USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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= 0.405 K(o=0.91,f=0.16) USER MOD Set 1.2: A 188 THR OG1 : rot 141:sc= 0.507 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.0971 K(o=0.2,f=-3.4) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.3 X(o=0.2,f=0.22) USER MOD Set 3.1: A 156 TYR OH : rot 165:sc= 1.08 USER MOD Set 3.2: A 160 LYS NZ :NH3+ -109:sc= 1.2 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.675 K(o=0.67,f=-4.6!) USER MOD Single : A 171 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.959) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 179 ASN : amide:sc= 0.983 K(o=0.98,f=-0.035) USER MOD Single : A 182 LYS NZ :NH3+ -157:sc= -1.65 (180deg=-2.43) USER MOD Single : A 183 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 186 ASN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -179:sc= -1.83 (180deg=-1.84) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.243 -9.076 -12.663 1.00 0.00 N ATOM 89 CA TRP A 147 14.384 -8.994 -13.563 1.00 0.00 C ATOM 90 C TRP A 147 13.925 -9.177 -15.004 1.00 0.00 C ATOM 91 O TRP A 147 12.850 -9.725 -15.253 1.00 0.00 O ATOM 92 CB TRP A 147 15.408 -10.061 -13.178 1.00 0.00 C ATOM 93 CG TRP A 147 16.227 -9.713 -11.979 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.131 -10.283 -10.767 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.270 -8.705 -11.851 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.030 -9.723 -9.889 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.768 -8.733 -10.511 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.851 -7.762 -12.729 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.784 -7.881 -10.071 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.874 -6.899 -12.289 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.341 -6.961 -10.967 1.00 0.00 C ATOM 0 HA TRP A 147 14.850 -8.012 -13.478 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.886 -10.999 -12.989 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.075 -10.232 -14.023 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.441 -11.075 -10.515 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.137 -10.000 -8.913 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.506 -7.702 -13.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.136 -7.932 -9.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.303 -6.183 -12.975 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.130 -6.299 -10.641 1.00 0.00 H new ATOM 112 N THR A 148 14.750 -8.709 -15.950 1.00 0.00 N ATOM 113 CA THR A 148 14.455 -8.803 -17.371 1.00 0.00 C ATOM 114 C THR A 148 15.696 -9.290 -18.110 1.00 0.00 C ATOM 115 O THR A 148 16.816 -9.092 -17.639 1.00 0.00 O ATOM 116 CB THR A 148 14.029 -7.426 -17.897 1.00 0.00 C ATOM 117 OG1 THR A 148 15.084 -6.505 -17.712 1.00 0.00 O ATOM 118 CG2 THR A 148 12.786 -6.937 -17.146 1.00 0.00 C ATOM 0 H THR A 148 15.640 -8.255 -15.743 1.00 0.00 H new ATOM 0 HA THR A 148 13.642 -9.510 -17.535 1.00 0.00 H new ATOM 0 HB THR A 148 13.794 -7.507 -18.958 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.813 -5.626 -18.049 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.492 -5.959 -17.527 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.970 -7.644 -17.294 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.011 -6.859 -16.082 1.00 0.00 H new ATOM 126 N GLU A 149 15.492 -9.924 -19.272 1.00 0.00 N ATOM 127 CA GLU A 149 16.587 -10.439 -20.084 1.00 0.00 C ATOM 128 C GLU A 149 17.647 -9.358 -20.290 1.00 0.00 C ATOM 129 O GLU A 149 18.835 -9.624 -20.151 1.00 0.00 O ATOM 130 CB GLU A 149 16.037 -10.910 -21.436 1.00 0.00 C ATOM 131 CG GLU A 149 15.301 -12.246 -21.271 1.00 0.00 C ATOM 132 CD GLU A 149 16.267 -13.384 -20.940 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.445 -13.274 -21.349 1.00 0.00 O ATOM 134 OE2 GLU A 149 15.807 -14.343 -20.285 1.00 0.00 O ATOM 0 H GLU A 149 14.567 -10.090 -19.668 1.00 0.00 H new ATOM 0 HA GLU A 149 17.052 -11.281 -19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.358 -10.160 -21.842 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.853 -11.021 -22.150 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.558 -12.157 -20.479 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.762 -12.481 -22.189 1.00 0.00 H new ATOM 141 N GLU A 150 17.210 -8.137 -20.623 1.00 0.00 N ATOM 142 CA GLU A 150 18.119 -7.026 -20.858 1.00 0.00 C ATOM 143 C GLU A 150 19.096 -6.887 -19.688 1.00 0.00 C ATOM 144 O GLU A 150 20.307 -6.975 -19.879 1.00 0.00 O ATOM 145 CB GLU A 150 17.303 -5.742 -21.048 1.00 0.00 C ATOM 146 CG GLU A 150 18.226 -4.592 -21.466 1.00 0.00 C ATOM 147 CD GLU A 150 17.451 -3.286 -21.592 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.235 -3.369 -21.873 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.090 -2.228 -21.407 1.00 0.00 O ATOM 0 H GLU A 150 16.224 -7.900 -20.734 1.00 0.00 H new ATOM 0 HA GLU A 150 18.702 -7.211 -21.760 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.536 -5.898 -21.806 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.788 -5.488 -20.121 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.023 -4.476 -20.732 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.701 -4.830 -22.418 1.00 0.00 H new ATOM 156 N GLU A 151 18.565 -6.671 -18.480 1.00 0.00 N ATOM 157 CA GLU A 151 19.389 -6.505 -17.292 1.00 0.00 C ATOM 158 C GLU A 151 20.257 -7.743 -17.062 1.00 0.00 C ATOM 159 O GLU A 151 21.429 -7.620 -16.705 1.00 0.00 O ATOM 160 CB GLU A 151 18.491 -6.254 -16.082 1.00 0.00 C ATOM 161 CG GLU A 151 17.869 -4.858 -16.172 1.00 0.00 C ATOM 162 CD GLU A 151 17.085 -4.538 -14.908 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.721 -4.043 -13.952 1.00 0.00 O ATOM 164 OE2 GLU A 151 15.863 -4.796 -14.913 1.00 0.00 O ATOM 0 H GLU A 151 17.562 -6.608 -18.305 1.00 0.00 H new ATOM 0 HA GLU A 151 20.050 -5.650 -17.434 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.706 -7.009 -16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.071 -6.344 -15.163 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.652 -4.114 -16.319 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.210 -4.803 -17.039 1.00 0.00 H new ATOM 171 N ASP A 152 19.686 -8.935 -17.262 1.00 0.00 N ATOM 172 CA ASP A 152 20.418 -10.178 -17.062 1.00 0.00 C ATOM 173 C ASP A 152 21.654 -10.213 -17.962 1.00 0.00 C ATOM 174 O ASP A 152 22.700 -10.703 -17.547 1.00 0.00 O ATOM 175 CB ASP A 152 19.502 -11.376 -17.338 1.00 0.00 C ATOM 176 CG ASP A 152 18.318 -11.404 -16.371 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.473 -10.850 -15.260 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.282 -11.981 -16.762 1.00 0.00 O ATOM 0 H ASP A 152 18.719 -9.060 -17.562 1.00 0.00 H new ATOM 0 HA ASP A 152 20.752 -10.234 -16.026 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.136 -11.328 -18.363 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.071 -12.301 -17.246 1.00 0.00 H new ATOM 183 N ARG A 153 21.544 -9.687 -19.193 1.00 0.00 N ATOM 184 CA ARG A 153 22.677 -9.653 -20.110 1.00 0.00 C ATOM 185 C ARG A 153 23.745 -8.692 -19.584 1.00 0.00 C ATOM 186 O ARG A 153 24.934 -8.976 -19.708 1.00 0.00 O ATOM 187 CB ARG A 153 22.221 -9.240 -21.520 1.00 0.00 C ATOM 188 CG ARG A 153 21.356 -10.338 -22.167 1.00 0.00 C ATOM 189 CD ARG A 153 22.122 -11.666 -22.237 1.00 0.00 C ATOM 190 NE ARG A 153 21.824 -12.505 -21.065 1.00 0.00 N ATOM 191 CZ ARG A 153 22.586 -13.547 -20.690 1.00 0.00 C ATOM 192 NH1 ARG A 153 23.611 -13.943 -21.458 1.00 0.00 N ATOM 193 NH2 ARG A 153 22.320 -14.190 -19.545 1.00 0.00 N ATOM 0 H ARG A 153 20.685 -9.284 -19.567 1.00 0.00 H new ATOM 0 HA ARG A 153 23.107 -10.653 -20.174 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.653 -8.311 -21.464 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.093 -9.044 -22.145 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.440 -10.472 -21.592 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.060 -10.030 -23.170 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.852 -12.199 -23.149 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.193 -11.471 -22.287 1.00 0.00 H new ATOM 0 HE ARG A 153 20.998 -12.285 -20.509 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.814 -13.453 -22.329 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.188 -14.734 -21.171 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.541 -13.889 -18.960 1.00 0.00 H new ATOM 0 HH22 ARG A 153 22.897 -14.981 -19.258 1.00 0.00 H new ATOM 207 N ILE A 154 23.332 -7.560 -18.992 1.00 0.00 N ATOM 208 CA ILE A 154 24.284 -6.599 -18.438 1.00 0.00 C ATOM 209 C ILE A 154 25.096 -7.277 -17.337 1.00 0.00 C ATOM 210 O ILE A 154 26.325 -7.204 -17.333 1.00 0.00 O ATOM 211 CB ILE A 154 23.545 -5.366 -17.877 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.709 -4.675 -18.974 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.566 -4.373 -17.303 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.542 -4.428 -20.238 1.00 0.00 C ATOM 0 H ILE A 154 22.353 -7.294 -18.888 1.00 0.00 H new ATOM 0 HA ILE A 154 24.954 -6.260 -19.228 1.00 0.00 H new ATOM 0 HB ILE A 154 22.869 -5.698 -17.089 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.846 -5.294 -19.220 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.325 -3.727 -18.598 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.044 -3.502 -16.907 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.130 -4.853 -16.503 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.250 -4.058 -18.091 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.924 -3.940 -20.992 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.391 -3.789 -19.995 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.904 -5.380 -20.627 1.00 0.00 H new ATOM 226 N ILE A 155 24.402 -7.939 -16.403 1.00 0.00 N ATOM 227 CA ILE A 155 25.056 -8.621 -15.298 1.00 0.00 C ATOM 228 C ILE A 155 25.932 -9.752 -15.834 1.00 0.00 C ATOM 229 O ILE A 155 27.043 -9.934 -15.368 1.00 0.00 O ATOM 230 CB ILE A 155 24.000 -9.160 -14.317 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.204 -7.989 -13.720 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.695 -9.930 -13.181 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.872 -8.492 -13.164 1.00 0.00 C ATOM 0 H ILE A 155 23.385 -8.012 -16.398 1.00 0.00 H new ATOM 0 HA ILE A 155 25.693 -7.917 -14.762 1.00 0.00 H new ATOM 0 HB ILE A 155 23.324 -9.827 -14.851 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.781 -7.512 -12.928 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.026 -7.232 -14.484 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.945 -10.311 -12.488 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.259 -10.764 -13.599 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.374 -9.262 -12.651 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.314 -7.655 -12.743 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.292 -8.948 -13.966 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.059 -9.232 -12.386 1.00 0.00 H new ATOM 245 N TYR A 156 25.429 -10.511 -16.814 1.00 0.00 N ATOM 246 CA TYR A 156 26.173 -11.625 -17.392 1.00 0.00 C ATOM 247 C TYR A 156 27.489 -11.136 -17.996 1.00 0.00 C ATOM 248 O TYR A 156 28.545 -11.700 -17.717 1.00 0.00 O ATOM 249 CB TYR A 156 25.306 -12.312 -18.450 1.00 0.00 C ATOM 250 CG TYR A 156 25.935 -13.563 -19.024 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.782 -14.793 -18.359 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.669 -13.498 -20.222 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.363 -15.956 -18.892 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.249 -14.662 -20.753 1.00 0.00 C ATOM 255 CZ TYR A 156 27.096 -15.891 -20.089 1.00 0.00 C ATOM 256 OH TYR A 156 27.662 -17.018 -20.608 1.00 0.00 O ATOM 0 H TYR A 156 24.505 -10.369 -17.222 1.00 0.00 H new ATOM 0 HA TYR A 156 26.417 -12.344 -16.610 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.343 -12.568 -18.009 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.109 -11.609 -19.260 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.218 -14.843 -17.439 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.787 -12.554 -20.733 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.246 -16.900 -18.381 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.813 -14.612 -21.673 1.00 0.00 H new ATOM 0 HH TYR A 156 27.922 -16.855 -21.539 1.00 0.00 H new ATOM 266 N GLN A 157 27.422 -10.092 -18.825 1.00 0.00 N ATOM 267 CA GLN A 157 28.599 -9.543 -19.480 1.00 0.00 C ATOM 268 C GLN A 157 29.590 -9.018 -18.439 1.00 0.00 C ATOM 269 O GLN A 157 30.759 -9.402 -18.445 1.00 0.00 O ATOM 270 CB GLN A 157 28.153 -8.422 -20.431 1.00 0.00 C ATOM 271 CG GLN A 157 29.362 -7.818 -21.164 1.00 0.00 C ATOM 272 CD GLN A 157 30.092 -8.863 -22.006 1.00 0.00 C ATOM 273 OE1 GLN A 157 31.306 -9.020 -21.886 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.355 -9.572 -22.861 1.00 0.00 N ATOM 0 H GLN A 157 26.554 -9.610 -19.057 1.00 0.00 H new ATOM 0 HA GLN A 157 29.104 -10.321 -20.052 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.441 -8.816 -21.156 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.637 -7.644 -19.868 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.028 -7.002 -21.805 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.052 -7.390 -20.437 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.350 -9.408 -22.927 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.796 -10.279 -23.450 1.00 0.00 H new ATOM 283 N ALA A 158 29.121 -8.133 -17.555 1.00 0.00 N ATOM 284 CA ALA A 158 29.969 -7.522 -16.542 1.00 0.00 C ATOM 285 C ALA A 158 30.560 -8.580 -15.604 1.00 0.00 C ATOM 286 O ALA A 158 31.728 -8.495 -15.241 1.00 0.00 O ATOM 287 CB ALA A 158 29.147 -6.500 -15.755 1.00 0.00 C ATOM 0 H ALA A 158 28.149 -7.825 -17.525 1.00 0.00 H new ATOM 0 HA ALA A 158 30.803 -7.020 -17.031 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.775 -6.037 -14.993 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.774 -5.733 -16.434 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.306 -7.001 -15.276 1.00 0.00 H new ATOM 293 N HIS A 159 29.754 -9.570 -15.209 1.00 0.00 N ATOM 294 CA HIS A 159 30.200 -10.615 -14.299 1.00 0.00 C ATOM 295 C HIS A 159 31.242 -11.501 -14.973 1.00 0.00 C ATOM 296 O HIS A 159 32.249 -11.839 -14.365 1.00 0.00 O ATOM 297 CB HIS A 159 29.002 -11.451 -13.841 1.00 0.00 C ATOM 298 CG HIS A 159 29.400 -12.538 -12.878 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.903 -13.763 -13.296 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.390 -12.609 -11.511 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.160 -14.477 -12.182 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.869 -13.828 -11.056 1.00 0.00 N ATOM 0 H HIS A 159 28.784 -9.665 -15.511 1.00 0.00 H new ATOM 0 HA HIS A 159 30.660 -10.150 -13.427 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.267 -10.800 -13.368 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.519 -11.897 -14.710 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.050 -11.813 -10.866 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.563 -15.479 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.973 -14.149 -10.094 1.00 0.00 H new ATOM 310 N LYS A 160 31.004 -11.885 -16.227 1.00 0.00 N ATOM 311 CA LYS A 160 31.937 -12.735 -16.948 1.00 0.00 C ATOM 312 C LYS A 160 33.264 -12.000 -17.156 1.00 0.00 C ATOM 313 O LYS A 160 34.321 -12.627 -17.166 1.00 0.00 O ATOM 314 CB LYS A 160 31.317 -13.151 -18.288 1.00 0.00 C ATOM 315 CG LYS A 160 32.321 -13.995 -19.084 1.00 0.00 C ATOM 316 CD LYS A 160 31.592 -14.814 -20.157 1.00 0.00 C ATOM 317 CE LYS A 160 31.028 -16.099 -19.538 1.00 0.00 C ATOM 318 NZ LYS A 160 30.416 -16.960 -20.565 1.00 0.00 N ATOM 0 H LYS A 160 30.175 -11.620 -16.759 1.00 0.00 H new ATOM 0 HA LYS A 160 32.140 -13.634 -16.366 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.404 -13.721 -18.116 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.037 -12.266 -18.860 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.062 -13.347 -19.552 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.861 -14.662 -18.411 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.785 -14.224 -20.591 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.278 -15.061 -20.967 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.826 -16.643 -19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.285 -15.846 -18.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.382 -16.956 -20.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.661 -16.601 -21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.772 -17.932 -20.461 1.00 0.00 H new ATOM 332 N ARG A 161 33.204 -10.675 -17.325 1.00 0.00 N ATOM 333 CA ARG A 161 34.393 -9.870 -17.549 1.00 0.00 C ATOM 334 C ARG A 161 35.162 -9.656 -16.239 1.00 0.00 C ATOM 335 O ARG A 161 36.372 -9.866 -16.193 1.00 0.00 O ATOM 336 CB ARG A 161 33.974 -8.523 -18.156 1.00 0.00 C ATOM 337 CG ARG A 161 35.168 -7.864 -18.862 1.00 0.00 C ATOM 338 CD ARG A 161 35.341 -8.450 -20.270 1.00 0.00 C ATOM 339 NE ARG A 161 34.170 -8.166 -21.115 1.00 0.00 N ATOM 340 CZ ARG A 161 33.978 -6.994 -21.748 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.861 -5.994 -21.610 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.898 -6.828 -22.518 1.00 0.00 N ATOM 0 H ARG A 161 32.335 -10.141 -17.309 1.00 0.00 H new ATOM 0 HA ARG A 161 35.057 -10.391 -18.239 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.160 -8.673 -18.866 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.597 -7.865 -17.373 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.013 -6.787 -18.925 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.076 -8.022 -18.280 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.236 -8.033 -20.732 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.490 -9.528 -20.202 1.00 0.00 H new ATOM 0 HE ARG A 161 33.467 -8.896 -21.227 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.685 -6.119 -21.022 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.708 -5.109 -22.093 1.00 0.00 H new ATOM 0 HH21 ARG A 161 32.225 -7.587 -22.623 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.747 -5.942 -23.000 1.00 0.00 H new ATOM 356 N LEU A 162 34.459 -9.224 -15.182 1.00 0.00 N ATOM 357 CA LEU A 162 35.083 -8.922 -13.897 1.00 0.00 C ATOM 358 C LEU A 162 35.044 -10.140 -12.972 1.00 0.00 C ATOM 359 O LEU A 162 36.088 -10.682 -12.614 1.00 0.00 O ATOM 360 CB LEU A 162 34.351 -7.737 -13.243 1.00 0.00 C ATOM 361 CG LEU A 162 34.479 -6.475 -14.112 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.377 -5.486 -13.727 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.848 -5.822 -13.891 1.00 0.00 C ATOM 0 H LEU A 162 33.450 -9.077 -15.198 1.00 0.00 H new ATOM 0 HA LEU A 162 36.128 -8.660 -14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.299 -7.984 -13.105 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.767 -7.547 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 162 34.381 -6.750 -15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.463 -4.589 -14.340 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.402 -5.946 -13.891 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.480 -5.218 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.929 -4.929 -14.511 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.955 -5.547 -12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.635 -6.525 -14.163 1.00 0.00 H new ATOM 375 N GLY A 163 33.835 -10.553 -12.577 1.00 0.00 N ATOM 376 CA GLY A 163 33.640 -11.665 -11.659 1.00 0.00 C ATOM 377 C GLY A 163 32.507 -11.320 -10.700 1.00 0.00 C ATOM 378 O GLY A 163 31.556 -10.646 -11.088 1.00 0.00 O ATOM 0 H GLY A 163 32.966 -10.120 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.402 -12.573 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.557 -11.861 -11.104 1.00 0.00 H new ATOM 382 N ASN A 164 32.610 -11.766 -9.441 1.00 0.00 N ATOM 383 CA ASN A 164 31.590 -11.482 -8.432 1.00 0.00 C ATOM 384 C ASN A 164 31.786 -10.070 -7.866 1.00 0.00 C ATOM 385 O ASN A 164 31.580 -9.844 -6.673 1.00 0.00 O ATOM 386 CB ASN A 164 31.673 -12.525 -7.310 1.00 0.00 C ATOM 387 CG ASN A 164 31.529 -13.943 -7.857 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.419 -14.420 -8.066 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.658 -14.617 -8.085 1.00 0.00 N ATOM 0 H ASN A 164 33.392 -12.325 -9.100 1.00 0.00 H new ATOM 0 HA ASN A 164 30.603 -11.534 -8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.627 -12.429 -6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.890 -12.335 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.619 -15.569 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.560 -14.180 -7.896 1.00 0.00 H new ATOM 396 N ARG A 165 32.184 -9.117 -8.721 1.00 0.00 N ATOM 397 CA ARG A 165 32.408 -7.744 -8.305 1.00 0.00 C ATOM 398 C ARG A 165 31.086 -6.986 -8.300 1.00 0.00 C ATOM 399 O ARG A 165 30.919 -6.043 -9.065 1.00 0.00 O ATOM 400 CB ARG A 165 33.384 -7.062 -9.276 1.00 0.00 C ATOM 401 CG ARG A 165 34.830 -7.457 -8.982 1.00 0.00 C ATOM 402 CD ARG A 165 35.742 -6.346 -9.508 1.00 0.00 C ATOM 403 NE ARG A 165 37.157 -6.712 -9.421 1.00 0.00 N ATOM 404 CZ ARG A 165 38.142 -5.893 -9.833 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.846 -4.688 -10.344 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.420 -6.283 -9.733 1.00 0.00 N ATOM 0 H ARG A 165 32.356 -9.285 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 165 32.832 -7.739 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.131 -7.336 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.278 -5.980 -9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.977 -7.595 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.070 -8.406 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.487 -6.128 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.568 -5.433 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 165 37.406 -7.622 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.873 -4.392 -10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.594 -4.069 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.645 -7.199 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.168 -5.664 -10.045 1.00 0.00 H new ATOM 420 N TRP A 166 30.141 -7.380 -7.445 1.00 0.00 N ATOM 421 CA TRP A 166 28.859 -6.688 -7.379 1.00 0.00 C ATOM 422 C TRP A 166 29.088 -5.247 -6.937 1.00 0.00 C ATOM 423 O TRP A 166 28.355 -4.360 -7.333 1.00 0.00 O ATOM 424 CB TRP A 166 27.903 -7.399 -6.429 1.00 0.00 C ATOM 425 CG TRP A 166 28.094 -8.872 -6.343 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.651 -9.501 -5.314 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.755 -9.915 -7.304 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.701 -10.856 -5.526 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.153 -11.175 -6.754 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.156 -9.937 -8.584 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.967 -12.380 -7.430 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.963 -11.156 -9.271 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.370 -12.373 -8.694 1.00 0.00 C ATOM 0 H TRP A 166 30.239 -8.163 -6.799 1.00 0.00 H new ATOM 0 HA TRP A 166 28.401 -6.693 -8.368 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.018 -6.972 -5.433 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.880 -7.197 -6.746 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.017 -9.009 -4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.089 -11.533 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.842 -9.011 -9.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.281 -13.311 -6.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.500 -11.154 -10.247 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.221 -13.301 -9.227 1.00 0.00 H new ATOM 444 N ALA A 167 30.124 -5.014 -6.121 1.00 0.00 N ATOM 445 CA ALA A 167 30.464 -3.672 -5.671 1.00 0.00 C ATOM 446 C ALA A 167 30.781 -2.774 -6.877 1.00 0.00 C ATOM 447 O ALA A 167 30.763 -1.549 -6.755 1.00 0.00 O ATOM 448 CB ALA A 167 31.664 -3.747 -4.727 1.00 0.00 C ATOM 0 H ALA A 167 30.739 -5.745 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 167 29.617 -3.240 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.923 -2.744 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.412 -4.368 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.514 -4.182 -5.253 1.00 0.00 H new ATOM 454 N GLU A 168 31.069 -3.392 -8.037 1.00 0.00 N ATOM 455 CA GLU A 168 31.376 -2.675 -9.265 1.00 0.00 C ATOM 456 C GLU A 168 30.166 -2.739 -10.210 1.00 0.00 C ATOM 457 O GLU A 168 29.709 -1.713 -10.701 1.00 0.00 O ATOM 458 CB GLU A 168 32.619 -3.311 -9.903 1.00 0.00 C ATOM 459 CG GLU A 168 33.315 -2.308 -10.826 1.00 0.00 C ATOM 460 CD GLU A 168 34.589 -2.907 -11.417 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.386 -3.460 -10.622 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.746 -2.802 -12.651 1.00 0.00 O ATOM 0 H GLU A 168 31.093 -4.407 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 168 31.585 -1.625 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.308 -3.638 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.332 -4.198 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.638 -2.016 -11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.558 -1.403 -10.269 1.00 0.00 H new ATOM 469 N ILE A 169 29.649 -3.954 -10.454 1.00 0.00 N ATOM 470 CA ILE A 169 28.497 -4.161 -11.332 1.00 0.00 C ATOM 471 C ILE A 169 27.305 -3.334 -10.840 1.00 0.00 C ATOM 472 O ILE A 169 26.654 -2.650 -11.625 1.00 0.00 O ATOM 473 CB ILE A 169 28.125 -5.658 -11.352 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.295 -6.501 -11.886 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.899 -5.872 -12.249 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.237 -7.909 -11.283 1.00 0.00 C ATOM 0 H ILE A 169 30.019 -4.814 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 169 28.755 -3.840 -12.341 1.00 0.00 H new ATOM 0 HB ILE A 169 27.900 -5.972 -10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.247 -6.559 -12.973 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.243 -6.026 -11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.638 -6.930 -12.262 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.059 -5.296 -11.861 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.128 -5.542 -13.263 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.068 -8.503 -11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.306 -7.843 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.295 -8.384 -11.558 1.00 0.00 H new ATOM 488 N ALA A 170 27.022 -3.414 -9.535 1.00 0.00 N ATOM 489 CA ALA A 170 25.898 -2.715 -8.926 1.00 0.00 C ATOM 490 C ALA A 170 25.974 -1.206 -9.193 1.00 0.00 C ATOM 491 O ALA A 170 24.943 -0.542 -9.243 1.00 0.00 O ATOM 492 CB ALA A 170 25.882 -3.007 -7.418 1.00 0.00 C ATOM 0 H ALA A 170 27.570 -3.967 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 170 24.970 -3.074 -9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.043 -2.487 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.777 -4.080 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.814 -2.662 -6.971 1.00 0.00 H new ATOM 498 N LYS A 171 27.186 -0.660 -9.369 1.00 0.00 N ATOM 499 CA LYS A 171 27.352 0.768 -9.632 1.00 0.00 C ATOM 500 C LYS A 171 26.798 1.106 -11.017 1.00 0.00 C ATOM 501 O LYS A 171 26.287 2.203 -11.229 1.00 0.00 O ATOM 502 CB LYS A 171 28.835 1.156 -9.537 1.00 0.00 C ATOM 503 CG LYS A 171 29.398 0.803 -8.154 1.00 0.00 C ATOM 504 CD LYS A 171 29.045 1.904 -7.146 1.00 0.00 C ATOM 505 CE LYS A 171 29.330 1.418 -5.720 1.00 0.00 C ATOM 506 NZ LYS A 171 30.724 0.958 -5.578 1.00 0.00 N ATOM 0 H LYS A 171 28.059 -1.187 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 171 26.800 1.336 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.402 0.637 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.949 2.224 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.991 -0.151 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.480 0.685 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.626 2.802 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.994 2.175 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.138 2.225 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 171 28.649 0.605 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.039 1.102 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.782 -0.053 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.336 1.500 -6.221 1.00 0.00 H new ATOM 520 N LEU A 172 26.899 0.157 -11.959 1.00 0.00 N ATOM 521 CA LEU A 172 26.399 0.352 -13.314 1.00 0.00 C ATOM 522 C LEU A 172 24.869 0.321 -13.311 1.00 0.00 C ATOM 523 O LEU A 172 24.240 0.850 -14.226 1.00 0.00 O ATOM 524 CB LEU A 172 26.952 -0.744 -14.239 1.00 0.00 C ATOM 525 CG LEU A 172 28.484 -0.833 -14.134 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.988 -1.947 -15.055 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.122 0.496 -14.551 1.00 0.00 C ATOM 0 H LEU A 172 27.326 -0.755 -11.799 1.00 0.00 H new ATOM 0 HA LEU A 172 26.731 1.322 -13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.509 -1.705 -13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.666 -0.533 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 172 28.758 -1.050 -13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.074 -2.014 -14.984 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.545 -2.896 -14.754 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.705 -1.725 -16.084 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.206 0.420 -14.472 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.848 0.724 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.766 1.292 -13.897 1.00 0.00 H new ATOM 539 N LEU A 173 24.275 -0.303 -12.278 1.00 0.00 N ATOM 540 CA LEU A 173 22.828 -0.407 -12.145 1.00 0.00 C ATOM 541 C LEU A 173 22.397 0.193 -10.799 1.00 0.00 C ATOM 542 O LEU A 173 22.142 -0.550 -9.854 1.00 0.00 O ATOM 543 CB LEU A 173 22.420 -1.888 -12.227 1.00 0.00 C ATOM 544 CG LEU A 173 22.763 -2.475 -13.608 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.590 -3.996 -13.566 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.832 -1.892 -14.678 1.00 0.00 C ATOM 0 H LEU A 173 24.792 -0.746 -11.518 1.00 0.00 H new ATOM 0 HA LEU A 173 22.337 0.142 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.932 -2.454 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.350 -1.986 -12.041 1.00 0.00 H new ATOM 0 HG LEU A 173 23.794 -2.222 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.832 -4.417 -14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.257 -4.417 -12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.558 -4.238 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.085 -2.315 -15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.798 -2.137 -14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.950 -0.809 -14.712 1.00 0.00 H new ATOM 558 N PRO A 174 22.315 1.541 -10.705 1.00 0.00 N ATOM 559 CA PRO A 174 21.939 2.223 -9.477 1.00 0.00 C ATOM 560 C PRO A 174 20.570 1.757 -8.971 1.00 0.00 C ATOM 561 O PRO A 174 20.339 1.719 -7.765 1.00 0.00 O ATOM 562 CB PRO A 174 21.928 3.718 -9.812 1.00 0.00 C ATOM 563 CG PRO A 174 22.364 3.853 -11.276 1.00 0.00 C ATOM 564 CD PRO A 174 22.597 2.439 -11.807 1.00 0.00 C ATOM 0 HA PRO A 174 22.642 2.001 -8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.933 4.139 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.605 4.265 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.598 4.363 -11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.274 4.449 -11.354 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.946 2.230 -12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.623 2.318 -12.155 1.00 0.00 H new ATOM 572 N GLY A 175 19.665 1.402 -9.893 1.00 0.00 N ATOM 573 CA GLY A 175 18.333 0.933 -9.532 1.00 0.00 C ATOM 574 C GLY A 175 18.411 -0.400 -8.779 1.00 0.00 C ATOM 575 O GLY A 175 17.476 -0.764 -8.068 1.00 0.00 O ATOM 0 H GLY A 175 19.839 1.433 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.836 1.678 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.729 0.813 -10.431 1.00 0.00 H new ATOM 579 N ARG A 176 19.527 -1.124 -8.944 1.00 0.00 N ATOM 580 CA ARG A 176 19.738 -2.409 -8.295 1.00 0.00 C ATOM 581 C ARG A 176 20.742 -2.243 -7.152 1.00 0.00 C ATOM 582 O ARG A 176 21.243 -1.143 -6.921 1.00 0.00 O ATOM 583 CB ARG A 176 20.255 -3.416 -9.333 1.00 0.00 C ATOM 584 CG ARG A 176 19.309 -3.475 -10.544 1.00 0.00 C ATOM 585 CD ARG A 176 17.940 -4.011 -10.117 1.00 0.00 C ATOM 586 NE ARG A 176 17.143 -4.399 -11.288 1.00 0.00 N ATOM 587 CZ ARG A 176 16.057 -5.186 -11.210 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.640 -5.650 -10.026 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.388 -5.511 -12.318 1.00 0.00 N ATOM 0 H ARG A 176 20.305 -0.828 -9.534 1.00 0.00 H new ATOM 0 HA ARG A 176 18.801 -2.780 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.255 -3.130 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.338 -4.404 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.200 -2.481 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.734 -4.116 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.070 -4.870 -9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.409 -3.250 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 176 17.428 -4.054 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.148 -5.407 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.815 -6.247 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.701 -5.162 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.563 -6.109 -12.259 1.00 0.00 H new ATOM 603 N THR A 177 21.034 -3.338 -6.436 1.00 0.00 N ATOM 604 CA THR A 177 21.968 -3.309 -5.316 1.00 0.00 C ATOM 605 C THR A 177 22.849 -4.554 -5.338 1.00 0.00 C ATOM 606 O THR A 177 22.507 -5.553 -5.975 1.00 0.00 O ATOM 607 CB THR A 177 21.192 -3.236 -3.992 1.00 0.00 C ATOM 608 OG1 THR A 177 20.356 -4.369 -3.870 1.00 0.00 O ATOM 609 CG2 THR A 177 20.338 -1.966 -3.946 1.00 0.00 C ATOM 0 H THR A 177 20.631 -4.257 -6.619 1.00 0.00 H new ATOM 0 HA THR A 177 22.603 -2.427 -5.405 1.00 0.00 H new ATOM 0 HB THR A 177 21.905 -3.214 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.863 -4.322 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.794 -1.928 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.983 -1.091 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.629 -1.974 -4.774 1.00 0.00 H new ATOM 617 N ASP A 178 23.983 -4.490 -4.628 1.00 0.00 N ATOM 618 CA ASP A 178 24.910 -5.608 -4.526 1.00 0.00 C ATOM 619 C ASP A 178 24.170 -6.849 -4.023 1.00 0.00 C ATOM 620 O ASP A 178 24.363 -7.941 -4.549 1.00 0.00 O ATOM 621 CB ASP A 178 26.060 -5.222 -3.574 1.00 0.00 C ATOM 622 CG ASP A 178 26.454 -6.383 -2.665 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.850 -6.480 -1.573 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.342 -7.161 -3.074 1.00 0.00 O ATOM 0 H ASP A 178 24.277 -3.661 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 178 25.329 -5.839 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.925 -4.907 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.758 -4.370 -2.965 1.00 0.00 H new ATOM 629 N ASN A 179 23.327 -6.675 -3.001 1.00 0.00 N ATOM 630 CA ASN A 179 22.575 -7.777 -2.419 1.00 0.00 C ATOM 631 C ASN A 179 21.600 -8.353 -3.442 1.00 0.00 C ATOM 632 O ASN A 179 21.559 -9.563 -3.636 1.00 0.00 O ATOM 633 CB ASN A 179 21.826 -7.284 -1.174 1.00 0.00 C ATOM 634 CG ASN A 179 22.592 -7.625 0.103 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.035 -8.223 1.018 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.871 -7.246 0.166 1.00 0.00 N ATOM 0 H ASN A 179 23.151 -5.772 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 179 23.265 -8.569 -2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.681 -6.206 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.835 -7.737 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.424 -7.452 0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.295 -6.750 -0.618 1.00 0.00 H new ATOM 643 N ALA A 180 20.811 -7.488 -4.091 1.00 0.00 N ATOM 644 CA ALA A 180 19.822 -7.928 -5.066 1.00 0.00 C ATOM 645 C ALA A 180 20.481 -8.751 -6.175 1.00 0.00 C ATOM 646 O ALA A 180 20.039 -9.862 -6.465 1.00 0.00 O ATOM 647 CB ALA A 180 19.110 -6.710 -5.654 1.00 0.00 C ATOM 0 H ALA A 180 20.843 -6.478 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 180 19.092 -8.565 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.370 -7.038 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.613 -6.159 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.839 -6.063 -6.142 1.00 0.00 H new ATOM 653 N ILE A 181 21.530 -8.203 -6.800 1.00 0.00 N ATOM 654 CA ILE A 181 22.214 -8.876 -7.899 1.00 0.00 C ATOM 655 C ILE A 181 22.869 -10.168 -7.407 1.00 0.00 C ATOM 656 O ILE A 181 22.682 -11.221 -8.008 1.00 0.00 O ATOM 657 CB ILE A 181 23.266 -7.937 -8.512 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.586 -6.680 -9.078 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.993 -8.669 -9.646 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.608 -5.549 -9.210 1.00 0.00 C ATOM 0 H ILE A 181 21.921 -7.292 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 181 21.484 -9.134 -8.666 1.00 0.00 H new ATOM 0 HB ILE A 181 23.976 -7.642 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.147 -6.900 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.771 -6.371 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.741 -8.008 -10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.483 -9.559 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.273 -8.961 -10.411 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.119 -4.662 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.026 -5.320 -8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.408 -5.858 -9.883 1.00 0.00 H new ATOM 672 N LYS A 182 23.642 -10.080 -6.319 1.00 0.00 N ATOM 673 CA LYS A 182 24.347 -11.228 -5.762 1.00 0.00 C ATOM 674 C LYS A 182 23.376 -12.378 -5.493 1.00 0.00 C ATOM 675 O LYS A 182 23.621 -13.507 -5.917 1.00 0.00 O ATOM 676 CB LYS A 182 25.046 -10.794 -4.470 1.00 0.00 C ATOM 677 CG LYS A 182 25.762 -11.983 -3.822 1.00 0.00 C ATOM 678 CD LYS A 182 26.729 -11.491 -2.732 1.00 0.00 C ATOM 679 CE LYS A 182 25.980 -10.673 -1.669 1.00 0.00 C ATOM 680 NZ LYS A 182 25.925 -9.241 -2.030 1.00 0.00 N ATOM 0 H LYS A 182 23.793 -9.212 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 182 25.089 -11.585 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.764 -10.003 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.315 -10.380 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.031 -12.665 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.311 -12.543 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.220 -12.344 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.512 -10.881 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.967 -11.060 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.474 -10.788 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 25.782 -8.672 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.818 -8.963 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.136 -9.079 -2.688 1.00 0.00 H new ATOM 694 N ASN A 183 22.282 -12.090 -4.780 1.00 0.00 N ATOM 695 CA ASN A 183 21.294 -13.100 -4.426 1.00 0.00 C ATOM 696 C ASN A 183 20.647 -13.675 -5.685 1.00 0.00 C ATOM 697 O ASN A 183 20.563 -14.892 -5.835 1.00 0.00 O ATOM 698 CB ASN A 183 20.233 -12.479 -3.509 1.00 0.00 C ATOM 699 CG ASN A 183 20.832 -12.043 -2.171 1.00 0.00 C ATOM 700 OD1 ASN A 183 22.007 -12.284 -1.898 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.019 -11.399 -1.334 1.00 0.00 N ATOM 0 H ASN A 183 22.062 -11.155 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 183 21.787 -13.915 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.782 -11.619 -4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.435 -13.201 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.365 -11.085 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.051 -11.220 -1.600 1.00 0.00 H new ATOM 708 N HIS A 184 20.186 -12.797 -6.586 1.00 0.00 N ATOM 709 CA HIS A 184 19.539 -13.219 -7.822 1.00 0.00 C ATOM 710 C HIS A 184 20.449 -14.165 -8.603 1.00 0.00 C ATOM 711 O HIS A 184 20.011 -15.234 -9.032 1.00 0.00 O ATOM 712 CB HIS A 184 19.202 -11.983 -8.659 1.00 0.00 C ATOM 713 CG HIS A 184 18.874 -12.319 -10.092 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.912 -13.259 -10.447 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.370 -11.856 -11.284 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.891 -13.301 -11.795 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.759 -12.468 -12.366 1.00 0.00 N ATOM 0 H HIS A 184 20.253 -11.785 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 184 18.620 -13.755 -7.586 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.355 -11.465 -8.209 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.046 -11.293 -8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.142 -11.106 -11.369 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.234 -13.948 -12.357 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.932 -12.317 -13.360 1.00 0.00 H new ATOM 725 N TRP A 185 21.711 -13.768 -8.790 1.00 0.00 N ATOM 726 CA TRP A 185 22.668 -14.566 -9.530 1.00 0.00 C ATOM 727 C TRP A 185 22.884 -15.905 -8.831 1.00 0.00 C ATOM 728 O TRP A 185 22.732 -16.950 -9.451 1.00 0.00 O ATOM 729 CB TRP A 185 23.987 -13.800 -9.658 1.00 0.00 C ATOM 730 CG TRP A 185 25.026 -14.493 -10.485 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.828 -15.481 -10.062 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.390 -14.275 -11.878 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.667 -15.903 -11.063 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.440 -15.187 -12.221 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.945 -13.405 -12.895 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.011 -15.228 -13.495 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.519 -13.443 -14.182 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.550 -14.352 -14.481 1.00 0.00 C ATOM 0 H TRP A 185 22.087 -12.890 -8.432 1.00 0.00 H new ATOM 0 HA TRP A 185 22.281 -14.762 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.785 -12.822 -10.095 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.390 -13.626 -8.661 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.815 -15.891 -9.063 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.362 -16.643 -10.965 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.154 -12.700 -12.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.801 -15.930 -13.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.164 -12.767 -14.946 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.984 -14.373 -15.470 1.00 0.00 H new ATOM 749 N ASN A 186 23.237 -15.876 -7.540 1.00 0.00 N ATOM 750 CA ASN A 186 23.490 -17.097 -6.779 1.00 0.00 C ATOM 751 C ASN A 186 22.169 -17.738 -6.350 1.00 0.00 C ATOM 752 O ASN A 186 21.956 -18.002 -5.167 1.00 0.00 O ATOM 753 CB ASN A 186 24.366 -16.772 -5.565 1.00 0.00 C ATOM 754 CG ASN A 186 25.779 -16.406 -6.001 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.647 -17.272 -6.081 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.010 -15.125 -6.286 1.00 0.00 N ATOM 0 H ASN A 186 23.353 -15.016 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 186 24.019 -17.813 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.928 -15.946 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.398 -17.630 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.939 -14.829 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.258 -14.441 -6.205 1.00 0.00 H new ATOM 763 N SER A 187 21.290 -17.991 -7.323 1.00 0.00 N ATOM 764 CA SER A 187 19.996 -18.602 -7.078 1.00 0.00 C ATOM 765 C SER A 187 19.355 -18.954 -8.418 1.00 0.00 C ATOM 766 O SER A 187 18.938 -20.090 -8.631 1.00 0.00 O ATOM 767 CB SER A 187 19.105 -17.632 -6.290 1.00 0.00 C ATOM 768 OG SER A 187 17.848 -18.229 -6.056 1.00 0.00 O ATOM 0 H SER A 187 21.464 -17.774 -8.304 1.00 0.00 H new ATOM 0 HA SER A 187 20.117 -19.511 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.579 -17.375 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.980 -16.703 -6.847 1.00 0.00 H new ATOM 0 HG SER A 187 17.280 -17.609 -5.552 1.00 0.00 H new ATOM 774 N THR A 188 19.282 -17.964 -9.318 1.00 0.00 N ATOM 775 CA THR A 188 18.682 -18.142 -10.631 1.00 0.00 C ATOM 776 C THR A 188 19.760 -18.494 -11.657 1.00 0.00 C ATOM 777 O THR A 188 19.653 -19.503 -12.349 1.00 0.00 O ATOM 778 CB THR A 188 17.957 -16.848 -11.036 1.00 0.00 C ATOM 779 OG1 THR A 188 17.319 -16.283 -9.909 1.00 0.00 O ATOM 780 CG2 THR A 188 16.911 -17.157 -12.108 1.00 0.00 C ATOM 0 H THR A 188 19.638 -17.023 -9.149 1.00 0.00 H new ATOM 0 HA THR A 188 17.962 -18.960 -10.596 1.00 0.00 H new ATOM 0 HB THR A 188 18.686 -16.141 -11.431 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.406 -15.307 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.399 -16.238 -12.393 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.401 -17.585 -12.982 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.186 -17.869 -11.714 1.00 0.00 H new ATOM 788 N MET A 189 20.795 -17.645 -11.754 1.00 0.00 N ATOM 789 CA MET A 189 21.880 -17.829 -12.711 1.00 0.00 C ATOM 790 C MET A 189 23.159 -18.206 -11.967 1.00 0.00 C ATOM 791 O MET A 189 24.195 -17.566 -12.142 1.00 0.00 O ATOM 792 CB MET A 189 22.078 -16.522 -13.489 1.00 0.00 C ATOM 793 CG MET A 189 20.849 -16.225 -14.359 1.00 0.00 C ATOM 794 SD MET A 189 20.675 -14.477 -14.805 1.00 0.00 S ATOM 795 CE MET A 189 22.377 -14.137 -15.313 1.00 0.00 C ATOM 0 H MET A 189 20.897 -16.815 -11.169 1.00 0.00 H new ATOM 0 HA MET A 189 21.636 -18.630 -13.408 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.246 -15.700 -12.794 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.966 -16.596 -14.116 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.909 -16.819 -15.271 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.953 -16.546 -13.828 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.467 -13.091 -15.608 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.052 -14.339 -14.481 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.639 -14.775 -16.157 1.00 0.00 H new ATOM 805 N ARG A 190 23.081 -19.242 -11.127 1.00 0.00 N ATOM 806 CA ARG A 190 24.221 -19.673 -10.335 1.00 0.00 C ATOM 807 C ARG A 190 25.229 -20.405 -11.221 1.00 0.00 C ATOM 808 O ARG A 190 24.902 -20.801 -12.339 1.00 0.00 O ATOM 809 CB ARG A 190 23.725 -20.566 -9.190 1.00 0.00 C ATOM 810 CG ARG A 190 24.775 -20.617 -8.071 1.00 0.00 C ATOM 811 CD ARG A 190 24.098 -20.938 -6.737 1.00 0.00 C ATOM 812 NE ARG A 190 25.002 -20.654 -5.615 1.00 0.00 N ATOM 813 CZ ARG A 190 24.585 -20.547 -4.340 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.297 -20.753 -4.031 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.461 -20.233 -3.377 1.00 0.00 N ATOM 0 H ARG A 190 22.236 -19.794 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 190 24.728 -18.808 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.783 -20.181 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.528 -21.572 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.526 -21.373 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.295 -19.661 -8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.187 -20.349 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.803 -21.987 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 190 25.995 -20.532 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.629 -20.992 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.985 -20.671 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.441 -20.076 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.148 -20.151 -2.410 1.00 0.00 H new