USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=9 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 184 HIS : no HD1:sc= -1.08 K(o=-0.46,f=-1.8) USER MOD Set 1.2: A 188 THR OG1 : rot -151:sc= 0.628 USER MOD Set 2.1: A 186 ASN : amide:sc= 0.412 K(o=0.75,f=0.093) USER MOD Set 2.2: A 187 SER OG : rot 18:sc= 0.341 USER MOD Set 3.1: A 179 ASN : amide:sc= 0.404 K(o=0.45,f=-1.8) USER MOD Set 3.2: A 183 ASN : amide:sc= 0.0453 K(o=0.45,f=-1.6) USER MOD Set 4.1: A 157 GLN : amide:sc= 0.769 K(o=1.9,f=-11!) USER MOD Set 4.2: A 160 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0) USER MOD Set 5.1: A 159 HIS : no HE2:sc= -2.55! C(o=-1.3!,f=-6.3!) USER MOD Set 5.2: A 164 ASN : amide:sc= 1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 148 THR OG1 : rot -89:sc= 0.636 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.275) USER MOD Single : A 177 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl -170:sc= -0.0192 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.721 -10.965 -12.706 1.00 0.00 N ATOM 121 CA TRP A 147 14.347 -9.850 -13.400 1.00 0.00 C ATOM 122 C TRP A 147 13.946 -9.880 -14.874 1.00 0.00 C ATOM 123 O TRP A 147 13.284 -10.822 -15.322 1.00 0.00 O ATOM 124 CB TRP A 147 15.869 -9.965 -13.273 1.00 0.00 C ATOM 125 CG TRP A 147 16.443 -9.617 -11.931 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.814 -9.690 -10.743 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.782 -9.139 -11.622 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.639 -9.290 -9.722 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.879 -8.932 -10.209 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.931 -8.855 -12.391 1.00 0.00 C ATOM 131 CZ2 TRP A 147 19.043 -8.466 -9.602 1.00 0.00 C ATOM 132 CZ3 TRP A 147 20.106 -8.380 -11.781 1.00 0.00 C ATOM 133 CH2 TRP A 147 20.161 -8.186 -10.392 1.00 0.00 C ATOM 0 HA TRP A 147 14.018 -8.910 -12.958 1.00 0.00 H new ATOM 0 HB2 TRP A 147 16.158 -10.987 -13.516 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.327 -9.318 -14.021 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.794 -10.020 -10.611 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.372 -9.261 -8.738 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.908 -9.004 -13.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.081 -8.323 -8.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.973 -8.163 -12.387 1.00 0.00 H new ATOM 0 HH2 TRP A 147 21.068 -7.820 -9.934 1.00 0.00 H new ATOM 144 N THR A 148 14.363 -8.855 -15.629 1.00 0.00 N ATOM 145 CA THR A 148 14.110 -8.788 -17.060 1.00 0.00 C ATOM 146 C THR A 148 15.394 -9.152 -17.801 1.00 0.00 C ATOM 147 O THR A 148 16.467 -9.208 -17.196 1.00 0.00 O ATOM 148 CB THR A 148 13.642 -7.381 -17.450 1.00 0.00 C ATOM 149 OG1 THR A 148 14.699 -6.466 -17.291 1.00 0.00 O ATOM 150 CG2 THR A 148 12.456 -6.955 -16.579 1.00 0.00 C ATOM 0 H THR A 148 14.881 -8.057 -15.261 1.00 0.00 H new ATOM 0 HA THR A 148 13.322 -9.491 -17.331 1.00 0.00 H new ATOM 0 HB THR A 148 13.327 -7.393 -18.494 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.689 -6.110 -16.378 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.134 -5.954 -16.867 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.632 -7.655 -16.718 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.757 -6.952 -15.531 1.00 0.00 H new ATOM 158 N GLU A 149 15.288 -9.399 -19.113 1.00 0.00 N ATOM 159 CA GLU A 149 16.443 -9.760 -19.921 1.00 0.00 C ATOM 160 C GLU A 149 17.508 -8.666 -19.837 1.00 0.00 C ATOM 161 O GLU A 149 18.694 -8.965 -19.859 1.00 0.00 O ATOM 162 CB GLU A 149 16.017 -9.969 -21.376 1.00 0.00 C ATOM 163 CG GLU A 149 16.936 -10.996 -22.040 1.00 0.00 C ATOM 164 CD GLU A 149 16.667 -11.073 -23.537 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.648 -11.701 -23.899 1.00 0.00 O ATOM 166 OE2 GLU A 149 17.484 -10.502 -24.291 1.00 0.00 O ATOM 0 H GLU A 149 14.410 -9.353 -19.631 1.00 0.00 H new ATOM 0 HA GLU A 149 16.865 -10.689 -19.538 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.983 -10.312 -21.417 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.061 -9.024 -21.917 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.977 -10.725 -21.866 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.782 -11.975 -21.587 1.00 0.00 H new ATOM 173 N GLU A 150 17.081 -7.400 -19.747 1.00 0.00 N ATOM 174 CA GLU A 150 18.004 -6.276 -19.683 1.00 0.00 C ATOM 175 C GLU A 150 18.982 -6.454 -18.521 1.00 0.00 C ATOM 176 O GLU A 150 20.189 -6.567 -18.736 1.00 0.00 O ATOM 177 CB GLU A 150 17.212 -4.969 -19.535 1.00 0.00 C ATOM 178 CG GLU A 150 16.697 -4.507 -20.907 1.00 0.00 C ATOM 179 CD GLU A 150 17.847 -4.090 -21.824 1.00 0.00 C ATOM 180 OE1 GLU A 150 18.854 -3.580 -21.285 1.00 0.00 O ATOM 181 OE2 GLU A 150 17.705 -4.293 -23.048 1.00 0.00 O ATOM 0 H GLU A 150 16.096 -7.135 -19.717 1.00 0.00 H new ATOM 0 HA GLU A 150 18.583 -6.234 -20.605 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.374 -5.117 -18.854 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.846 -4.198 -19.097 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.131 -5.312 -21.375 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.012 -3.669 -20.777 1.00 0.00 H new ATOM 188 N GLU A 151 18.459 -6.474 -17.291 1.00 0.00 N ATOM 189 CA GLU A 151 19.284 -6.628 -16.102 1.00 0.00 C ATOM 190 C GLU A 151 20.023 -7.969 -16.129 1.00 0.00 C ATOM 191 O GLU A 151 21.195 -8.030 -15.766 1.00 0.00 O ATOM 192 CB GLU A 151 18.400 -6.539 -14.854 1.00 0.00 C ATOM 193 CG GLU A 151 17.850 -5.116 -14.687 1.00 0.00 C ATOM 194 CD GLU A 151 16.464 -4.988 -15.301 1.00 0.00 C ATOM 195 OE1 GLU A 151 15.571 -5.748 -14.858 1.00 0.00 O ATOM 196 OE2 GLU A 151 16.320 -4.137 -16.202 1.00 0.00 O ATOM 0 H GLU A 151 17.461 -6.384 -17.099 1.00 0.00 H new ATOM 0 HA GLU A 151 20.026 -5.830 -16.080 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.575 -7.247 -14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.976 -6.819 -13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.807 -4.862 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.527 -4.404 -15.158 1.00 0.00 H new ATOM 203 N ASP A 152 19.331 -9.038 -16.547 1.00 0.00 N ATOM 204 CA ASP A 152 19.903 -10.380 -16.565 1.00 0.00 C ATOM 205 C ASP A 152 21.122 -10.465 -17.491 1.00 0.00 C ATOM 206 O ASP A 152 22.220 -10.761 -17.033 1.00 0.00 O ATOM 207 CB ASP A 152 18.828 -11.379 -17.003 1.00 0.00 C ATOM 208 CG ASP A 152 19.420 -12.772 -17.202 1.00 0.00 C ATOM 209 OD1 ASP A 152 20.292 -13.143 -16.389 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.987 -13.437 -18.167 1.00 0.00 O ATOM 0 H ASP A 152 18.367 -8.992 -16.878 1.00 0.00 H new ATOM 0 HA ASP A 152 20.246 -10.623 -15.559 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.038 -11.420 -16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.369 -11.040 -17.931 1.00 0.00 H new ATOM 215 N ARG A 153 20.926 -10.226 -18.796 1.00 0.00 N ATOM 216 CA ARG A 153 22.008 -10.360 -19.768 1.00 0.00 C ATOM 217 C ARG A 153 23.206 -9.471 -19.392 1.00 0.00 C ATOM 218 O ARG A 153 24.352 -9.855 -19.633 1.00 0.00 O ATOM 219 CB ARG A 153 21.494 -10.087 -21.193 1.00 0.00 C ATOM 220 CG ARG A 153 21.133 -8.606 -21.400 1.00 0.00 C ATOM 221 CD ARG A 153 22.198 -7.894 -22.255 1.00 0.00 C ATOM 222 NE ARG A 153 21.570 -7.006 -23.246 1.00 0.00 N ATOM 223 CZ ARG A 153 20.787 -5.961 -22.917 1.00 0.00 C ATOM 224 NH1 ARG A 153 20.685 -5.567 -21.645 1.00 0.00 N ATOM 225 NH2 ARG A 153 20.102 -5.318 -23.868 1.00 0.00 N ATOM 0 H ARG A 153 20.032 -9.941 -19.196 1.00 0.00 H new ATOM 0 HA ARG A 153 22.368 -11.389 -19.749 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.256 -10.379 -21.916 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.617 -10.705 -21.387 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.160 -8.529 -21.886 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.046 -8.110 -20.433 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.860 -7.315 -21.611 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.816 -8.634 -22.764 1.00 0.00 H new ATOM 0 HE ARG A 153 21.737 -7.192 -24.235 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.202 -6.058 -20.916 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.090 -4.775 -21.403 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.173 -5.619 -24.840 1.00 0.00 H new ATOM 0 HH22 ARG A 153 19.508 -4.526 -23.622 1.00 0.00 H new ATOM 239 N ILE A 154 22.953 -8.297 -18.788 1.00 0.00 N ATOM 240 CA ILE A 154 24.031 -7.415 -18.353 1.00 0.00 C ATOM 241 C ILE A 154 24.757 -8.063 -17.175 1.00 0.00 C ATOM 242 O ILE A 154 25.984 -8.113 -17.156 1.00 0.00 O ATOM 243 CB ILE A 154 23.468 -6.033 -17.968 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.221 -5.217 -19.244 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.472 -5.291 -17.071 1.00 0.00 C ATOM 246 CD1 ILE A 154 22.313 -4.019 -18.949 1.00 0.00 C ATOM 0 H ILE A 154 22.015 -7.945 -18.594 1.00 0.00 H new ATOM 0 HA ILE A 154 24.740 -7.266 -19.168 1.00 0.00 H new ATOM 0 HB ILE A 154 22.532 -6.161 -17.425 1.00 0.00 H new ATOM 0 HG12 ILE A 154 24.171 -4.869 -19.650 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.762 -5.850 -20.004 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.068 -4.315 -16.803 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.650 -5.872 -16.166 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.412 -5.160 -17.608 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.149 -3.452 -19.866 1.00 0.00 H new ATOM 0 HD12 ILE A 154 21.356 -4.373 -18.565 1.00 0.00 H new ATOM 0 HD13 ILE A 154 22.787 -3.378 -18.206 1.00 0.00 H new ATOM 258 N LEU A 155 23.992 -8.556 -16.192 1.00 0.00 N ATOM 259 CA LEU A 155 24.554 -9.186 -15.007 1.00 0.00 C ATOM 260 C LEU A 155 25.443 -10.363 -15.407 1.00 0.00 C ATOM 261 O LEU A 155 26.576 -10.467 -14.944 1.00 0.00 O ATOM 262 CB LEU A 155 23.405 -9.653 -14.099 1.00 0.00 C ATOM 263 CG LEU A 155 23.942 -10.134 -12.741 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.501 -8.941 -11.958 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.806 -10.778 -11.943 1.00 0.00 C ATOM 0 H LEU A 155 22.972 -8.526 -16.202 1.00 0.00 H new ATOM 0 HA LEU A 155 25.171 -8.470 -14.464 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.700 -8.835 -13.947 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.857 -10.460 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 155 24.734 -10.865 -12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.881 -9.283 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.310 -8.481 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.710 -8.209 -11.796 1.00 0.00 H new ATOM 0 HD21 LEU A 155 23.186 -11.119 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 155 22.014 -10.046 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.408 -11.628 -12.498 1.00 0.00 H new ATOM 277 N TYR A 156 24.920 -11.247 -16.261 1.00 0.00 N ATOM 278 CA TYR A 156 25.645 -12.429 -16.698 1.00 0.00 C ATOM 279 C TYR A 156 26.958 -12.040 -17.370 1.00 0.00 C ATOM 280 O TYR A 156 28.023 -12.492 -16.955 1.00 0.00 O ATOM 281 CB TYR A 156 24.758 -13.239 -17.657 1.00 0.00 C ATOM 282 CG TYR A 156 25.129 -14.706 -17.755 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.375 -15.091 -18.287 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.218 -15.687 -17.322 1.00 0.00 C ATOM 285 CE1 TYR A 156 26.710 -16.454 -18.375 1.00 0.00 C ATOM 286 CE2 TYR A 156 24.556 -17.049 -17.410 1.00 0.00 C ATOM 287 CZ TYR A 156 25.800 -17.431 -17.936 1.00 0.00 C ATOM 288 OH TYR A 156 26.126 -18.753 -18.022 1.00 0.00 O ATOM 0 H TYR A 156 23.987 -11.159 -16.663 1.00 0.00 H new ATOM 0 HA TYR A 156 25.889 -13.043 -15.831 1.00 0.00 H new ATOM 0 HB2 TYR A 156 23.721 -13.159 -17.331 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.815 -12.794 -18.650 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.073 -14.340 -18.627 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.259 -15.394 -16.922 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.666 -16.750 -18.780 1.00 0.00 H new ATOM 0 HE2 TYR A 156 23.858 -17.801 -17.073 1.00 0.00 H new ATOM 0 HH TYR A 156 25.387 -19.295 -17.675 1.00 0.00 H new ATOM 298 N GLN A 157 26.883 -11.206 -18.412 1.00 0.00 N ATOM 299 CA GLN A 157 28.062 -10.792 -19.151 1.00 0.00 C ATOM 300 C GLN A 157 29.074 -10.129 -18.213 1.00 0.00 C ATOM 301 O GLN A 157 30.255 -10.469 -18.233 1.00 0.00 O ATOM 302 CB GLN A 157 27.641 -9.829 -20.270 1.00 0.00 C ATOM 303 CG GLN A 157 28.822 -9.558 -21.210 1.00 0.00 C ATOM 304 CD GLN A 157 29.213 -10.817 -21.980 1.00 0.00 C ATOM 305 OE1 GLN A 157 30.239 -11.433 -21.694 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.392 -11.200 -22.958 1.00 0.00 N ATOM 0 H GLN A 157 26.010 -10.807 -18.758 1.00 0.00 H new ATOM 0 HA GLN A 157 28.541 -11.665 -19.594 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.810 -10.255 -20.832 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.288 -8.892 -19.839 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.558 -8.766 -21.911 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.675 -9.201 -20.633 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.552 -10.658 -23.160 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.604 -12.035 -23.504 1.00 0.00 H new ATOM 315 N ALA A 158 28.604 -9.180 -17.397 1.00 0.00 N ATOM 316 CA ALA A 158 29.461 -8.445 -16.483 1.00 0.00 C ATOM 317 C ALA A 158 30.171 -9.387 -15.519 1.00 0.00 C ATOM 318 O ALA A 158 31.363 -9.238 -15.276 1.00 0.00 O ATOM 319 CB ALA A 158 28.614 -7.447 -15.695 1.00 0.00 C ATOM 0 H ALA A 158 27.622 -8.906 -17.357 1.00 0.00 H new ATOM 0 HA ALA A 158 30.219 -7.919 -17.063 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.252 -6.892 -15.007 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.134 -6.753 -16.385 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.851 -7.983 -15.130 1.00 0.00 H new ATOM 325 N HIS A 159 29.431 -10.343 -14.958 1.00 0.00 N ATOM 326 CA HIS A 159 29.969 -11.261 -13.969 1.00 0.00 C ATOM 327 C HIS A 159 31.277 -11.903 -14.434 1.00 0.00 C ATOM 328 O HIS A 159 32.202 -12.046 -13.640 1.00 0.00 O ATOM 329 CB HIS A 159 28.937 -12.342 -13.661 1.00 0.00 C ATOM 330 CG HIS A 159 29.363 -13.186 -12.499 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.555 -14.559 -12.586 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.659 -12.866 -11.207 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.944 -14.972 -11.363 1.00 0.00 C ATOM 334 NE2 HIS A 159 30.027 -13.983 -10.471 1.00 0.00 N ATOM 0 H HIS A 159 28.447 -10.498 -15.179 1.00 0.00 H new ATOM 0 HA HIS A 159 30.189 -10.690 -13.067 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.975 -11.878 -13.443 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.795 -12.973 -14.539 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.427 -15.141 -13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.613 -11.865 -10.805 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.167 -16.002 -11.128 1.00 0.00 H new ATOM 342 N LYS A 160 31.350 -12.308 -15.704 1.00 0.00 N ATOM 343 CA LYS A 160 32.531 -12.997 -16.221 1.00 0.00 C ATOM 344 C LYS A 160 33.552 -12.011 -16.806 1.00 0.00 C ATOM 345 O LYS A 160 34.716 -12.374 -16.981 1.00 0.00 O ATOM 346 CB LYS A 160 32.117 -14.064 -17.255 1.00 0.00 C ATOM 347 CG LYS A 160 31.144 -13.489 -18.299 1.00 0.00 C ATOM 348 CD LYS A 160 30.777 -14.579 -19.315 1.00 0.00 C ATOM 349 CE LYS A 160 31.851 -14.674 -20.407 1.00 0.00 C ATOM 350 NZ LYS A 160 31.501 -13.840 -21.571 1.00 0.00 N ATOM 0 H LYS A 160 30.608 -12.171 -16.390 1.00 0.00 H new ATOM 0 HA LYS A 160 33.022 -13.500 -15.388 1.00 0.00 H new ATOM 0 HB2 LYS A 160 33.004 -14.450 -17.757 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.649 -14.905 -16.744 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.245 -13.118 -17.807 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.601 -12.641 -18.809 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.678 -15.539 -18.808 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.810 -14.355 -19.765 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.813 -14.356 -20.004 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.964 -15.712 -20.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.362 -13.619 -22.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.834 -14.356 -22.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.060 -12.956 -21.245 1.00 0.00 H new ATOM 364 N ARG A 161 33.132 -10.774 -17.118 1.00 0.00 N ATOM 365 CA ARG A 161 34.043 -9.763 -17.663 1.00 0.00 C ATOM 366 C ARG A 161 34.657 -8.957 -16.520 1.00 0.00 C ATOM 367 O ARG A 161 35.871 -8.984 -16.326 1.00 0.00 O ATOM 368 CB ARG A 161 33.287 -8.847 -18.642 1.00 0.00 C ATOM 369 CG ARG A 161 33.681 -9.166 -20.096 1.00 0.00 C ATOM 370 CD ARG A 161 33.143 -10.543 -20.514 1.00 0.00 C ATOM 371 NE ARG A 161 33.949 -11.635 -19.946 1.00 0.00 N ATOM 372 CZ ARG A 161 35.195 -11.933 -20.355 1.00 0.00 C ATOM 373 NH1 ARG A 161 35.693 -11.392 -21.476 1.00 0.00 N ATOM 374 NH2 ARG A 161 35.943 -12.774 -19.629 1.00 0.00 N ATOM 0 H ARG A 161 32.171 -10.454 -17.002 1.00 0.00 H new ATOM 0 HA ARG A 161 34.848 -10.253 -18.211 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.212 -8.977 -18.514 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.511 -7.804 -18.419 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.287 -8.398 -20.762 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.766 -9.148 -20.196 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.109 -10.645 -20.186 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.141 -10.619 -21.601 1.00 0.00 H new ATOM 0 HE ARG A 161 33.540 -12.198 -19.200 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.126 -10.748 -22.027 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.639 -11.624 -21.778 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.566 -13.183 -18.774 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.889 -13.006 -19.931 1.00 0.00 H new ATOM 388 N LEU A 162 33.817 -8.243 -15.767 1.00 0.00 N ATOM 389 CA LEU A 162 34.276 -7.440 -14.644 1.00 0.00 C ATOM 390 C LEU A 162 34.767 -8.364 -13.537 1.00 0.00 C ATOM 391 O LEU A 162 35.754 -8.062 -12.868 1.00 0.00 O ATOM 392 CB LEU A 162 33.122 -6.560 -14.122 1.00 0.00 C ATOM 393 CG LEU A 162 32.928 -5.294 -14.983 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.135 -4.359 -14.838 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.733 -5.667 -16.457 1.00 0.00 C ATOM 0 H LEU A 162 32.809 -8.208 -15.921 1.00 0.00 H new ATOM 0 HA LEU A 162 35.092 -6.793 -14.967 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.199 -7.139 -14.115 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.324 -6.270 -13.091 1.00 0.00 H new ATOM 0 HG LEU A 162 32.035 -4.778 -14.631 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.983 -3.471 -15.451 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.244 -4.065 -13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.037 -4.876 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.598 -4.760 -17.047 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.610 -6.206 -16.815 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.852 -6.301 -16.558 1.00 0.00 H new ATOM 407 N GLY A 163 34.066 -9.491 -13.348 1.00 0.00 N ATOM 408 CA GLY A 163 34.398 -10.460 -12.318 1.00 0.00 C ATOM 409 C GLY A 163 33.313 -10.452 -11.249 1.00 0.00 C ATOM 410 O GLY A 163 32.245 -9.875 -11.449 1.00 0.00 O ATOM 0 H GLY A 163 33.254 -9.748 -13.910 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.487 -11.455 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.364 -10.219 -11.874 1.00 0.00 H new ATOM 414 N ASN A 164 33.587 -11.086 -10.109 1.00 0.00 N ATOM 415 CA ASN A 164 32.639 -11.140 -9.003 1.00 0.00 C ATOM 416 C ASN A 164 32.735 -9.846 -8.185 1.00 0.00 C ATOM 417 O ASN A 164 32.849 -9.880 -6.962 1.00 0.00 O ATOM 418 CB ASN A 164 32.946 -12.381 -8.160 1.00 0.00 C ATOM 419 CG ASN A 164 31.791 -12.714 -7.217 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.840 -12.402 -6.032 1.00 0.00 O ATOM 421 ND2 ASN A 164 30.750 -13.356 -7.748 1.00 0.00 N ATOM 0 H ASN A 164 34.466 -11.572 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 164 31.615 -11.219 -9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.138 -13.230 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 164 33.854 -12.214 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 164 29.953 -13.607 -7.163 1.00 0.00 H new ATOM 0 HD22 ASN A 164 30.751 -13.596 -8.739 1.00 0.00 H new ATOM 428 N ARG A 165 32.681 -8.702 -8.885 1.00 0.00 N ATOM 429 CA ARG A 165 32.734 -7.383 -8.269 1.00 0.00 C ATOM 430 C ARG A 165 31.374 -6.718 -8.456 1.00 0.00 C ATOM 431 O ARG A 165 31.261 -5.679 -9.106 1.00 0.00 O ATOM 432 CB ARG A 165 33.852 -6.560 -8.919 1.00 0.00 C ATOM 433 CG ARG A 165 35.207 -6.996 -8.353 1.00 0.00 C ATOM 434 CD ARG A 165 36.334 -6.411 -9.209 1.00 0.00 C ATOM 435 NE ARG A 165 36.652 -7.296 -10.339 1.00 0.00 N ATOM 436 CZ ARG A 165 37.497 -8.340 -10.246 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.040 -8.672 -9.068 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.789 -9.052 -11.339 1.00 0.00 N ATOM 0 H ARG A 165 32.599 -8.675 -9.901 1.00 0.00 H new ATOM 0 HA ARG A 165 32.952 -7.457 -7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.837 -6.698 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.692 -5.498 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.307 -6.658 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.274 -8.084 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.040 -5.430 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.223 -6.265 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 165 36.210 -7.110 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.814 -8.132 -8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.679 -9.464 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.372 -8.803 -12.236 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.428 -9.844 -11.276 1.00 0.00 H new ATOM 452 N TRP A 166 30.342 -7.346 -7.887 1.00 0.00 N ATOM 453 CA TRP A 166 28.967 -6.884 -7.993 1.00 0.00 C ATOM 454 C TRP A 166 28.855 -5.385 -7.709 1.00 0.00 C ATOM 455 O TRP A 166 28.098 -4.683 -8.381 1.00 0.00 O ATOM 456 CB TRP A 166 28.117 -7.672 -7.005 1.00 0.00 C ATOM 457 CG TRP A 166 28.205 -9.161 -7.143 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.708 -10.001 -6.223 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.776 -10.016 -8.246 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.601 -11.302 -6.632 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.016 -11.376 -7.880 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.197 -9.792 -9.518 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.680 -12.443 -8.711 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.865 -10.870 -10.362 1.00 0.00 C ATOM 465 CH2 TRP A 166 27.097 -12.190 -9.953 1.00 0.00 C ATOM 0 H TRP A 166 30.445 -8.198 -7.335 1.00 0.00 H new ATOM 0 HA TRP A 166 28.614 -7.047 -9.011 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.414 -7.398 -5.993 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.076 -7.372 -7.124 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.140 -9.690 -5.283 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.911 -12.108 -6.089 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.007 -8.781 -9.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.870 -13.458 -8.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.429 -10.678 -11.331 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.825 -13.011 -10.599 1.00 0.00 H new ATOM 476 N ALA A 167 29.605 -4.901 -6.710 1.00 0.00 N ATOM 477 CA ALA A 167 29.587 -3.497 -6.331 1.00 0.00 C ATOM 478 C ALA A 167 29.812 -2.605 -7.554 1.00 0.00 C ATOM 479 O ALA A 167 29.114 -1.607 -7.728 1.00 0.00 O ATOM 480 CB ALA A 167 30.671 -3.247 -5.280 1.00 0.00 C ATOM 0 H ALA A 167 30.235 -5.475 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 167 28.612 -3.251 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 167 30.663 -2.196 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 167 30.477 -3.865 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 167 31.646 -3.502 -5.695 1.00 0.00 H new ATOM 486 N GLU A 168 30.789 -2.962 -8.399 1.00 0.00 N ATOM 487 CA GLU A 168 31.103 -2.176 -9.580 1.00 0.00 C ATOM 488 C GLU A 168 30.121 -2.487 -10.708 1.00 0.00 C ATOM 489 O GLU A 168 29.824 -1.619 -11.515 1.00 0.00 O ATOM 490 CB GLU A 168 32.545 -2.448 -10.023 1.00 0.00 C ATOM 491 CG GLU A 168 32.933 -1.426 -11.099 1.00 0.00 C ATOM 492 CD GLU A 168 34.415 -1.490 -11.437 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.021 -2.549 -11.166 1.00 0.00 O ATOM 494 OE2 GLU A 168 34.911 -0.468 -11.966 1.00 0.00 O ATOM 0 H GLU A 168 31.370 -3.791 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 168 31.009 -1.118 -9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.222 -2.375 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.635 -3.461 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.347 -1.608 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.683 -0.423 -10.753 1.00 0.00 H new ATOM 501 N ILE A 169 29.613 -3.721 -10.777 1.00 0.00 N ATOM 502 CA ILE A 169 28.674 -4.092 -11.828 1.00 0.00 C ATOM 503 C ILE A 169 27.414 -3.222 -11.735 1.00 0.00 C ATOM 504 O ILE A 169 26.848 -2.843 -12.762 1.00 0.00 O ATOM 505 CB ILE A 169 28.346 -5.590 -11.731 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.616 -6.398 -12.061 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.229 -5.941 -12.724 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.349 -7.900 -11.940 1.00 0.00 C ATOM 0 H ILE A 169 29.836 -4.470 -10.122 1.00 0.00 H new ATOM 0 HA ILE A 169 29.125 -3.915 -12.804 1.00 0.00 H new ATOM 0 HB ILE A 169 28.008 -5.832 -10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.950 -6.163 -13.072 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.421 -6.111 -11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.999 -7.004 -12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.337 -5.360 -12.489 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.557 -5.708 -13.737 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.259 -8.452 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.038 -8.133 -10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.560 -8.186 -12.635 1.00 0.00 H new ATOM 520 N ALA A 170 26.972 -2.893 -10.509 1.00 0.00 N ATOM 521 CA ALA A 170 25.792 -2.054 -10.323 1.00 0.00 C ATOM 522 C ALA A 170 26.077 -0.607 -10.755 1.00 0.00 C ATOM 523 O ALA A 170 25.157 0.197 -10.828 1.00 0.00 O ATOM 524 CB ALA A 170 25.333 -2.102 -8.867 1.00 0.00 C ATOM 0 H ALA A 170 27.416 -3.196 -9.642 1.00 0.00 H new ATOM 0 HA ALA A 170 24.991 -2.442 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.452 -1.472 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.086 -3.129 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.133 -1.740 -8.221 1.00 0.00 H new ATOM 530 N LYS A 171 27.344 -0.275 -11.054 1.00 0.00 N ATOM 531 CA LYS A 171 27.699 1.058 -11.530 1.00 0.00 C ATOM 532 C LYS A 171 26.957 1.331 -12.839 1.00 0.00 C ATOM 533 O LYS A 171 26.564 2.463 -13.113 1.00 0.00 O ATOM 534 CB LYS A 171 29.217 1.131 -11.736 1.00 0.00 C ATOM 535 CG LYS A 171 29.652 2.565 -12.067 1.00 0.00 C ATOM 536 CD LYS A 171 31.149 2.741 -11.757 1.00 0.00 C ATOM 537 CE LYS A 171 31.989 1.739 -12.567 1.00 0.00 C ATOM 538 NZ LYS A 171 33.413 1.809 -12.185 1.00 0.00 N ATOM 0 H LYS A 171 28.133 -0.916 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 171 27.412 1.814 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.728 0.790 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.512 0.461 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.462 2.779 -13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.065 3.276 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.458 3.759 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.325 2.594 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.614 0.729 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.884 1.948 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.845 0.868 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.906 2.483 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.492 2.125 -11.197 1.00 0.00 H new ATOM 552 N LEU A 172 26.766 0.273 -13.643 1.00 0.00 N ATOM 553 CA LEU A 172 26.060 0.373 -14.909 1.00 0.00 C ATOM 554 C LEU A 172 24.552 0.442 -14.658 1.00 0.00 C ATOM 555 O LEU A 172 23.824 1.049 -15.439 1.00 0.00 O ATOM 556 CB LEU A 172 26.396 -0.848 -15.779 1.00 0.00 C ATOM 557 CG LEU A 172 27.914 -0.954 -16.010 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.232 -2.305 -16.657 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.389 0.173 -16.934 1.00 0.00 C ATOM 0 H LEU A 172 27.099 -0.667 -13.426 1.00 0.00 H new ATOM 0 HA LEU A 172 26.371 1.279 -15.428 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.033 -1.755 -15.296 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.882 -0.770 -16.737 1.00 0.00 H new ATOM 0 HG LEU A 172 28.427 -0.868 -15.052 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.306 -2.385 -16.823 1.00 0.00 H new ATOM 0 HD12 LEU A 172 27.905 -3.110 -15.998 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.711 -2.383 -17.611 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.464 0.087 -17.090 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.876 0.098 -17.893 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.164 1.137 -16.477 1.00 0.00 H new ATOM 571 N LEU A 173 24.088 -0.189 -13.563 1.00 0.00 N ATOM 572 CA LEU A 173 22.673 -0.217 -13.211 1.00 0.00 C ATOM 573 C LEU A 173 22.484 0.241 -11.762 1.00 0.00 C ATOM 574 O LEU A 173 22.299 -0.592 -10.874 1.00 0.00 O ATOM 575 CB LEU A 173 22.136 -1.643 -13.405 1.00 0.00 C ATOM 576 CG LEU A 173 21.885 -1.921 -14.895 1.00 0.00 C ATOM 577 CD1 LEU A 173 21.858 -3.432 -15.132 1.00 0.00 C ATOM 578 CD2 LEU A 173 20.541 -1.321 -15.319 1.00 0.00 C ATOM 0 H LEU A 173 24.688 -0.689 -12.906 1.00 0.00 H new ATOM 0 HA LEU A 173 22.118 0.464 -13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.850 -2.365 -13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.210 -1.770 -12.844 1.00 0.00 H new ATOM 0 HG LEU A 173 22.684 -1.468 -15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 173 21.680 -3.631 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.815 -3.864 -14.837 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.060 -3.879 -14.539 1.00 0.00 H new ATOM 0 HD21 LEU A 173 20.370 -1.522 -16.377 1.00 0.00 H new ATOM 0 HD22 LEU A 173 19.741 -1.769 -14.730 1.00 0.00 H new ATOM 0 HD23 LEU A 173 20.555 -0.244 -15.152 1.00 0.00 H new ATOM 590 N PRO A 174 22.526 1.568 -11.517 1.00 0.00 N ATOM 591 CA PRO A 174 22.351 2.119 -10.191 1.00 0.00 C ATOM 592 C PRO A 174 20.917 1.894 -9.714 1.00 0.00 C ATOM 593 O PRO A 174 19.994 2.565 -10.173 1.00 0.00 O ATOM 594 CB PRO A 174 22.675 3.612 -10.316 1.00 0.00 C ATOM 595 CG PRO A 174 22.769 3.916 -11.814 1.00 0.00 C ATOM 596 CD PRO A 174 22.749 2.570 -12.539 1.00 0.00 C ATOM 0 HA PRO A 174 23.000 1.642 -9.457 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.900 4.217 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.613 3.848 -9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.935 4.541 -12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.684 4.464 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.960 2.543 -13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.690 2.393 -13.059 1.00 0.00 H new ATOM 604 N GLY A 175 20.734 0.946 -8.793 1.00 0.00 N ATOM 605 CA GLY A 175 19.423 0.635 -8.256 1.00 0.00 C ATOM 606 C GLY A 175 19.513 -0.602 -7.375 1.00 0.00 C ATOM 607 O GLY A 175 19.496 -0.497 -6.151 1.00 0.00 O ATOM 0 H GLY A 175 21.489 0.380 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.046 1.479 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.717 0.464 -9.069 1.00 0.00 H new ATOM 611 N ARG A 176 19.614 -1.779 -8.004 1.00 0.00 N ATOM 612 CA ARG A 176 19.724 -3.032 -7.274 1.00 0.00 C ATOM 613 C ARG A 176 21.080 -3.087 -6.557 1.00 0.00 C ATOM 614 O ARG A 176 22.097 -2.662 -7.108 1.00 0.00 O ATOM 615 CB ARG A 176 19.506 -4.223 -8.236 1.00 0.00 C ATOM 616 CG ARG A 176 20.781 -4.588 -9.022 1.00 0.00 C ATOM 617 CD ARG A 176 21.150 -3.486 -10.020 1.00 0.00 C ATOM 618 NE ARG A 176 22.282 -3.905 -10.856 1.00 0.00 N ATOM 619 CZ ARG A 176 22.176 -4.800 -11.858 1.00 0.00 C ATOM 620 NH1 ARG A 176 20.982 -5.314 -12.185 1.00 0.00 N ATOM 621 NH2 ARG A 176 23.269 -5.178 -12.532 1.00 0.00 N ATOM 0 H ARG A 176 19.621 -1.882 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 176 18.949 -3.097 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 176 19.174 -5.090 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 176 18.708 -3.978 -8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 176 21.607 -4.745 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.628 -5.527 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 176 20.291 -3.256 -10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 176 21.406 -2.572 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 176 23.198 -3.497 -10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 176 20.147 -5.028 -11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 176 20.909 -5.991 -12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 176 24.179 -4.789 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 176 23.191 -5.855 -13.291 1.00 0.00 H new ATOM 635 N THR A 177 21.084 -3.598 -5.319 1.00 0.00 N ATOM 636 CA THR A 177 22.300 -3.680 -4.513 1.00 0.00 C ATOM 637 C THR A 177 22.958 -5.052 -4.684 1.00 0.00 C ATOM 638 O THR A 177 22.373 -5.960 -5.283 1.00 0.00 O ATOM 639 CB THR A 177 21.948 -3.402 -3.045 1.00 0.00 C ATOM 640 OG1 THR A 177 23.131 -3.294 -2.285 1.00 0.00 O ATOM 641 CG2 THR A 177 21.090 -4.536 -2.484 1.00 0.00 C ATOM 0 H THR A 177 20.251 -3.962 -4.855 1.00 0.00 H new ATOM 0 HA THR A 177 23.018 -2.931 -4.846 1.00 0.00 H new ATOM 0 HB THR A 177 21.389 -2.468 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.903 -3.115 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.847 -4.327 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.170 -4.616 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 177 21.641 -5.474 -2.547 1.00 0.00 H new ATOM 649 N ASP A 178 24.185 -5.196 -4.156 1.00 0.00 N ATOM 650 CA ASP A 178 24.950 -6.430 -4.275 1.00 0.00 C ATOM 651 C ASP A 178 24.178 -7.606 -3.672 1.00 0.00 C ATOM 652 O ASP A 178 24.134 -8.681 -4.263 1.00 0.00 O ATOM 653 CB ASP A 178 26.317 -6.259 -3.594 1.00 0.00 C ATOM 654 CG ASP A 178 26.196 -6.322 -2.075 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.584 -5.389 -1.516 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.717 -7.306 -1.507 1.00 0.00 O ATOM 0 H ASP A 178 24.665 -4.459 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 178 25.111 -6.648 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.996 -7.039 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.753 -5.304 -3.886 1.00 0.00 H new ATOM 661 N ASN A 179 23.571 -7.406 -2.497 1.00 0.00 N ATOM 662 CA ASN A 179 22.821 -8.459 -1.830 1.00 0.00 C ATOM 663 C ASN A 179 21.778 -9.042 -2.784 1.00 0.00 C ATOM 664 O ASN A 179 21.764 -10.245 -3.025 1.00 0.00 O ATOM 665 CB ASN A 179 22.157 -7.899 -0.569 1.00 0.00 C ATOM 666 CG ASN A 179 21.453 -9.007 0.208 1.00 0.00 C ATOM 667 OD1 ASN A 179 20.229 -9.111 0.178 1.00 0.00 O ATOM 668 ND2 ASN A 179 22.228 -9.840 0.903 1.00 0.00 N ATOM 0 H ASN A 179 23.589 -6.520 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 179 23.500 -9.260 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.908 -7.425 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.438 -7.127 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.808 -10.600 1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.241 -9.717 0.900 1.00 0.00 H new ATOM 675 N ALA A 180 20.909 -8.183 -3.328 1.00 0.00 N ATOM 676 CA ALA A 180 19.865 -8.609 -4.248 1.00 0.00 C ATOM 677 C ALA A 180 20.478 -9.280 -5.477 1.00 0.00 C ATOM 678 O ALA A 180 19.955 -10.279 -5.964 1.00 0.00 O ATOM 679 CB ALA A 180 19.036 -7.395 -4.663 1.00 0.00 C ATOM 0 H ALA A 180 20.914 -7.180 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 180 19.221 -9.335 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.252 -7.708 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.584 -6.944 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.680 -6.665 -5.153 1.00 0.00 H new ATOM 685 N ILE A 181 21.588 -8.728 -5.976 1.00 0.00 N ATOM 686 CA ILE A 181 22.268 -9.270 -7.143 1.00 0.00 C ATOM 687 C ILE A 181 22.671 -10.713 -6.902 1.00 0.00 C ATOM 688 O ILE A 181 22.426 -11.564 -7.740 1.00 0.00 O ATOM 689 CB ILE A 181 23.498 -8.415 -7.445 1.00 0.00 C ATOM 690 CG1 ILE A 181 23.076 -7.221 -8.281 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.529 -9.232 -8.215 1.00 0.00 C ATOM 692 CD1 ILE A 181 24.093 -6.085 -8.135 1.00 0.00 C ATOM 0 H ILE A 181 22.033 -7.899 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 181 21.592 -9.249 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 181 23.942 -8.078 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.994 -7.512 -9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.090 -6.878 -7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.401 -8.613 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.830 -10.093 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 181 24.094 -9.576 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.778 -5.235 -8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.154 -5.784 -7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 181 25.072 -6.427 -8.472 1.00 0.00 H new ATOM 704 N LYS A 182 23.295 -10.986 -5.766 1.00 0.00 N ATOM 705 CA LYS A 182 23.735 -12.326 -5.441 1.00 0.00 C ATOM 706 C LYS A 182 22.549 -13.213 -5.180 1.00 0.00 C ATOM 707 O LYS A 182 22.536 -14.358 -5.612 1.00 0.00 O ATOM 708 CB LYS A 182 24.610 -12.274 -4.219 1.00 0.00 C ATOM 709 CG LYS A 182 25.997 -11.803 -4.621 1.00 0.00 C ATOM 710 CD LYS A 182 26.540 -10.868 -3.536 1.00 0.00 C ATOM 711 CE LYS A 182 26.477 -11.553 -2.156 1.00 0.00 C ATOM 712 NZ LYS A 182 27.530 -12.577 -2.022 1.00 0.00 N ATOM 0 H LYS A 182 23.507 -10.289 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 182 24.298 -12.734 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.183 -11.597 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.667 -13.259 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.662 -12.657 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.956 -11.284 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.569 -10.593 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.960 -9.945 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.590 -10.806 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.498 -12.013 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.464 -13.022 -1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.406 -13.301 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.463 -12.131 -2.129 1.00 0.00 H new ATOM 726 N ASN A 183 21.546 -12.690 -4.472 1.00 0.00 N ATOM 727 CA ASN A 183 20.356 -13.457 -4.191 1.00 0.00 C ATOM 728 C ASN A 183 19.795 -13.953 -5.524 1.00 0.00 C ATOM 729 O ASN A 183 19.377 -15.105 -5.648 1.00 0.00 O ATOM 730 CB ASN A 183 19.327 -12.586 -3.460 1.00 0.00 C ATOM 731 CG ASN A 183 19.812 -12.186 -2.069 1.00 0.00 C ATOM 732 OD1 ASN A 183 20.727 -12.796 -1.520 1.00 0.00 O ATOM 733 ND2 ASN A 183 19.192 -11.154 -1.498 1.00 0.00 N ATOM 0 H ASN A 183 21.544 -11.744 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 183 20.589 -14.304 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.126 -11.690 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.386 -13.129 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.472 -10.841 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.437 -10.677 -1.990 1.00 0.00 H new ATOM 740 N HIS A 184 19.813 -13.061 -6.527 1.00 0.00 N ATOM 741 CA HIS A 184 19.364 -13.374 -7.866 1.00 0.00 C ATOM 742 C HIS A 184 20.320 -14.389 -8.507 1.00 0.00 C ATOM 743 O HIS A 184 19.879 -15.416 -9.025 1.00 0.00 O ATOM 744 CB HIS A 184 19.313 -12.078 -8.699 1.00 0.00 C ATOM 745 CG HIS A 184 18.739 -12.304 -10.068 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.376 -12.424 -10.303 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.323 -12.449 -11.299 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.229 -12.630 -11.627 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.382 -12.655 -12.292 1.00 0.00 N ATOM 0 H HIS A 184 20.143 -12.102 -6.417 1.00 0.00 H new ATOM 0 HA HIS A 184 18.367 -13.812 -7.830 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.713 -11.334 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.319 -11.668 -8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.388 -12.408 -11.473 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.268 -12.762 -12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.535 -12.793 -13.291 1.00 0.00 H new ATOM 757 N TRP A 185 21.630 -14.094 -8.475 1.00 0.00 N ATOM 758 CA TRP A 185 22.638 -14.942 -9.099 1.00 0.00 C ATOM 759 C TRP A 185 22.662 -16.344 -8.474 1.00 0.00 C ATOM 760 O TRP A 185 23.132 -17.292 -9.103 1.00 0.00 O ATOM 761 CB TRP A 185 24.025 -14.288 -9.016 1.00 0.00 C ATOM 762 CG TRP A 185 25.003 -14.883 -9.973 1.00 0.00 C ATOM 763 CD1 TRP A 185 26.047 -15.669 -9.655 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.025 -14.779 -11.425 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.718 -16.072 -10.785 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.121 -15.551 -11.921 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.226 -14.116 -12.384 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.395 -15.664 -13.286 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.505 -14.228 -13.761 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.585 -15.006 -14.206 1.00 0.00 C ATOM 0 H TRP A 185 22.010 -13.265 -8.017 1.00 0.00 H new ATOM 0 HA TRP A 185 22.370 -15.054 -10.150 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.931 -13.221 -9.216 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.409 -14.389 -8.001 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.321 -15.946 -8.648 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.543 -16.672 -10.787 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.390 -13.515 -12.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.230 -16.258 -13.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.884 -13.712 -14.478 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.787 -15.094 -15.263 1.00 0.00 H new ATOM 781 N ASN A 186 22.170 -16.474 -7.241 1.00 0.00 N ATOM 782 CA ASN A 186 22.180 -17.742 -6.529 1.00 0.00 C ATOM 783 C ASN A 186 20.902 -18.547 -6.780 1.00 0.00 C ATOM 784 O ASN A 186 20.967 -19.671 -7.265 1.00 0.00 O ATOM 785 CB ASN A 186 22.337 -17.461 -5.029 1.00 0.00 C ATOM 786 CG ASN A 186 21.999 -18.698 -4.202 1.00 0.00 C ATOM 787 OD1 ASN A 186 20.940 -18.760 -3.584 1.00 0.00 O ATOM 788 ND2 ASN A 186 22.899 -19.682 -4.196 1.00 0.00 N ATOM 0 H ASN A 186 21.756 -15.704 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 186 23.015 -18.340 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.360 -17.147 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.685 -16.637 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 186 22.721 -20.533 -3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 186 23.765 -19.584 -4.726 1.00 0.00 H new ATOM 795 N SER A 187 19.749 -17.982 -6.405 1.00 0.00 N ATOM 796 CA SER A 187 18.486 -18.709 -6.429 1.00 0.00 C ATOM 797 C SER A 187 17.830 -18.753 -7.814 1.00 0.00 C ATOM 798 O SER A 187 17.441 -19.827 -8.266 1.00 0.00 O ATOM 799 CB SER A 187 17.536 -18.063 -5.417 1.00 0.00 C ATOM 800 OG SER A 187 18.068 -18.202 -4.114 1.00 0.00 O ATOM 0 H SER A 187 19.670 -17.018 -6.081 1.00 0.00 H new ATOM 0 HA SER A 187 18.697 -19.746 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.398 -17.008 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 187 16.554 -18.533 -5.472 1.00 0.00 H new ATOM 0 HG SER A 187 19.023 -18.415 -4.172 1.00 0.00 H new ATOM 806 N THR A 188 17.668 -17.602 -8.475 1.00 0.00 N ATOM 807 CA THR A 188 16.920 -17.552 -9.734 1.00 0.00 C ATOM 808 C THR A 188 17.755 -18.033 -10.914 1.00 0.00 C ATOM 809 O THR A 188 17.272 -18.820 -11.725 1.00 0.00 O ATOM 810 CB THR A 188 16.396 -16.130 -9.980 1.00 0.00 C ATOM 811 OG1 THR A 188 17.471 -15.257 -10.216 1.00 0.00 O ATOM 812 CG2 THR A 188 15.605 -15.641 -8.764 1.00 0.00 C ATOM 0 H THR A 188 18.039 -16.704 -8.164 1.00 0.00 H new ATOM 0 HA THR A 188 16.073 -18.232 -9.645 1.00 0.00 H new ATOM 0 HB THR A 188 15.742 -16.146 -10.852 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.233 -14.356 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.239 -14.632 -8.950 1.00 0.00 H new ATOM 0 HG22 THR A 188 14.760 -16.307 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.252 -15.636 -7.887 1.00 0.00 H new ATOM 820 N MET A 189 18.992 -17.560 -11.027 1.00 0.00 N ATOM 821 CA MET A 189 19.848 -17.929 -12.137 1.00 0.00 C ATOM 822 C MET A 189 20.112 -19.434 -12.144 1.00 0.00 C ATOM 823 O MET A 189 19.969 -20.081 -13.180 1.00 0.00 O ATOM 824 CB MET A 189 21.162 -17.165 -12.029 1.00 0.00 C ATOM 825 CG MET A 189 20.957 -15.678 -12.348 1.00 0.00 C ATOM 826 SD MET A 189 20.137 -15.330 -13.927 1.00 0.00 S ATOM 827 CE MET A 189 21.278 -16.170 -15.050 1.00 0.00 C ATOM 0 H MET A 189 19.420 -16.919 -10.359 1.00 0.00 H new ATOM 0 HA MET A 189 19.349 -17.672 -13.071 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.569 -17.273 -11.024 1.00 0.00 H new ATOM 0 HB3 MET A 189 21.893 -17.591 -12.716 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.371 -15.229 -11.546 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.929 -15.186 -12.346 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.031 -15.912 -16.080 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.299 -15.857 -14.833 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.193 -17.248 -14.915 1.00 0.00 H new