 168 -11.341 10.567 -2.511 1.00 0.00 N ATOM 411 CA GLY A 168 -10.018 10.609 -3.196 1.00 0.00 C ATOM 412 C GLY A 168 -8.942 11.049 -2.201 1.00 0.00 C ATOM 413 O GLY A 168 -8.089 11.856 -2.510 1.00 0.00 O ATOM 0 H GLY A 168 -11.619 9.651 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.775 9.626 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.054 11.300 -4.038 1.00 0.00 H new ATOM 417 N ALA A 169 -8.978 10.525 -1.007 1.00 0.00 N ATOM 418 CA ALA A 169 -7.960 10.914 0.010 1.00 0.00 C ATOM 419 C ALA A 169 -6.798 9.920 -0.020 1.00 0.00 C ATOM 420 O ALA A 169 -6.933 8.780 0.381 1.00 0.00 O ATOM 421 CB ALA A 169 -8.601 10.903 1.400 1.00 0.00 C ATOM 0 H ALA A 169 -9.669 9.844 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.588 11.914 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.858 11.187 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.429 11.611 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.973 9.903 1.621 1.00 0.00 H new ATOM 427 N ARG A 170 -5.653 10.340 -0.486 1.00 0.00 N ATOM 428 CA ARG A 170 -4.488 9.414 -0.531 1.00 0.00 C ATOM 429 C ARG A 170 -4.249 8.844 0.867 1.00 0.00 C ATOM 430 O ARG A 170 -4.537 9.480 1.862 1.00 0.00 O ATOM 431 CB ARG A 170 -3.244 10.177 -0.994 1.00 0.00 C ATOM 432 CG ARG A 170 -2.806 11.158 0.097 1.00 0.00 C ATOM 433 CD ARG A 170 -2.326 12.459 -0.550 1.00 0.00 C ATOM 434 NE ARG A 170 -1.587 13.274 0.456 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.206 14.488 0.158 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.061 14.685 -0.436 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.972 15.502 0.453 1.00 0.00 N ATOM 0 H ARG A 170 -5.475 11.281 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.691 8.602 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.437 9.478 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.458 10.716 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.636 11.360 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.007 10.720 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.680 12.238 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.177 13.021 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.379 12.885 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.537 13.891 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.236 15.633 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.868 15.347 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.675 16.450 0.221 1.00 0.00 H new ATOM 451 N VAL A 171 -3.732 7.649 0.958 1.00 0.00 N ATOM 452 CA VAL A 171 -3.489 7.051 2.300 1.00 0.00 C ATOM 453 C VAL A 171 -2.067 6.491 2.371 1.00 0.00 C ATOM 454 O VAL A 171 -1.835 5.324 2.127 1.00 0.00 O ATOM 455 CB VAL A 171 -4.501 5.929 2.549 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.046 5.070 3.731 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.864 6.545 2.866 1.00 0.00 C ATOM 0 H VAL A 171 -3.469 7.064 0.165 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.605 7.820 3.064 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.574 5.304 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.771 4.274 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.072 4.633 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.971 5.690 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.589 5.751 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.783 7.169 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.193 7.154 2.024 1.00 0.00 H new ATOM 467 N TRP A 172 -1.117 7.312 2.720 1.00 0.00 N ATOM 468 CA TRP A 172 0.286 6.824 2.825 1.00 0.00 C ATOM 469 C TRP A 172 0.415 5.978 4.093 1.00 0.00 C ATOM 470 O TRP A 172 0.536 6.494 5.186 1.00 0.00 O ATOM 471 CB TRP A 172 1.240 8.022 2.899 1.00 0.00 C ATOM 472 CG TRP A 172 2.655 7.543 3.023 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.147 6.825 4.060 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.769 7.739 2.102 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.486 6.571 3.835 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.916 7.111 2.644 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.895 8.395 0.862 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.143 7.130 1.983 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.131 8.416 0.191 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.253 7.785 0.752 1.00 0.00 C ATOM 0 H TRP A 172 -1.251 8.300 2.937 1.00 0.00 H new ATOM 0 HA TRP A 172 0.541 6.223 1.952 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.133 8.638 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.984 8.650 3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.584 6.503 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.084 6.047 4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.038 8.885 0.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.003 6.642 2.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.218 8.920 -0.760 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.200 7.805 0.233 1.00 0.00 H new ATOM 491 N LEU A 173 0.374 4.681 3.958 1.00 0.00 N ATOM 492 CA LEU A 173 0.485 3.803 5.157 1.00 0.00 C ATOM 493 C LEU A 173 1.743 4.173 5.941 1.00 0.00 C ATOM 494 O LEU A 173 1.691 4.458 7.122 1.00 0.00 O ATOM 495 CB LEU A 173 0.574 2.341 4.717 1.00 0.00 C ATOM 496 CG LEU A 173 -0.820 1.834 4.343 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.729 0.973 3.082 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.381 0.992 5.493 1.00 0.00 C ATOM 0 H LEU A 173 0.268 4.191 3.069 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.394 3.939 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.247 2.247 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.990 1.733 5.520 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.477 2.683 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.722 0.612 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.328 1.569 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.072 0.124 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.374 0.630 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.723 0.143 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.446 1.603 6.393 1.00 0.00 H new ATOM 510 N GLY A 174 2.874 4.172 5.294 1.00 0.00 N ATOM 511 CA GLY A 174 4.137 4.524 6.002 1.00 0.00 C ATOM 512 C GLY A 174 5.326 3.905 5.270 1.00 0.00 C ATOM 513 O GLY A 174 5.201 2.896 4.605 1.00 0.00 O ATOM 0 H GLY A 174 2.979 3.943 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.250 5.607 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.102 4.163 7.030 1.00 0.00 H new ATOM 517 N THR A 175 6.478 4.502 5.387 1.00 0.00 N ATOM 518 CA THR A 175 7.675 3.949 4.697 1.00 0.00 C ATOM 519 C THR A 175 8.039 2.599 5.317 1.00 0.00 C ATOM 520 O THR A 175 7.756 2.338 6.469 1.00 0.00 O ATOM 521 CB THR A 175 8.848 4.920 4.853 1.00 0.00 C ATOM 522 OG1 THR A 175 9.510 4.665 6.084 1.00 0.00 O ATOM 523 CG2 THR A 175 8.331 6.359 4.837 1.00 0.00 C ATOM 0 H THR A 175 6.642 5.349 5.931 1.00 0.00 H new ATOM 0 HA THR A 175 7.457 3.814 3.638 1.00 0.00 H new ATOM 0 HB THR A 175 9.547 4.781 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.263 5.285 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.168 7.048 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.825 6.553 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.631 6.503 5.660 1.00 0.00 H new ATOM 531 N PHE A 176 8.661 1.737 4.560 1.00 0.00 N ATOM 532 CA PHE A 176 9.037 0.403 5.104 1.00 0.00 C ATOM 533 C PHE A 176 10.532 0.163 4.883 1.00 0.00 C ATOM 534 O PHE A 176 11.254 1.037 4.446 1.00 0.00 O ATOM 535 CB PHE A 176 8.240 -0.681 4.379 1.00 0.00 C ATOM 536 CG PHE A 176 6.817 -0.658 4.870 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.905 0.261 4.335 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.408 -1.552 5.868 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.584 0.286 4.798 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.088 -1.527 6.330 1.00 0.00 C ATOM 541 CZ PHE A 176 4.174 -0.608 5.796 1.00 0.00 C ATOM 0 H PHE A 176 8.925 1.900 3.588 1.00 0.00 H new ATOM 0 HA PHE A 176 8.817 0.371 6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.269 -0.512 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.685 -1.659 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.221 0.950 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.111 -2.260 6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.881 0.995 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.773 -2.217 7.099 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.155 -0.589 6.153 1.00 0.00 H new ATOM 551 N GLU A 177 11.000 -1.019 5.178 1.00 0.00 N ATOM 552 CA GLU A 177 12.446 -1.319 4.980 1.00 0.00 C ATOM 553 C GLU A 177 12.646 -1.947 3.600 1.00 0.00 C ATOM 554 O GLU A 177 13.689 -1.815 2.990 1.00 0.00 O ATOM 555 CB GLU A 177 12.916 -2.297 6.059 1.00 0.00 C ATOM 556 CG GLU A 177 12.578 -1.734 7.441 1.00 0.00 C ATOM 557 CD GLU A 177 11.986 -2.843 8.313 1.00 0.00 C ATOM 558 OE1 GLU A 177 10.818 -3.148 8.137 1.00 0.00 O ATOM 559 OE2 GLU A 177 12.711 -3.369 9.142 1.00 0.00 O ATOM 0 H GLU A 177 10.443 -1.790 5.548 1.00 0.00 H new ATOM 0 HA GLU A 177 13.024 -0.398 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.435 -3.265 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.990 -2.460 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.475 -1.328 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 177 11.868 -0.912 7.347 1.00 0.00 H new ATOM 566 N THR A 178 11.651 -2.629 3.102 1.00 0.00 N ATOM 567 CA THR A 178 11.778 -3.265 1.761 1.00 0.00 C ATOM 568 C THR A 178 10.457 -3.122 1.003 1.00 0.00 C ATOM 569 O THR A 178 9.461 -2.691 1.551 1.00 0.00 O ATOM 570 CB THR A 178 12.109 -4.749 1.932 1.00 0.00 C ATOM 571 OG1 THR A 178 10.908 -5.477 2.148 1.00 0.00 O ATOM 572 CG2 THR A 178 13.044 -4.931 3.129 1.00 0.00 C ATOM 0 H THR A 178 10.755 -2.773 3.567 1.00 0.00 H new ATOM 0 HA THR A 178 12.574 -2.776 1.200 1.00 0.00 H new ATOM 0 HB THR A 178 12.601 -5.119 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.117 -6.428 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.279 -5.989 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.964 -4.372 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.556 -4.563 4.031 1.00 0.00 H new ATOM 580 N ALA A 179 10.438 -3.480 -0.251 1.00 0.00 N ATOM 581 CA ALA A 179 9.182 -3.365 -1.041 1.00 0.00 C ATOM 582 C ALA A 179 8.232 -4.498 -0.654 1.00 0.00 C ATOM 583 O ALA A 179 7.034 -4.389 -0.797 1.00 0.00 O ATOM 584 CB ALA A 179 9.509 -3.460 -2.532 1.00 0.00 C ATOM 0 H ALA A 179 11.240 -3.848 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 179 8.707 -2.406 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.590 -3.376 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.187 -2.653 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.983 -4.419 -2.740 1.00 0.00 H new ATOM 590 N GLU A 180 8.762 -5.588 -0.167 1.00 0.00 N ATOM 591 CA GLU A 180 7.889 -6.731 0.228 1.00 0.00 C ATOM 592 C GLU A 180 7.166 -6.396 1.533 1.00 0.00 C ATOM 593 O GLU A 180 6.025 -6.762 1.732 1.00 0.00 O ATOM 594 CB GLU A 180 8.746 -7.982 0.425 1.00 0.00 C ATOM 595 CG GLU A 180 7.849 -9.222 0.425 1.00 0.00 C ATOM 596 CD GLU A 180 7.481 -9.587 1.864 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.375 -9.613 2.695 1.00 0.00 O ATOM 598 OE2 GLU A 180 6.312 -9.834 2.112 1.00 0.00 O ATOM 0 H GLU A 180 9.761 -5.736 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 180 7.154 -6.914 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.487 -8.057 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.293 -7.916 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.946 -9.030 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.364 -10.056 -0.052 1.00 0.00 H new ATOM 605 N ASP A 181 7.816 -5.700 2.422 1.00 0.00 N ATOM 606 CA ASP A 181 7.159 -5.340 3.709 1.00 0.00 C ATOM 607 C ASP A 181 6.153 -4.216 3.457 1.00 0.00 C ATOM 608 O ASP A 181 5.068 -4.204 4.005 1.00 0.00 O ATOM 609 CB ASP A 181 8.207 -4.865 4.720 1.00 0.00 C ATOM 610 CG ASP A 181 9.567 -5.492 4.406 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.583 -6.619 3.938 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.568 -4.836 4.637 1.00 0.00 O ATOM 0 H ASP A 181 8.773 -5.365 2.314 1.00 0.00 H new ATOM 0 HA ASP A 181 6.649 -6.216 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.284 -3.778 4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.898 -5.136 5.730 1.00 0.00 H new ATOM 617 N ALA A 182 6.506 -3.272 2.629 1.00 0.00 N ATOM 618 CA ALA A 182 5.572 -2.149 2.338 1.00 0.00 C ATOM 619 C ALA A 182 4.407 -2.666 1.495 1.00 0.00 C ATOM 620 O ALA A 182 3.298 -2.177 1.588 1.00 0.00 O ATOM 621 CB ALA A 182 6.315 -1.053 1.570 1.00 0.00 C ATOM 0 H ALA A 182 7.401 -3.230 2.141 1.00 0.00 H new ATOM 0 HA ALA A 182 5.190 -1.739 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.632 -0.231 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.147 -0.687 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.697 -1.460 0.633 1.00 0.00 H new ATOM 627 N ALA A 183 4.646 -3.655 0.679 1.00 0.00 N ATOM 628 CA ALA A 183 3.547 -4.206 -0.160 1.00 0.00 C ATOM 629 C ALA A 183 2.614 -5.029 0.728 1.00 0.00 C ATOM 630 O ALA A 183 1.410 -5.010 0.569 1.00 0.00 O ATOM 631 CB ALA A 183 4.132 -5.098 -1.258 1.00 0.00 C ATOM 0 H ALA A 183 5.554 -4.104 0.557 1.00 0.00 H new ATOM 0 HA ALA A 183 2.993 -3.390 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.324 -5.499 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.804 -4.511 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.685 -5.920 -0.803 1.00 0.00 H new ATOM 637 N LEU A 184 3.166 -5.746 1.671 1.00 0.00 N ATOM 638 CA LEU A 184 2.319 -6.565 2.581 1.00 0.00 C ATOM 639 C LEU A 184 1.426 -5.637 3.403 1.00 0.00 C ATOM 640 O LEU A 184 0.241 -5.865 3.554 1.00 0.00 O ATOM 641 CB LEU A 184 3.218 -7.377 3.517 1.00 0.00 C ATOM 642 CG LEU A 184 2.359 -8.290 4.392 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.702 -9.362 3.522 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.244 -8.963 5.445 1.00 0.00 C ATOM 0 H LEU A 184 4.169 -5.799 1.849 1.00 0.00 H new ATOM 0 HA LEU A 184 1.699 -7.245 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.922 -7.972 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.808 -6.707 4.143 1.00 0.00 H new ATOM 0 HG LEU A 184 1.587 -7.699 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.090 -10.013 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.074 -8.885 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.473 -9.954 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.634 -9.615 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.015 -9.553 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.714 -8.201 6.066 1.00 0.00 H new ATOM 656 N ALA A 185 1.986 -4.583 3.928 1.00 0.00 N ATOM 657 CA ALA A 185 1.172 -3.631 4.733 1.00 0.00 C ATOM 658 C ALA A 185 0.143 -2.965 3.820 1.00 0.00 C ATOM 659 O ALA A 185 -0.919 -2.564 4.251 1.00 0.00 O ATOM 660 CB ALA A 185 2.085 -2.564 5.340 1.00 0.00 C ATOM 0 H ALA A 185 2.972 -4.340 3.834 1.00 0.00 H new ATOM 0 HA ALA A 185 0.663 -4.165 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.489 -1.867 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.825 -3.041 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.592 -2.022 4.542 1.00 0.00 H new ATOM 666 N TYR A 186 0.453 -2.850 2.556 1.00 0.00 N ATOM 667 CA TYR A 186 -0.505 -2.217 1.607 1.00 0.00 C ATOM 668 C TYR A 186 -1.739 -3.107 1.470 1.00 0.00 C ATOM 669 O TYR A 186 -2.835 -2.633 1.244 1.00 0.00 O ATOM 670 CB TYR A 186 0.167 -2.059 0.241 1.00 0.00 C ATOM 671 CG TYR A 186 -0.869 -1.700 -0.795 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.719 -2.689 -1.308 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.982 -0.378 -1.244 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.680 -2.356 -2.270 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.943 -0.045 -2.206 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.793 -1.034 -2.720 1.00 0.00 C ATOM 677 OH TYR A 186 -3.741 -0.706 -3.667 1.00 0.00 O ATOM 0 H TYR A 186 1.329 -3.168 2.141 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.802 -1.237 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.932 -1.284 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.669 -2.986 -0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.633 -3.708 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.328 0.385 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.335 -3.119 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.029 0.974 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.686 0.252 -3.867 1.00 0.00 H new ATOM 687 N ASP A 187 -1.572 -4.393 1.605 1.00 0.00 N ATOM 688 CA ASP A 187 -2.733 -5.313 1.486 1.00 0.00 C ATOM 689 C ASP A 187 -3.677 -5.095 2.667 1.00 0.00 C ATOM 690 O ASP A 187 -4.854 -4.840 2.501 1.00 0.00 O ATOM 691 CB ASP A 187 -2.229 -6.756 1.498 1.00 0.00 C ATOM 692 CG ASP A 187 -1.027 -6.886 0.561 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.043 -6.255 -0.483 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.112 -7.616 0.903 1.00 0.00 O ATOM 0 H ASP A 187 -0.678 -4.846 1.793 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.266 -5.116 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.947 -7.045 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.024 -7.432 1.183 1.00 0.00 H new ATOM 699 N ARG A 188 -3.165 -5.199 3.858 1.00 0.00 N ATOM 700 CA ARG A 188 -4.020 -5.004 5.063 1.00 0.00 C ATOM 701 C ARG A 188 -4.766 -3.671 4.963 1.00 0.00 C ATOM 702 O ARG A 188 -5.867 -3.528 5.456 1.00 0.00 O ATOM 703 CB ARG A 188 -3.139 -4.999 6.314 1.00 0.00 C ATOM 704 CG ARG A 188 -3.827 -5.789 7.429 1.00 0.00 C ATOM 705 CD ARG A 188 -3.373 -7.249 7.377 1.00 0.00 C ATOM 706 NE ARG A 188 -2.787 -7.630 8.692 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.665 -8.890 9.017 1.00 0.00 C ATOM 708 NH1 ARG A 188 -3.034 -9.823 8.182 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.174 -9.216 10.182 1.00 0.00 N ATOM 0 H ARG A 188 -2.187 -5.412 4.052 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.744 -5.817 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.168 -5.439 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.957 -3.975 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.583 -5.356 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.910 -5.730 7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -4.218 -7.896 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.637 -7.385 6.585 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.480 -6.905 9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.419 -9.570 7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.937 -10.805 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -1.887 -8.488 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.078 -10.199 10.438 1.00 0.00 H new ATOM 723 N ALA A 189 -4.176 -2.691 4.334 1.00 0.00 N ATOM 724 CA ALA A 189 -4.856 -1.369 4.215 1.00 0.00 C ATOM 725 C ALA A 189 -5.843 -1.396 3.045 1.00 0.00 C ATOM 726 O ALA A 189 -6.846 -0.710 3.052 1.00 0.00 O ATOM 727 CB ALA A 189 -3.811 -0.278 3.975 1.00 0.00 C ATOM 0 H ALA A 189 -3.255 -2.748 3.899 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.398 -1.160 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.307 0.688 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.112 -0.253 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.268 -0.491 3.054 1.00 0.00 H new ATOM 733 N ALA A 190 -5.569 -2.182 2.040 1.00 0.00 N ATOM 734 CA ALA A 190 -6.496 -2.245 0.875 1.00 0.00 C ATOM 735 C ALA A 190 -7.589 -3.279 1.149 1.00 0.00 C ATOM 736 O ALA A 190 -8.477 -3.482 0.348 1.00 0.00 O ATOM 737 CB ALA A 190 -5.716 -2.645 -0.379 1.00 0.00 C ATOM 0 H ALA A 190 -4.746 -2.781 1.975 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.952 -1.267 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.395 -2.691 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.938 -1.907 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.259 -3.623 -0.227 1.00 0.00 H new ATOM 743 N PHE A 191 -7.537 -3.932 2.277 1.00 0.00 N ATOM 744 CA PHE A 191 -8.580 -4.943 2.598 1.00 0.00 C ATOM 745 C PHE A 191 -9.556 -4.343 3.610 1.00 0.00 C ATOM 746 O PHE A 191 -10.728 -4.657 3.623 1.00 0.00 O ATOM 747 CB PHE A 191 -7.924 -6.190 3.192 1.00 0.00 C ATOM 748 CG PHE A 191 -8.546 -7.426 2.588 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.692 -7.987 3.169 1.00 0.00 C ATOM 750 CD2 PHE A 191 -7.980 -8.013 1.448 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.270 -9.135 2.609 1.00 0.00 C ATOM 752 CE2 PHE A 191 -8.558 -9.160 0.889 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.703 -9.721 1.469 1.00 0.00 C ATOM 0 H PHE A 191 -6.817 -3.808 2.989 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.115 -5.222 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.852 -6.177 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -8.050 -6.199 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.129 -7.535 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.097 -7.581 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.153 -9.568 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.121 -9.612 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.149 -10.605 1.038 1.00 0.00 H new ATOM 763 N ARG A 192 -9.079 -3.470 4.452 1.00 0.00 N ATOM 764 CA ARG A 192 -9.976 -2.837 5.457 1.00 0.00 C ATOM 765 C ARG A 192 -10.801 -1.750 4.771 1.00 0.00 C ATOM 766 O ARG A 192 -11.975 -1.583 5.031 1.00 0.00 O ATOM 767 CB ARG A 192 -9.130 -2.203 6.560 1.00 0.00 C ATOM 768 CG ARG A 192 -8.569 -3.296 7.471 1.00 0.00 C ATOM 769 CD ARG A 192 -8.300 -2.714 8.860 1.00 0.00 C ATOM 770 NE ARG A 192 -6.907 -3.040 9.276 1.00 0.00 N ATOM 771 CZ ARG A 192 -6.603 -3.103 10.543 1.00 0.00 C ATOM 772 NH1 ARG A 192 -6.462 -2.006 11.234 1.00 0.00 N ATOM 773 NH2 ARG A 192 -6.442 -4.263 11.118 1.00 0.00 N ATOM 0 H ARG A 192 -8.106 -3.167 4.487 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.637 -3.589 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.315 -1.628 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.735 -1.507 7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.275 -4.123 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.648 -3.699 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.443 -1.634 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.010 -3.121 9.580 1.00 0.00 H new ATOM 0 HE ARG A 192 -6.191 -3.214 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -6.589 -1.100 10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -6.224 -2.054 12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -6.554 -5.120 10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -6.204 -4.313 12.109 1.00 0.00 H new ATOM 787 N MET A 193 -10.182 -1.005 3.900 1.00 0.00 N ATOM 788 CA MET A 193 -10.908 0.086 3.194 1.00 0.00 C ATOM 789 C MET A 193 -11.712 -0.481 2.020 1.00 0.00 C ATOM 790 O MET A 193 -12.758 0.029 1.673 1.00 0.00 O ATOM 791 CB MET A 193 -9.895 1.105 2.671 1.00 0.00 C ATOM 792 CG MET A 193 -9.546 2.090 3.787 1.00 0.00 C ATOM 793 SD MET A 193 -7.747 2.219 3.937 1.00 0.00 S ATOM 794 CE MET A 193 -7.458 3.120 2.395 1.00 0.00 C ATOM 0 H MET A 193 -9.199 -1.105 3.645 1.00 0.00 H new ATOM 0 HA MET A 193 -11.595 0.566 3.891 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.995 0.596 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.308 1.639 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.975 3.068 3.570 1.00 0.00 H new ATOM 0 HG3 MET A 193 -9.977 1.755 4.730 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.435 3.496 2.380 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.611 2.451 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.153 3.957 2.327 1.00 0.00 H new ATOM 804 N ARG A 194 -11.234 -1.524 1.398 1.00 0.00 N ATOM 805 CA ARG A 194 -11.982 -2.099 0.242 1.00 0.00 C ATOM 806 C ARG A 194 -12.944 -3.186 0.729 1.00 0.00 C ATOM 807 O ARG A 194 -13.682 -3.765 -0.044 1.00 0.00 O ATOM 808 CB ARG A 194 -10.994 -2.695 -0.763 1.00 0.00 C ATOM 809 CG ARG A 194 -10.007 -1.613 -1.208 1.00 0.00 C ATOM 810 CD ARG A 194 -10.001 -1.518 -2.736 1.00 0.00 C ATOM 811 NE ARG A 194 -10.507 -0.180 -3.153 1.00 0.00 N ATOM 812 CZ ARG A 194 -11.727 -0.054 -3.598 1.00 0.00 C ATOM 813 NH1 ARG A 194 -12.038 -0.501 -4.785 1.00 0.00 N ATOM 814 NH2 ARG A 194 -12.636 0.522 -2.860 1.00 0.00 N ATOM 0 H ARG A 194 -10.364 -2.001 1.637 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.556 -1.308 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.457 -3.529 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.530 -3.091 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.286 -0.652 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.007 -1.848 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.991 -1.671 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.625 -2.304 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.900 0.637 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.327 -0.948 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -12.992 -0.403 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -12.393 0.874 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -13.589 0.620 -3.209 1.00 0.00 H new ATOM 828 N GLY A 195 -12.952 -3.466 2.003 1.00 0.00 N ATOM 829 CA GLY A 195 -13.878 -4.510 2.528 1.00 0.00 C ATOM 830 C GLY A 195 -13.262 -5.898 2.341 1.00 0.00 C ATOM 831 O GLY A 195 -12.060 -6.063 2.357 1.00 0.00 O ATOM 0 H GLY A 195 -12.359 -3.019 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.079 -4.332 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.834 -4.454 2.008 1.00 0.00 H new ATOM 835 N SER A 196 -14.081 -6.900 2.168 1.00 0.00 N ATOM 836 CA SER A 196 -13.545 -8.278 1.987 1.00 0.00 C ATOM 837 C SER A 196 -12.704 -8.345 0.707 1.00 0.00 C ATOM 838 O SER A 196 -11.546 -7.981 0.698 1.00 0.00 O ATOM 839 CB SER A 196 -14.709 -9.267 1.898 1.00 0.00 C ATOM 840 OG SER A 196 -15.803 -8.647 1.234 1.00 0.00 O ATOM 0 H SER A 196 -15.098 -6.823 2.144 1.00 0.00 H new ATOM 0 HA SER A 196 -12.914 -8.537 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.400 -10.162 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.008 -9.585 2.897 1.00 0.00 H new ATOM 0 HG SER A 196 -16.550 -9.279 1.174 1.00 0.00 H new ATOM 846 N ARG A 197 -13.272 -8.811 -0.376 1.00 0.00 N ATOM 847 CA ARG A 197 -12.494 -8.901 -1.644 1.00 0.00 C ATOM 848 C ARG A 197 -11.783 -7.572 -1.912 1.00 0.00 C ATOM 849 O ARG A 197 -12.223 -6.524 -1.485 1.00 0.00 O ATOM 850 CB ARG A 197 -13.444 -9.212 -2.804 1.00 0.00 C ATOM 851 CG ARG A 197 -14.010 -10.625 -2.640 1.00 0.00 C ATOM 852 CD ARG A 197 -14.749 -11.037 -3.919 1.00 0.00 C ATOM 853 NE ARG A 197 -15.292 -9.824 -4.596 1.00 0.00 N ATOM 854 CZ ARG A 197 -16.574 -9.714 -4.811 1.00 0.00 C ATOM 855 NH1 ARG A 197 -17.376 -9.397 -3.831 1.00 0.00 N ATOM 856 NH2 ARG A 197 -17.056 -9.919 -6.007 1.00 0.00 N ATOM 0 H ARG A 197 -14.238 -9.132 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.752 -9.695 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.256 -8.485 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.914 -9.129 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.204 -11.328 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.690 -10.658 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.071 -11.566 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -15.560 -11.724 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.660 -9.080 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -17.000 -9.235 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -18.378 -9.311 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -16.430 -10.165 -6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -18.058 -9.833 -6.175 1.00 0.00 H new ATOM 870 N ALA A 198 -10.687 -7.611 -2.619 1.00 0.00 N ATOM 871 CA ALA A 198 -9.944 -6.355 -2.920 1.00 0.00 C ATOM 872 C ALA A 198 -8.692 -6.692 -3.732 1.00 0.00 C ATOM 873 O ALA A 198 -8.243 -7.821 -3.754 1.00 0.00 O ATOM 874 CB ALA A 198 -9.537 -5.676 -1.610 1.00 0.00 C ATOM 0 H ALA A 198 -10.273 -8.461 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.581 -5.681 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.993 -4.757 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.429 -5.440 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.898 -6.347 -1.036 1.00 0.00 H new ATOM 880 N LEU A 199 -8.127 -5.727 -4.406 1.00 0.00 N ATOM 881 CA LEU A 199 -6.909 -6.004 -5.219 1.00 0.00 C ATOM 882 C LEU A 199 -5.659 -5.594 -4.437 1.00 0.00 C ATOM 883 O LEU A 199 -5.411 -4.427 -4.209 1.00 0.00 O ATOM 884 CB LEU A 199 -6.974 -5.206 -6.524 1.00 0.00 C ATOM 885 CG LEU A 199 -7.989 -5.854 -7.468 1.00 0.00 C ATOM 886 CD1 LEU A 199 -9.370 -5.240 -7.233 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.564 -5.612 -8.918 1.00 0.00 C ATOM 0 H LEU A 199 -8.455 -4.762 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.862 -7.070 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.260 -4.174 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.991 -5.177 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.031 -6.926 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -10.093 -5.702 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.674 -5.412 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -9.329 -4.168 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.287 -6.073 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.522 -4.540 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.580 -6.050 -9.087 1.00 0.00 H new ATOM 899 N LEU A 200 -4.865 -6.548 -4.030 1.00 0.00 N ATOM 900 CA LEU A 200 -3.625 -6.216 -3.271 1.00 0.00 C ATOM 901 C LEU A 200 -2.425 -6.834 -3.985 1.00 0.00 C ATOM 902 O LEU A 200 -2.572 -7.606 -4.913 1.00 0.00 O ATOM 903 CB LEU A 200 -3.700 -6.774 -1.840 1.00 0.00 C ATOM 904 CG LEU A 200 -4.982 -7.587 -1.644 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.828 -8.502 -0.426 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.153 -6.632 -1.415 1.00 0.00 C ATOM 0 H LEU A 200 -5.022 -7.543 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.522 -5.132 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.831 -7.402 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.670 -5.954 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.169 -8.193 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.742 -9.080 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.990 -9.180 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.643 -7.898 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.069 -7.206 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.963 -6.030 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.264 -5.978 -2.280 1.00 0.00 H new ATOM 918 N ASN A 201 -1.234 -6.518 -3.554 1.00 0.00 N ATOM 919 CA ASN A 201 -0.034 -7.111 -4.210 1.00 0.00 C ATOM 920 C ASN A 201 0.052 -8.580 -3.806 1.00 0.00 C ATOM 921 O ASN A 201 0.484 -9.424 -4.566 1.00 0.00 O ATOM 922 CB ASN A 201 1.249 -6.394 -3.762 1.00 0.00 C ATOM 923 CG ASN A 201 0.923 -5.006 -3.207 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.315 -4.693 -2.003 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.305 -4.200 -3.875 1.00 0.00 N flip ATOM 0 H ASN A 201 -1.041 -5.880 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 201 -0.128 -7.004 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.756 -6.986 -3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 201 1.935 -6.303 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 201 -0.001 -4.446 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.093 -3.278 -3.494 1.00 0.00 H new ATOM 932 N PHE A 202 -0.366 -8.887 -2.608 1.00 0.00 N ATOM 933 CA PHE A 202 -0.323 -10.297 -2.135 1.00 0.00 C ATOM 934 C PHE A 202 -1.739 -10.742 -1.757 1.00 0.00 C ATOM 935 O PHE A 202 -2.066 -10.837 -0.591 1.00 0.00 O ATOM 936 CB PHE A 202 0.588 -10.396 -0.906 1.00 0.00 C ATOM 937 CG PHE A 202 1.887 -9.678 -1.176 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.433 -9.680 -2.464 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.552 -9.019 -0.134 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.643 -9.021 -2.714 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.763 -8.360 -0.383 1.00 0.00 C ATOM 942 CZ PHE A 202 4.309 -8.361 -1.673 1.00 0.00 C ATOM 0 H PHE A 202 -0.737 -8.217 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 202 0.066 -10.938 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.093 -9.959 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.782 -11.442 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 202 1.921 -10.190 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.131 -9.019 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.063 -9.022 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.276 -7.851 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.243 -7.853 -1.865 1.00 0.00 H new ATOM 952 N PRO A 203 -2.538 -11.001 -2.760 1.00 0.00 N ATOM 953 CA PRO A 203 -3.933 -11.437 -2.572 1.00 0.00 C ATOM 954 C PRO A 203 -3.981 -12.910 -2.160 1.00 0.00 C ATOM 955 O PRO A 203 -3.798 -13.799 -2.967 1.00 0.00 O ATOM 956 CB PRO A 203 -4.565 -11.231 -3.953 1.00 0.00 C ATOM 957 CG PRO A 203 -3.398 -11.231 -4.969 1.00 0.00 C ATOM 958 CD PRO A 203 -2.125 -10.886 -4.175 1.00 0.00 C ATOM 0 HA PRO A 203 -4.453 -10.887 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.276 -12.026 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -5.115 -10.291 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.303 -12.204 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.572 -10.501 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.311 -11.572 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.771 -9.881 -4.406 1.00 0.00 H new