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 156 TYR OH : rot 150:sc= 0.763 USER MOD Set 1.2: A 160 LYS NZ :NH3+ 158:sc= 0.875 (180deg=-0.0756) USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.675 K(o=-0.69,f=-2.7) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.014 X(o=-0.69,f=-0.82) USER MOD Single : A 148 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.54) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 184 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.51) USER MOD Single : A 186 ASN : amide:sc= 0.904 K(o=0.9,f=-1.3) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 189 MET CE :methyl -163:sc= -0.307 (180deg=-0.977) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.414 -9.205 -12.139 1.00 0.00 N ATOM 89 CA TRP A 147 14.380 -9.073 -13.232 1.00 0.00 C ATOM 90 C TRP A 147 13.744 -9.451 -14.577 1.00 0.00 C ATOM 91 O TRP A 147 12.575 -9.835 -14.636 1.00 0.00 O ATOM 92 CB TRP A 147 15.621 -9.926 -12.934 1.00 0.00 C ATOM 93 CG TRP A 147 16.451 -9.416 -11.800 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.358 -9.799 -10.517 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.506 -8.414 -11.828 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.270 -9.126 -9.736 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.016 -8.251 -10.503 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.087 -7.623 -12.839 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.049 -7.359 -10.204 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.128 -6.720 -12.544 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.610 -6.591 -11.233 1.00 0.00 C ATOM 0 HA TRP A 147 14.690 -8.031 -13.307 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.304 -10.944 -12.709 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.239 -9.975 -13.830 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.661 -10.536 -10.147 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.380 -9.255 -8.730 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.729 -7.710 -13.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.411 -7.263 -9.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.558 -6.122 -13.334 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.412 -5.901 -11.017 1.00 0.00 H new ATOM 112 N THR A 148 14.523 -9.327 -15.662 1.00 0.00 N ATOM 113 CA THR A 148 14.051 -9.640 -17.005 1.00 0.00 C ATOM 114 C THR A 148 15.148 -10.366 -17.779 1.00 0.00 C ATOM 115 O THR A 148 16.328 -10.256 -17.447 1.00 0.00 O ATOM 116 CB THR A 148 13.656 -8.347 -17.731 1.00 0.00 C ATOM 117 OG1 THR A 148 14.763 -7.472 -17.777 1.00 0.00 O ATOM 118 CG2 THR A 148 12.496 -7.663 -17.001 1.00 0.00 C ATOM 0 H THR A 148 15.491 -9.008 -15.626 1.00 0.00 H new ATOM 0 HA THR A 148 13.177 -10.288 -16.940 1.00 0.00 H new ATOM 0 HB THR A 148 13.342 -8.594 -18.745 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.855 -7.015 -16.915 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.225 -6.747 -17.526 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.637 -8.333 -16.974 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.799 -7.421 -15.982 1.00 0.00 H new ATOM 126 N GLU A 149 14.747 -11.105 -18.820 1.00 0.00 N ATOM 127 CA GLU A 149 15.676 -11.855 -19.654 1.00 0.00 C ATOM 128 C GLU A 149 16.724 -10.922 -20.265 1.00 0.00 C ATOM 129 O GLU A 149 17.835 -11.352 -20.560 1.00 0.00 O ATOM 130 CB GLU A 149 14.900 -12.578 -20.764 1.00 0.00 C ATOM 131 CG GLU A 149 13.747 -13.398 -20.167 1.00 0.00 C ATOM 132 CD GLU A 149 12.417 -12.664 -20.317 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.168 -11.760 -19.488 1.00 0.00 O ATOM 134 OE2 GLU A 149 11.677 -13.019 -21.258 1.00 0.00 O ATOM 0 H GLU A 149 13.771 -11.196 -19.102 1.00 0.00 H new ATOM 0 HA GLU A 149 16.192 -12.590 -19.036 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.507 -11.851 -21.474 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.572 -13.234 -21.318 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.690 -14.366 -20.664 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.942 -13.592 -19.112 1.00 0.00 H new ATOM 141 N GLU A 150 16.367 -9.645 -20.460 1.00 0.00 N ATOM 142 CA GLU A 150 17.277 -8.669 -21.036 1.00 0.00 C ATOM 143 C GLU A 150 18.364 -8.315 -20.018 1.00 0.00 C ATOM 144 O GLU A 150 19.550 -8.415 -20.322 1.00 0.00 O ATOM 145 CB GLU A 150 16.484 -7.422 -21.459 1.00 0.00 C ATOM 146 CG GLU A 150 17.104 -6.807 -22.721 1.00 0.00 C ATOM 147 CD GLU A 150 18.551 -6.388 -22.484 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.761 -5.566 -21.567 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.418 -6.900 -23.225 1.00 0.00 O ATOM 0 H GLU A 150 15.448 -9.271 -20.223 1.00 0.00 H new ATOM 0 HA GLU A 150 17.762 -9.086 -21.919 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.444 -7.689 -21.648 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.483 -6.690 -20.651 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.062 -7.528 -23.537 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.519 -5.941 -23.030 1.00 0.00 H new ATOM 156 N GLU A 151 17.955 -7.903 -18.809 1.00 0.00 N ATOM 157 CA GLU A 151 18.894 -7.524 -17.759 1.00 0.00 C ATOM 158 C GLU A 151 19.925 -8.631 -17.536 1.00 0.00 C ATOM 159 O GLU A 151 21.106 -8.343 -17.367 1.00 0.00 O ATOM 160 CB GLU A 151 18.132 -7.246 -16.464 1.00 0.00 C ATOM 161 CG GLU A 151 17.380 -5.916 -16.568 1.00 0.00 C ATOM 162 CD GLU A 151 16.469 -5.719 -15.362 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.420 -6.397 -15.330 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.839 -4.895 -14.493 1.00 0.00 O ATOM 0 H GLU A 151 16.974 -7.826 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 151 19.421 -6.621 -18.067 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.429 -8.055 -16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.826 -7.215 -15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.092 -5.093 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.789 -5.897 -17.484 1.00 0.00 H new ATOM 171 N ASP A 152 19.475 -9.893 -17.533 1.00 0.00 N ATOM 172 CA ASP A 152 20.361 -11.037 -17.327 1.00 0.00 C ATOM 173 C ASP A 152 21.574 -10.958 -18.263 1.00 0.00 C ATOM 174 O ASP A 152 22.681 -11.323 -17.870 1.00 0.00 O ATOM 175 CB ASP A 152 19.583 -12.338 -17.567 1.00 0.00 C ATOM 176 CG ASP A 152 18.655 -12.662 -16.397 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.230 -11.703 -15.718 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.389 -13.868 -16.206 1.00 0.00 O ATOM 0 H ASP A 152 18.496 -10.144 -17.672 1.00 0.00 H new ATOM 0 HA ASP A 152 20.726 -11.022 -16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.998 -12.249 -18.482 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.284 -13.160 -17.715 1.00 0.00 H new ATOM 183 N ARG A 153 21.366 -10.481 -19.498 1.00 0.00 N ATOM 184 CA ARG A 153 22.445 -10.362 -20.474 1.00 0.00 C ATOM 185 C ARG A 153 23.454 -9.317 -20.001 1.00 0.00 C ATOM 186 O ARG A 153 24.662 -9.534 -20.087 1.00 0.00 O ATOM 187 CB ARG A 153 21.874 -9.964 -21.842 1.00 0.00 C ATOM 188 CG ARG A 153 20.818 -10.980 -22.293 1.00 0.00 C ATOM 189 CD ARG A 153 20.111 -10.461 -23.548 1.00 0.00 C ATOM 190 NE ARG A 153 18.825 -11.144 -23.748 1.00 0.00 N ATOM 191 CZ ARG A 153 18.715 -12.384 -24.256 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.810 -13.070 -24.612 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.503 -12.935 -24.407 1.00 0.00 N ATOM 0 H ARG A 153 20.456 -10.172 -19.840 1.00 0.00 H new ATOM 0 HA ARG A 153 22.948 -11.324 -20.571 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.431 -8.970 -21.784 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.677 -9.912 -22.578 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.288 -11.941 -22.499 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.093 -11.144 -21.496 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.947 -9.387 -23.459 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.748 -10.615 -24.419 1.00 0.00 H new ATOM 0 HE ARG A 153 17.971 -10.651 -23.488 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.733 -12.652 -24.498 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.720 -14.010 -24.997 1.00 0.00 H new ATOM 0 HH21 ARG A 153 16.669 -12.414 -24.137 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.415 -13.875 -24.792 1.00 0.00 H new ATOM 207 N ILE A 154 22.953 -8.180 -19.501 1.00 0.00 N ATOM 208 CA ILE A 154 23.806 -7.101 -19.022 1.00 0.00 C ATOM 209 C ILE A 154 24.628 -7.590 -17.831 1.00 0.00 C ATOM 210 O ILE A 154 25.841 -7.376 -17.782 1.00 0.00 O ATOM 211 CB ILE A 154 22.942 -5.889 -18.625 1.00 0.00 C ATOM 212 CG1 ILE A 154 21.974 -5.502 -19.766 1.00 0.00 C ATOM 213 CG2 ILE A 154 23.850 -4.700 -18.286 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.722 -5.330 -21.095 1.00 0.00 C ATOM 0 H ILE A 154 21.954 -7.990 -19.420 1.00 0.00 H new ATOM 0 HA ILE A 154 24.487 -6.794 -19.815 1.00 0.00 H new ATOM 0 HB ILE A 154 22.348 -6.158 -17.751 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.209 -6.271 -19.873 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.461 -4.575 -19.512 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.238 -3.843 -18.005 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.504 -4.967 -17.455 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.455 -4.444 -19.156 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.014 -5.058 -21.878 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.470 -4.544 -20.992 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.214 -6.266 -21.360 1.00 0.00 H new ATOM 226 N ILE A 155 23.967 -8.252 -16.871 1.00 0.00 N ATOM 227 CA ILE A 155 24.644 -8.773 -15.693 1.00 0.00 C ATOM 228 C ILE A 155 25.712 -9.769 -16.131 1.00 0.00 C ATOM 229 O ILE A 155 26.840 -9.703 -15.664 1.00 0.00 O ATOM 230 CB ILE A 155 23.634 -9.446 -14.747 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.551 -8.441 -14.327 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.364 -9.953 -13.495 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.428 -9.173 -13.591 1.00 0.00 C ATOM 0 H ILE A 155 22.964 -8.435 -16.895 1.00 0.00 H new ATOM 0 HA ILE A 155 25.116 -7.952 -15.153 1.00 0.00 H new ATOM 0 HB ILE A 155 23.166 -10.282 -15.267 1.00 0.00 H new ATOM 0 HG12 ILE A 155 22.982 -7.675 -13.683 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.153 -7.932 -15.205 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.649 -10.430 -12.825 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.126 -10.676 -13.786 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.836 -9.114 -12.984 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.661 -8.458 -13.294 1.00 0.00 H new ATOM 0 HD12 ILE A 155 20.990 -9.923 -14.250 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.832 -9.661 -12.704 1.00 0.00 H new ATOM 245 N TYR A 156 25.349 -10.692 -17.033 1.00 0.00 N ATOM 246 CA TYR A 156 26.275 -11.701 -17.527 1.00 0.00 C ATOM 247 C TYR A 156 27.504 -11.039 -18.142 1.00 0.00 C ATOM 248 O TYR A 156 28.624 -11.434 -17.847 1.00 0.00 O ATOM 249 CB TYR A 156 25.570 -12.589 -18.556 1.00 0.00 C ATOM 250 CG TYR A 156 26.510 -13.557 -19.247 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.797 -14.801 -18.660 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.105 -13.206 -20.474 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.679 -15.692 -19.295 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.988 -14.097 -21.108 1.00 0.00 C ATOM 255 CZ TYR A 156 28.275 -15.339 -20.518 1.00 0.00 C ATOM 256 OH TYR A 156 29.136 -16.204 -21.133 1.00 0.00 O ATOM 0 H TYR A 156 24.413 -10.754 -17.433 1.00 0.00 H new ATOM 0 HA TYR A 156 26.605 -12.321 -16.693 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.778 -13.151 -18.061 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.092 -11.958 -19.305 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.339 -15.073 -17.720 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.883 -12.252 -20.928 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.899 -16.648 -18.843 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.446 -13.827 -22.048 1.00 0.00 H new ATOM 0 HH TYR A 156 29.089 -16.077 -22.104 1.00 0.00 H new ATOM 266 N GLN A 157 27.293 -10.038 -19.001 1.00 0.00 N ATOM 267 CA GLN A 157 28.387 -9.343 -19.665 1.00 0.00 C ATOM 268 C GLN A 157 29.362 -8.775 -18.629 1.00 0.00 C ATOM 269 O GLN A 157 30.567 -9.021 -18.706 1.00 0.00 O ATOM 270 CB GLN A 157 27.811 -8.230 -20.545 1.00 0.00 C ATOM 271 CG GLN A 157 28.917 -7.623 -21.414 1.00 0.00 C ATOM 272 CD GLN A 157 28.377 -6.477 -22.260 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.831 -5.343 -22.136 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.404 -6.772 -23.123 1.00 0.00 N ATOM 0 H GLN A 157 26.366 -9.693 -19.251 1.00 0.00 H new ATOM 0 HA GLN A 157 28.940 -10.042 -20.293 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.018 -8.629 -21.178 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.362 -7.457 -19.921 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.726 -7.262 -20.780 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.339 -8.391 -22.062 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.057 -7.729 -23.193 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.007 -6.041 -23.713 1.00 0.00 H new ATOM 283 N ALA A 158 28.839 -8.013 -17.664 1.00 0.00 N ATOM 284 CA ALA A 158 29.663 -7.399 -16.633 1.00 0.00 C ATOM 285 C ALA A 158 30.337 -8.474 -15.773 1.00 0.00 C ATOM 286 O ALA A 158 31.505 -8.340 -15.416 1.00 0.00 O ATOM 287 CB ALA A 158 28.788 -6.487 -15.773 1.00 0.00 C ATOM 0 H ALA A 158 27.843 -7.809 -17.580 1.00 0.00 H new ATOM 0 HA ALA A 158 30.449 -6.806 -17.100 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.398 -6.023 -14.998 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.345 -5.712 -16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.996 -7.075 -15.308 1.00 0.00 H new ATOM 293 N HIS A 159 29.594 -9.535 -15.444 1.00 0.00 N ATOM 294 CA HIS A 159 30.102 -10.622 -14.618 1.00 0.00 C ATOM 295 C HIS A 159 31.195 -11.393 -15.361 1.00 0.00 C ATOM 296 O HIS A 159 32.121 -11.904 -14.744 1.00 0.00 O ATOM 297 CB HIS A 159 28.940 -11.549 -14.248 1.00 0.00 C ATOM 298 CG HIS A 159 29.300 -12.532 -13.169 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.764 -13.813 -13.441 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.271 -12.451 -11.802 1.00 0.00 C ATOM 301 CE1 HIS A 159 29.979 -14.407 -12.250 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.697 -13.627 -11.208 1.00 0.00 N ATOM 0 H HIS A 159 28.627 -9.660 -15.744 1.00 0.00 H new ATOM 0 HA HIS A 159 30.543 -10.215 -13.708 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.093 -10.948 -13.918 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.618 -12.093 -15.136 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.913 -14.224 -14.363 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.954 -11.576 -11.254 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.345 -15.418 -12.150 1.00 0.00 H new ATOM 310 N LYS A 160 31.086 -11.474 -16.687 1.00 0.00 N ATOM 311 CA LYS A 160 32.065 -12.171 -17.503 1.00 0.00 C ATOM 312 C LYS A 160 33.356 -11.356 -17.558 1.00 0.00 C ATOM 313 O LYS A 160 34.448 -11.911 -17.464 1.00 0.00 O ATOM 314 CB LYS A 160 31.481 -12.375 -18.908 1.00 0.00 C ATOM 315 CG LYS A 160 32.358 -13.329 -19.723 1.00 0.00 C ATOM 316 CD LYS A 160 31.892 -13.313 -21.184 1.00 0.00 C ATOM 317 CE LYS A 160 32.540 -14.462 -21.962 1.00 0.00 C ATOM 318 NZ LYS A 160 31.917 -15.755 -21.624 1.00 0.00 N ATOM 0 H LYS A 160 30.320 -11.059 -17.218 1.00 0.00 H new ATOM 0 HA LYS A 160 32.297 -13.145 -17.072 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.470 -12.776 -18.833 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.406 -11.415 -19.419 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.403 -13.027 -19.658 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.292 -14.339 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.807 -13.402 -21.227 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.152 -12.360 -21.645 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.445 -14.279 -23.032 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.606 -14.500 -21.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.089 -16.435 -22.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.329 -16.119 -20.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.893 -15.625 -21.500 1.00 0.00 H new ATOM 332 N ARG A 161 33.219 -10.036 -17.716 1.00 0.00 N ATOM 333 CA ARG A 161 34.357 -9.135 -17.805 1.00 0.00 C ATOM 334 C ARG A 161 35.080 -9.032 -16.457 1.00 0.00 C ATOM 335 O ARG A 161 36.305 -9.125 -16.408 1.00 0.00 O ATOM 336 CB ARG A 161 33.855 -7.757 -18.260 1.00 0.00 C ATOM 337 CG ARG A 161 34.991 -6.729 -18.194 1.00 0.00 C ATOM 338 CD ARG A 161 34.542 -5.424 -18.860 1.00 0.00 C ATOM 339 NE ARG A 161 35.426 -4.308 -18.486 1.00 0.00 N ATOM 340 CZ ARG A 161 35.285 -3.597 -17.348 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.300 -3.883 -16.486 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.135 -2.598 -17.076 1.00 0.00 N ATOM 0 H ARG A 161 32.315 -9.569 -17.785 1.00 0.00 H new ATOM 0 HA ARG A 161 35.074 -9.523 -18.529 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.471 -7.820 -19.278 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.028 -7.436 -17.627 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.267 -6.543 -17.156 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.877 -7.119 -18.695 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.543 -5.546 -19.943 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.518 -5.195 -18.566 1.00 0.00 H new ATOM 0 HE ARG A 161 36.185 -4.059 -19.120 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.650 -4.643 -16.688 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.200 -3.341 -15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.887 -2.376 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.030 -2.059 -16.216 1.00 0.00 H new ATOM 356 N LEU A 162 34.323 -8.819 -15.373 1.00 0.00 N ATOM 357 CA LEU A 162 34.901 -8.624 -14.048 1.00 0.00 C ATOM 358 C LEU A 162 34.891 -9.921 -13.239 1.00 0.00 C ATOM 359 O LEU A 162 35.947 -10.455 -12.908 1.00 0.00 O ATOM 360 CB LEU A 162 34.100 -7.544 -13.307 1.00 0.00 C ATOM 361 CG LEU A 162 34.171 -6.203 -14.051 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.147 -5.242 -13.445 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.576 -5.604 -13.921 1.00 0.00 C ATOM 0 H LEU A 162 33.304 -8.778 -15.394 1.00 0.00 H new ATOM 0 HA LEU A 162 35.939 -8.311 -14.164 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.060 -7.857 -13.212 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.490 -7.425 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 162 33.951 -6.362 -15.107 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.191 -4.287 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.147 -5.665 -13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.372 -5.089 -12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.617 -4.653 -14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.806 -5.442 -12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.305 -6.291 -14.350 1.00 0.00 H new ATOM 375 N GLY A 163 33.691 -10.405 -12.905 1.00 0.00 N ATOM 376 CA GLY A 163 33.520 -11.581 -12.065 1.00 0.00 C ATOM 377 C GLY A 163 32.427 -11.289 -11.045 1.00 0.00 C ATOM 378 O GLY A 163 31.460 -10.602 -11.361 1.00 0.00 O ATOM 0 H GLY A 163 32.813 -9.987 -13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.251 -12.445 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.455 -11.825 -11.560 1.00 0.00 H new ATOM 382 N ASN A 164 32.584 -11.794 -9.816 1.00 0.00 N ATOM 383 CA ASN A 164 31.607 -11.563 -8.753 1.00 0.00 C ATOM 384 C ASN A 164 31.846 -10.190 -8.108 1.00 0.00 C ATOM 385 O ASN A 164 31.684 -10.036 -6.898 1.00 0.00 O ATOM 386 CB ASN A 164 31.719 -12.677 -7.703 1.00 0.00 C ATOM 387 CG ASN A 164 31.373 -14.039 -8.297 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.233 -14.484 -8.207 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.360 -14.705 -8.900 1.00 0.00 N ATOM 0 H ASN A 164 33.381 -12.366 -9.536 1.00 0.00 H new ATOM 0 HA ASN A 164 30.602 -11.575 -9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.732 -12.700 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.051 -12.462 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.181 -15.622 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.293 -14.297 -8.952 1.00 0.00 H new ATOM 396 N ARG A 165 32.233 -9.191 -8.917 1.00 0.00 N ATOM 397 CA ARG A 165 32.503 -7.851 -8.421 1.00 0.00 C ATOM 398 C ARG A 165 31.204 -7.063 -8.308 1.00 0.00 C ATOM 399 O ARG A 165 31.044 -6.055 -8.980 1.00 0.00 O ATOM 400 CB ARG A 165 33.445 -7.121 -9.384 1.00 0.00 C ATOM 401 CG ARG A 165 34.871 -7.659 -9.292 1.00 0.00 C ATOM 402 CD ARG A 165 35.819 -6.554 -9.763 1.00 0.00 C ATOM 403 NE ARG A 165 37.148 -7.071 -10.091 1.00 0.00 N ATOM 404 CZ ARG A 165 38.092 -6.314 -10.678 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.837 -5.028 -10.975 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.287 -6.843 -10.969 1.00 0.00 N ATOM 0 H ARG A 165 32.364 -9.297 -9.923 1.00 0.00 H new ATOM 0 HA ARG A 165 32.968 -7.930 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.079 -7.231 -10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.443 -6.055 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.104 -7.951 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.984 -8.549 -9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.395 -6.063 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.907 -5.797 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 165 37.367 -8.042 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.926 -4.625 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.554 -4.455 -11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.481 -7.819 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.004 -6.270 -11.414 1.00 0.00 H new ATOM 420 N TRP A 166 30.277 -7.501 -7.462 1.00 0.00 N ATOM 421 CA TRP A 166 29.020 -6.781 -7.294 1.00 0.00 C ATOM 422 C TRP A 166 29.308 -5.373 -6.776 1.00 0.00 C ATOM 423 O TRP A 166 28.605 -4.433 -7.116 1.00 0.00 O ATOM 424 CB TRP A 166 28.105 -7.538 -6.339 1.00 0.00 C ATOM 425 CG TRP A 166 28.160 -9.020 -6.480 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.679 -9.850 -5.577 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.710 -9.868 -7.578 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.596 -11.155 -5.996 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.997 -11.229 -7.240 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.091 -9.638 -8.829 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.686 -12.294 -8.087 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.777 -10.713 -9.689 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.074 -12.036 -9.317 1.00 0.00 C ATOM 0 H TRP A 166 30.370 -8.340 -6.889 1.00 0.00 H new ATOM 0 HA TRP A 166 28.512 -6.703 -8.255 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.369 -7.272 -5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.079 -7.208 -6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.109 -9.537 -4.637 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.930 -11.958 -5.463 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.856 -8.628 -9.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.916 -13.308 -7.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.305 -10.517 -10.640 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.830 -12.852 -9.981 1.00 0.00 H new ATOM 444 N ALA A 167 30.360 -5.231 -5.958 1.00 0.00 N ATOM 445 CA ALA A 167 30.754 -3.938 -5.416 1.00 0.00 C ATOM 446 C ALA A 167 31.117 -2.959 -6.545 1.00 0.00 C ATOM 447 O ALA A 167 31.214 -1.760 -6.304 1.00 0.00 O ATOM 448 CB ALA A 167 31.942 -4.133 -4.473 1.00 0.00 C ATOM 0 H ALA A 167 30.952 -6.006 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 167 29.917 -3.511 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.243 -3.169 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.655 -4.800 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.776 -4.569 -5.023 1.00 0.00 H new ATOM 454 N GLU A 168 31.313 -3.475 -7.772 1.00 0.00 N ATOM 455 CA GLU A 168 31.641 -2.657 -8.934 1.00 0.00 C ATOM 456 C GLU A 168 30.440 -2.631 -9.890 1.00 0.00 C ATOM 457 O GLU A 168 29.969 -1.563 -10.276 1.00 0.00 O ATOM 458 CB GLU A 168 32.882 -3.253 -9.620 1.00 0.00 C ATOM 459 CG GLU A 168 33.476 -2.250 -10.615 1.00 0.00 C ATOM 460 CD GLU A 168 34.660 -2.858 -11.369 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.451 -3.579 -10.714 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.753 -2.593 -12.588 1.00 0.00 O ATOM 0 H GLU A 168 31.246 -4.472 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 168 31.861 -1.632 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.628 -3.517 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.612 -4.173 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.709 -1.940 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.800 -1.355 -10.084 1.00 0.00 H new ATOM 469 N ILE A 169 29.953 -3.822 -10.261 1.00 0.00 N ATOM 470 CA ILE A 169 28.827 -3.979 -11.178 1.00 0.00 C ATOM 471 C ILE A 169 27.603 -3.230 -10.648 1.00 0.00 C ATOM 472 O ILE A 169 26.974 -2.463 -11.374 1.00 0.00 O ATOM 473 CB ILE A 169 28.498 -5.480 -11.325 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.729 -6.266 -11.814 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.352 -5.661 -12.327 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.610 -7.733 -11.383 1.00 0.00 C ATOM 0 H ILE A 169 30.335 -4.707 -9.928 1.00 0.00 H new ATOM 0 HA ILE A 169 29.095 -3.564 -12.150 1.00 0.00 H new ATOM 0 HB ILE A 169 28.203 -5.864 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.807 -6.201 -12.899 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.639 -5.829 -11.403 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.122 -6.722 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.469 -5.131 -11.970 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.649 -5.260 -13.296 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.482 -8.286 -11.731 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.554 -7.789 -10.296 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.709 -8.167 -11.816 1.00 0.00 H new ATOM 488 N ALA A 170 27.265 -3.471 -9.378 1.00 0.00 N ATOM 489 CA ALA A 170 26.098 -2.871 -8.753 1.00 0.00 C ATOM 490 C ALA A 170 26.187 -1.346 -8.769 1.00 0.00 C ATOM 491 O ALA A 170 25.170 -0.673 -8.888 1.00 0.00 O ATOM 492 CB ALA A 170 25.981 -3.391 -7.320 1.00 0.00 C ATOM 0 H ALA A 170 27.795 -4.087 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 170 25.208 -3.149 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.108 -2.947 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.874 -4.476 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.877 -3.122 -6.761 1.00 0.00 H new ATOM 498 N LYS A 171 27.403 -0.800 -8.645 1.00 0.00 N ATOM 499 CA LYS A 171 27.598 0.644 -8.633 1.00 0.00 C ATOM 500 C LYS A 171 27.512 1.190 -10.058 1.00 0.00 C ATOM 501 O LYS A 171 27.024 2.299 -10.262 1.00 0.00 O ATOM 502 CB LYS A 171 28.947 0.983 -7.985 1.00 0.00 C ATOM 503 CG LYS A 171 29.097 0.260 -6.633 1.00 0.00 C ATOM 504 CD LYS A 171 28.020 0.726 -5.640 1.00 0.00 C ATOM 505 CE LYS A 171 28.113 -0.096 -4.348 1.00 0.00 C ATOM 506 NZ LYS A 171 27.657 -1.482 -4.569 1.00 0.00 N ATOM 0 H LYS A 171 28.263 -1.341 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 171 26.812 1.115 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.760 0.692 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.025 2.060 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.019 -0.817 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.087 0.454 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.151 1.785 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.031 0.613 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.142 -0.101 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 171 27.507 0.371 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 27.342 -1.892 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 26.867 -1.484 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.441 -2.048 -4.952 1.00 0.00 H new ATOM 520 N LEU A 172 27.974 0.409 -11.046 1.00 0.00 N ATOM 521 CA LEU A 172 27.881 0.811 -12.442 1.00 0.00 C ATOM 522 C LEU A 172 26.404 0.894 -12.836 1.00 0.00 C ATOM 523 O LEU A 172 26.019 1.752 -13.628 1.00 0.00 O ATOM 524 CB LEU A 172 28.631 -0.193 -13.330 1.00 0.00 C ATOM 525 CG LEU A 172 30.149 0.023 -13.210 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.881 -1.237 -13.678 1.00 0.00 C ATOM 527 CD2 LEU A 172 30.581 1.208 -14.081 1.00 0.00 C ATOM 0 H LEU A 172 28.413 -0.500 -10.897 1.00 0.00 H new ATOM 0 HA LEU A 172 28.342 1.789 -12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 172 28.377 -1.211 -13.035 1.00 0.00 H new ATOM 0 HB3 LEU A 172 28.320 -0.075 -14.368 1.00 0.00 H new ATOM 0 HG LEU A 172 30.397 0.231 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.957 -1.085 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU A 172 30.584 -2.082 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.624 -1.442 -14.717 1.00 0.00 H new ATOM 0 HD21 LEU A 172 31.657 1.353 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 172 30.329 1.005 -15.122 1.00 0.00 H new ATOM 0 HD23 LEU A 172 30.064 2.109 -13.752 1.00 0.00 H new ATOM 539 N LEU A 173 25.577 0.005 -12.264 1.00 0.00 N ATOM 540 CA LEU A 173 24.142 0.010 -12.512 1.00 0.00 C ATOM 541 C LEU A 173 23.501 1.106 -11.649 1.00 0.00 C ATOM 542 O LEU A 173 24.020 1.422 -10.582 1.00 0.00 O ATOM 543 CB LEU A 173 23.560 -1.367 -12.165 1.00 0.00 C ATOM 544 CG LEU A 173 24.036 -2.422 -13.176 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.830 -3.818 -12.584 1.00 0.00 C ATOM 546 CD2 LEU A 173 23.236 -2.302 -14.478 1.00 0.00 C ATOM 0 H LEU A 173 25.888 -0.727 -11.625 1.00 0.00 H new ATOM 0 HA LEU A 173 23.935 0.215 -13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.866 -1.655 -11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.471 -1.319 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 173 25.093 -2.261 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.167 -4.569 -13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.404 -3.911 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.772 -3.970 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.581 -3.054 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 173 22.177 -2.458 -14.270 1.00 0.00 H new ATOM 0 HD23 LEU A 173 23.380 -1.309 -14.903 1.00 0.00 H new ATOM 558 N PRO A 174 22.377 1.701 -12.105 1.00 0.00 N ATOM 559 CA PRO A 174 21.720 2.775 -11.386 1.00 0.00 C ATOM 560 C PRO A 174 21.044 2.258 -10.101 1.00 0.00 C ATOM 561 O PRO A 174 21.684 2.184 -9.055 1.00 0.00 O ATOM 562 CB PRO A 174 20.715 3.367 -12.385 1.00 0.00 C ATOM 563 CG PRO A 174 20.535 2.311 -13.482 1.00 0.00 C ATOM 564 CD PRO A 174 21.724 1.356 -13.355 1.00 0.00 C ATOM 0 HA PRO A 174 22.423 3.534 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.766 3.589 -11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 174 21.085 4.303 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 174 19.592 1.778 -13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 174 20.512 2.774 -14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.393 0.318 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 174 22.407 1.468 -14.197 1.00 0.00 H new ATOM 572 N GLY A 175 19.748 1.916 -10.176 1.00 0.00 N ATOM 573 CA GLY A 175 18.991 1.475 -9.012 1.00 0.00 C ATOM 574 C GLY A 175 19.060 -0.038 -8.846 1.00 0.00 C ATOM 575 O GLY A 175 18.028 -0.705 -8.898 1.00 0.00 O ATOM 0 H GLY A 175 19.207 1.940 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.382 1.959 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.951 1.785 -9.114 1.00 0.00 H new ATOM 579 N ARG A 176 20.270 -0.577 -8.642 1.00 0.00 N ATOM 580 CA ARG A 176 20.466 -2.012 -8.441 1.00 0.00 C ATOM 581 C ARG A 176 21.530 -2.221 -7.364 1.00 0.00 C ATOM 582 O ARG A 176 22.673 -1.805 -7.537 1.00 0.00 O ATOM 583 CB ARG A 176 20.905 -2.677 -9.756 1.00 0.00 C ATOM 584 CG ARG A 176 19.820 -2.547 -10.837 1.00 0.00 C ATOM 585 CD ARG A 176 18.598 -3.403 -10.475 1.00 0.00 C ATOM 586 NE ARG A 176 17.689 -3.528 -11.624 1.00 0.00 N ATOM 587 CZ ARG A 176 16.773 -2.595 -11.949 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.625 -1.494 -11.196 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.008 -2.769 -13.031 1.00 0.00 N ATOM 0 H ARG A 176 21.132 -0.032 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 176 19.529 -2.468 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.829 -2.217 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.121 -3.731 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.523 -1.503 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.219 -2.861 -11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.924 -4.392 -10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.069 -2.953 -9.635 1.00 0.00 H new ATOM 0 HE ARG A 176 17.755 -4.364 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.208 -1.359 -10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.929 -0.793 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.119 -3.605 -13.605 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.313 -2.066 -13.282 1.00 0.00 H new ATOM 603 N THR A 177 21.153 -2.862 -6.251 1.00 0.00 N ATOM 604 CA THR A 177 22.072 -3.103 -5.147 1.00 0.00 C ATOM 605 C THR A 177 22.846 -4.401 -5.376 1.00 0.00 C ATOM 606 O THR A 177 22.347 -5.326 -6.020 1.00 0.00 O ATOM 607 CB THR A 177 21.285 -3.171 -3.834 1.00 0.00 C ATOM 608 OG1 THR A 177 20.282 -4.160 -3.933 1.00 0.00 O ATOM 609 CG2 THR A 177 20.635 -1.815 -3.546 1.00 0.00 C ATOM 0 H THR A 177 20.211 -3.222 -6.097 1.00 0.00 H new ATOM 0 HA THR A 177 22.789 -2.284 -5.090 1.00 0.00 H new ATOM 0 HB THR A 177 21.967 -3.423 -3.022 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.781 -4.203 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.077 -1.870 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.408 -1.051 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.956 -1.557 -4.359 1.00 0.00 H new ATOM 617 N ASP A 178 24.070 -4.463 -4.835 1.00 0.00 N ATOM 618 CA ASP A 178 24.917 -5.644 -4.949 1.00 0.00 C ATOM 619 C ASP A 178 24.201 -6.861 -4.369 1.00 0.00 C ATOM 620 O ASP A 178 24.230 -7.933 -4.963 1.00 0.00 O ATOM 621 CB ASP A 178 26.259 -5.399 -4.233 1.00 0.00 C ATOM 622 CG ASP A 178 26.100 -4.493 -3.014 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.310 -4.867 -2.122 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.771 -3.436 -3.004 1.00 0.00 O ATOM 0 H ASP A 178 24.493 -3.698 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 178 25.121 -5.840 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.684 -6.354 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.965 -4.948 -4.930 1.00 0.00 H new ATOM 629 N ASN A 179 23.557 -6.690 -3.212 1.00 0.00 N ATOM 630 CA ASN A 179 22.825 -7.767 -2.565 1.00 0.00 C ATOM 631 C ASN A 179 21.760 -8.335 -3.508 1.00 0.00 C ATOM 632 O ASN A 179 21.656 -9.551 -3.663 1.00 0.00 O ATOM 633 CB ASN A 179 22.178 -7.235 -1.284 1.00 0.00 C ATOM 634 CG ASN A 179 21.354 -8.321 -0.602 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.130 -8.329 -0.702 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.026 -9.239 0.091 1.00 0.00 N ATOM 0 H ASN A 179 23.532 -5.805 -2.705 1.00 0.00 H new ATOM 0 HA ASN A 179 23.515 -8.573 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.950 -6.877 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.541 -6.383 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.523 -9.989 0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.043 -9.192 0.146 1.00 0.00 H new ATOM 643 N ALA A 180 20.968 -7.452 -4.133 1.00 0.00 N ATOM 644 CA ALA A 180 19.901 -7.871 -5.033 1.00 0.00 C ATOM 645 C ALA A 180 20.472 -8.639 -6.225 1.00 0.00 C ATOM 646 O ALA A 180 19.987 -9.721 -6.551 1.00 0.00 O ATOM 647 CB ALA A 180 19.123 -6.643 -5.508 1.00 0.00 C ATOM 0 H ALA A 180 21.052 -6.441 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 180 19.225 -8.537 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.325 -6.956 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.692 -6.130 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.797 -5.966 -6.034 1.00 0.00 H new ATOM 653 N ILE A 181 21.498 -8.078 -6.878 1.00 0.00 N ATOM 654 CA ILE A 181 22.112 -8.709 -8.041 1.00 0.00 C ATOM 655 C ILE A 181 22.673 -10.078 -7.655 1.00 0.00 C ATOM 656 O ILE A 181 22.379 -11.074 -8.312 1.00 0.00 O ATOM 657 CB ILE A 181 23.225 -7.804 -8.595 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.621 -6.495 -9.123 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.945 -8.522 -9.743 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.685 -5.398 -9.124 1.00 0.00 C ATOM 0 H ILE A 181 21.917 -7.186 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 181 21.359 -8.850 -8.816 1.00 0.00 H new ATOM 0 HB ILE A 181 23.932 -7.581 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.236 -6.642 -10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.778 -6.196 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.734 -7.880 -10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.382 -9.450 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.232 -8.747 -10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.252 -4.471 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.049 -5.243 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.515 -5.696 -9.765 1.00 0.00 H new ATOM 672 N LYS A 182 23.484 -10.120 -6.592 1.00 0.00 N ATOM 673 CA LYS A 182 24.100 -11.353 -6.127 1.00 0.00 C ATOM 674 C LYS A 182 23.029 -12.409 -5.853 1.00 0.00 C ATOM 675 O LYS A 182 23.162 -13.553 -6.291 1.00 0.00 O ATOM 676 CB LYS A 182 24.915 -11.061 -4.863 1.00 0.00 C ATOM 677 CG LYS A 182 25.671 -12.319 -4.424 1.00 0.00 C ATOM 678 CD LYS A 182 26.508 -12.005 -3.182 1.00 0.00 C ATOM 679 CE LYS A 182 27.305 -13.246 -2.772 1.00 0.00 C ATOM 680 NZ LYS A 182 28.093 -12.990 -1.552 1.00 0.00 N ATOM 0 H LYS A 182 23.727 -9.300 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 182 24.766 -11.744 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.620 -10.251 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.254 -10.727 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.967 -13.122 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.315 -12.669 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.186 -11.177 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.860 -11.690 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.624 -14.080 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.970 -13.540 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.624 -13.847 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.758 -12.210 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.453 -12.733 -0.773 1.00 0.00 H new ATOM 694 N ASN A 183 21.971 -12.026 -5.127 1.00 0.00 N ATOM 695 CA ASN A 183 20.891 -12.942 -4.797 1.00 0.00 C ATOM 696 C ASN A 183 20.274 -13.501 -6.074 1.00 0.00 C ATOM 697 O ASN A 183 20.240 -14.709 -6.262 1.00 0.00 O ATOM 698 CB ASN A 183 19.832 -12.214 -3.964 1.00 0.00 C ATOM 699 CG ASN A 183 18.644 -13.131 -3.684 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.668 -13.138 -4.435 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.727 -13.908 -2.605 1.00 0.00 N ATOM 0 H ASN A 183 21.847 -11.083 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 183 21.288 -13.772 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.269 -11.879 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.494 -11.323 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.962 -14.542 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.555 -13.869 -2.011 1.00 0.00 H new ATOM 708 N HIS A 184 19.785 -12.613 -6.947 1.00 0.00 N ATOM 709 CA HIS A 184 19.154 -13.011 -8.200 1.00 0.00 C ATOM 710 C HIS A 184 20.063 -13.957 -8.985 1.00 0.00 C ATOM 711 O HIS A 184 19.611 -14.998 -9.462 1.00 0.00 O ATOM 712 CB HIS A 184 18.836 -11.751 -9.014 1.00 0.00 C ATOM 713 CG HIS A 184 18.872 -11.979 -10.503 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.865 -12.646 -11.191 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.789 -11.637 -11.466 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.229 -12.664 -12.490 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.397 -12.064 -12.723 1.00 0.00 N ATOM 0 H HIS A 184 19.818 -11.604 -6.801 1.00 0.00 H new ATOM 0 HA HIS A 184 18.229 -13.548 -7.991 1.00 0.00 H new ATOM 0 HB2 HIS A 184 17.848 -11.385 -8.733 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.551 -10.970 -8.756 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.705 -11.100 -11.267 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.632 -13.120 -13.266 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.884 -11.948 -13.612 1.00 0.00 H new ATOM 725 N TRP A 185 21.338 -13.593 -9.122 1.00 0.00 N ATOM 726 CA TRP A 185 22.291 -14.394 -9.865 1.00 0.00 C ATOM 727 C TRP A 185 22.374 -15.804 -9.277 1.00 0.00 C ATOM 728 O TRP A 185 22.164 -16.779 -9.982 1.00 0.00 O ATOM 729 CB TRP A 185 23.655 -13.705 -9.846 1.00 0.00 C ATOM 730 CG TRP A 185 24.723 -14.405 -10.629 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.527 -15.367 -10.159 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.128 -14.212 -12.018 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.413 -15.789 -11.119 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.213 -15.104 -12.301 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.698 -13.378 -13.073 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.833 -15.158 -13.549 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.322 -13.431 -14.338 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.387 -14.319 -14.574 1.00 0.00 C ATOM 0 H TRP A 185 21.730 -12.740 -8.722 1.00 0.00 H new ATOM 0 HA TRP A 185 21.962 -14.487 -10.900 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.541 -12.694 -10.237 1.00 0.00 H new ATOM 0 HB3 TRP A 185 23.985 -13.611 -8.811 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.484 -15.760 -9.154 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.121 -16.509 -10.978 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.881 -12.691 -12.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.651 -15.842 -13.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.979 -12.784 -15.132 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.859 -14.352 -15.545 1.00 0.00 H new ATOM 749 N ASN A 186 22.682 -15.914 -7.985 1.00 0.00 N ATOM 750 CA ASN A 186 22.819 -17.216 -7.339 1.00 0.00 C ATOM 751 C ASN A 186 21.471 -17.946 -7.269 1.00 0.00 C ATOM 752 O ASN A 186 21.442 -19.168 -7.135 1.00 0.00 O ATOM 753 CB ASN A 186 23.402 -17.030 -5.934 1.00 0.00 C ATOM 754 CG ASN A 186 24.903 -16.760 -5.999 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.706 -17.672 -5.822 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.280 -15.507 -6.253 1.00 0.00 N ATOM 0 H ASN A 186 22.841 -15.118 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 186 23.495 -17.830 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.901 -16.201 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.214 -17.922 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.272 -15.274 -6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.577 -14.781 -6.393 1.00 0.00 H new ATOM 763 N SER A 187 20.361 -17.204 -7.351 1.00 0.00 N ATOM 764 CA SER A 187 19.028 -17.786 -7.265 1.00 0.00 C ATOM 765 C SER A 187 18.673 -18.558 -8.540 1.00 0.00 C ATOM 766 O SER A 187 17.851 -19.472 -8.484 1.00 0.00 O ATOM 767 CB SER A 187 18.007 -16.670 -7.014 1.00 0.00 C ATOM 768 OG SER A 187 16.727 -17.226 -6.789 1.00 0.00 O ATOM 0 H SER A 187 20.366 -16.192 -7.478 1.00 0.00 H new ATOM 0 HA SER A 187 19.008 -18.495 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.311 -16.075 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.974 -15.997 -7.870 1.00 0.00 H new ATOM 0 HG SER A 187 16.081 -16.506 -6.628 1.00 0.00 H new ATOM 774 N THR A 188 19.270 -18.196 -9.690 1.00 0.00 N ATOM 775 CA THR A 188 18.953 -18.863 -10.953 1.00 0.00 C ATOM 776 C THR A 188 20.131 -18.784 -11.928 1.00 0.00 C ATOM 777 O THR A 188 20.544 -19.804 -12.483 1.00 0.00 O ATOM 778 CB THR A 188 17.702 -18.214 -11.569 1.00 0.00 C ATOM 779 OG1 THR A 188 16.657 -18.191 -10.617 1.00 0.00 O ATOM 780 CG2 THR A 188 17.248 -19.014 -12.792 1.00 0.00 C ATOM 0 H THR A 188 19.966 -17.454 -9.765 1.00 0.00 H new ATOM 0 HA THR A 188 18.757 -19.917 -10.756 1.00 0.00 H new ATOM 0 HB THR A 188 17.946 -17.195 -11.870 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.863 -17.775 -11.013 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.362 -18.548 -13.223 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.047 -19.029 -13.534 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.012 -20.035 -12.492 1.00 0.00 H new ATOM 788 N MET A 189 20.663 -17.576 -12.144 1.00 0.00 N ATOM 789 CA MET A 189 21.754 -17.356 -13.090 1.00 0.00 C ATOM 790 C MET A 189 23.105 -17.768 -12.481 1.00 0.00 C ATOM 791 O MET A 189 24.118 -17.115 -12.713 1.00 0.00 O ATOM 792 CB MET A 189 21.756 -15.867 -13.492 1.00 0.00 C ATOM 793 CG MET A 189 21.000 -15.677 -14.811 1.00 0.00 C ATOM 794 SD MET A 189 21.810 -16.431 -16.250 1.00 0.00 S ATOM 795 CE MET A 189 23.409 -15.583 -16.175 1.00 0.00 C ATOM 0 H MET A 189 20.349 -16.730 -11.669 1.00 0.00 H new ATOM 0 HA MET A 189 21.604 -17.974 -13.975 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.291 -15.270 -12.708 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.781 -15.512 -13.597 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.001 -16.100 -14.708 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.877 -14.610 -14.996 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.920 -15.685 -17.132 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.251 -14.526 -15.959 1.00 0.00 H new ATOM 0 HE3 MET A 189 24.019 -16.026 -15.388 1.00 0.00 H new ATOM 805 N ARG A 190 23.126 -18.858 -11.706 1.00 0.00 N ATOM 806 CA ARG A 190 24.350 -19.330 -11.082 1.00 0.00 C ATOM 807 C ARG A 190 25.159 -20.137 -12.101 1.00 0.00 C ATOM 808 O ARG A 190 25.364 -21.337 -11.931 1.00 0.00 O ATOM 809 CB ARG A 190 23.994 -20.162 -9.843 1.00 0.00 C ATOM 810 CG ARG A 190 25.200 -20.229 -8.901 1.00 0.00 C ATOM 811 CD ARG A 190 24.773 -20.829 -7.560 1.00 0.00 C ATOM 812 NE ARG A 190 25.847 -20.700 -6.568 1.00 0.00 N ATOM 813 CZ ARG A 190 25.667 -20.923 -5.255 1.00 0.00 C ATOM 814 NH1 ARG A 190 24.472 -21.319 -4.796 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.687 -20.750 -4.404 1.00 0.00 N ATOM 0 H ARG A 190 22.304 -19.425 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 190 24.966 -18.491 -10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.142 -19.718 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.697 -21.168 -10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.989 -20.835 -9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.611 -19.231 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.876 -20.325 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.517 -21.880 -7.691 1.00 0.00 H new ATOM 0 HE ARG A 190 26.775 -20.428 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.695 -21.452 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 190 24.339 -21.487 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.597 -20.450 -4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 190 26.553 -20.918 -3.407 1.00 0.00 H new