USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 353 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= -1.68 X(o=-0.76,f=-0.58) USER MOD Set 1.2: A 187 SER OG : rot -94:sc= 0.427 USER MOD Set 1.3: A 188 THR OG1 : rot 80:sc= 0.498 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -1.04 X(o=-0.75,f=-0.74) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.293 X(o=-0.75,f=-1.2) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 1.01 K(o=1,f=-6.2!) USER MOD Single : A 160 LYS NZ :NH3+ 161:sc= 0.752 (180deg=0.497) USER MOD Single : A 171 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.13) 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= 1.05 K(o=1,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.974 -11.121 -12.697 1.00 0.00 N ATOM 121 CA TRP A 147 13.805 -10.053 -13.236 1.00 0.00 C ATOM 122 C TRP A 147 13.476 -9.798 -14.710 1.00 0.00 C ATOM 123 O TRP A 147 12.707 -10.544 -15.327 1.00 0.00 O ATOM 124 CB TRP A 147 15.278 -10.445 -13.082 1.00 0.00 C ATOM 125 CG TRP A 147 15.887 -10.107 -11.757 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.302 -10.244 -10.553 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.213 -9.575 -11.479 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.142 -9.836 -9.547 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.348 -9.407 -10.062 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.324 -9.217 -12.273 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.512 -8.907 -9.477 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.501 -8.714 -11.684 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.590 -8.557 -10.291 1.00 0.00 C ATOM 0 HA TRP A 147 13.608 -9.133 -12.686 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.372 -11.519 -13.245 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.853 -9.952 -13.866 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.303 -10.625 -10.399 1.00 0.00 H new ATOM 0 HE1 TRP A 147 15.907 -9.848 -8.555 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.271 -9.330 -13.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.578 -8.792 -8.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.341 -8.447 -12.308 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.494 -8.165 -9.849 1.00 0.00 H new ATOM 144 N THR A 148 14.077 -8.736 -15.264 1.00 0.00 N ATOM 145 CA THR A 148 13.901 -8.359 -16.659 1.00 0.00 C ATOM 146 C THR A 148 15.149 -8.756 -17.448 1.00 0.00 C ATOM 147 O THR A 148 16.263 -8.626 -16.946 1.00 0.00 O ATOM 148 CB THR A 148 13.671 -6.847 -16.740 1.00 0.00 C ATOM 149 OG1 THR A 148 14.638 -6.180 -15.956 1.00 0.00 O ATOM 150 CG2 THR A 148 12.273 -6.507 -16.218 1.00 0.00 C ATOM 0 H THR A 148 14.701 -8.116 -14.748 1.00 0.00 H new ATOM 0 HA THR A 148 13.039 -8.872 -17.085 1.00 0.00 H new ATOM 0 HB THR A 148 13.757 -6.527 -17.778 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.492 -5.212 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.114 -5.430 -16.278 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.524 -7.018 -16.823 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.183 -6.830 -15.181 1.00 0.00 H new ATOM 158 N GLU A 149 14.952 -9.236 -18.684 1.00 0.00 N ATOM 159 CA GLU A 149 16.046 -9.676 -19.548 1.00 0.00 C ATOM 160 C GLU A 149 17.138 -8.604 -19.641 1.00 0.00 C ATOM 161 O GLU A 149 18.318 -8.924 -19.608 1.00 0.00 O ATOM 162 CB GLU A 149 15.481 -9.988 -20.941 1.00 0.00 C ATOM 163 CG GLU A 149 16.500 -10.781 -21.772 1.00 0.00 C ATOM 164 CD GLU A 149 16.693 -12.197 -21.230 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.752 -12.689 -20.567 1.00 0.00 O ATOM 166 OE2 GLU A 149 17.778 -12.758 -21.494 1.00 0.00 O ATOM 0 H GLU A 149 14.029 -9.328 -19.109 1.00 0.00 H new ATOM 0 HA GLU A 149 16.500 -10.572 -19.124 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.558 -10.560 -20.845 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.229 -9.060 -21.454 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.165 -10.831 -22.808 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.456 -10.258 -21.771 1.00 0.00 H new ATOM 173 N GLU A 150 16.738 -7.337 -19.770 1.00 0.00 N ATOM 174 CA GLU A 150 17.684 -6.238 -19.903 1.00 0.00 C ATOM 175 C GLU A 150 18.718 -6.263 -18.769 1.00 0.00 C ATOM 176 O GLU A 150 19.920 -6.303 -19.028 1.00 0.00 O ATOM 177 CB GLU A 150 16.908 -4.914 -19.911 1.00 0.00 C ATOM 178 CG GLU A 150 17.853 -3.757 -20.244 1.00 0.00 C ATOM 179 CD GLU A 150 17.071 -2.468 -20.461 1.00 0.00 C ATOM 180 OE1 GLU A 150 16.316 -2.423 -21.457 1.00 0.00 O ATOM 181 OE2 GLU A 150 17.240 -1.553 -19.628 1.00 0.00 O ATOM 0 H GLU A 150 15.759 -7.051 -19.785 1.00 0.00 H new ATOM 0 HA GLU A 150 18.231 -6.342 -20.840 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.102 -4.959 -20.644 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.445 -4.748 -18.938 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.569 -3.621 -19.434 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.426 -3.996 -21.140 1.00 0.00 H new ATOM 188 N GLU A 151 18.250 -6.234 -17.517 1.00 0.00 N ATOM 189 CA GLU A 151 19.130 -6.206 -16.352 1.00 0.00 C ATOM 190 C GLU A 151 19.470 -7.620 -15.857 1.00 0.00 C ATOM 191 O GLU A 151 19.869 -7.776 -14.707 1.00 0.00 O ATOM 192 CB GLU A 151 18.456 -5.394 -15.244 1.00 0.00 C ATOM 193 CG GLU A 151 18.134 -3.984 -15.757 1.00 0.00 C ATOM 194 CD GLU A 151 17.743 -3.068 -14.607 1.00 0.00 C ATOM 195 OE1 GLU A 151 18.671 -2.562 -13.941 1.00 0.00 O ATOM 196 OE2 GLU A 151 16.521 -2.897 -14.404 1.00 0.00 O ATOM 0 H GLU A 151 17.256 -6.229 -17.287 1.00 0.00 H new ATOM 0 HA GLU A 151 20.072 -5.737 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.541 -5.891 -14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.111 -5.334 -14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.000 -3.574 -16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.321 -4.032 -16.482 1.00 0.00 H new ATOM 203 N ASP A 152 19.318 -8.643 -16.717 1.00 0.00 N ATOM 204 CA ASP A 152 19.624 -10.027 -16.340 1.00 0.00 C ATOM 205 C ASP A 152 20.636 -10.621 -17.320 1.00 0.00 C ATOM 206 O ASP A 152 21.658 -11.160 -16.911 1.00 0.00 O ATOM 207 CB ASP A 152 18.334 -10.850 -16.322 1.00 0.00 C ATOM 208 CG ASP A 152 18.611 -12.288 -15.903 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.475 -12.466 -15.016 1.00 0.00 O ATOM 210 OD2 ASP A 152 17.953 -13.183 -16.474 1.00 0.00 O ATOM 0 H ASP A 152 18.986 -8.534 -17.675 1.00 0.00 H new ATOM 0 HA ASP A 152 20.063 -10.046 -15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.619 -10.398 -15.634 1.00 0.00 H new ATOM 0 HB3 ASP A 152 17.876 -10.837 -17.311 1.00 0.00 H new ATOM 215 N ARG A 153 20.348 -10.513 -18.617 1.00 0.00 N ATOM 216 CA ARG A 153 21.232 -11.018 -19.655 1.00 0.00 C ATOM 217 C ARG A 153 22.629 -10.410 -19.493 1.00 0.00 C ATOM 218 O ARG A 153 23.637 -11.099 -19.651 1.00 0.00 O ATOM 219 CB ARG A 153 20.638 -10.665 -21.021 1.00 0.00 C ATOM 220 CG ARG A 153 21.412 -11.380 -22.131 1.00 0.00 C ATOM 221 CD ARG A 153 20.685 -11.180 -23.462 1.00 0.00 C ATOM 222 NE ARG A 153 21.384 -11.870 -24.553 1.00 0.00 N ATOM 223 CZ ARG A 153 20.925 -11.895 -25.816 1.00 0.00 C ATOM 224 NH1 ARG A 153 19.777 -11.275 -26.126 1.00 0.00 N ATOM 225 NH2 ARG A 153 21.614 -12.540 -26.765 1.00 0.00 N ATOM 0 H ARG A 153 19.498 -10.074 -18.972 1.00 0.00 H new ATOM 0 HA ARG A 153 21.326 -12.101 -19.574 1.00 0.00 H new ATOM 0 HB2 ARG A 153 19.588 -10.954 -21.055 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.677 -9.587 -21.176 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.426 -10.986 -22.195 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.496 -12.443 -21.905 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.665 -11.557 -23.383 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.615 -10.116 -23.686 1.00 0.00 H new ATOM 0 HE ARG A 153 22.258 -12.352 -24.343 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.251 -10.784 -25.403 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.430 -11.295 -27.085 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.487 -13.012 -26.530 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.266 -12.559 -27.724 1.00 0.00 H new ATOM 239 N ILE A 154 22.677 -9.109 -19.172 1.00 0.00 N ATOM 240 CA ILE A 154 23.932 -8.392 -18.988 1.00 0.00 C ATOM 241 C ILE A 154 24.641 -8.887 -17.725 1.00 0.00 C ATOM 242 O ILE A 154 25.865 -8.859 -17.659 1.00 0.00 O ATOM 243 CB ILE A 154 23.640 -6.885 -18.882 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.904 -6.384 -20.141 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.951 -6.111 -18.696 1.00 0.00 C ATOM 246 CD1 ILE A 154 23.844 -6.341 -21.354 1.00 0.00 C ATOM 0 H ILE A 154 21.847 -8.533 -19.035 1.00 0.00 H new ATOM 0 HA ILE A 154 24.585 -8.574 -19.841 1.00 0.00 H new ATOM 0 HB ILE A 154 22.998 -6.715 -18.017 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.059 -7.038 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.498 -5.389 -19.957 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.737 -5.045 -18.622 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.445 -6.446 -17.784 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.604 -6.291 -19.550 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.296 -5.984 -22.226 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.675 -5.667 -21.146 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.229 -7.341 -21.552 1.00 0.00 H new ATOM 258 N LEU A 155 23.867 -9.328 -16.725 1.00 0.00 N ATOM 259 CA LEU A 155 24.414 -9.803 -15.456 1.00 0.00 C ATOM 260 C LEU A 155 25.528 -10.828 -15.695 1.00 0.00 C ATOM 261 O LEU A 155 26.593 -10.734 -15.091 1.00 0.00 O ATOM 262 CB LEU A 155 23.273 -10.414 -14.621 1.00 0.00 C ATOM 263 CG LEU A 155 23.639 -10.486 -13.126 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.968 -9.085 -12.596 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.443 -11.052 -12.355 1.00 0.00 C ATOM 0 H LEU A 155 22.849 -9.364 -16.776 1.00 0.00 H new ATOM 0 HA LEU A 155 24.852 -8.967 -14.911 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.370 -9.817 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 155 23.047 -11.415 -14.989 1.00 0.00 H new ATOM 0 HG LEU A 155 24.511 -11.127 -12.995 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.225 -9.147 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.812 -8.675 -13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.101 -8.436 -12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.688 -11.109 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.580 -10.401 -12.494 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.209 -12.049 -12.727 1.00 0.00 H new ATOM 277 N TYR A 156 25.279 -11.805 -16.578 1.00 0.00 N ATOM 278 CA TYR A 156 26.254 -12.851 -16.874 1.00 0.00 C ATOM 279 C TYR A 156 27.511 -12.244 -17.503 1.00 0.00 C ATOM 280 O TYR A 156 28.628 -12.607 -17.135 1.00 0.00 O ATOM 281 CB TYR A 156 25.614 -13.892 -17.809 1.00 0.00 C ATOM 282 CG TYR A 156 26.010 -15.333 -17.524 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.339 -15.667 -17.195 1.00 0.00 C ATOM 284 CD2 TYR A 156 25.034 -16.345 -17.593 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.685 -17.003 -16.932 1.00 0.00 C ATOM 286 CE2 TYR A 156 25.383 -17.679 -17.329 1.00 0.00 C ATOM 287 CZ TYR A 156 26.706 -18.009 -16.998 1.00 0.00 C ATOM 288 OH TYR A 156 27.042 -19.306 -16.743 1.00 0.00 O ATOM 0 H TYR A 156 24.406 -11.888 -17.099 1.00 0.00 H new ATOM 0 HA TYR A 156 26.552 -13.345 -15.949 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.530 -13.807 -17.737 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.885 -13.652 -18.837 1.00 0.00 H new ATOM 0 HD1 TYR A 156 28.093 -14.895 -17.145 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.015 -16.095 -17.849 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.704 -17.257 -16.679 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.631 -18.453 -17.381 1.00 0.00 H new ATOM 0 HH TYR A 156 26.248 -19.873 -16.831 1.00 0.00 H new ATOM 298 N GLN A 157 27.337 -11.321 -18.454 1.00 0.00 N ATOM 299 CA GLN A 157 28.466 -10.679 -19.107 1.00 0.00 C ATOM 300 C GLN A 157 29.305 -9.945 -18.064 1.00 0.00 C ATOM 301 O GLN A 157 30.508 -10.157 -17.970 1.00 0.00 O ATOM 302 CB GLN A 157 27.957 -9.704 -20.175 1.00 0.00 C ATOM 303 CG GLN A 157 29.130 -9.202 -21.027 1.00 0.00 C ATOM 304 CD GLN A 157 28.889 -7.774 -21.503 1.00 0.00 C ATOM 305 OE1 GLN A 157 29.708 -6.892 -21.260 1.00 0.00 O ATOM 306 NE2 GLN A 157 27.765 -7.549 -22.181 1.00 0.00 N ATOM 0 H GLN A 157 26.424 -11.007 -18.783 1.00 0.00 H new ATOM 0 HA GLN A 157 29.089 -11.431 -19.592 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.221 -10.198 -20.809 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.454 -8.861 -19.700 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.051 -9.244 -20.445 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.266 -9.858 -21.887 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.115 -8.314 -22.358 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.555 -6.611 -22.523 1.00 0.00 H new ATOM 315 N ALA A 158 28.655 -9.079 -17.286 1.00 0.00 N ATOM 316 CA ALA A 158 29.320 -8.288 -16.268 1.00 0.00 C ATOM 317 C ALA A 158 30.029 -9.183 -15.253 1.00 0.00 C ATOM 318 O ALA A 158 31.127 -8.861 -14.812 1.00 0.00 O ATOM 319 CB ALA A 158 28.277 -7.417 -15.569 1.00 0.00 C ATOM 0 H ALA A 158 27.651 -8.911 -17.350 1.00 0.00 H new ATOM 0 HA ALA A 158 30.077 -7.660 -16.738 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.762 -6.816 -14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.804 -6.760 -16.299 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.521 -8.053 -15.109 1.00 0.00 H new ATOM 325 N HIS A 159 29.399 -10.301 -14.876 1.00 0.00 N ATOM 326 CA HIS A 159 29.954 -11.200 -13.875 1.00 0.00 C ATOM 327 C HIS A 159 31.342 -11.706 -14.278 1.00 0.00 C ATOM 328 O HIS A 159 32.215 -11.819 -13.429 1.00 0.00 O ATOM 329 CB HIS A 159 29.003 -12.377 -13.656 1.00 0.00 C ATOM 330 CG HIS A 159 29.395 -13.192 -12.456 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.660 -14.554 -12.520 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.588 -12.856 -11.142 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.982 -14.946 -11.270 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.957 -13.954 -10.379 1.00 0.00 N ATOM 0 H HIS A 159 28.500 -10.600 -15.255 1.00 0.00 H new ATOM 0 HA HIS A 159 30.066 -10.644 -12.944 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.987 -12.005 -13.527 1.00 0.00 H new ATOM 0 HB3 HIS A 159 29.000 -13.012 -14.542 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.467 -11.858 -10.748 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.235 -15.965 -11.015 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.160 -13.993 -9.380 1.00 0.00 H new ATOM 342 N LYS A 160 31.549 -12.021 -15.563 1.00 0.00 N ATOM 343 CA LYS A 160 32.841 -12.530 -16.022 1.00 0.00 C ATOM 344 C LYS A 160 33.749 -11.378 -16.474 1.00 0.00 C ATOM 345 O LYS A 160 34.967 -11.473 -16.363 1.00 0.00 O ATOM 346 CB LYS A 160 32.634 -13.562 -17.147 1.00 0.00 C ATOM 347 CG LYS A 160 31.991 -12.912 -18.382 1.00 0.00 C ATOM 348 CD LYS A 160 31.913 -13.930 -19.532 1.00 0.00 C ATOM 349 CE LYS A 160 30.773 -14.932 -19.296 1.00 0.00 C ATOM 350 NZ LYS A 160 29.457 -14.271 -19.347 1.00 0.00 N ATOM 0 H LYS A 160 30.844 -11.932 -16.295 1.00 0.00 H new ATOM 0 HA LYS A 160 33.339 -13.031 -15.192 1.00 0.00 H new ATOM 0 HB2 LYS A 160 33.592 -14.003 -17.422 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.001 -14.374 -16.788 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.992 -12.553 -18.135 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.574 -12.045 -18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.755 -13.408 -20.476 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.860 -14.463 -19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.816 -15.719 -20.049 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.903 -15.412 -18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 28.717 -14.984 -19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.279 -13.783 -18.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.446 -13.579 -20.124 1.00 0.00 H new ATOM 364 N ARG A 161 33.148 -10.299 -16.990 1.00 0.00 N ATOM 365 CA ARG A 161 33.894 -9.155 -17.492 1.00 0.00 C ATOM 366 C ARG A 161 34.554 -8.401 -16.332 1.00 0.00 C ATOM 367 O ARG A 161 35.761 -8.171 -16.351 1.00 0.00 O ATOM 368 CB ARG A 161 32.930 -8.254 -18.274 1.00 0.00 C ATOM 369 CG ARG A 161 33.702 -7.222 -19.098 1.00 0.00 C ATOM 370 CD ARG A 161 32.712 -6.452 -19.977 1.00 0.00 C ATOM 371 NE ARG A 161 33.389 -5.423 -20.773 1.00 0.00 N ATOM 372 CZ ARG A 161 32.754 -4.673 -21.694 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.456 -4.881 -21.956 1.00 0.00 N ATOM 374 NH2 ARG A 161 33.420 -3.718 -22.351 1.00 0.00 N ATOM 0 H ARG A 161 32.136 -10.201 -17.068 1.00 0.00 H new ATOM 0 HA ARG A 161 34.692 -9.484 -18.157 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.310 -8.862 -18.933 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.258 -7.746 -17.583 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.235 -6.536 -18.440 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.451 -7.717 -19.717 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.196 -7.146 -20.640 1.00 0.00 H new ATOM 0 HD3 ARG A 161 31.952 -5.987 -19.349 1.00 0.00 H new ATOM 0 HE ARG A 161 34.386 -5.268 -20.622 1.00 0.00 H new ATOM 0 HH11 ARG A 161 30.945 -5.610 -21.457 1.00 0.00 H new ATOM 0 HH12 ARG A 161 30.979 -4.311 -22.654 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.408 -3.558 -22.155 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.940 -3.149 -23.049 1.00 0.00 H new ATOM 388 N LEU A 162 33.756 -8.023 -15.324 1.00 0.00 N ATOM 389 CA LEU A 162 34.260 -7.313 -14.151 1.00 0.00 C ATOM 390 C LEU A 162 34.651 -8.318 -13.065 1.00 0.00 C ATOM 391 O LEU A 162 35.159 -7.923 -12.015 1.00 0.00 O ATOM 392 CB LEU A 162 33.170 -6.367 -13.600 1.00 0.00 C ATOM 393 CG LEU A 162 33.059 -5.066 -14.420 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.366 -4.268 -14.345 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.722 -5.377 -15.878 1.00 0.00 C ATOM 0 H LEU A 162 32.752 -8.201 -15.303 1.00 0.00 H new ATOM 0 HA LEU A 162 35.134 -6.730 -14.440 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.209 -6.881 -13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.395 -6.122 -12.562 1.00 0.00 H new ATOM 0 HG LEU A 162 32.256 -4.465 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.268 -3.353 -14.930 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.578 -4.014 -13.306 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.183 -4.869 -14.745 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.648 -4.446 -16.441 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.507 -6.000 -16.308 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.771 -5.907 -15.926 1.00 0.00 H new ATOM 407 N GLY A 163 34.403 -9.613 -13.305 1.00 0.00 N ATOM 408 CA GLY A 163 34.674 -10.637 -12.315 1.00 0.00 C ATOM 409 C GLY A 163 33.617 -10.540 -11.217 1.00 0.00 C ATOM 410 O GLY A 163 32.576 -9.908 -11.411 1.00 0.00 O ATOM 0 H GLY A 163 34.015 -9.965 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.652 -11.625 -12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.671 -10.503 -11.894 1.00 0.00 H new ATOM 414 N ASN A 164 33.877 -11.152 -10.060 1.00 0.00 N ATOM 415 CA ASN A 164 32.948 -11.088 -8.941 1.00 0.00 C ATOM 416 C ASN A 164 33.139 -9.753 -8.211 1.00 0.00 C ATOM 417 O ASN A 164 33.370 -9.719 -7.004 1.00 0.00 O ATOM 418 CB ASN A 164 33.185 -12.286 -8.015 1.00 0.00 C ATOM 419 CG ASN A 164 32.003 -12.497 -7.064 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.123 -13.309 -7.337 1.00 0.00 O ATOM 421 ND2 ASN A 164 31.987 -11.771 -5.948 1.00 0.00 N ATOM 0 H ASN A 164 34.721 -11.695 -9.878 1.00 0.00 H new ATOM 0 HA ASN A 164 31.917 -11.138 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.339 -13.185 -8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 164 34.095 -12.127 -7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 164 31.223 -11.878 -5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.739 -11.108 -5.760 1.00 0.00 H new ATOM 428 N ARG A 165 33.039 -8.651 -8.967 1.00 0.00 N ATOM 429 CA ARG A 165 33.179 -7.311 -8.432 1.00 0.00 C ATOM 430 C ARG A 165 31.833 -6.607 -8.573 1.00 0.00 C ATOM 431 O ARG A 165 31.691 -5.646 -9.331 1.00 0.00 O ATOM 432 CB ARG A 165 34.297 -6.576 -9.188 1.00 0.00 C ATOM 433 CG ARG A 165 34.821 -5.420 -8.333 1.00 0.00 C ATOM 434 CD ARG A 165 36.052 -4.796 -9.004 1.00 0.00 C ATOM 435 NE ARG A 165 36.213 -3.388 -8.615 1.00 0.00 N ATOM 436 CZ ARG A 165 36.498 -2.985 -7.367 1.00 0.00 C ATOM 437 NH1 ARG A 165 36.894 -3.870 -6.443 1.00 0.00 N ATOM 438 NH2 ARG A 165 36.381 -1.690 -7.051 1.00 0.00 N ATOM 0 H ARG A 165 32.858 -8.676 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 165 33.457 -7.328 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 165 35.108 -7.267 -9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.919 -6.197 -10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.043 -4.667 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.081 -5.780 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.944 -5.357 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.955 -4.868 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 165 36.102 -2.675 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.981 -4.857 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.109 -3.557 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.077 -1.018 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 165 36.595 -1.374 -6.105 1.00 0.00 H new ATOM 452 N TRP A 166 30.841 -7.114 -7.831 1.00 0.00 N ATOM 453 CA TRP A 166 29.478 -6.605 -7.864 1.00 0.00 C ATOM 454 C TRP A 166 29.436 -5.087 -7.667 1.00 0.00 C ATOM 455 O TRP A 166 28.509 -4.434 -8.135 1.00 0.00 O ATOM 456 CB TRP A 166 28.666 -7.319 -6.788 1.00 0.00 C ATOM 457 CG TRP A 166 28.568 -8.807 -6.971 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.046 -9.734 -6.124 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.957 -9.566 -8.063 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.786 -11.002 -6.581 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.106 -10.962 -7.782 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.292 -9.226 -9.266 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.615 -11.955 -8.633 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.799 -10.229 -10.131 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.958 -11.589 -9.812 1.00 0.00 C ATOM 0 H TRP A 166 30.970 -7.895 -7.188 1.00 0.00 H new ATOM 0 HA TRP A 166 29.046 -6.804 -8.845 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.113 -7.113 -5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.660 -6.900 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.566 -9.511 -5.204 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.058 -11.858 -6.098 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.160 -8.186 -9.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.742 -12.998 -8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.296 -9.948 -11.045 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.574 -12.349 -10.476 1.00 0.00 H new ATOM 476 N ALA A 167 30.441 -4.527 -6.983 1.00 0.00 N ATOM 477 CA ALA A 167 30.513 -3.092 -6.754 1.00 0.00 C ATOM 478 C ALA A 167 30.486 -2.342 -8.091 1.00 0.00 C ATOM 479 O ALA A 167 29.697 -1.413 -8.263 1.00 0.00 O ATOM 480 CB ALA A 167 31.791 -2.770 -5.978 1.00 0.00 C ATOM 0 H ALA A 167 31.215 -5.055 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 167 29.651 -2.771 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.850 -1.696 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.777 -3.293 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.658 -3.092 -6.555 1.00 0.00 H new ATOM 486 N GLU A 168 31.350 -2.744 -9.037 1.00 0.00 N ATOM 487 CA GLU A 168 31.426 -2.099 -10.343 1.00 0.00 C ATOM 488 C GLU A 168 30.192 -2.444 -11.170 1.00 0.00 C ATOM 489 O GLU A 168 29.662 -1.596 -11.882 1.00 0.00 O ATOM 490 CB GLU A 168 32.688 -2.558 -11.087 1.00 0.00 C ATOM 491 CG GLU A 168 33.945 -2.298 -10.248 1.00 0.00 C ATOM 492 CD GLU A 168 34.182 -0.810 -10.008 1.00 0.00 C ATOM 493 OE1 GLU A 168 33.737 -0.010 -10.857 1.00 0.00 O ATOM 494 OE2 GLU A 168 34.814 -0.501 -8.970 1.00 0.00 O ATOM 0 H GLU A 168 32.005 -3.516 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 168 31.470 -1.020 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.613 -3.621 -11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.766 -2.031 -12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.851 -2.808 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.811 -2.725 -10.753 1.00 0.00 H new ATOM 501 N ILE A 169 29.737 -3.695 -11.079 1.00 0.00 N ATOM 502 CA ILE A 169 28.586 -4.153 -11.839 1.00 0.00 C ATOM 503 C ILE A 169 27.364 -3.290 -11.502 1.00 0.00 C ATOM 504 O ILE A 169 26.654 -2.849 -12.404 1.00 0.00 O ATOM 505 CB ILE A 169 28.346 -5.646 -11.550 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.576 -6.447 -12.036 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.081 -6.117 -12.285 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.456 -7.933 -11.680 1.00 0.00 C ATOM 0 H ILE A 169 30.155 -4.408 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 169 28.771 -4.047 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 169 28.206 -5.804 -10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.679 -6.338 -13.116 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.480 -6.036 -11.586 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.913 -7.174 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.223 -5.539 -11.940 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.208 -5.972 -13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.338 -8.465 -12.037 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.379 -8.043 -10.598 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.566 -8.349 -12.151 1.00 0.00 H new ATOM 520 N ALA A 170 27.122 -3.037 -10.207 1.00 0.00 N ATOM 521 CA ALA A 170 25.995 -2.214 -9.789 1.00 0.00 C ATOM 522 C ALA A 170 26.275 -0.737 -10.072 1.00 0.00 C ATOM 523 O ALA A 170 25.344 0.055 -10.171 1.00 0.00 O ATOM 524 CB ALA A 170 25.703 -2.428 -8.313 1.00 0.00 C ATOM 0 H ALA A 170 27.693 -3.392 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 170 25.117 -2.512 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.859 -1.806 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.461 -3.476 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.579 -2.155 -7.725 1.00 0.00 H new ATOM 530 N LYS A 171 27.552 -0.359 -10.216 1.00 0.00 N ATOM 531 CA LYS A 171 27.902 1.014 -10.555 1.00 0.00 C ATOM 532 C LYS A 171 27.260 1.352 -11.903 1.00 0.00 C ATOM 533 O LYS A 171 26.805 2.474 -12.115 1.00 0.00 O ATOM 534 CB LYS A 171 29.425 1.159 -10.615 1.00 0.00 C ATOM 535 CG LYS A 171 29.820 2.635 -10.496 1.00 0.00 C ATOM 536 CD LYS A 171 31.341 2.776 -10.637 1.00 0.00 C ATOM 537 CE LYS A 171 32.034 2.367 -9.330 1.00 0.00 C ATOM 538 NZ LYS A 171 33.495 2.303 -9.506 1.00 0.00 N ATOM 0 H LYS A 171 28.350 -0.984 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 171 27.533 1.705 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.884 0.586 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.800 0.749 -11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.318 3.219 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.496 3.032 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.697 2.152 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.597 3.806 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.790 3.083 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.660 1.396 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.938 1.992 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.724 1.628 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.855 3.245 -9.761 1.00 0.00 H new ATOM 552 N LEU A 172 27.219 0.357 -12.802 1.00 0.00 N ATOM 553 CA LEU A 172 26.597 0.506 -14.108 1.00 0.00 C ATOM 554 C LEU A 172 25.092 0.234 -14.000 1.00 0.00 C ATOM 555 O LEU A 172 24.326 0.678 -14.852 1.00 0.00 O ATOM 556 CB LEU A 172 27.245 -0.472 -15.100 1.00 0.00 C ATOM 557 CG LEU A 172 28.762 -0.232 -15.191 1.00 0.00 C ATOM 558 CD1 LEU A 172 29.385 -1.292 -16.102 1.00 0.00 C ATOM 559 CD2 LEU A 172 29.045 1.159 -15.767 1.00 0.00 C ATOM 0 H LEU A 172 27.617 -0.567 -12.636 1.00 0.00 H new ATOM 0 HA LEU A 172 26.744 1.525 -14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.053 -1.498 -14.785 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.793 -0.351 -16.085 1.00 0.00 H new ATOM 0 HG LEU A 172 29.194 -0.297 -14.192 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.460 -1.127 -16.170 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.196 -2.283 -15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.943 -1.222 -17.096 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.122 1.316 -15.826 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.612 1.235 -16.764 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.603 1.917 -15.121 1.00 0.00 H new ATOM 571 N LEU A 173 24.673 -0.496 -12.945 1.00 0.00 N ATOM 572 CA LEU A 173 23.267 -0.826 -12.723 1.00 0.00 C ATOM 573 C LEU A 173 22.794 -0.264 -11.374 1.00 0.00 C ATOM 574 O LEU A 173 22.657 -1.018 -10.410 1.00 0.00 O ATOM 575 CB LEU A 173 23.086 -2.352 -12.767 1.00 0.00 C ATOM 576 CG LEU A 173 23.399 -2.897 -14.172 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.488 -4.423 -14.112 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.295 -2.493 -15.155 1.00 0.00 C ATOM 0 H LEU A 173 25.302 -0.867 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 173 22.662 -0.374 -13.509 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.742 -2.822 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.064 -2.610 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 173 24.347 -2.481 -14.512 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.710 -4.814 -15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.280 -4.714 -13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.538 -4.830 -13.766 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.528 -2.885 -16.145 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.342 -2.901 -14.819 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.229 -1.406 -15.201 1.00 0.00 H new ATOM 590 N PRO A 174 22.533 1.063 -11.297 1.00 0.00 N ATOM 591 CA PRO A 174 22.062 1.696 -10.082 1.00 0.00 C ATOM 592 C PRO A 174 20.709 1.116 -9.677 1.00 0.00 C ATOM 593 O PRO A 174 19.987 0.577 -10.517 1.00 0.00 O ATOM 594 CB PRO A 174 21.960 3.191 -10.395 1.00 0.00 C ATOM 595 CG PRO A 174 22.219 3.345 -11.899 1.00 0.00 C ATOM 596 CD PRO A 174 22.690 1.982 -12.407 1.00 0.00 C ATOM 0 HA PRO A 174 22.738 1.524 -9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.975 3.575 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.689 3.758 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.313 3.659 -12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.974 4.109 -12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.100 1.661 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.729 2.025 -12.733 1.00 0.00 H new ATOM 604 N GLY A 175 20.365 1.217 -8.388 1.00 0.00 N ATOM 605 CA GLY A 175 19.113 0.674 -7.877 1.00 0.00 C ATOM 606 C GLY A 175 19.274 -0.823 -7.612 1.00 0.00 C ATOM 607 O GLY A 175 18.859 -1.319 -6.568 1.00 0.00 O ATOM 0 H GLY A 175 20.943 1.673 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.830 1.188 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.311 0.842 -8.596 1.00 0.00 H new ATOM 611 N ARG A 176 19.887 -1.532 -8.565 1.00 0.00 N ATOM 612 CA ARG A 176 20.150 -2.953 -8.443 1.00 0.00 C ATOM 613 C ARG A 176 21.211 -3.157 -7.351 1.00 0.00 C ATOM 614 O ARG A 176 22.397 -2.928 -7.583 1.00 0.00 O ATOM 615 CB ARG A 176 20.621 -3.466 -9.822 1.00 0.00 C ATOM 616 CG ARG A 176 20.111 -4.888 -10.086 1.00 0.00 C ATOM 617 CD ARG A 176 19.866 -5.074 -11.586 1.00 0.00 C ATOM 618 NE ARG A 176 18.575 -4.499 -11.994 1.00 0.00 N ATOM 619 CZ ARG A 176 17.392 -5.113 -11.788 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.336 -6.252 -11.087 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.268 -4.585 -12.288 1.00 0.00 N ATOM 0 H ARG A 176 20.213 -1.127 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 176 19.262 -3.515 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.263 -2.797 -10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.710 -3.453 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 176 20.839 -5.618 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.189 -5.064 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 176 20.671 -4.601 -12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 176 19.887 -6.136 -11.831 1.00 0.00 H new ATOM 0 HE ARG A 176 18.574 -3.590 -12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 176 18.190 -6.659 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.439 -6.713 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.306 -3.718 -12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.373 -5.049 -12.132 1.00 0.00 H new ATOM 635 N THR A 177 20.776 -3.565 -6.149 1.00 0.00 N ATOM 636 CA THR A 177 21.672 -3.713 -5.004 1.00 0.00 C ATOM 637 C THR A 177 22.462 -5.019 -5.086 1.00 0.00 C ATOM 638 O THR A 177 21.979 -6.011 -5.628 1.00 0.00 O ATOM 639 CB THR A 177 20.860 -3.670 -3.701 1.00 0.00 C ATOM 640 OG1 THR A 177 19.888 -4.697 -3.709 1.00 0.00 O ATOM 641 CG2 THR A 177 20.167 -2.314 -3.558 1.00 0.00 C ATOM 0 H THR A 177 19.803 -3.798 -5.950 1.00 0.00 H new ATOM 0 HA THR A 177 22.384 -2.887 -5.017 1.00 0.00 H new ATOM 0 HB THR A 177 21.537 -3.816 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.374 -4.667 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.594 -2.294 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.916 -1.523 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.496 -2.157 -4.403 1.00 0.00 H new ATOM 649 N ASP A 178 23.684 -4.998 -4.528 1.00 0.00 N ATOM 650 CA ASP A 178 24.566 -6.159 -4.502 1.00 0.00 C ATOM 651 C ASP A 178 23.835 -7.370 -3.924 1.00 0.00 C ATOM 652 O ASP A 178 23.812 -8.432 -4.538 1.00 0.00 O ATOM 653 CB ASP A 178 25.804 -5.820 -3.660 1.00 0.00 C ATOM 654 CG ASP A 178 26.560 -7.080 -3.255 1.00 0.00 C ATOM 655 OD1 ASP A 178 27.375 -7.542 -4.078 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.305 -7.561 -2.129 1.00 0.00 O ATOM 0 H ASP A 178 24.081 -4.170 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 178 24.875 -6.410 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.464 -5.164 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.501 -5.273 -2.768 1.00 0.00 H new ATOM 661 N ASN A 179 23.240 -7.201 -2.738 1.00 0.00 N ATOM 662 CA ASN A 179 22.524 -8.278 -2.070 1.00 0.00 C ATOM 663 C ASN A 179 21.521 -8.921 -3.024 1.00 0.00 C ATOM 664 O ASN A 179 21.538 -10.134 -3.212 1.00 0.00 O ATOM 665 CB ASN A 179 21.811 -7.727 -0.834 1.00 0.00 C ATOM 666 CG ASN A 179 20.993 -8.820 -0.152 1.00 0.00 C ATOM 667 OD1 ASN A 179 21.549 -9.695 0.504 1.00 0.00 O ATOM 668 ND2 ASN A 179 19.669 -8.773 -0.310 1.00 0.00 N ATOM 0 H ASN A 179 23.244 -6.320 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 179 23.236 -9.043 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.544 -7.324 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.158 -6.903 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.078 -9.483 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.248 -8.027 -0.864 1.00 0.00 H new ATOM 675 N ALA A 180 20.648 -8.107 -3.625 1.00 0.00 N ATOM 676 CA ALA A 180 19.631 -8.604 -4.536 1.00 0.00 C ATOM 677 C ALA A 180 20.270 -9.299 -5.735 1.00 0.00 C ATOM 678 O ALA A 180 19.780 -10.331 -6.180 1.00 0.00 O ATOM 679 CB ALA A 180 18.761 -7.444 -5.003 1.00 0.00 C ATOM 0 H ALA A 180 20.632 -7.096 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 180 19.014 -9.334 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 180 17.997 -7.814 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.282 -6.979 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.380 -6.708 -5.515 1.00 0.00 H new ATOM 685 N ILE A 181 21.361 -8.731 -6.261 1.00 0.00 N ATOM 686 CA ILE A 181 22.041 -9.293 -7.419 1.00 0.00 C ATOM 687 C ILE A 181 22.540 -10.691 -7.116 1.00 0.00 C ATOM 688 O ILE A 181 22.350 -11.592 -7.915 1.00 0.00 O ATOM 689 CB ILE A 181 23.197 -8.378 -7.831 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.627 -7.175 -8.569 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.156 -9.134 -8.750 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.578 -5.981 -8.457 1.00 0.00 C ATOM 0 H ILE A 181 21.788 -7.879 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 181 21.336 -9.363 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 181 23.741 -8.051 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.469 -7.425 -9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.654 -6.913 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.976 -8.477 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.554 -10.002 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.622 -9.463 -9.642 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.156 -5.129 -8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.714 -5.721 -7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.542 -6.241 -8.894 1.00 0.00 H new ATOM 704 N LYS A 182 23.180 -10.874 -5.969 1.00 0.00 N ATOM 705 CA LYS A 182 23.704 -12.172 -5.589 1.00 0.00 C ATOM 706 C LYS A 182 22.574 -13.118 -5.270 1.00 0.00 C ATOM 707 O LYS A 182 22.629 -14.287 -5.646 1.00 0.00 O ATOM 708 CB LYS A 182 24.590 -12.016 -4.382 1.00 0.00 C ATOM 709 CG LYS A 182 25.927 -11.452 -4.819 1.00 0.00 C ATOM 710 CD LYS A 182 26.425 -10.479 -3.748 1.00 0.00 C ATOM 711 CE LYS A 182 26.461 -11.167 -2.371 1.00 0.00 C ATOM 712 NZ LYS A 182 27.594 -12.102 -2.276 1.00 0.00 N ATOM 0 H LYS A 182 23.347 -10.135 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 182 24.280 -12.582 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.122 -11.353 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.730 -12.979 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.648 -12.257 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.826 -10.941 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.421 -10.121 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.772 -9.607 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.540 -10.414 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.527 -11.704 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.595 -12.552 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.504 -12.833 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.485 -11.583 -2.412 1.00 0.00 H new ATOM 726 N ASN A 183 21.545 -12.628 -4.574 1.00 0.00 N ATOM 727 CA ASN A 183 20.420 -13.464 -4.239 1.00 0.00 C ATOM 728 C ASN A 183 19.835 -13.997 -5.542 1.00 0.00 C ATOM 729 O ASN A 183 19.529 -15.179 -5.653 1.00 0.00 O ATOM 730 CB ASN A 183 19.372 -12.668 -3.451 1.00 0.00 C ATOM 731 CG ASN A 183 19.597 -12.806 -1.947 1.00 0.00 C ATOM 732 OD1 ASN A 183 18.906 -13.574 -1.285 1.00 0.00 O ATOM 733 ND2 ASN A 183 20.561 -12.063 -1.411 1.00 0.00 N ATOM 0 H ASN A 183 21.479 -11.666 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 183 20.736 -14.292 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.420 -11.617 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.373 -13.022 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.751 -12.118 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.111 -11.438 -2.001 1.00 0.00 H new ATOM 740 N HIS A 184 19.708 -13.102 -6.533 1.00 0.00 N ATOM 741 CA HIS A 184 19.206 -13.448 -7.848 1.00 0.00 C ATOM 742 C HIS A 184 20.177 -14.405 -8.542 1.00 0.00 C ATOM 743 O HIS A 184 19.755 -15.390 -9.143 1.00 0.00 O ATOM 744 CB HIS A 184 19.047 -12.170 -8.684 1.00 0.00 C ATOM 745 CG HIS A 184 18.459 -12.459 -10.036 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.180 -12.970 -10.205 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.960 -12.334 -11.306 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.994 -13.115 -11.532 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.044 -12.745 -12.260 1.00 0.00 N ATOM 0 H HIS A 184 19.955 -12.117 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 184 18.238 -13.939 -7.748 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.408 -11.465 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.019 -11.691 -8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.947 -11.961 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.080 -13.495 -11.963 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.149 -12.760 -13.274 1.00 0.00 H new ATOM 757 N TRP A 185 21.480 -14.098 -8.463 1.00 0.00 N ATOM 758 CA TRP A 185 22.507 -14.892 -9.113 1.00 0.00 C ATOM 759 C TRP A 185 22.489 -16.329 -8.584 1.00 0.00 C ATOM 760 O TRP A 185 22.768 -17.265 -9.327 1.00 0.00 O ATOM 761 CB TRP A 185 23.886 -14.253 -8.915 1.00 0.00 C ATOM 762 CG TRP A 185 24.957 -14.872 -9.755 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.952 -15.660 -9.316 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.137 -14.787 -11.196 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.742 -16.082 -10.361 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.276 -15.573 -11.559 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.453 -14.133 -12.242 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.699 -15.705 -12.886 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.881 -14.261 -13.579 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.997 -15.050 -13.894 1.00 0.00 C ATOM 0 H TRP A 185 21.840 -13.295 -7.947 1.00 0.00 H new ATOM 0 HA TRP A 185 22.298 -14.922 -10.182 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.822 -13.190 -9.148 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.167 -14.333 -7.865 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.111 -15.927 -8.282 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.558 -16.686 -10.265 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.589 -13.526 -12.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.562 -16.309 -13.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.347 -13.749 -14.365 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.313 -15.150 -14.922 1.00 0.00 H new ATOM 781 N ASN A 186 22.165 -16.491 -7.298 1.00 0.00 N ATOM 782 CA ASN A 186 22.139 -17.797 -6.655 1.00 0.00 C ATOM 783 C ASN A 186 20.790 -18.494 -6.861 1.00 0.00 C ATOM 784 O ASN A 186 20.742 -19.715 -6.982 1.00 0.00 O ATOM 785 CB ASN A 186 22.415 -17.612 -5.160 1.00 0.00 C ATOM 786 CG ASN A 186 22.276 -18.932 -4.409 1.00 0.00 C ATOM 787 OD1 ASN A 186 23.205 -19.738 -4.388 1.00 0.00 O ATOM 788 ND2 ASN A 186 21.117 -19.154 -3.791 1.00 0.00 N ATOM 0 H ASN A 186 21.915 -15.720 -6.679 1.00 0.00 H new ATOM 0 HA ASN A 186 22.905 -18.429 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.420 -17.214 -5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.721 -16.880 -4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 186 20.973 -20.021 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.374 -18.457 -3.835 1.00 0.00 H new ATOM 795 N SER A 187 19.694 -17.726 -6.877 1.00 0.00 N ATOM 796 CA SER A 187 18.355 -18.295 -6.982 1.00 0.00 C ATOM 797 C SER A 187 17.886 -18.436 -8.433 1.00 0.00 C ATOM 798 O SER A 187 16.777 -18.918 -8.656 1.00 0.00 O ATOM 799 CB SER A 187 17.378 -17.405 -6.207 1.00 0.00 C ATOM 800 OG SER A 187 17.183 -16.189 -6.904 1.00 0.00 O ATOM 0 H SER A 187 19.714 -16.708 -6.818 1.00 0.00 H new ATOM 0 HA SER A 187 18.385 -19.299 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.425 -17.919 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.767 -17.205 -5.209 1.00 0.00 H new ATOM 0 HG SER A 187 17.807 -15.514 -6.564 1.00 0.00 H new ATOM 806 N THR A 188 18.694 -18.010 -9.420 1.00 0.00 N ATOM 807 CA THR A 188 18.262 -18.056 -10.815 1.00 0.00 C ATOM 808 C THR A 188 19.371 -18.543 -11.741 1.00 0.00 C ATOM 809 O THR A 188 19.254 -19.609 -12.340 1.00 0.00 O ATOM 810 CB THR A 188 17.772 -16.657 -11.237 1.00 0.00 C ATOM 811 OG1 THR A 188 17.128 -16.027 -10.149 1.00 0.00 O ATOM 812 CG2 THR A 188 16.790 -16.788 -12.404 1.00 0.00 C ATOM 0 H THR A 188 19.632 -17.637 -9.275 1.00 0.00 H new ATOM 0 HA THR A 188 17.446 -18.773 -10.900 1.00 0.00 H new ATOM 0 HB THR A 188 18.627 -16.056 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.801 -15.658 -9.539 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.444 -15.798 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.288 -17.267 -13.247 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.937 -17.393 -12.096 1.00 0.00 H new ATOM 820 N MET A 189 20.432 -17.751 -11.876 1.00 0.00 N ATOM 821 CA MET A 189 21.511 -18.056 -12.797 1.00 0.00 C ATOM 822 C MET A 189 22.279 -19.304 -12.362 1.00 0.00 C ATOM 823 O MET A 189 22.111 -20.368 -12.953 1.00 0.00 O ATOM 824 CB MET A 189 22.430 -16.841 -12.874 1.00 0.00 C ATOM 825 CG MET A 189 21.821 -15.794 -13.812 1.00 0.00 C ATOM 826 SD MET A 189 22.128 -16.123 -15.567 1.00 0.00 S ATOM 827 CE MET A 189 21.270 -14.702 -16.282 1.00 0.00 C ATOM 0 H MET A 189 20.563 -16.886 -11.351 1.00 0.00 H new ATOM 0 HA MET A 189 21.101 -18.272 -13.783 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.571 -16.416 -11.880 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.414 -17.139 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.745 -15.749 -13.643 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.225 -14.814 -13.559 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.353 -14.736 -17.368 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.218 -14.731 -15.997 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.721 -13.781 -15.912 1.00 0.00 H new