USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 353 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 187 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 177 THR OG1 : rot 132:sc= 1.15 USER MOD Set 2.2: A 179 ASN : amide:sc= 0.124 K(o=1.3,f=-2.2) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 0.864 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 176:sc= 1.03 (180deg=0.00926) USER MOD Single : A 148 THR OG1 : rot 180:sc=-0.00393 USER MOD Single : A 157 GLN : amide:sc= 0.886 K(o=0.89,f=-6.4!) USER MOD Single : A 159 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-1.9) USER MOD Single : A 164 ASN : amide:sc= -0.0807 X(o=-0.081,f=-0.28) USER MOD Single : A 171 LYS NZ :NH3+ 167:sc= -0.0448 (180deg=-0.343) USER MOD Single : A 182 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.18) USER MOD Single : A 183 ASN : amide:sc= -0.0916 X(o=-0.092,f=0.27) USER MOD Single : A 184 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.2) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 MET CE :methyl -178:sc= -0.0567 (180deg=-0.066) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.865 -10.465 -12.342 1.00 0.00 N ATOM 121 CA TRP A 147 13.785 -9.661 -13.134 1.00 0.00 C ATOM 122 C TRP A 147 13.415 -9.760 -14.615 1.00 0.00 C ATOM 123 O TRP A 147 12.681 -10.664 -15.015 1.00 0.00 O ATOM 124 CB TRP A 147 15.212 -10.176 -12.918 1.00 0.00 C ATOM 125 CG TRP A 147 15.882 -9.708 -11.661 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.351 -9.726 -10.425 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.224 -9.161 -11.495 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.238 -9.231 -9.501 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.423 -8.860 -10.110 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.301 -8.887 -12.368 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.615 -8.317 -9.625 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.505 -8.336 -11.883 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.658 -8.051 -10.516 1.00 0.00 C ATOM 0 HA TRP A 147 13.722 -8.618 -12.824 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.190 -11.266 -12.914 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.822 -9.873 -13.769 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.359 -10.082 -10.191 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.049 -9.148 -8.502 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.201 -9.103 -13.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.729 -8.105 -8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.315 -8.132 -12.567 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.582 -7.626 -10.153 1.00 0.00 H new ATOM 144 N THR A 148 13.938 -8.831 -15.424 1.00 0.00 N ATOM 145 CA THR A 148 13.702 -8.824 -16.859 1.00 0.00 C ATOM 146 C THR A 148 14.869 -9.516 -17.564 1.00 0.00 C ATOM 147 O THR A 148 15.959 -9.638 -17.000 1.00 0.00 O ATOM 148 CB THR A 148 13.545 -7.378 -17.344 1.00 0.00 C ATOM 149 OG1 THR A 148 14.599 -6.590 -16.838 1.00 0.00 O ATOM 150 CG2 THR A 148 12.211 -6.809 -16.856 1.00 0.00 C ATOM 0 H THR A 148 14.533 -8.070 -15.097 1.00 0.00 H new ATOM 0 HA THR A 148 12.785 -9.365 -17.092 1.00 0.00 H new ATOM 0 HB THR A 148 13.569 -7.364 -18.434 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.497 -5.667 -17.151 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.105 -5.781 -17.204 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.393 -7.412 -17.250 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.184 -6.828 -15.767 1.00 0.00 H new ATOM 158 N GLU A 149 14.636 -9.971 -18.801 1.00 0.00 N ATOM 159 CA GLU A 149 15.652 -10.665 -19.581 1.00 0.00 C ATOM 160 C GLU A 149 16.888 -9.781 -19.753 1.00 0.00 C ATOM 161 O GLU A 149 18.013 -10.237 -19.569 1.00 0.00 O ATOM 162 CB GLU A 149 15.068 -11.039 -20.950 1.00 0.00 C ATOM 163 CG GLU A 149 13.927 -12.045 -20.776 1.00 0.00 C ATOM 164 CD GLU A 149 13.339 -12.432 -22.126 1.00 0.00 C ATOM 165 OE1 GLU A 149 12.514 -11.641 -22.632 1.00 0.00 O ATOM 166 OE2 GLU A 149 13.725 -13.511 -22.627 1.00 0.00 O ATOM 0 H GLU A 149 13.742 -9.867 -19.281 1.00 0.00 H new ATOM 0 HA GLU A 149 15.954 -11.572 -19.056 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.702 -10.145 -21.455 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.847 -11.466 -21.582 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.295 -12.935 -20.266 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.149 -11.615 -20.145 1.00 0.00 H new ATOM 173 N GLU A 150 16.670 -8.513 -20.109 1.00 0.00 N ATOM 174 CA GLU A 150 17.752 -7.567 -20.333 1.00 0.00 C ATOM 175 C GLU A 150 18.658 -7.461 -19.099 1.00 0.00 C ATOM 176 O GLU A 150 19.882 -7.443 -19.233 1.00 0.00 O ATOM 177 CB GLU A 150 17.152 -6.198 -20.703 1.00 0.00 C ATOM 178 CG GLU A 150 16.313 -5.648 -19.540 1.00 0.00 C ATOM 179 CD GLU A 150 15.301 -4.618 -20.021 1.00 0.00 C ATOM 180 OE1 GLU A 150 15.630 -3.905 -20.994 1.00 0.00 O ATOM 181 OE2 GLU A 150 14.214 -4.565 -19.404 1.00 0.00 O ATOM 0 H GLU A 150 15.739 -8.119 -20.248 1.00 0.00 H new ATOM 0 HA GLU A 150 18.374 -7.920 -21.156 1.00 0.00 H new ATOM 0 HB2 GLU A 150 17.951 -5.498 -20.946 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.531 -6.295 -21.594 1.00 0.00 H new ATOM 0 HG2 GLU A 150 15.792 -6.468 -19.046 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.970 -5.195 -18.798 1.00 0.00 H new ATOM 188 N GLU A 151 18.062 -7.384 -17.901 1.00 0.00 N ATOM 189 CA GLU A 151 18.821 -7.234 -16.668 1.00 0.00 C ATOM 190 C GLU A 151 19.754 -8.426 -16.451 1.00 0.00 C ATOM 191 O GLU A 151 20.958 -8.238 -16.302 1.00 0.00 O ATOM 192 CB GLU A 151 17.857 -7.080 -15.486 1.00 0.00 C ATOM 193 CG GLU A 151 17.268 -5.667 -15.464 1.00 0.00 C ATOM 194 CD GLU A 151 18.263 -4.672 -14.876 1.00 0.00 C ATOM 195 OE1 GLU A 151 18.411 -4.686 -13.634 1.00 0.00 O ATOM 196 OE2 GLU A 151 18.856 -3.918 -15.676 1.00 0.00 O ATOM 0 H GLU A 151 17.052 -7.424 -17.768 1.00 0.00 H new ATOM 0 HA GLU A 151 19.439 -6.339 -16.743 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.055 -7.815 -15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.382 -7.278 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.000 -5.364 -16.476 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.350 -5.660 -14.876 1.00 0.00 H new ATOM 203 N ASP A 152 19.207 -9.651 -16.423 1.00 0.00 N ATOM 204 CA ASP A 152 20.017 -10.841 -16.176 1.00 0.00 C ATOM 205 C ASP A 152 21.055 -11.026 -17.293 1.00 0.00 C ATOM 206 O ASP A 152 22.187 -11.437 -17.025 1.00 0.00 O ATOM 207 CB ASP A 152 19.111 -12.077 -16.020 1.00 0.00 C ATOM 208 CG ASP A 152 18.886 -12.806 -17.344 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.805 -13.553 -17.749 1.00 0.00 O ATOM 210 OD2 ASP A 152 17.801 -12.609 -17.918 1.00 0.00 O ATOM 0 H ASP A 152 18.215 -9.837 -16.568 1.00 0.00 H new ATOM 0 HA ASP A 152 20.565 -10.714 -15.243 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.559 -12.764 -15.302 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.149 -11.769 -15.610 1.00 0.00 H new ATOM 215 N ARG A 153 20.674 -10.717 -18.540 1.00 0.00 N ATOM 216 CA ARG A 153 21.576 -10.845 -19.673 1.00 0.00 C ATOM 217 C ARG A 153 22.795 -9.944 -19.471 1.00 0.00 C ATOM 218 O ARG A 153 23.932 -10.380 -19.674 1.00 0.00 O ATOM 219 CB ARG A 153 20.824 -10.483 -20.963 1.00 0.00 C ATOM 220 CG ARG A 153 21.677 -10.829 -22.191 1.00 0.00 C ATOM 221 CD ARG A 153 22.448 -9.590 -22.670 1.00 0.00 C ATOM 222 NE ARG A 153 23.398 -9.940 -23.733 1.00 0.00 N ATOM 223 CZ ARG A 153 24.536 -10.628 -23.511 1.00 0.00 C ATOM 224 NH1 ARG A 153 24.879 -10.998 -22.268 1.00 0.00 N ATOM 225 NH2 ARG A 153 25.330 -10.947 -24.542 1.00 0.00 N ATOM 0 H ARG A 153 19.743 -10.377 -18.781 1.00 0.00 H new ATOM 0 HA ARG A 153 21.928 -11.873 -19.754 1.00 0.00 H new ATOM 0 HB2 ARG A 153 19.878 -11.023 -21.005 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.584 -9.420 -20.966 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.376 -11.628 -21.943 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.039 -11.201 -22.993 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.747 -8.840 -23.036 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.983 -9.144 -21.832 1.00 0.00 H new ATOM 0 HE ARG A 153 23.187 -9.648 -24.687 1.00 0.00 H new ATOM 0 HH11 ARG A 153 24.277 -10.759 -21.480 1.00 0.00 H new ATOM 0 HH12 ARG A 153 25.742 -11.518 -22.111 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.072 -10.669 -25.489 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.192 -11.467 -24.380 1.00 0.00 H new ATOM 239 N ILE A 154 22.557 -8.688 -19.074 1.00 0.00 N ATOM 240 CA ILE A 154 23.631 -7.733 -18.839 1.00 0.00 C ATOM 241 C ILE A 154 24.423 -8.146 -17.595 1.00 0.00 C ATOM 242 O ILE A 154 25.644 -8.005 -17.562 1.00 0.00 O ATOM 243 CB ILE A 154 23.037 -6.323 -18.678 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.493 -5.844 -20.036 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.120 -5.352 -18.187 1.00 0.00 C ATOM 246 CD1 ILE A 154 21.549 -4.655 -19.839 1.00 0.00 C ATOM 0 H ILE A 154 21.622 -8.314 -18.910 1.00 0.00 H new ATOM 0 HA ILE A 154 24.313 -7.723 -19.689 1.00 0.00 H new ATOM 0 HB ILE A 154 22.229 -6.353 -17.947 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.320 -5.557 -20.686 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.965 -6.658 -20.532 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.692 -4.356 -18.075 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.504 -5.692 -17.225 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.934 -5.318 -18.911 1.00 0.00 H new ATOM 0 HD11 ILE A 154 21.171 -4.326 -20.807 1.00 0.00 H new ATOM 0 HD12 ILE A 154 20.714 -4.955 -19.206 1.00 0.00 H new ATOM 0 HD13 ILE A 154 22.089 -3.837 -19.363 1.00 0.00 H new ATOM 258 N LEU A 155 23.725 -8.660 -16.575 1.00 0.00 N ATOM 259 CA LEU A 155 24.362 -9.087 -15.339 1.00 0.00 C ATOM 260 C LEU A 155 25.421 -10.145 -15.637 1.00 0.00 C ATOM 261 O LEU A 155 26.527 -10.073 -15.117 1.00 0.00 O ATOM 262 CB LEU A 155 23.291 -9.637 -14.383 1.00 0.00 C ATOM 263 CG LEU A 155 23.862 -9.820 -12.968 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.319 -8.466 -12.409 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.777 -10.402 -12.064 1.00 0.00 C ATOM 0 H LEU A 155 22.713 -8.788 -16.589 1.00 0.00 H new ATOM 0 HA LEU A 155 24.856 -8.239 -14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.441 -8.955 -14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.920 -10.592 -14.756 1.00 0.00 H new ATOM 0 HG LEU A 155 24.716 -10.496 -13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.722 -8.604 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.090 -8.047 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.470 -7.784 -12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 155 23.174 -10.535 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.927 -9.721 -12.031 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.455 -11.366 -12.457 1.00 0.00 H new ATOM 277 N TYR A 156 25.079 -11.127 -16.481 1.00 0.00 N ATOM 278 CA TYR A 156 26.005 -12.193 -16.847 1.00 0.00 C ATOM 279 C TYR A 156 27.202 -11.617 -17.606 1.00 0.00 C ATOM 280 O TYR A 156 28.343 -12.001 -17.341 1.00 0.00 O ATOM 281 CB TYR A 156 25.247 -13.239 -17.682 1.00 0.00 C ATOM 282 CG TYR A 156 26.137 -14.230 -18.411 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.704 -13.888 -19.653 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.378 -15.503 -17.859 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.513 -14.809 -20.335 1.00 0.00 C ATOM 286 CE2 TYR A 156 27.190 -16.423 -18.542 1.00 0.00 C ATOM 287 CZ TYR A 156 27.758 -16.075 -19.779 1.00 0.00 C ATOM 288 OH TYR A 156 28.549 -16.969 -20.441 1.00 0.00 O ATOM 0 H TYR A 156 24.162 -11.200 -16.922 1.00 0.00 H new ATOM 0 HA TYR A 156 26.397 -12.678 -15.953 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.573 -13.790 -17.026 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.627 -12.721 -18.413 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.516 -12.915 -20.082 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.938 -15.772 -16.910 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.947 -14.544 -21.288 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.378 -17.398 -18.116 1.00 0.00 H new ATOM 0 HH TYR A 156 28.617 -17.795 -19.919 1.00 0.00 H new ATOM 298 N GLN A 157 26.947 -10.694 -18.543 1.00 0.00 N ATOM 299 CA GLN A 157 28.010 -10.064 -19.315 1.00 0.00 C ATOM 300 C GLN A 157 28.983 -9.357 -18.368 1.00 0.00 C ATOM 301 O GLN A 157 30.197 -9.483 -18.514 1.00 0.00 O ATOM 302 CB GLN A 157 27.385 -9.067 -20.307 1.00 0.00 C ATOM 303 CG GLN A 157 28.475 -8.290 -21.062 1.00 0.00 C ATOM 304 CD GLN A 157 29.376 -9.221 -21.870 1.00 0.00 C ATOM 305 OE1 GLN A 157 30.590 -9.228 -21.686 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.779 -10.001 -22.770 1.00 0.00 N ATOM 0 H GLN A 157 26.009 -10.371 -18.780 1.00 0.00 H new ATOM 0 HA GLN A 157 28.566 -10.816 -19.875 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.755 -9.602 -21.018 1.00 0.00 H new ATOM 0 HB3 GLN A 157 26.741 -8.370 -19.771 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.009 -7.565 -21.729 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.079 -7.726 -20.351 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.767 -9.961 -22.888 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.334 -10.638 -23.341 1.00 0.00 H new ATOM 315 N ALA A 158 28.441 -8.613 -17.402 1.00 0.00 N ATOM 316 CA ALA A 158 29.247 -7.865 -16.453 1.00 0.00 C ATOM 317 C ALA A 158 29.985 -8.804 -15.500 1.00 0.00 C ATOM 318 O ALA A 158 31.151 -8.582 -15.197 1.00 0.00 O ATOM 319 CB ALA A 158 28.337 -6.927 -15.662 1.00 0.00 C ATOM 0 H ALA A 158 27.435 -8.516 -17.261 1.00 0.00 H new ATOM 0 HA ALA A 158 29.994 -7.288 -16.999 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.933 -6.360 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.841 -6.239 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.588 -7.512 -15.128 1.00 0.00 H new ATOM 325 N HIS A 159 29.299 -9.841 -15.016 1.00 0.00 N ATOM 326 CA HIS A 159 29.863 -10.757 -14.038 1.00 0.00 C ATOM 327 C HIS A 159 31.150 -11.411 -14.536 1.00 0.00 C ATOM 328 O HIS A 159 32.123 -11.489 -13.798 1.00 0.00 O ATOM 329 CB HIS A 159 28.833 -11.828 -13.683 1.00 0.00 C ATOM 330 CG HIS A 159 29.288 -12.666 -12.524 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.549 -14.026 -12.626 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.555 -12.352 -11.220 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.940 -14.439 -11.402 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.966 -13.461 -10.496 1.00 0.00 N ATOM 0 H HIS A 159 28.343 -10.064 -15.292 1.00 0.00 H new ATOM 0 HA HIS A 159 30.117 -10.178 -13.150 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.882 -11.354 -13.439 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.658 -12.467 -14.549 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.458 -11.360 -10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.206 -15.462 -11.178 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.225 -13.515 -9.511 1.00 0.00 H new ATOM 342 N LYS A 160 31.159 -11.898 -15.775 1.00 0.00 N ATOM 343 CA LYS A 160 32.327 -12.594 -16.299 1.00 0.00 C ATOM 344 C LYS A 160 33.393 -11.607 -16.792 1.00 0.00 C ATOM 345 O LYS A 160 34.554 -11.981 -16.928 1.00 0.00 O ATOM 346 CB LYS A 160 31.895 -13.548 -17.421 1.00 0.00 C ATOM 347 CG LYS A 160 31.481 -12.758 -18.670 1.00 0.00 C ATOM 348 CD LYS A 160 30.714 -13.671 -19.634 1.00 0.00 C ATOM 349 CE LYS A 160 31.606 -14.834 -20.081 1.00 0.00 C ATOM 350 NZ LYS A 160 30.974 -15.603 -21.170 1.00 0.00 N ATOM 0 H LYS A 160 30.378 -11.824 -16.427 1.00 0.00 H new ATOM 0 HA LYS A 160 32.778 -13.174 -15.494 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.714 -14.224 -17.666 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.063 -14.165 -17.081 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.858 -11.910 -18.385 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.364 -12.353 -19.164 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.818 -14.056 -19.147 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.385 -13.101 -20.503 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.569 -14.449 -20.416 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.802 -15.492 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.628 -16.342 -21.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.100 -16.045 -20.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.748 -14.965 -21.960 1.00 0.00 H new ATOM 364 N ARG A 161 33.001 -10.353 -17.063 1.00 0.00 N ATOM 365 CA ARG A 161 33.930 -9.348 -17.562 1.00 0.00 C ATOM 366 C ARG A 161 34.619 -8.635 -16.394 1.00 0.00 C ATOM 367 O ARG A 161 35.843 -8.667 -16.284 1.00 0.00 O ATOM 368 CB ARG A 161 33.162 -8.359 -18.444 1.00 0.00 C ATOM 369 CG ARG A 161 34.140 -7.418 -19.154 1.00 0.00 C ATOM 370 CD ARG A 161 33.369 -6.531 -20.135 1.00 0.00 C ATOM 371 NE ARG A 161 32.766 -7.338 -21.208 1.00 0.00 N ATOM 372 CZ ARG A 161 33.434 -7.731 -22.308 1.00 0.00 C ATOM 373 NH1 ARG A 161 34.709 -7.361 -22.501 1.00 0.00 N ATOM 374 NH2 ARG A 161 32.819 -8.501 -23.213 1.00 0.00 N ATOM 0 H ARG A 161 32.045 -10.018 -16.942 1.00 0.00 H new ATOM 0 HA ARG A 161 34.708 -9.823 -18.159 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.568 -8.901 -19.180 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.466 -7.781 -17.835 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.664 -6.802 -18.424 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.897 -7.995 -19.686 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.590 -5.985 -19.603 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.041 -5.789 -20.566 1.00 0.00 H new ATOM 0 HE ARG A 161 31.789 -7.614 -21.113 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.181 -6.777 -21.811 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.207 -7.664 -23.338 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.851 -8.786 -23.066 1.00 0.00 H new ATOM 0 HH22 ARG A 161 33.319 -8.803 -24.049 1.00 0.00 H new ATOM 388 N LEU A 162 33.830 -7.994 -15.523 1.00 0.00 N ATOM 389 CA LEU A 162 34.360 -7.277 -14.368 1.00 0.00 C ATOM 390 C LEU A 162 34.715 -8.269 -13.254 1.00 0.00 C ATOM 391 O LEU A 162 35.319 -7.882 -12.254 1.00 0.00 O ATOM 392 CB LEU A 162 33.312 -6.271 -13.847 1.00 0.00 C ATOM 393 CG LEU A 162 33.201 -5.018 -14.745 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.561 -4.317 -14.864 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.686 -5.392 -16.138 1.00 0.00 C ATOM 0 H LEU A 162 32.814 -7.960 -15.602 1.00 0.00 H new ATOM 0 HA LEU A 162 35.258 -6.738 -14.670 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.340 -6.760 -13.789 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.576 -5.967 -12.834 1.00 0.00 H new ATOM 0 HG LEU A 162 32.490 -4.334 -14.281 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.462 -3.437 -15.500 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.901 -4.013 -13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.286 -5.002 -15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.616 -4.495 -16.753 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.374 -6.098 -16.603 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.701 -5.850 -16.051 1.00 0.00 H new ATOM 407 N GLY A 163 34.332 -9.540 -13.418 1.00 0.00 N ATOM 408 CA GLY A 163 34.574 -10.555 -12.410 1.00 0.00 C ATOM 409 C GLY A 163 33.465 -10.490 -11.367 1.00 0.00 C ATOM 410 O GLY A 163 32.454 -9.829 -11.577 1.00 0.00 O ATOM 0 H GLY A 163 33.850 -9.883 -14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.602 -11.543 -12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.544 -10.395 -11.939 1.00 0.00 H new ATOM 414 N ASN A 164 33.650 -11.167 -10.235 1.00 0.00 N ATOM 415 CA ASN A 164 32.650 -11.175 -9.173 1.00 0.00 C ATOM 416 C ASN A 164 32.740 -9.890 -8.335 1.00 0.00 C ATOM 417 O ASN A 164 32.385 -9.888 -7.154 1.00 0.00 O ATOM 418 CB ASN A 164 32.851 -12.425 -8.317 1.00 0.00 C ATOM 419 CG ASN A 164 34.233 -12.437 -7.667 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.160 -13.048 -8.191 1.00 0.00 O ATOM 421 ND2 ASN A 164 34.369 -11.761 -6.527 1.00 0.00 N ATOM 0 H ASN A 164 34.484 -11.717 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 164 31.649 -11.202 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.083 -12.466 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.730 -13.315 -8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 164 35.272 -11.737 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.570 -11.268 -6.128 1.00 0.00 H new ATOM 428 N ARG A 165 33.205 -8.793 -8.954 1.00 0.00 N ATOM 429 CA ARG A 165 33.308 -7.507 -8.291 1.00 0.00 C ATOM 430 C ARG A 165 31.951 -6.814 -8.364 1.00 0.00 C ATOM 431 O ARG A 165 31.784 -5.829 -9.080 1.00 0.00 O ATOM 432 CB ARG A 165 34.397 -6.669 -8.972 1.00 0.00 C ATOM 433 CG ARG A 165 35.746 -7.393 -8.876 1.00 0.00 C ATOM 434 CD ARG A 165 36.851 -6.488 -9.424 1.00 0.00 C ATOM 435 NE ARG A 165 38.162 -7.148 -9.348 1.00 0.00 N ATOM 436 CZ ARG A 165 38.605 -8.034 -10.261 1.00 0.00 C ATOM 437 NH1 ARG A 165 37.830 -8.390 -11.296 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.828 -8.565 -10.134 1.00 0.00 N ATOM 0 H ARG A 165 33.516 -8.785 -9.925 1.00 0.00 H new ATOM 0 HA ARG A 165 33.584 -7.633 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.138 -6.500 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.465 -5.690 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.957 -7.655 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.711 -8.325 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.631 -6.227 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.876 -5.556 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 165 38.770 -6.923 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.897 -7.989 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.173 -9.062 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.421 -8.298 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.167 -9.236 -10.823 1.00 0.00 H new ATOM 452 N TRP A 166 30.980 -7.351 -7.619 1.00 0.00 N ATOM 453 CA TRP A 166 29.620 -6.831 -7.602 1.00 0.00 C ATOM 454 C TRP A 166 29.607 -5.329 -7.308 1.00 0.00 C ATOM 455 O TRP A 166 28.795 -4.598 -7.873 1.00 0.00 O ATOM 456 CB TRP A 166 28.815 -7.603 -6.562 1.00 0.00 C ATOM 457 CG TRP A 166 28.625 -9.054 -6.886 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.038 -10.089 -6.136 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.979 -9.658 -8.049 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.689 -11.287 -6.708 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.022 -11.081 -7.903 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.357 -9.158 -9.216 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.469 -11.949 -8.846 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.806 -10.032 -10.175 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.856 -11.421 -9.988 1.00 0.00 C ATOM 0 H TRP A 166 31.120 -8.159 -7.012 1.00 0.00 H new ATOM 0 HA TRP A 166 29.167 -6.965 -8.584 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.315 -7.520 -5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.836 -7.135 -6.455 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.575 -9.991 -5.204 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.893 -12.203 -6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.303 -8.091 -9.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.514 -13.018 -8.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.341 -9.628 -11.062 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.422 -12.082 -10.724 1.00 0.00 H new ATOM 476 N ALA A 167 30.506 -4.870 -6.430 1.00 0.00 N ATOM 477 CA ALA A 167 30.596 -3.459 -6.084 1.00 0.00 C ATOM 478 C ALA A 167 30.829 -2.622 -7.345 1.00 0.00 C ATOM 479 O ALA A 167 30.230 -1.560 -7.506 1.00 0.00 O ATOM 480 CB ALA A 167 31.738 -3.258 -5.087 1.00 0.00 C ATOM 0 H ALA A 167 31.181 -5.463 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 167 29.661 -3.134 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.810 -2.203 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.544 -3.843 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.676 -3.585 -5.537 1.00 0.00 H new ATOM 486 N GLU A 168 31.701 -3.105 -8.239 1.00 0.00 N ATOM 487 CA GLU A 168 32.017 -2.404 -9.472 1.00 0.00 C ATOM 488 C GLU A 168 30.877 -2.561 -10.478 1.00 0.00 C ATOM 489 O GLU A 168 30.535 -1.618 -11.172 1.00 0.00 O ATOM 490 CB GLU A 168 33.321 -2.953 -10.056 1.00 0.00 C ATOM 491 CG GLU A 168 34.483 -2.679 -9.094 1.00 0.00 C ATOM 492 CD GLU A 168 35.806 -3.168 -9.674 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.766 -3.761 -10.774 1.00 0.00 O ATOM 494 OE2 GLU A 168 36.835 -2.938 -9.003 1.00 0.00 O ATOM 0 H GLU A 168 32.200 -3.987 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 168 32.142 -1.343 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.228 -4.025 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.520 -2.489 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.545 -1.610 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.295 -3.175 -8.142 1.00 0.00 H new ATOM 501 N ILE A 169 30.294 -3.756 -10.558 1.00 0.00 N ATOM 502 CA ILE A 169 29.211 -4.021 -11.499 1.00 0.00 C ATOM 503 C ILE A 169 28.013 -3.115 -11.209 1.00 0.00 C ATOM 504 O ILE A 169 27.361 -2.640 -12.136 1.00 0.00 O ATOM 505 CB ILE A 169 28.819 -5.499 -11.407 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.952 -6.356 -11.992 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.521 -5.744 -12.192 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.832 -7.804 -11.514 1.00 0.00 C ATOM 0 H ILE A 169 30.555 -4.556 -9.981 1.00 0.00 H new ATOM 0 HA ILE A 169 29.547 -3.805 -12.513 1.00 0.00 H new ATOM 0 HB ILE A 169 28.656 -5.770 -10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.916 -6.322 -13.081 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.917 -5.947 -11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.247 -6.797 -12.123 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.722 -5.133 -11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.672 -5.476 -13.238 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.643 -8.396 -11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.892 -7.834 -10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.875 -8.215 -11.836 1.00 0.00 H new ATOM 520 N ALA A 170 27.714 -2.873 -9.928 1.00 0.00 N ATOM 521 CA ALA A 170 26.580 -2.039 -9.548 1.00 0.00 C ATOM 522 C ALA A 170 26.749 -0.601 -10.057 1.00 0.00 C ATOM 523 O ALA A 170 25.795 0.169 -10.028 1.00 0.00 O ATOM 524 CB ALA A 170 26.416 -2.052 -8.033 1.00 0.00 C ATOM 0 H ALA A 170 28.245 -3.245 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 170 25.682 -2.449 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.567 -1.427 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.242 -3.073 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.321 -1.664 -7.566 1.00 0.00 H new ATOM 530 N LYS A 171 27.951 -0.233 -10.529 1.00 0.00 N ATOM 531 CA LYS A 171 28.188 1.105 -11.054 1.00 0.00 C ATOM 532 C LYS A 171 27.232 1.382 -12.215 1.00 0.00 C ATOM 533 O LYS A 171 26.666 2.470 -12.301 1.00 0.00 O ATOM 534 CB LYS A 171 29.641 1.231 -11.516 1.00 0.00 C ATOM 535 CG LYS A 171 30.571 1.276 -10.296 1.00 0.00 C ATOM 536 CD LYS A 171 32.044 1.209 -10.741 1.00 0.00 C ATOM 537 CE LYS A 171 32.409 2.408 -11.626 1.00 0.00 C ATOM 538 NZ LYS A 171 32.110 3.688 -10.956 1.00 0.00 N ATOM 0 H LYS A 171 28.766 -0.846 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 171 28.007 1.839 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.904 0.388 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.765 2.134 -12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 171 30.396 2.192 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.348 0.443 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 171 32.691 1.190 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 171 32.220 0.283 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 171 33.469 2.367 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.857 2.350 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.563 4.466 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.081 3.838 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.475 3.664 -9.982 1.00 0.00 H new ATOM 552 N LEU A 172 27.050 0.392 -13.105 1.00 0.00 N ATOM 553 CA LEU A 172 26.152 0.537 -14.246 1.00 0.00 C ATOM 554 C LEU A 172 24.736 0.074 -13.876 1.00 0.00 C ATOM 555 O LEU A 172 23.814 0.216 -14.677 1.00 0.00 O ATOM 556 CB LEU A 172 26.700 -0.248 -15.453 1.00 0.00 C ATOM 557 CG LEU A 172 26.815 -1.747 -15.131 1.00 0.00 C ATOM 558 CD1 LEU A 172 26.192 -2.565 -16.267 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.290 -2.135 -14.981 1.00 0.00 C ATOM 0 H LEU A 172 27.516 -0.514 -13.050 1.00 0.00 H new ATOM 0 HA LEU A 172 26.096 1.590 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.043 -0.106 -16.311 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.678 0.144 -15.732 1.00 0.00 H new ATOM 0 HG LEU A 172 26.289 -1.952 -14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 172 26.274 -3.627 -16.038 1.00 0.00 H new ATOM 0 HD12 LEU A 172 25.141 -2.297 -16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 172 26.717 -2.353 -17.198 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.365 -3.198 -14.753 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.818 -1.925 -15.911 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.738 -1.558 -14.172 1.00 0.00 H new ATOM 571 N LEU A 173 24.566 -0.474 -12.656 1.00 0.00 N ATOM 572 CA LEU A 173 23.266 -0.929 -12.173 1.00 0.00 C ATOM 573 C LEU A 173 23.026 -0.397 -10.754 1.00 0.00 C ATOM 574 O LEU A 173 22.941 -1.180 -9.810 1.00 0.00 O ATOM 575 CB LEU A 173 23.225 -2.469 -12.189 1.00 0.00 C ATOM 576 CG LEU A 173 23.249 -3.004 -13.633 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.641 -4.484 -13.616 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.863 -2.858 -14.271 1.00 0.00 C ATOM 0 H LEU A 173 25.326 -0.609 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 173 22.478 -0.549 -12.823 1.00 0.00 H new ATOM 0 HB2 LEU A 173 24.077 -2.865 -11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.325 -2.818 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 173 23.973 -2.432 -14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.659 -4.867 -14.636 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.629 -4.594 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.914 -5.046 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.890 -3.239 -15.292 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.134 -3.425 -13.692 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.577 -1.806 -14.284 1.00 0.00 H new ATOM 590 N PRO A 174 22.910 0.942 -10.594 1.00 0.00 N ATOM 591 CA PRO A 174 22.690 1.560 -9.297 1.00 0.00 C ATOM 592 C PRO A 174 21.352 1.122 -8.699 1.00 0.00 C ATOM 593 O PRO A 174 21.234 0.976 -7.485 1.00 0.00 O ATOM 594 CB PRO A 174 22.712 3.071 -9.547 1.00 0.00 C ATOM 595 CG PRO A 174 22.727 3.267 -11.067 1.00 0.00 C ATOM 596 CD PRO A 174 22.995 1.894 -11.683 1.00 0.00 C ATOM 0 HA PRO A 174 23.455 1.263 -8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.838 3.549 -9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.591 3.526 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.775 3.668 -11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.499 3.979 -11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.264 1.665 -12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.978 1.863 -12.152 1.00 0.00 H new ATOM 604 N GLY A 175 20.344 0.916 -9.558 1.00 0.00 N ATOM 605 CA GLY A 175 19.016 0.515 -9.116 1.00 0.00 C ATOM 606 C GLY A 175 19.005 -0.930 -8.603 1.00 0.00 C ATOM 607 O GLY A 175 17.971 -1.401 -8.126 1.00 0.00 O ATOM 0 H GLY A 175 20.432 1.023 -10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.677 1.185 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.312 0.614 -9.942 1.00 0.00 H new ATOM 611 N ARG A 176 20.146 -1.635 -8.699 1.00 0.00 N ATOM 612 CA ARG A 176 20.256 -3.013 -8.239 1.00 0.00 C ATOM 613 C ARG A 176 21.290 -3.084 -7.115 1.00 0.00 C ATOM 614 O ARG A 176 22.463 -2.777 -7.328 1.00 0.00 O ATOM 615 CB ARG A 176 20.676 -3.916 -9.408 1.00 0.00 C ATOM 616 CG ARG A 176 19.669 -3.836 -10.571 1.00 0.00 C ATOM 617 CD ARG A 176 18.394 -4.621 -10.239 1.00 0.00 C ATOM 618 NE ARG A 176 17.463 -3.817 -9.442 1.00 0.00 N ATOM 619 CZ ARG A 176 16.252 -4.253 -9.068 1.00 0.00 C ATOM 620 NH1 ARG A 176 15.823 -5.463 -9.454 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.475 -3.474 -8.308 1.00 0.00 N ATOM 0 H ARG A 176 21.007 -1.260 -9.096 1.00 0.00 H new ATOM 0 HA ARG A 176 19.292 -3.356 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.665 -3.621 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.755 -4.947 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.419 -2.794 -10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.122 -4.235 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.907 -4.935 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.655 -5.527 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 176 17.751 -2.880 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.419 -6.054 -10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.901 -5.792 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.805 -2.554 -8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.552 -3.800 -8.020 1.00 0.00 H new ATOM 635 N THR A 177 20.856 -3.492 -5.918 1.00 0.00 N ATOM 636 CA THR A 177 21.744 -3.608 -4.771 1.00 0.00 C ATOM 637 C THR A 177 22.535 -4.910 -4.874 1.00 0.00 C ATOM 638 O THR A 177 22.080 -5.858 -5.510 1.00 0.00 O ATOM 639 CB THR A 177 20.917 -3.582 -3.483 1.00 0.00 C ATOM 640 OG1 THR A 177 19.924 -4.586 -3.543 1.00 0.00 O ATOM 641 CG2 THR A 177 20.247 -2.216 -3.320 1.00 0.00 C ATOM 0 H THR A 177 19.888 -3.747 -5.724 1.00 0.00 H new ATOM 0 HA THR A 177 22.443 -2.772 -4.755 1.00 0.00 H new ATOM 0 HB THR A 177 21.574 -3.763 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.924 -5.097 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.661 -2.206 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.011 -1.440 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.592 -2.028 -4.171 1.00 0.00 H new ATOM 649 N ASP A 178 23.722 -4.957 -4.251 1.00 0.00 N ATOM 650 CA ASP A 178 24.569 -6.142 -4.298 1.00 0.00 C ATOM 651 C ASP A 178 23.790 -7.359 -3.793 1.00 0.00 C ATOM 652 O ASP A 178 23.788 -8.401 -4.437 1.00 0.00 O ATOM 653 CB ASP A 178 25.847 -5.908 -3.468 1.00 0.00 C ATOM 654 CG ASP A 178 25.641 -6.262 -1.996 1.00 0.00 C ATOM 655 OD1 ASP A 178 24.936 -5.482 -1.316 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.187 -7.312 -1.582 1.00 0.00 O ATOM 0 H ASP A 178 24.111 -4.184 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 178 24.868 -6.336 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.660 -6.509 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.149 -4.864 -3.552 1.00 0.00 H new ATOM 661 N ASN A 179 23.129 -7.216 -2.641 1.00 0.00 N ATOM 662 CA ASN A 179 22.361 -8.297 -2.047 1.00 0.00 C ATOM 663 C ASN A 179 21.339 -8.831 -3.047 1.00 0.00 C ATOM 664 O ASN A 179 21.267 -10.034 -3.260 1.00 0.00 O ATOM 665 CB ASN A 179 21.679 -7.814 -0.754 1.00 0.00 C ATOM 666 CG ASN A 179 21.093 -6.412 -0.908 1.00 0.00 C ATOM 667 OD1 ASN A 179 19.949 -6.255 -1.327 1.00 0.00 O ATOM 668 ND2 ASN A 179 21.880 -5.391 -0.561 1.00 0.00 N ATOM 0 H ASN A 179 23.115 -6.350 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 179 23.035 -9.114 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 179 20.887 -8.510 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.403 -7.817 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.537 -4.433 -0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.824 -5.568 -0.218 1.00 0.00 H new ATOM 675 N ALA A 180 20.555 -7.940 -3.665 1.00 0.00 N ATOM 676 CA ALA A 180 19.548 -8.348 -4.636 1.00 0.00 C ATOM 677 C ALA A 180 20.206 -9.029 -5.837 1.00 0.00 C ATOM 678 O ALA A 180 19.709 -10.039 -6.322 1.00 0.00 O ATOM 679 CB ALA A 180 18.756 -7.125 -5.085 1.00 0.00 C ATOM 0 H ALA A 180 20.603 -6.934 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 180 18.871 -9.064 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.002 -7.427 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.268 -6.671 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.431 -6.402 -5.542 1.00 0.00 H new ATOM 685 N ILE A 181 21.323 -8.467 -6.313 1.00 0.00 N ATOM 686 CA ILE A 181 22.042 -9.007 -7.460 1.00 0.00 C ATOM 687 C ILE A 181 22.507 -10.421 -7.179 1.00 0.00 C ATOM 688 O ILE A 181 22.380 -11.288 -8.023 1.00 0.00 O ATOM 689 CB ILE A 181 23.237 -8.104 -7.775 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.739 -6.892 -8.547 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.261 -8.865 -8.618 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.725 -5.730 -8.393 1.00 0.00 C ATOM 0 H ILE A 181 21.748 -7.630 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 181 21.374 -9.037 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 181 23.714 -7.788 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.624 -7.144 -9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.756 -6.596 -8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.108 -8.214 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.608 -9.739 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.798 -9.185 -9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.360 -4.867 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.818 -5.469 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.700 -6.026 -8.781 1.00 0.00 H new ATOM 704 N LYS A 182 23.054 -10.645 -5.993 1.00 0.00 N ATOM 705 CA LYS A 182 23.552 -11.948 -5.609 1.00 0.00 C ATOM 706 C LYS A 182 22.405 -12.896 -5.366 1.00 0.00 C ATOM 707 O LYS A 182 22.470 -14.054 -5.767 1.00 0.00 O ATOM 708 CB LYS A 182 24.377 -11.797 -4.356 1.00 0.00 C ATOM 709 CG LYS A 182 25.789 -11.375 -4.738 1.00 0.00 C ATOM 710 CD LYS A 182 26.324 -10.375 -3.708 1.00 0.00 C ATOM 711 CE LYS A 182 26.108 -10.910 -2.281 1.00 0.00 C ATOM 712 NZ LYS A 182 26.677 -9.982 -1.284 1.00 0.00 N ATOM 0 H LYS A 182 23.163 -9.928 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 182 24.167 -12.358 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 182 23.928 -11.054 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.401 -12.738 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.440 -12.248 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.789 -10.925 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.386 -10.198 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.818 -9.417 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.042 -11.043 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.574 -11.890 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.175 -10.093 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.686 -10.195 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.572 -9.004 -1.621 1.00 0.00 H new ATOM 726 N ASN A 183 21.349 -12.416 -4.708 1.00 0.00 N ATOM 727 CA ASN A 183 20.201 -13.246 -4.448 1.00 0.00 C ATOM 728 C ASN A 183 19.651 -13.719 -5.792 1.00 0.00 C ATOM 729 O ASN A 183 19.262 -14.876 -5.942 1.00 0.00 O ATOM 730 CB ASN A 183 19.139 -12.463 -3.665 1.00 0.00 C ATOM 731 CG ASN A 183 19.389 -12.541 -2.160 1.00 0.00 C ATOM 732 OD1 ASN A 183 19.676 -11.534 -1.521 1.00 0.00 O ATOM 733 ND2 ASN A 183 19.276 -13.743 -1.594 1.00 0.00 N ATOM 0 H ASN A 183 21.277 -11.463 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 183 20.483 -14.105 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.145 -11.420 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.150 -12.860 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.430 -13.851 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.035 -14.554 -2.163 1.00 0.00 H new ATOM 740 N HIS A 184 19.643 -12.803 -6.773 1.00 0.00 N ATOM 741 CA HIS A 184 19.201 -13.099 -8.119 1.00 0.00 C ATOM 742 C HIS A 184 20.180 -14.069 -8.781 1.00 0.00 C ATOM 743 O HIS A 184 19.767 -15.062 -9.370 1.00 0.00 O ATOM 744 CB HIS A 184 19.129 -11.795 -8.929 1.00 0.00 C ATOM 745 CG HIS A 184 18.667 -12.036 -10.340 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.406 -12.528 -10.644 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.287 -11.881 -11.551 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.349 -12.641 -11.987 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.467 -12.259 -12.601 1.00 0.00 N ATOM 0 H HIS A 184 19.946 -11.838 -6.641 1.00 0.00 H new ATOM 0 HA HIS A 184 18.213 -13.559 -8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.448 -11.100 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.111 -11.322 -8.944 1.00 0.00 H new ATOM 0 HD1 HIS A 184 16.666 -12.759 -9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.294 -11.509 -11.673 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.480 -13.006 -12.514 1.00 0.00 H new ATOM 757 N TRP A 185 21.484 -13.761 -8.686 1.00 0.00 N ATOM 758 CA TRP A 185 22.528 -14.558 -9.314 1.00 0.00 C ATOM 759 C TRP A 185 22.539 -15.982 -8.761 1.00 0.00 C ATOM 760 O TRP A 185 22.928 -16.912 -9.463 1.00 0.00 O ATOM 761 CB TRP A 185 23.894 -13.891 -9.129 1.00 0.00 C ATOM 762 CG TRP A 185 24.961 -14.480 -9.990 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.967 -15.270 -9.580 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.131 -14.354 -11.430 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.752 -15.657 -10.642 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.275 -15.116 -11.823 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.434 -13.673 -12.453 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.689 -15.202 -13.155 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.858 -13.755 -13.793 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.978 -14.523 -14.138 1.00 0.00 C ATOM 0 H TRP A 185 21.834 -12.953 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 185 22.315 -14.617 -10.381 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.804 -12.828 -9.351 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.193 -13.975 -8.084 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.137 -15.562 -8.554 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.572 -16.259 -10.569 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.565 -13.082 -12.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.555 -15.791 -13.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.316 -13.222 -14.560 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.290 -14.588 -15.170 1.00 0.00 H new ATOM 781 N ASN A 186 22.119 -16.149 -7.505 1.00 0.00 N ATOM 782 CA ASN A 186 22.099 -17.450 -6.861 1.00 0.00 C ATOM 783 C ASN A 186 20.818 -18.204 -7.215 1.00 0.00 C ATOM 784 O ASN A 186 20.877 -19.347 -7.661 1.00 0.00 O ATOM 785 CB ASN A 186 22.205 -17.256 -5.346 1.00 0.00 C ATOM 786 CG ASN A 186 22.050 -18.584 -4.613 1.00 0.00 C ATOM 787 OD1 ASN A 186 20.997 -18.865 -4.051 1.00 0.00 O ATOM 788 ND2 ASN A 186 23.103 -19.401 -4.620 1.00 0.00 N ATOM 0 H ASN A 186 21.786 -15.387 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 186 22.944 -18.042 -7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.169 -16.811 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.437 -16.559 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 186 23.053 -20.302 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 186 23.959 -19.125 -5.101 1.00 0.00 H new ATOM 795 N SER A 187 19.661 -17.568 -6.999 1.00 0.00 N ATOM 796 CA SER A 187 18.373 -18.202 -7.233 1.00 0.00 C ATOM 797 C SER A 187 18.015 -18.198 -8.723 1.00 0.00 C ATOM 798 O SER A 187 18.212 -19.200 -9.413 1.00 0.00 O ATOM 799 CB SER A 187 17.304 -17.481 -6.403 1.00 0.00 C ATOM 800 OG SER A 187 16.033 -18.029 -6.682 1.00 0.00 O ATOM 0 H SER A 187 19.598 -16.608 -6.660 1.00 0.00 H new ATOM 0 HA SER A 187 18.425 -19.246 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.528 -17.579 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.309 -16.415 -6.633 1.00 0.00 H new ATOM 0 HG SER A 187 15.353 -17.567 -6.148 1.00 0.00 H new ATOM 806 N THR A 188 17.471 -17.079 -9.214 1.00 0.00 N ATOM 807 CA THR A 188 17.012 -16.979 -10.594 1.00 0.00 C ATOM 808 C THR A 188 18.195 -16.737 -11.533 1.00 0.00 C ATOM 809 O THR A 188 18.417 -15.617 -11.988 1.00 0.00 O ATOM 810 CB THR A 188 15.976 -15.850 -10.690 1.00 0.00 C ATOM 811 OG1 THR A 188 14.947 -16.072 -9.746 1.00 0.00 O ATOM 812 CG2 THR A 188 15.363 -15.811 -12.094 1.00 0.00 C ATOM 0 H THR A 188 17.340 -16.228 -8.668 1.00 0.00 H new ATOM 0 HA THR A 188 16.543 -17.914 -10.900 1.00 0.00 H new ATOM 0 HB THR A 188 16.472 -14.901 -10.486 1.00 0.00 H new ATOM 0 HG1 THR A 188 14.287 -15.350 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 188 14.630 -15.006 -12.149 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.149 -15.637 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 188 14.874 -16.762 -12.304 1.00 0.00 H new ATOM 820 N MET A 189 18.945 -17.806 -11.826 1.00 0.00 N ATOM 821 CA MET A 189 20.077 -17.740 -12.739 1.00 0.00 C ATOM 822 C MET A 189 20.609 -19.145 -13.001 1.00 0.00 C ATOM 823 O MET A 189 20.965 -19.473 -14.130 1.00 0.00 O ATOM 824 CB MET A 189 21.179 -16.839 -12.159 1.00 0.00 C ATOM 825 CG MET A 189 21.473 -15.699 -13.135 1.00 0.00 C ATOM 826 SD MET A 189 22.269 -16.233 -14.671 1.00 0.00 S ATOM 827 CE MET A 189 21.892 -14.795 -15.700 1.00 0.00 C ATOM 0 H MET A 189 18.780 -18.734 -11.436 1.00 0.00 H new ATOM 0 HA MET A 189 19.750 -17.308 -13.685 1.00 0.00 H new ATOM 0 HB2 MET A 189 20.864 -16.436 -11.196 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.083 -17.421 -11.981 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.539 -15.193 -13.379 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.113 -14.967 -12.641 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.276 -14.957 -16.707 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.812 -14.651 -15.743 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.360 -13.908 -15.272 1.00 0.00 H new