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= 0.0983 K(o=0.58,f=-1.3) USER MOD Set 1.2: A 188 THR OG1 : rot 143:sc= 0.479 USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.025 K(o=-0.11,f=-0.65) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.0888 X(o=-0.11,f=-0.45) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 0.919 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 157 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.49) USER MOD Single : A 171 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.865) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 179 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.13) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc=-0.00343 K(o=-0.0034,f=-1.4) USER MOD Single : A 186 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 157:sc= -0.562 (180deg=-0.891) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.123 -10.415 -12.661 1.00 0.00 N ATOM 89 CA TRP A 147 14.176 -9.984 -13.584 1.00 0.00 C ATOM 90 C TRP A 147 13.749 -10.224 -15.041 1.00 0.00 C ATOM 91 O TRP A 147 12.658 -10.738 -15.299 1.00 0.00 O ATOM 92 CB TRP A 147 15.496 -10.706 -13.257 1.00 0.00 C ATOM 93 CG TRP A 147 16.223 -10.167 -12.065 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.088 -10.585 -10.795 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.220 -9.111 -12.018 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.926 -9.884 -9.957 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.661 -8.954 -10.668 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.802 -8.269 -12.981 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.636 -8.020 -10.304 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.782 -7.322 -12.622 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.204 -7.204 -11.292 1.00 0.00 C ATOM 0 HA TRP A 147 14.338 -8.913 -13.461 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.285 -11.762 -13.090 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.153 -10.645 -14.125 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.413 -11.365 -10.475 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.995 -10.031 -8.950 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.493 -8.349 -14.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.948 -7.928 -9.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.211 -6.682 -13.379 1.00 0.00 H new ATOM 0 HH2 TRP A 147 19.966 -6.485 -11.028 1.00 0.00 H new ATOM 112 N THR A 148 14.614 -9.838 -15.993 1.00 0.00 N ATOM 113 CA THR A 148 14.338 -10.000 -17.417 1.00 0.00 C ATOM 114 C THR A 148 15.577 -10.547 -18.124 1.00 0.00 C ATOM 115 O THR A 148 16.690 -10.428 -17.616 1.00 0.00 O ATOM 116 CB THR A 148 13.930 -8.651 -18.027 1.00 0.00 C ATOM 117 OG1 THR A 148 14.992 -7.730 -17.899 1.00 0.00 O ATOM 118 CG2 THR A 148 12.689 -8.103 -17.317 1.00 0.00 C ATOM 0 H THR A 148 15.517 -9.408 -15.792 1.00 0.00 H new ATOM 0 HA THR A 148 13.517 -10.706 -17.546 1.00 0.00 H new ATOM 0 HB THR A 148 13.700 -8.797 -19.082 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.051 -7.426 -16.969 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.410 -7.146 -17.759 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.865 -8.808 -17.428 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.907 -7.964 -16.258 1.00 0.00 H new ATOM 126 N GLU A 149 15.374 -11.148 -19.303 1.00 0.00 N ATOM 127 CA GLU A 149 16.460 -11.724 -20.084 1.00 0.00 C ATOM 128 C GLU A 149 17.511 -10.659 -20.409 1.00 0.00 C ATOM 129 O GLU A 149 18.707 -10.942 -20.383 1.00 0.00 O ATOM 130 CB GLU A 149 15.892 -12.327 -21.372 1.00 0.00 C ATOM 131 CG GLU A 149 14.925 -13.467 -21.033 1.00 0.00 C ATOM 132 CD GLU A 149 14.434 -14.153 -22.301 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.138 -15.080 -22.753 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.364 -13.735 -22.794 1.00 0.00 O ATOM 0 H GLU A 149 14.455 -11.245 -19.735 1.00 0.00 H new ATOM 0 HA GLU A 149 16.944 -12.509 -19.502 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.375 -11.558 -21.946 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.703 -12.700 -21.997 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.423 -14.193 -20.390 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.076 -13.075 -20.473 1.00 0.00 H new ATOM 141 N GLU A 150 17.064 -9.435 -20.717 1.00 0.00 N ATOM 142 CA GLU A 150 17.971 -8.347 -21.050 1.00 0.00 C ATOM 143 C GLU A 150 18.892 -8.060 -19.863 1.00 0.00 C ATOM 144 O GLU A 150 20.109 -8.019 -20.019 1.00 0.00 O ATOM 145 CB GLU A 150 17.157 -7.104 -21.434 1.00 0.00 C ATOM 146 CG GLU A 150 18.090 -5.993 -21.936 1.00 0.00 C ATOM 147 CD GLU A 150 18.885 -6.447 -23.156 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.234 -6.838 -24.147 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.132 -6.396 -23.075 1.00 0.00 O ATOM 0 H GLU A 150 16.077 -9.180 -20.740 1.00 0.00 H new ATOM 0 HA GLU A 150 18.592 -8.628 -21.900 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.434 -7.359 -22.209 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.590 -6.751 -20.572 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.504 -5.110 -22.189 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.776 -5.703 -21.140 1.00 0.00 H new ATOM 156 N GLU A 151 18.312 -7.864 -18.676 1.00 0.00 N ATOM 157 CA GLU A 151 19.092 -7.594 -17.480 1.00 0.00 C ATOM 158 C GLU A 151 20.055 -8.753 -17.215 1.00 0.00 C ATOM 159 O GLU A 151 21.233 -8.532 -16.942 1.00 0.00 O ATOM 160 CB GLU A 151 18.160 -7.404 -16.290 1.00 0.00 C ATOM 161 CG GLU A 151 17.383 -6.091 -16.416 1.00 0.00 C ATOM 162 CD GLU A 151 16.336 -5.983 -15.312 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.350 -6.748 -15.389 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.540 -5.140 -14.409 1.00 0.00 O ATOM 0 H GLU A 151 17.304 -7.889 -18.524 1.00 0.00 H new ATOM 0 HA GLU A 151 19.670 -6.682 -17.626 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.463 -8.240 -16.230 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.738 -7.403 -15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.071 -5.247 -16.357 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.899 -6.040 -17.391 1.00 0.00 H new ATOM 171 N ASP A 152 19.548 -9.990 -17.298 1.00 0.00 N ATOM 172 CA ASP A 152 20.364 -11.178 -17.082 1.00 0.00 C ATOM 173 C ASP A 152 21.569 -11.152 -18.023 1.00 0.00 C ATOM 174 O ASP A 152 22.677 -11.494 -17.619 1.00 0.00 O ATOM 175 CB ASP A 152 19.518 -12.437 -17.319 1.00 0.00 C ATOM 176 CG ASP A 152 18.597 -12.728 -16.135 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.268 -11.763 -15.412 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.237 -13.915 -15.978 1.00 0.00 O ATOM 0 H ASP A 152 18.571 -10.188 -17.515 1.00 0.00 H new ATOM 0 HA ASP A 152 20.726 -11.192 -16.054 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.921 -12.310 -18.222 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.175 -13.290 -17.488 1.00 0.00 H new ATOM 183 N ARG A 153 21.347 -10.739 -19.279 1.00 0.00 N ATOM 184 CA ARG A 153 22.413 -10.649 -20.266 1.00 0.00 C ATOM 185 C ARG A 153 23.461 -9.631 -19.808 1.00 0.00 C ATOM 186 O ARG A 153 24.659 -9.900 -19.885 1.00 0.00 O ATOM 187 CB ARG A 153 21.816 -10.247 -21.619 1.00 0.00 C ATOM 188 CG ARG A 153 22.881 -10.348 -22.717 1.00 0.00 C ATOM 189 CD ARG A 153 22.351 -9.711 -24.005 1.00 0.00 C ATOM 190 NE ARG A 153 22.090 -8.274 -23.817 1.00 0.00 N ATOM 191 CZ ARG A 153 23.056 -7.339 -23.808 1.00 0.00 C ATOM 192 NH1 ARG A 153 24.337 -7.679 -24.005 1.00 0.00 N ATOM 193 NH2 ARG A 153 22.730 -6.061 -23.598 1.00 0.00 N ATOM 0 H ARG A 153 20.430 -10.462 -19.629 1.00 0.00 H new ATOM 0 HA ARG A 153 22.902 -11.617 -20.372 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.972 -10.894 -21.859 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.432 -9.228 -21.567 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.794 -9.845 -22.399 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.137 -11.392 -22.894 1.00 0.00 H new ATOM 0 HD2 ARG A 153 23.075 -9.850 -24.808 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.434 -10.213 -24.312 1.00 0.00 H new ATOM 0 HE ARG A 153 21.125 -7.972 -23.687 1.00 0.00 H new ATOM 0 HH11 ARG A 153 24.587 -8.655 -24.164 1.00 0.00 H new ATOM 0 HH12 ARG A 153 25.062 -6.962 -23.996 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.755 -5.802 -23.446 1.00 0.00 H new ATOM 0 HH22 ARG A 153 23.456 -5.344 -23.589 1.00 0.00 H new ATOM 207 N ILE A 154 23.010 -8.459 -19.333 1.00 0.00 N ATOM 208 CA ILE A 154 23.917 -7.414 -18.868 1.00 0.00 C ATOM 209 C ILE A 154 24.796 -7.958 -17.742 1.00 0.00 C ATOM 210 O ILE A 154 26.021 -7.829 -17.791 1.00 0.00 O ATOM 211 CB ILE A 154 23.109 -6.190 -18.384 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.344 -5.548 -19.563 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.055 -5.160 -17.752 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.286 -4.728 -20.454 1.00 0.00 C ATOM 0 H ILE A 154 22.021 -8.218 -19.264 1.00 0.00 H new ATOM 0 HA ILE A 154 24.558 -7.100 -19.692 1.00 0.00 H new ATOM 0 HB ILE A 154 22.386 -6.520 -17.638 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.864 -6.327 -20.156 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.551 -4.906 -19.179 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.480 -4.298 -17.412 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.569 -5.611 -16.903 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.789 -4.838 -18.491 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.719 -4.288 -21.275 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.746 -3.935 -19.865 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.063 -5.378 -20.856 1.00 0.00 H new ATOM 226 N ILE A 155 24.169 -8.566 -16.727 1.00 0.00 N ATOM 227 CA ILE A 155 24.895 -9.110 -15.587 1.00 0.00 C ATOM 228 C ILE A 155 25.845 -10.214 -16.051 1.00 0.00 C ATOM 229 O ILE A 155 26.973 -10.279 -15.591 1.00 0.00 O ATOM 230 CB ILE A 155 23.902 -9.644 -14.542 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.037 -8.491 -14.011 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.678 -10.275 -13.376 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.777 -9.046 -13.347 1.00 0.00 C ATOM 0 H ILE A 155 23.158 -8.691 -16.678 1.00 0.00 H new ATOM 0 HA ILE A 155 25.488 -8.320 -15.126 1.00 0.00 H new ATOM 0 HB ILE A 155 23.261 -10.394 -15.006 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.606 -7.899 -13.294 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.764 -7.824 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.975 -10.654 -12.634 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.290 -11.096 -13.749 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.320 -9.523 -12.917 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.169 -8.222 -12.973 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.203 -9.618 -14.076 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.058 -9.694 -12.517 1.00 0.00 H new ATOM 245 N TYR A 156 25.384 -11.078 -16.960 1.00 0.00 N ATOM 246 CA TYR A 156 26.194 -12.175 -17.476 1.00 0.00 C ATOM 247 C TYR A 156 27.481 -11.638 -18.104 1.00 0.00 C ATOM 248 O TYR A 156 28.572 -12.124 -17.799 1.00 0.00 O ATOM 249 CB TYR A 156 25.366 -12.964 -18.497 1.00 0.00 C ATOM 250 CG TYR A 156 26.151 -14.028 -19.235 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.332 -15.298 -18.658 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.687 -13.752 -20.506 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.048 -16.289 -19.350 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.401 -14.744 -21.198 1.00 0.00 C ATOM 255 CZ TYR A 156 27.580 -16.012 -20.621 1.00 0.00 C ATOM 256 OH TYR A 156 28.270 -16.976 -21.298 1.00 0.00 O ATOM 0 H TYR A 156 24.444 -11.034 -17.354 1.00 0.00 H new ATOM 0 HA TYR A 156 26.481 -12.839 -16.661 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.528 -13.436 -17.984 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.944 -12.269 -19.223 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.920 -15.511 -17.683 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.549 -12.777 -20.950 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.190 -17.263 -18.906 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.812 -14.532 -22.174 1.00 0.00 H new ATOM 0 HH TYR A 156 28.568 -16.620 -22.161 1.00 0.00 H new ATOM 266 N GLN A 157 27.353 -10.638 -18.981 1.00 0.00 N ATOM 267 CA GLN A 157 28.502 -10.050 -19.651 1.00 0.00 C ATOM 268 C GLN A 157 29.440 -9.415 -18.622 1.00 0.00 C ATOM 269 O GLN A 157 30.636 -9.702 -18.609 1.00 0.00 O ATOM 270 CB GLN A 157 28.021 -9.002 -20.668 1.00 0.00 C ATOM 271 CG GLN A 157 28.474 -9.400 -22.074 1.00 0.00 C ATOM 272 CD GLN A 157 28.023 -8.368 -23.102 1.00 0.00 C ATOM 273 OE1 GLN A 157 27.075 -8.602 -23.847 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.704 -7.223 -23.140 1.00 0.00 N ATOM 0 H GLN A 157 26.459 -10.222 -19.240 1.00 0.00 H new ATOM 0 HA GLN A 157 29.052 -10.828 -20.181 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.934 -8.921 -20.635 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.421 -8.021 -20.411 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.560 -9.493 -22.098 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.064 -10.377 -22.330 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.485 -7.073 -22.501 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.444 -6.497 -23.808 1.00 0.00 H new ATOM 283 N ALA A 158 28.890 -8.547 -17.765 1.00 0.00 N ATOM 284 CA ALA A 158 29.671 -7.846 -16.754 1.00 0.00 C ATOM 285 C ALA A 158 30.367 -8.836 -15.817 1.00 0.00 C ATOM 286 O ALA A 158 31.515 -8.619 -15.429 1.00 0.00 O ATOM 287 CB ALA A 158 28.743 -6.922 -15.966 1.00 0.00 C ATOM 0 H ALA A 158 27.897 -8.316 -17.757 1.00 0.00 H new ATOM 0 HA ALA A 158 30.447 -7.256 -17.243 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.317 -6.392 -15.206 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.286 -6.201 -16.644 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.963 -7.513 -15.485 1.00 0.00 H new ATOM 293 N HIS A 159 29.673 -9.918 -15.452 1.00 0.00 N ATOM 294 CA HIS A 159 30.215 -10.919 -14.549 1.00 0.00 C ATOM 295 C HIS A 159 31.437 -11.583 -15.173 1.00 0.00 C ATOM 296 O HIS A 159 32.447 -11.753 -14.511 1.00 0.00 O ATOM 297 CB HIS A 159 29.139 -11.959 -14.223 1.00 0.00 C ATOM 298 CG HIS A 159 29.625 -12.998 -13.247 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.269 -14.163 -13.647 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.583 -13.070 -11.879 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.566 -14.847 -12.524 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.173 -14.233 -11.407 1.00 0.00 N ATOM 0 H HIS A 159 28.726 -10.118 -15.776 1.00 0.00 H new ATOM 0 HA HIS A 159 30.525 -10.437 -13.622 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.265 -11.456 -13.810 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.820 -12.449 -15.143 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.477 -14.446 -14.605 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.144 -12.313 -11.246 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.073 -15.800 -12.528 1.00 0.00 H new ATOM 310 N LYS A 160 31.352 -11.961 -16.449 1.00 0.00 N ATOM 311 CA LYS A 160 32.476 -12.596 -17.119 1.00 0.00 C ATOM 312 C LYS A 160 33.618 -11.593 -17.303 1.00 0.00 C ATOM 313 O LYS A 160 34.782 -11.985 -17.331 1.00 0.00 O ATOM 314 CB LYS A 160 32.025 -13.170 -18.465 1.00 0.00 C ATOM 315 CG LYS A 160 31.299 -14.500 -18.235 1.00 0.00 C ATOM 316 CD LYS A 160 31.192 -15.272 -19.553 1.00 0.00 C ATOM 317 CE LYS A 160 30.948 -16.753 -19.256 1.00 0.00 C ATOM 318 NZ LYS A 160 30.930 -17.549 -20.495 1.00 0.00 N ATOM 0 H LYS A 160 30.523 -11.838 -17.030 1.00 0.00 H new ATOM 0 HA LYS A 160 32.844 -13.416 -16.503 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.364 -12.465 -18.970 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.887 -13.321 -19.115 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.838 -15.095 -17.498 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.304 -14.316 -17.830 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.377 -14.872 -20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.107 -15.152 -20.133 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.727 -17.127 -18.592 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.000 -16.870 -18.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.103 -18.549 -20.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.002 -17.454 -20.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.672 -17.207 -21.138 1.00 0.00 H new ATOM 332 N ARG A 161 33.286 -10.302 -17.425 1.00 0.00 N ATOM 333 CA ARG A 161 34.289 -9.261 -17.593 1.00 0.00 C ATOM 334 C ARG A 161 35.091 -9.095 -16.295 1.00 0.00 C ATOM 335 O ARG A 161 36.320 -9.130 -16.319 1.00 0.00 O ATOM 336 CB ARG A 161 33.589 -7.948 -17.988 1.00 0.00 C ATOM 337 CG ARG A 161 34.535 -7.048 -18.801 1.00 0.00 C ATOM 338 CD ARG A 161 35.722 -6.604 -17.941 1.00 0.00 C ATOM 339 NE ARG A 161 36.284 -5.338 -18.426 1.00 0.00 N ATOM 340 CZ ARG A 161 37.191 -4.628 -17.733 1.00 0.00 C ATOM 341 NH1 ARG A 161 37.671 -5.099 -16.573 1.00 0.00 N ATOM 342 NH2 ARG A 161 37.617 -3.448 -18.202 1.00 0.00 N ATOM 0 H ARG A 161 32.325 -9.960 -17.410 1.00 0.00 H new ATOM 0 HA ARG A 161 34.986 -9.537 -18.384 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.697 -8.168 -18.574 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.260 -7.422 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.895 -7.586 -19.678 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.994 -6.174 -19.163 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.402 -6.490 -16.905 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.492 -7.375 -17.953 1.00 0.00 H new ATOM 0 HE ARG A 161 35.972 -4.981 -19.329 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.348 -5.998 -16.215 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.359 -4.559 -16.049 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.253 -3.089 -19.085 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.305 -2.909 -17.677 1.00 0.00 H new ATOM 356 N LEU A 162 34.393 -8.903 -15.165 1.00 0.00 N ATOM 357 CA LEU A 162 35.042 -8.686 -13.874 1.00 0.00 C ATOM 358 C LEU A 162 35.024 -9.966 -13.035 1.00 0.00 C ATOM 359 O LEU A 162 36.074 -10.538 -12.753 1.00 0.00 O ATOM 360 CB LEU A 162 34.317 -7.553 -13.130 1.00 0.00 C ATOM 361 CG LEU A 162 34.479 -6.222 -13.882 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.411 -5.239 -13.404 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.869 -5.633 -13.616 1.00 0.00 C ATOM 0 H LEU A 162 33.374 -8.895 -15.125 1.00 0.00 H new ATOM 0 HA LEU A 162 36.083 -8.408 -14.041 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.259 -7.795 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.718 -7.458 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 162 34.367 -6.399 -14.952 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.523 -4.294 -13.935 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.422 -5.652 -13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.526 -5.069 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.974 -4.690 -14.153 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.991 -5.457 -12.547 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.632 -6.332 -13.958 1.00 0.00 H new ATOM 375 N GLY A 163 33.826 -10.398 -12.630 1.00 0.00 N ATOM 376 CA GLY A 163 33.652 -11.573 -11.787 1.00 0.00 C ATOM 377 C GLY A 163 32.481 -11.328 -10.843 1.00 0.00 C ATOM 378 O GLY A 163 31.493 -10.709 -11.234 1.00 0.00 O ATOM 0 H GLY A 163 32.951 -9.938 -12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.465 -12.454 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.561 -11.768 -11.218 1.00 0.00 H new ATOM 382 N ASN A 164 32.596 -11.793 -9.594 1.00 0.00 N ATOM 383 CA ASN A 164 31.558 -11.576 -8.588 1.00 0.00 C ATOM 384 C ASN A 164 31.757 -10.192 -7.958 1.00 0.00 C ATOM 385 O ASN A 164 31.579 -10.023 -6.752 1.00 0.00 O ATOM 386 CB ASN A 164 31.637 -12.673 -7.516 1.00 0.00 C ATOM 387 CG ASN A 164 31.432 -14.063 -8.115 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.329 -14.604 -8.072 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.497 -14.647 -8.667 1.00 0.00 N ATOM 0 H ASN A 164 33.400 -12.323 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 164 30.573 -11.620 -9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.607 -12.629 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.881 -12.491 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.414 -15.578 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.394 -14.162 -8.681 1.00 0.00 H new ATOM 396 N ARG A 165 32.140 -9.206 -8.782 1.00 0.00 N ATOM 397 CA ARG A 165 32.421 -7.858 -8.318 1.00 0.00 C ATOM 398 C ARG A 165 31.138 -7.022 -8.339 1.00 0.00 C ATOM 399 O ARG A 165 31.036 -6.029 -9.057 1.00 0.00 O ATOM 400 CB ARG A 165 33.532 -7.254 -9.206 1.00 0.00 C ATOM 401 CG ARG A 165 34.784 -7.000 -8.364 1.00 0.00 C ATOM 402 CD ARG A 165 35.973 -6.706 -9.283 1.00 0.00 C ATOM 403 NE ARG A 165 37.161 -6.332 -8.500 1.00 0.00 N ATOM 404 CZ ARG A 165 37.388 -5.087 -8.032 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.623 -4.057 -8.420 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.390 -4.877 -7.169 1.00 0.00 N ATOM 0 H ARG A 165 32.261 -9.330 -9.787 1.00 0.00 H new ATOM 0 HA ARG A 165 32.775 -7.868 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.765 -7.933 -10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.187 -6.322 -9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.616 -6.160 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.999 -7.869 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.194 -7.584 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.716 -5.899 -9.970 1.00 0.00 H new ATOM 0 HE ARG A 165 37.852 -7.055 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.858 -4.209 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.806 -3.121 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.976 -5.656 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.567 -3.938 -6.812 1.00 0.00 H new ATOM 420 N TRP A 166 30.152 -7.425 -7.533 1.00 0.00 N ATOM 421 CA TRP A 166 28.890 -6.703 -7.440 1.00 0.00 C ATOM 422 C TRP A 166 29.151 -5.301 -6.898 1.00 0.00 C ATOM 423 O TRP A 166 28.476 -4.354 -7.278 1.00 0.00 O ATOM 424 CB TRP A 166 27.921 -7.459 -6.528 1.00 0.00 C ATOM 425 CG TRP A 166 28.046 -8.946 -6.583 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.537 -9.713 -5.603 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.699 -9.867 -7.661 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.532 -11.037 -5.962 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.019 -11.196 -7.237 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.148 -9.725 -8.957 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.807 -12.313 -8.047 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.930 -10.853 -9.777 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.262 -12.141 -9.322 1.00 0.00 C ATOM 0 H TRP A 166 30.208 -8.250 -6.936 1.00 0.00 H new ATOM 0 HA TRP A 166 28.439 -6.624 -8.429 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.080 -7.132 -5.500 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.901 -7.183 -6.796 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.891 -9.339 -4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.861 -11.800 -5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.891 -8.742 -9.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.062 -13.301 -7.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.505 -10.726 -10.762 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.096 -12.998 -9.958 1.00 0.00 H new ATOM 444 N ALA A 167 30.146 -5.172 -6.010 1.00 0.00 N ATOM 445 CA ALA A 167 30.506 -3.890 -5.421 1.00 0.00 C ATOM 446 C ALA A 167 30.962 -2.895 -6.501 1.00 0.00 C ATOM 447 O ALA A 167 31.135 -1.716 -6.207 1.00 0.00 O ATOM 448 CB ALA A 167 31.615 -4.109 -4.392 1.00 0.00 C ATOM 0 H ALA A 167 30.717 -5.953 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 167 29.630 -3.464 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.891 -3.154 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.261 -4.784 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.485 -4.545 -4.882 1.00 0.00 H new ATOM 454 N GLU A 168 31.151 -3.371 -7.744 1.00 0.00 N ATOM 455 CA GLU A 168 31.548 -2.523 -8.859 1.00 0.00 C ATOM 456 C GLU A 168 30.420 -2.492 -9.893 1.00 0.00 C ATOM 457 O GLU A 168 29.950 -1.423 -10.272 1.00 0.00 O ATOM 458 CB GLU A 168 32.838 -3.080 -9.472 1.00 0.00 C ATOM 459 CG GLU A 168 33.354 -2.136 -10.564 1.00 0.00 C ATOM 460 CD GLU A 168 34.567 -2.730 -11.271 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.216 -3.602 -10.651 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.822 -2.304 -12.415 1.00 0.00 O ATOM 0 H GLU A 168 31.031 -4.353 -7.994 1.00 0.00 H new ATOM 0 HA GLU A 168 31.733 -1.504 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.595 -3.200 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.652 -4.068 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.563 -1.946 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.620 -1.175 -10.123 1.00 0.00 H new ATOM 469 N ILE A 169 29.993 -3.676 -10.344 1.00 0.00 N ATOM 470 CA ILE A 169 28.945 -3.805 -11.349 1.00 0.00 C ATOM 471 C ILE A 169 27.661 -3.118 -10.875 1.00 0.00 C ATOM 472 O ILE A 169 27.031 -2.386 -11.635 1.00 0.00 O ATOM 473 CB ILE A 169 28.696 -5.301 -11.624 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.966 -5.935 -12.221 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.529 -5.460 -12.609 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.862 -7.463 -12.188 1.00 0.00 C ATOM 0 H ILE A 169 30.367 -4.568 -10.020 1.00 0.00 H new ATOM 0 HA ILE A 169 29.261 -3.318 -12.271 1.00 0.00 H new ATOM 0 HB ILE A 169 28.447 -5.802 -10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.103 -5.595 -13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.842 -5.611 -11.659 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.356 -6.519 -12.801 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.629 -5.017 -12.182 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.772 -4.957 -13.545 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.766 -7.899 -12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.748 -7.798 -11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.998 -7.782 -12.771 1.00 0.00 H new ATOM 488 N ALA A 170 27.270 -3.361 -9.620 1.00 0.00 N ATOM 489 CA ALA A 170 26.046 -2.801 -9.067 1.00 0.00 C ATOM 490 C ALA A 170 26.085 -1.272 -9.071 1.00 0.00 C ATOM 491 O ALA A 170 25.055 -0.636 -9.247 1.00 0.00 O ATOM 492 CB ALA A 170 25.847 -3.328 -7.648 1.00 0.00 C ATOM 0 H ALA A 170 27.792 -3.947 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 170 25.206 -3.108 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.931 -2.911 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.773 -4.415 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.695 -3.035 -7.029 1.00 0.00 H new ATOM 498 N LYS A 171 27.267 -0.673 -8.877 1.00 0.00 N ATOM 499 CA LYS A 171 27.385 0.782 -8.857 1.00 0.00 C ATOM 500 C LYS A 171 27.064 1.350 -10.242 1.00 0.00 C ATOM 501 O LYS A 171 26.541 2.458 -10.345 1.00 0.00 O ATOM 502 CB LYS A 171 28.790 1.198 -8.402 1.00 0.00 C ATOM 503 CG LYS A 171 28.816 1.404 -6.877 1.00 0.00 C ATOM 504 CD LYS A 171 28.785 0.051 -6.150 1.00 0.00 C ATOM 505 CE LYS A 171 27.424 -0.172 -5.482 1.00 0.00 C ATOM 506 NZ LYS A 171 27.420 -1.434 -4.718 1.00 0.00 N ATOM 0 H LYS A 171 28.145 -1.172 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 171 26.668 1.189 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.513 0.433 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.086 2.118 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.713 1.955 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 171 27.961 2.007 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.984 -0.753 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 171 29.574 0.017 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 171 27.198 0.662 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 171 26.641 -0.197 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 26.452 -1.645 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 27.762 -2.207 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.043 -1.341 -3.891 1.00 0.00 H new ATOM 520 N LEU A 172 27.366 0.591 -11.306 1.00 0.00 N ATOM 521 CA LEU A 172 27.065 1.023 -12.667 1.00 0.00 C ATOM 522 C LEU A 172 25.551 0.980 -12.898 1.00 0.00 C ATOM 523 O LEU A 172 25.045 1.637 -13.806 1.00 0.00 O ATOM 524 CB LEU A 172 27.787 0.121 -13.680 1.00 0.00 C ATOM 525 CG LEU A 172 29.305 0.126 -13.433 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.977 -0.844 -14.407 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.874 1.533 -13.646 1.00 0.00 C ATOM 0 H LEU A 172 27.817 -0.322 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 172 27.415 2.046 -12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.405 -0.897 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.578 0.465 -14.693 1.00 0.00 H new ATOM 0 HG LEU A 172 29.499 -0.182 -12.406 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.053 -0.844 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.584 -1.849 -14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.772 -0.531 -15.431 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.949 1.521 -13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.679 1.853 -14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.399 2.227 -12.952 1.00 0.00 H new ATOM 539 N LEU A 173 24.833 0.204 -12.066 1.00 0.00 N ATOM 540 CA LEU A 173 23.384 0.074 -12.153 1.00 0.00 C ATOM 541 C LEU A 173 22.768 0.429 -10.793 1.00 0.00 C ATOM 542 O LEU A 173 22.401 -0.466 -10.040 1.00 0.00 O ATOM 543 CB LEU A 173 23.030 -1.373 -12.537 1.00 0.00 C ATOM 544 CG LEU A 173 23.570 -1.715 -13.936 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.432 -3.221 -14.173 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.778 -0.960 -15.010 1.00 0.00 C ATOM 0 H LEU A 173 25.251 -0.348 -11.316 1.00 0.00 H new ATOM 0 HA LEU A 173 22.989 0.750 -12.912 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.448 -2.061 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.948 -1.505 -12.518 1.00 0.00 H new ATOM 0 HG LEU A 173 24.618 -1.421 -13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.813 -3.470 -15.163 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.003 -3.762 -13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.382 -3.505 -14.107 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.171 -1.211 -15.995 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.727 -1.245 -14.955 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.872 0.113 -14.845 1.00 0.00 H new ATOM 558 N PRO A 174 22.655 1.736 -10.470 1.00 0.00 N ATOM 559 CA PRO A 174 22.123 2.188 -9.194 1.00 0.00 C ATOM 560 C PRO A 174 20.733 1.610 -8.913 1.00 0.00 C ATOM 561 O PRO A 174 20.383 1.381 -7.757 1.00 0.00 O ATOM 562 CB PRO A 174 22.083 3.718 -9.276 1.00 0.00 C ATOM 563 CG PRO A 174 22.731 4.113 -10.608 1.00 0.00 C ATOM 564 CD PRO A 174 23.056 2.816 -11.349 1.00 0.00 C ATOM 0 HA PRO A 174 22.749 1.846 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.056 4.080 -9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.620 4.163 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 174 22.056 4.734 -11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.635 4.697 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.521 2.765 -12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 174 24.120 2.756 -11.580 1.00 0.00 H new ATOM 572 N GLY A 175 19.940 1.374 -9.967 1.00 0.00 N ATOM 573 CA GLY A 175 18.592 0.838 -9.821 1.00 0.00 C ATOM 574 C GLY A 175 18.612 -0.629 -9.365 1.00 0.00 C ATOM 575 O GLY A 175 17.553 -1.199 -9.103 1.00 0.00 O ATOM 0 H GLY A 175 20.217 1.549 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.038 1.437 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.064 0.917 -10.771 1.00 0.00 H new ATOM 579 N ARG A 176 19.808 -1.237 -9.278 1.00 0.00 N ATOM 580 CA ARG A 176 19.960 -2.628 -8.865 1.00 0.00 C ATOM 581 C ARG A 176 21.075 -2.724 -7.818 1.00 0.00 C ATOM 582 O ARG A 176 22.252 -2.622 -8.153 1.00 0.00 O ATOM 583 CB ARG A 176 20.302 -3.493 -10.089 1.00 0.00 C ATOM 584 CG ARG A 176 19.233 -3.356 -11.185 1.00 0.00 C ATOM 585 CD ARG A 176 17.927 -4.030 -10.752 1.00 0.00 C ATOM 586 NE ARG A 176 16.965 -4.049 -11.864 1.00 0.00 N ATOM 587 CZ ARG A 176 16.018 -3.109 -12.054 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.897 -2.072 -11.210 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.193 -3.215 -13.099 1.00 0.00 N ATOM 0 H ARG A 176 20.690 -0.772 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 176 19.029 -2.989 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.273 -3.197 -10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.385 -4.537 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.052 -2.302 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.592 -3.808 -12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.129 -5.049 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.500 -3.497 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 176 17.018 -4.819 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.527 -1.988 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.175 -1.368 -11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.284 -4.001 -13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.472 -2.510 -13.253 1.00 0.00 H new ATOM 603 N THR A 177 20.700 -2.917 -6.549 1.00 0.00 N ATOM 604 CA THR A 177 21.666 -3.009 -5.461 1.00 0.00 C ATOM 605 C THR A 177 22.495 -4.291 -5.586 1.00 0.00 C ATOM 606 O THR A 177 22.001 -5.311 -6.071 1.00 0.00 O ATOM 607 CB THR A 177 20.919 -2.983 -4.123 1.00 0.00 C ATOM 608 OG1 THR A 177 19.845 -3.900 -4.166 1.00 0.00 O ATOM 609 CG2 THR A 177 20.375 -1.577 -3.862 1.00 0.00 C ATOM 0 H THR A 177 19.728 -3.012 -6.254 1.00 0.00 H new ATOM 0 HA THR A 177 22.348 -2.161 -5.512 1.00 0.00 H new ATOM 0 HB THR A 177 21.605 -3.259 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.368 -3.885 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.845 -1.563 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.202 -0.868 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.690 -1.297 -4.663 1.00 0.00 H new ATOM 617 N ASP A 178 23.758 -4.230 -5.136 1.00 0.00 N ATOM 618 CA ASP A 178 24.665 -5.372 -5.176 1.00 0.00 C ATOM 619 C ASP A 178 24.049 -6.571 -4.461 1.00 0.00 C ATOM 620 O ASP A 178 24.159 -7.694 -4.940 1.00 0.00 O ATOM 621 CB ASP A 178 26.002 -4.986 -4.527 1.00 0.00 C ATOM 622 CG ASP A 178 25.790 -4.138 -3.279 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.609 -2.909 -3.455 1.00 0.00 O ATOM 624 OD2 ASP A 178 25.810 -4.727 -2.180 1.00 0.00 O ATOM 0 H ASP A 178 24.172 -3.387 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 178 24.840 -5.653 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.555 -5.888 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.611 -4.435 -5.244 1.00 0.00 H new ATOM 629 N ASN A 179 23.400 -6.331 -3.318 1.00 0.00 N ATOM 630 CA ASN A 179 22.768 -7.395 -2.549 1.00 0.00 C ATOM 631 C ASN A 179 21.752 -8.138 -3.419 1.00 0.00 C ATOM 632 O ASN A 179 21.754 -9.368 -3.469 1.00 0.00 O ATOM 633 CB ASN A 179 22.078 -6.794 -1.319 1.00 0.00 C ATOM 634 CG ASN A 179 23.048 -5.949 -0.501 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.983 -4.723 -0.537 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.945 -6.603 0.236 1.00 0.00 N ATOM 0 H ASN A 179 23.301 -5.403 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 179 23.527 -8.105 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.235 -6.180 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.675 -7.594 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.616 -6.084 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.961 -7.623 0.234 1.00 0.00 H new ATOM 643 N ALA A 180 20.883 -7.382 -4.101 1.00 0.00 N ATOM 644 CA ALA A 180 19.849 -7.958 -4.945 1.00 0.00 C ATOM 645 C ALA A 180 20.472 -8.751 -6.093 1.00 0.00 C ATOM 646 O ALA A 180 20.097 -9.897 -6.320 1.00 0.00 O ATOM 647 CB ALA A 180 18.953 -6.841 -5.487 1.00 0.00 C ATOM 0 H ALA A 180 20.883 -6.362 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 180 19.245 -8.644 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.177 -7.272 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.490 -6.310 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.554 -6.144 -6.072 1.00 0.00 H new ATOM 653 N ILE A 181 21.420 -8.139 -6.818 1.00 0.00 N ATOM 654 CA ILE A 181 22.066 -8.791 -7.954 1.00 0.00 C ATOM 655 C ILE A 181 22.741 -10.088 -7.504 1.00 0.00 C ATOM 656 O ILE A 181 22.574 -11.124 -8.139 1.00 0.00 O ATOM 657 CB ILE A 181 23.098 -7.845 -8.589 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.395 -6.612 -9.174 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.835 -8.585 -9.713 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.391 -5.458 -9.303 1.00 0.00 C ATOM 0 H ILE A 181 21.753 -7.193 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 181 21.308 -9.033 -8.699 1.00 0.00 H new ATOM 0 HB ILE A 181 23.806 -7.524 -7.825 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.974 -6.852 -10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.565 -6.317 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.568 -7.919 -10.167 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.343 -9.458 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.118 -8.905 -10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.886 -4.586 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.791 -5.211 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.207 -5.754 -9.963 1.00 0.00 H new ATOM 672 N LYS A 182 23.509 -10.021 -6.412 1.00 0.00 N ATOM 673 CA LYS A 182 24.226 -11.174 -5.890 1.00 0.00 C ATOM 674 C LYS A 182 23.255 -12.316 -5.599 1.00 0.00 C ATOM 675 O LYS A 182 23.447 -13.431 -6.085 1.00 0.00 O ATOM 676 CB LYS A 182 24.977 -10.760 -4.619 1.00 0.00 C ATOM 677 CG LYS A 182 25.743 -11.956 -4.046 1.00 0.00 C ATOM 678 CD LYS A 182 26.559 -11.505 -2.833 1.00 0.00 C ATOM 679 CE LYS A 182 27.325 -12.697 -2.254 1.00 0.00 C ATOM 680 NZ LYS A 182 28.084 -12.305 -1.052 1.00 0.00 N ATOM 0 H LYS A 182 23.647 -9.167 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 182 24.943 -11.527 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.670 -9.949 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.273 -10.381 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.046 -12.743 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.402 -12.377 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.256 -10.719 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.899 -11.082 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.627 -13.495 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.007 -13.095 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.594 -13.131 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.766 -11.560 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.428 -11.948 -0.328 1.00 0.00 H new ATOM 694 N ASN A 183 22.219 -12.039 -4.801 1.00 0.00 N ATOM 695 CA ASN A 183 21.237 -13.049 -4.427 1.00 0.00 C ATOM 696 C ASN A 183 20.574 -13.632 -5.674 1.00 0.00 C ATOM 697 O ASN A 183 20.475 -14.849 -5.812 1.00 0.00 O ATOM 698 CB ASN A 183 20.187 -12.421 -3.503 1.00 0.00 C ATOM 699 CG ASN A 183 20.795 -12.007 -2.164 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.967 -12.269 -1.896 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.994 -11.359 -1.320 1.00 0.00 N ATOM 0 H ASN A 183 22.043 -11.117 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 183 21.738 -13.860 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.748 -11.550 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.379 -13.132 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.346 -11.059 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.028 -11.162 -1.583 1.00 0.00 H new ATOM 708 N HIS A 184 20.119 -12.757 -6.577 1.00 0.00 N ATOM 709 CA HIS A 184 19.459 -13.174 -7.805 1.00 0.00 C ATOM 710 C HIS A 184 20.361 -14.111 -8.605 1.00 0.00 C ATOM 711 O HIS A 184 19.948 -15.210 -8.962 1.00 0.00 O ATOM 712 CB HIS A 184 19.103 -11.931 -8.627 1.00 0.00 C ATOM 713 CG HIS A 184 18.981 -12.212 -10.104 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.119 -13.171 -10.627 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.610 -11.671 -11.197 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.278 -13.144 -11.967 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.177 -12.250 -12.377 1.00 0.00 N ATOM 0 H HIS A 184 20.200 -11.746 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 184 18.546 -13.718 -7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.162 -11.519 -8.263 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.866 -11.169 -8.470 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.353 -10.889 -11.143 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.730 -13.785 -12.642 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.474 -12.043 -13.330 1.00 0.00 H new ATOM 725 N TRP A 185 21.587 -13.671 -8.895 1.00 0.00 N ATOM 726 CA TRP A 185 22.517 -14.459 -9.677 1.00 0.00 C ATOM 727 C TRP A 185 22.748 -15.816 -9.020 1.00 0.00 C ATOM 728 O TRP A 185 22.551 -16.845 -9.656 1.00 0.00 O ATOM 729 CB TRP A 185 23.836 -13.704 -9.829 1.00 0.00 C ATOM 730 CG TRP A 185 24.883 -14.454 -10.591 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.748 -15.336 -10.067 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.189 -14.418 -12.017 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.571 -15.853 -11.034 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.273 -15.317 -12.269 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.666 -13.723 -13.129 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.808 -15.509 -13.543 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.201 -13.917 -14.421 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.272 -14.806 -14.624 1.00 0.00 C ATOM 0 H TRP A 185 21.952 -12.767 -8.594 1.00 0.00 H new ATOM 0 HA TRP A 185 22.093 -14.628 -10.667 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.644 -12.756 -10.332 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.223 -13.466 -8.838 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.790 -15.603 -9.021 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.304 -16.541 -10.863 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.846 -13.034 -12.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.629 -16.195 -13.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.785 -13.379 -15.260 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.679 -14.945 -15.615 1.00 0.00 H new ATOM 749 N ASN A 186 23.171 -15.817 -7.748 1.00 0.00 N ATOM 750 CA ASN A 186 23.459 -17.054 -7.027 1.00 0.00 C ATOM 751 C ASN A 186 22.158 -17.710 -6.551 1.00 0.00 C ATOM 752 O ASN A 186 22.009 -18.004 -5.367 1.00 0.00 O ATOM 753 CB ASN A 186 24.380 -16.747 -5.836 1.00 0.00 C ATOM 754 CG ASN A 186 25.736 -16.223 -6.303 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.654 -17.002 -6.558 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.865 -14.901 -6.415 1.00 0.00 N ATOM 0 H ASN A 186 23.320 -14.970 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 186 23.963 -17.752 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.906 -16.009 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.522 -17.649 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.751 -14.499 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.078 -14.291 -6.193 1.00 0.00 H new ATOM 763 N SER A 187 21.221 -17.944 -7.482 1.00 0.00 N ATOM 764 CA SER A 187 19.944 -18.569 -7.169 1.00 0.00 C ATOM 765 C SER A 187 19.193 -18.873 -8.464 1.00 0.00 C ATOM 766 O SER A 187 18.807 -20.013 -8.709 1.00 0.00 O ATOM 767 CB SER A 187 19.114 -17.635 -6.275 1.00 0.00 C ATOM 768 OG SER A 187 17.889 -18.258 -5.945 1.00 0.00 O ATOM 0 H SER A 187 21.334 -17.703 -8.467 1.00 0.00 H new ATOM 0 HA SER A 187 20.116 -19.503 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.668 -17.397 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.927 -16.693 -6.791 1.00 0.00 H new ATOM 0 HG SER A 187 17.362 -17.661 -5.373 1.00 0.00 H new ATOM 774 N THR A 188 18.982 -17.840 -9.287 1.00 0.00 N ATOM 775 CA THR A 188 18.244 -17.972 -10.533 1.00 0.00 C ATOM 776 C THR A 188 19.131 -18.561 -11.631 1.00 0.00 C ATOM 777 O THR A 188 18.697 -19.456 -12.355 1.00 0.00 O ATOM 778 CB THR A 188 17.722 -16.589 -10.951 1.00 0.00 C ATOM 779 OG1 THR A 188 17.067 -15.978 -9.857 1.00 0.00 O ATOM 780 CG2 THR A 188 16.736 -16.735 -12.112 1.00 0.00 C ATOM 0 H THR A 188 19.319 -16.895 -9.103 1.00 0.00 H new ATOM 0 HA THR A 188 17.405 -18.652 -10.384 1.00 0.00 H new ATOM 0 HB THR A 188 18.563 -15.971 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.249 -15.015 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.369 -15.751 -12.404 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.238 -17.201 -12.960 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.897 -17.357 -11.801 1.00 0.00 H new ATOM 788 N MET A 189 20.366 -18.049 -11.765 1.00 0.00 N ATOM 789 CA MET A 189 21.277 -18.494 -12.814 1.00 0.00 C ATOM 790 C MET A 189 22.489 -19.206 -12.219 1.00 0.00 C ATOM 791 O MET A 189 22.601 -20.425 -12.325 1.00 0.00 O ATOM 792 CB MET A 189 21.719 -17.283 -13.643 1.00 0.00 C ATOM 793 CG MET A 189 20.548 -16.776 -14.491 1.00 0.00 C ATOM 794 SD MET A 189 21.053 -15.745 -15.892 1.00 0.00 S ATOM 795 CE MET A 189 21.673 -14.309 -14.985 1.00 0.00 C ATOM 0 H MET A 189 20.750 -17.326 -11.156 1.00 0.00 H new ATOM 0 HA MET A 189 20.759 -19.206 -13.457 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.072 -16.490 -12.984 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.554 -17.558 -14.288 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.986 -17.631 -14.865 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.872 -16.204 -13.855 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.378 -13.761 -15.610 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.840 -13.658 -14.721 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.175 -14.642 -14.077 1.00 0.00 H new ATOM 805 N ARG A 190 23.403 -18.438 -11.610 1.00 0.00 N ATOM 806 CA ARG A 190 24.634 -18.980 -11.047 1.00 0.00 C ATOM 807 C ARG A 190 25.468 -19.607 -12.172 1.00 0.00 C ATOM 808 O ARG A 190 26.200 -20.571 -11.951 1.00 0.00 O ATOM 809 CB ARG A 190 24.292 -20.004 -9.953 1.00 0.00 C ATOM 810 CG ARG A 190 25.465 -20.140 -8.974 1.00 0.00 C ATOM 811 CD ARG A 190 25.067 -21.059 -7.813 1.00 0.00 C ATOM 812 NE ARG A 190 24.596 -22.365 -8.301 1.00 0.00 N ATOM 813 CZ ARG A 190 25.418 -23.322 -8.772 1.00 0.00 C ATOM 814 NH1 ARG A 190 26.744 -23.130 -8.785 1.00 0.00 N ATOM 815 NH2 ARG A 190 24.906 -24.471 -9.229 1.00 0.00 N ATOM 0 H ARG A 190 23.305 -17.429 -11.497 1.00 0.00 H new ATOM 0 HA ARG A 190 25.224 -18.187 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.396 -19.690 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.071 -20.971 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.336 -20.546 -9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.748 -19.159 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.921 -21.202 -7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.283 -20.584 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 190 23.594 -22.555 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.136 -22.255 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 190 27.361 -23.859 -9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 190 23.897 -24.619 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.525 -25.199 -9.587 1.00 0.00 H new