USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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= -0.224 X(o=0.54,f=0.36) USER MOD Set 1.2: A 188 THR OG1 : rot 83:sc= 0.763 USER MOD Set 2.1: A 179 ASN : amide:sc= -0.0454 K(o=0.24,f=-4.3!) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 166:sc= 0.349 (180deg=-0.163) USER MOD Set 2.3: A 183 ASN : amide:sc= -0.0602 K(o=0.24,f=-6.6) USER MOD Set 3.1: A 159 HIS : no HD1:sc= 0.122 K(o=0.48,f=-3.8!) USER MOD Set 3.2: A 164 ASN :FLIP amide:sc= 0.354 F(o=-0.38,f=0.48) USER MOD Single : A 148 THR OG1 : rot -68:sc= 1.12 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -108:sc= -0.292 (180deg=-0.761) USER MOD Single : A 171 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 186 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.9) USER MOD Single : A 187 SER OG : rot 86:sc= 0.0931 USER MOD Single : A 189 MET CE :methyl -176:sc= -1.1 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.419 -10.706 -12.324 1.00 0.00 N ATOM 89 CA TRP A 147 14.440 -10.240 -13.253 1.00 0.00 C ATOM 90 C TRP A 147 14.017 -10.538 -14.689 1.00 0.00 C ATOM 91 O TRP A 147 13.077 -11.300 -14.916 1.00 0.00 O ATOM 92 CB TRP A 147 15.761 -10.934 -12.922 1.00 0.00 C ATOM 93 CG TRP A 147 16.450 -10.394 -11.712 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.297 -10.834 -10.452 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.407 -9.301 -11.626 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.081 -10.113 -9.582 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.795 -9.144 -10.258 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.990 -8.421 -12.561 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.711 -8.174 -9.848 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.912 -7.438 -12.151 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.271 -7.318 -10.800 1.00 0.00 C ATOM 0 HA TRP A 147 14.566 -9.162 -13.157 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.573 -11.998 -12.775 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.430 -10.844 -13.778 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.646 -11.645 -10.161 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.128 -10.272 -8.576 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.726 -8.502 -13.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.984 -8.086 -8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.346 -6.772 -12.882 1.00 0.00 H new ATOM 0 HH2 TRP A 147 19.981 -6.563 -10.496 1.00 0.00 H new ATOM 112 N THR A 148 14.720 -9.928 -15.657 1.00 0.00 N ATOM 113 CA THR A 148 14.431 -10.113 -17.073 1.00 0.00 C ATOM 114 C THR A 148 15.736 -10.317 -17.842 1.00 0.00 C ATOM 115 O THR A 148 16.798 -9.893 -17.389 1.00 0.00 O ATOM 116 CB THR A 148 13.678 -8.888 -17.610 1.00 0.00 C ATOM 117 OG1 THR A 148 14.472 -7.730 -17.448 1.00 0.00 O ATOM 118 CG2 THR A 148 12.357 -8.710 -16.857 1.00 0.00 C ATOM 0 H THR A 148 15.500 -9.297 -15.473 1.00 0.00 H new ATOM 0 HA THR A 148 13.805 -10.995 -17.206 1.00 0.00 H new ATOM 0 HB THR A 148 13.468 -9.040 -18.669 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.561 -7.525 -16.494 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.831 -7.838 -17.246 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.739 -9.597 -16.993 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.560 -8.568 -15.795 1.00 0.00 H new ATOM 126 N GLU A 149 15.644 -10.967 -19.013 1.00 0.00 N ATOM 127 CA GLU A 149 16.804 -11.237 -19.857 1.00 0.00 C ATOM 128 C GLU A 149 17.588 -9.950 -20.122 1.00 0.00 C ATOM 129 O GLU A 149 18.818 -9.955 -20.099 1.00 0.00 O ATOM 130 CB GLU A 149 16.334 -11.850 -21.182 1.00 0.00 C ATOM 131 CG GLU A 149 15.700 -13.222 -20.933 1.00 0.00 C ATOM 132 CD GLU A 149 15.229 -13.843 -22.243 1.00 0.00 C ATOM 133 OE1 GLU A 149 16.109 -14.134 -23.081 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.998 -14.012 -22.382 1.00 0.00 O ATOM 0 H GLU A 149 14.765 -11.316 -19.394 1.00 0.00 H new ATOM 0 HA GLU A 149 17.463 -11.938 -19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.612 -11.189 -21.661 1.00 0.00 H new ATOM 0 HB3 GLU A 149 17.178 -11.949 -21.865 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.423 -13.880 -20.452 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.857 -13.120 -20.249 1.00 0.00 H new ATOM 141 N GLU A 150 16.867 -8.850 -20.376 1.00 0.00 N ATOM 142 CA GLU A 150 17.479 -7.558 -20.655 1.00 0.00 C ATOM 143 C GLU A 150 18.484 -7.200 -19.556 1.00 0.00 C ATOM 144 O GLU A 150 19.629 -6.855 -19.849 1.00 0.00 O ATOM 145 CB GLU A 150 16.366 -6.501 -20.752 1.00 0.00 C ATOM 146 CG GLU A 150 16.949 -5.136 -21.148 1.00 0.00 C ATOM 147 CD GLU A 150 17.625 -5.193 -22.513 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.072 -5.879 -23.400 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.689 -4.553 -22.647 1.00 0.00 O ATOM 0 H GLU A 150 15.847 -8.837 -20.392 1.00 0.00 H new ATOM 0 HA GLU A 150 18.023 -7.596 -21.599 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.624 -6.813 -21.487 1.00 0.00 H new ATOM 0 HB3 GLU A 150 15.851 -6.419 -19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.154 -4.391 -21.165 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.670 -4.815 -20.396 1.00 0.00 H new ATOM 156 N GLU A 151 18.048 -7.286 -18.297 1.00 0.00 N ATOM 157 CA GLU A 151 18.887 -6.959 -17.155 1.00 0.00 C ATOM 158 C GLU A 151 19.989 -8.006 -16.983 1.00 0.00 C ATOM 159 O GLU A 151 21.156 -7.658 -16.801 1.00 0.00 O ATOM 160 CB GLU A 151 18.015 -6.907 -15.898 1.00 0.00 C ATOM 161 CG GLU A 151 16.967 -5.798 -16.018 1.00 0.00 C ATOM 162 CD GLU A 151 15.984 -5.872 -14.860 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.051 -6.701 -14.955 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.179 -5.106 -13.892 1.00 0.00 O ATOM 0 H GLU A 151 17.105 -7.584 -18.047 1.00 0.00 H new ATOM 0 HA GLU A 151 19.359 -5.990 -17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.521 -7.868 -15.751 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.640 -6.732 -15.022 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.457 -4.825 -16.026 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.433 -5.894 -16.964 1.00 0.00 H new ATOM 171 N ASP A 152 19.608 -9.289 -17.031 1.00 0.00 N ATOM 172 CA ASP A 152 20.543 -10.393 -16.842 1.00 0.00 C ATOM 173 C ASP A 152 21.724 -10.281 -17.805 1.00 0.00 C ATOM 174 O ASP A 152 22.844 -10.623 -17.441 1.00 0.00 O ATOM 175 CB ASP A 152 19.810 -11.724 -17.045 1.00 0.00 C ATOM 176 CG ASP A 152 18.683 -11.902 -16.029 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.800 -11.310 -14.934 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.724 -12.629 -16.370 1.00 0.00 O ATOM 0 H ASP A 152 18.647 -9.584 -17.201 1.00 0.00 H new ATOM 0 HA ASP A 152 20.937 -10.349 -15.827 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.401 -11.765 -18.055 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.518 -12.548 -16.954 1.00 0.00 H new ATOM 183 N ARG A 153 21.477 -9.805 -19.031 1.00 0.00 N ATOM 184 CA ARG A 153 22.530 -9.658 -20.028 1.00 0.00 C ATOM 185 C ARG A 153 23.647 -8.756 -19.493 1.00 0.00 C ATOM 186 O ARG A 153 24.828 -9.045 -19.693 1.00 0.00 O ATOM 187 CB ARG A 153 21.940 -9.073 -21.314 1.00 0.00 C ATOM 188 CG ARG A 153 22.880 -9.363 -22.491 1.00 0.00 C ATOM 189 CD ARG A 153 22.510 -8.492 -23.695 1.00 0.00 C ATOM 190 NE ARG A 153 21.075 -8.596 -24.013 1.00 0.00 N ATOM 191 CZ ARG A 153 20.175 -7.621 -23.757 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.524 -6.534 -23.054 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.921 -7.743 -24.210 1.00 0.00 N ATOM 0 H ARG A 153 20.553 -9.516 -19.352 1.00 0.00 H new ATOM 0 HA ARG A 153 22.956 -10.637 -20.246 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.958 -9.506 -21.505 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.799 -7.998 -21.205 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.912 -9.170 -22.197 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.818 -10.417 -22.763 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.763 -7.453 -23.486 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.099 -8.796 -24.560 1.00 0.00 H new ATOM 0 HE ARG A 153 20.741 -9.454 -24.452 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.478 -6.436 -22.706 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.836 -5.805 -22.867 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.650 -8.568 -24.745 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.237 -7.011 -24.020 1.00 0.00 H new ATOM 207 N ILE A 154 23.273 -7.662 -18.818 1.00 0.00 N ATOM 208 CA ILE A 154 24.242 -6.717 -18.281 1.00 0.00 C ATOM 209 C ILE A 154 25.098 -7.403 -17.221 1.00 0.00 C ATOM 210 O ILE A 154 26.326 -7.317 -17.264 1.00 0.00 O ATOM 211 CB ILE A 154 23.513 -5.499 -17.680 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.527 -4.889 -18.700 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.543 -4.444 -17.255 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.219 -4.603 -20.039 1.00 0.00 C ATOM 0 H ILE A 154 22.301 -7.415 -18.634 1.00 0.00 H new ATOM 0 HA ILE A 154 24.891 -6.370 -19.086 1.00 0.00 H new ATOM 0 HB ILE A 154 22.944 -5.828 -16.810 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.693 -5.573 -18.858 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.110 -3.965 -18.299 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.028 -3.583 -16.830 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.214 -4.870 -16.509 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.121 -4.129 -18.124 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.499 -4.174 -20.736 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.037 -3.899 -19.883 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.613 -5.532 -20.450 1.00 0.00 H new ATOM 226 N ILE A 155 24.450 -8.082 -16.267 1.00 0.00 N ATOM 227 CA ILE A 155 25.157 -8.762 -15.191 1.00 0.00 C ATOM 228 C ILE A 155 26.065 -9.844 -15.776 1.00 0.00 C ATOM 229 O ILE A 155 27.194 -9.994 -15.341 1.00 0.00 O ATOM 230 CB ILE A 155 24.150 -9.370 -14.196 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.256 -8.262 -13.611 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.915 -10.057 -13.053 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.989 -8.874 -13.013 1.00 0.00 C ATOM 0 H ILE A 155 23.435 -8.171 -16.224 1.00 0.00 H new ATOM 0 HA ILE A 155 25.774 -8.043 -14.652 1.00 0.00 H new ATOM 0 HB ILE A 155 23.528 -10.098 -14.717 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.800 -7.711 -12.844 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.992 -7.547 -14.390 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.205 -10.488 -12.347 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.546 -10.847 -13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.537 -9.324 -12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.362 -8.083 -12.601 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.439 -9.405 -13.790 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.261 -9.571 -12.220 1.00 0.00 H new ATOM 245 N TYR A 156 25.565 -10.595 -16.762 1.00 0.00 N ATOM 246 CA TYR A 156 26.326 -11.667 -17.390 1.00 0.00 C ATOM 247 C TYR A 156 27.596 -11.117 -18.040 1.00 0.00 C ATOM 248 O TYR A 156 28.687 -11.642 -17.812 1.00 0.00 O ATOM 249 CB TYR A 156 25.441 -12.365 -18.427 1.00 0.00 C ATOM 250 CG TYR A 156 26.155 -13.461 -19.190 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.556 -14.634 -18.526 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.416 -13.310 -20.565 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.219 -15.652 -19.232 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.077 -14.330 -21.271 1.00 0.00 C ATOM 255 CZ TYR A 156 27.478 -15.500 -20.605 1.00 0.00 C ATOM 256 OH TYR A 156 28.123 -16.486 -21.291 1.00 0.00 O ATOM 0 H TYR A 156 24.626 -10.474 -17.142 1.00 0.00 H new ATOM 0 HA TYR A 156 26.630 -12.389 -16.632 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.572 -12.790 -17.925 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.069 -11.623 -19.134 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.354 -14.753 -17.472 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.108 -12.410 -21.077 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.529 -16.551 -18.720 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.277 -14.214 -22.326 1.00 0.00 H new ATOM 0 HH TYR A 156 28.221 -16.221 -22.230 1.00 0.00 H new ATOM 266 N GLN A 157 27.456 -10.065 -18.851 1.00 0.00 N ATOM 267 CA GLN A 157 28.590 -9.467 -19.537 1.00 0.00 C ATOM 268 C GLN A 157 29.595 -8.920 -18.521 1.00 0.00 C ATOM 269 O GLN A 157 30.784 -9.234 -18.591 1.00 0.00 O ATOM 270 CB GLN A 157 28.088 -8.352 -20.461 1.00 0.00 C ATOM 271 CG GLN A 157 29.256 -7.781 -21.270 1.00 0.00 C ATOM 272 CD GLN A 157 28.770 -6.726 -22.256 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.748 -6.962 -23.460 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.381 -5.560 -21.741 1.00 0.00 N ATOM 0 H GLN A 157 26.562 -9.613 -19.045 1.00 0.00 H new ATOM 0 HA GLN A 157 29.096 -10.224 -20.136 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.324 -8.742 -21.134 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.621 -7.562 -19.872 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.991 -7.343 -20.595 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.758 -8.585 -21.809 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.417 -5.410 -20.733 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.047 -4.817 -22.355 1.00 0.00 H new ATOM 283 N ALA A 158 29.113 -8.099 -17.585 1.00 0.00 N ATOM 284 CA ALA A 158 29.963 -7.479 -16.581 1.00 0.00 C ATOM 285 C ALA A 158 30.631 -8.539 -15.699 1.00 0.00 C ATOM 286 O ALA A 158 31.792 -8.391 -15.332 1.00 0.00 O ATOM 287 CB ALA A 158 29.118 -6.527 -15.737 1.00 0.00 C ATOM 0 H ALA A 158 28.127 -7.850 -17.507 1.00 0.00 H new ATOM 0 HA ALA A 158 30.757 -6.919 -17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.746 -6.056 -14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.685 -5.759 -16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.319 -7.085 -15.249 1.00 0.00 H new ATOM 293 N HIS A 159 29.896 -9.604 -15.358 1.00 0.00 N ATOM 294 CA HIS A 159 30.418 -10.670 -14.514 1.00 0.00 C ATOM 295 C HIS A 159 31.540 -11.411 -15.234 1.00 0.00 C ATOM 296 O HIS A 159 32.565 -11.711 -14.638 1.00 0.00 O ATOM 297 CB HIS A 159 29.283 -11.634 -14.146 1.00 0.00 C ATOM 298 CG HIS A 159 29.753 -12.802 -13.321 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.414 -13.895 -13.870 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.671 -13.078 -11.981 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.684 -14.737 -12.854 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.254 -14.296 -11.672 1.00 0.00 N ATOM 0 H HIS A 159 28.932 -9.745 -15.659 1.00 0.00 H new ATOM 0 HA HIS A 159 30.827 -10.239 -13.600 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.516 -11.091 -13.594 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.817 -12.004 -15.059 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.209 -12.426 -11.255 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.199 -15.678 -12.984 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.335 -14.746 -10.760 1.00 0.00 H new ATOM 310 N LYS A 160 31.344 -11.710 -16.518 1.00 0.00 N ATOM 311 CA LYS A 160 32.342 -12.419 -17.301 1.00 0.00 C ATOM 312 C LYS A 160 33.649 -11.617 -17.348 1.00 0.00 C ATOM 313 O LYS A 160 34.732 -12.198 -17.379 1.00 0.00 O ATOM 314 CB LYS A 160 31.790 -12.649 -18.712 1.00 0.00 C ATOM 315 CG LYS A 160 32.648 -13.679 -19.455 1.00 0.00 C ATOM 316 CD LYS A 160 32.318 -13.665 -20.955 1.00 0.00 C ATOM 317 CE LYS A 160 30.837 -13.998 -21.185 1.00 0.00 C ATOM 318 NZ LYS A 160 30.007 -12.777 -21.199 1.00 0.00 N ATOM 0 H LYS A 160 30.498 -11.469 -17.035 1.00 0.00 H new ATOM 0 HA LYS A 160 32.560 -13.382 -16.839 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.759 -12.998 -18.655 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.778 -11.709 -19.264 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.705 -13.457 -19.306 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.470 -14.674 -19.046 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.545 -12.685 -21.374 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.944 -14.388 -21.478 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.724 -14.528 -22.131 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.487 -14.669 -20.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.439 -12.734 -20.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.622 -11.940 -21.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.375 -12.796 -22.025 1.00 0.00 H new ATOM 332 N ARG A 161 33.540 -10.283 -17.363 1.00 0.00 N ATOM 333 CA ARG A 161 34.699 -9.407 -17.449 1.00 0.00 C ATOM 334 C ARG A 161 35.356 -9.211 -16.076 1.00 0.00 C ATOM 335 O ARG A 161 36.573 -9.337 -15.952 1.00 0.00 O ATOM 336 CB ARG A 161 34.247 -8.060 -18.026 1.00 0.00 C ATOM 337 CG ARG A 161 35.465 -7.182 -18.328 1.00 0.00 C ATOM 338 CD ARG A 161 34.997 -5.836 -18.889 1.00 0.00 C ATOM 339 NE ARG A 161 36.140 -4.998 -19.279 1.00 0.00 N ATOM 340 CZ ARG A 161 36.796 -5.137 -20.447 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.446 -6.102 -21.310 1.00 0.00 N ATOM 342 NH2 ARG A 161 37.803 -4.306 -20.749 1.00 0.00 N ATOM 0 H ARG A 161 32.649 -9.790 -17.316 1.00 0.00 H new ATOM 0 HA ARG A 161 35.446 -9.862 -18.099 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.670 -8.221 -18.937 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.591 -7.554 -17.318 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.049 -7.027 -17.421 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.117 -7.680 -19.045 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.353 -6.003 -19.753 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.399 -5.315 -18.141 1.00 0.00 H new ATOM 0 HE ARG A 161 36.452 -4.274 -18.632 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.679 -6.735 -21.083 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.946 -6.202 -22.193 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.071 -3.571 -20.095 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.302 -4.409 -21.633 1.00 0.00 H new ATOM 356 N LEU A 162 34.555 -8.879 -15.055 1.00 0.00 N ATOM 357 CA LEU A 162 35.070 -8.575 -13.722 1.00 0.00 C ATOM 358 C LEU A 162 35.043 -9.809 -12.818 1.00 0.00 C ATOM 359 O LEU A 162 36.077 -10.198 -12.274 1.00 0.00 O ATOM 360 CB LEU A 162 34.227 -7.448 -13.110 1.00 0.00 C ATOM 361 CG LEU A 162 34.388 -6.156 -13.928 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.197 -5.235 -13.658 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.684 -5.444 -13.528 1.00 0.00 C ATOM 0 H LEU A 162 33.540 -8.815 -15.133 1.00 0.00 H new ATOM 0 HA LEU A 162 36.109 -8.258 -13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.178 -7.742 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.534 -7.274 -12.079 1.00 0.00 H new ATOM 0 HG LEU A 162 34.429 -6.404 -14.989 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.308 -4.318 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.275 -5.738 -13.949 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.158 -4.992 -12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.792 -4.530 -14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.650 -5.196 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.533 -6.099 -13.720 1.00 0.00 H new ATOM 375 N GLY A 163 33.860 -10.408 -12.649 1.00 0.00 N ATOM 376 CA GLY A 163 33.677 -11.569 -11.785 1.00 0.00 C ATOM 377 C GLY A 163 32.472 -11.333 -10.881 1.00 0.00 C ATOM 378 O GLY A 163 31.520 -10.668 -11.282 1.00 0.00 O ATOM 0 H GLY A 163 33.004 -10.098 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.526 -12.465 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.571 -11.735 -11.184 1.00 0.00 H new ATOM 382 N ASN A 164 32.514 -11.864 -9.653 1.00 0.00 N ATOM 383 CA ASN A 164 31.424 -11.685 -8.694 1.00 0.00 C ATOM 384 C ASN A 164 31.554 -10.322 -8.008 1.00 0.00 C ATOM 385 O ASN A 164 31.280 -10.198 -6.815 1.00 0.00 O ATOM 386 CB ASN A 164 31.466 -12.811 -7.654 1.00 0.00 C ATOM 387 CG ASN A 164 31.611 -14.175 -8.320 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.491 -14.769 -8.726 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 32.720 -14.681 -8.466 1.00 0.00 N flip ATOM 0 H ASN A 164 33.293 -12.421 -9.302 1.00 0.00 H new ATOM 0 HA ASN A 164 30.469 -11.722 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.299 -12.647 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.555 -12.791 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.552 -14.189 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.810 -15.593 -8.914 1.00 0.00 H new ATOM 396 N ARG A 165 31.978 -9.298 -8.762 1.00 0.00 N ATOM 397 CA ARG A 165 32.176 -7.966 -8.221 1.00 0.00 C ATOM 398 C ARG A 165 30.862 -7.197 -8.226 1.00 0.00 C ATOM 399 O ARG A 165 30.752 -6.166 -8.886 1.00 0.00 O ATOM 400 CB ARG A 165 33.209 -7.220 -9.063 1.00 0.00 C ATOM 401 CG ARG A 165 34.545 -7.961 -9.076 1.00 0.00 C ATOM 402 CD ARG A 165 35.630 -6.966 -9.479 1.00 0.00 C ATOM 403 NE ARG A 165 36.789 -7.627 -10.076 1.00 0.00 N ATOM 404 CZ ARG A 165 37.787 -6.937 -10.653 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.755 -5.593 -10.664 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.812 -7.589 -11.216 1.00 0.00 N ATOM 0 H ARG A 165 32.189 -9.379 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 165 32.534 -8.050 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.841 -7.110 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.350 -6.215 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.758 -8.380 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.512 -8.794 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.218 -6.248 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.947 -6.401 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 165 36.842 -8.645 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.973 -5.098 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.512 -5.068 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.835 -8.609 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.570 -7.066 -11.654 1.00 0.00 H new ATOM 420 N TRP A 166 29.864 -7.688 -7.491 1.00 0.00 N ATOM 421 CA TRP A 166 28.571 -7.023 -7.428 1.00 0.00 C ATOM 422 C TRP A 166 28.749 -5.583 -6.936 1.00 0.00 C ATOM 423 O TRP A 166 27.959 -4.722 -7.274 1.00 0.00 O ATOM 424 CB TRP A 166 27.625 -7.790 -6.505 1.00 0.00 C ATOM 425 CG TRP A 166 27.820 -9.270 -6.485 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.252 -9.967 -5.430 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.606 -10.254 -7.541 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.326 -11.306 -5.718 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.934 -11.547 -7.021 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.169 -10.198 -8.886 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.832 -12.710 -7.786 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.066 -11.373 -9.662 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.403 -12.623 -9.113 1.00 0.00 C ATOM 0 H TRP A 166 29.929 -8.540 -6.935 1.00 0.00 H new ATOM 0 HA TRP A 166 28.134 -7.002 -8.427 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.745 -7.410 -5.491 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.599 -7.579 -6.805 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.509 -9.533 -4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.629 -12.025 -5.061 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.911 -9.245 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.082 -13.669 -7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.726 -11.311 -10.685 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.330 -13.515 -9.717 1.00 0.00 H new ATOM 444 N ALA A 167 29.792 -5.330 -6.139 1.00 0.00 N ATOM 445 CA ALA A 167 30.053 -4.003 -5.602 1.00 0.00 C ATOM 446 C ALA A 167 30.087 -2.951 -6.717 1.00 0.00 C ATOM 447 O ALA A 167 29.407 -1.931 -6.616 1.00 0.00 O ATOM 448 CB ALA A 167 31.380 -4.023 -4.842 1.00 0.00 C ATOM 0 H ALA A 167 30.470 -6.037 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 167 29.246 -3.732 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.582 -3.032 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.321 -4.743 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.184 -4.308 -5.521 1.00 0.00 H new ATOM 454 N GLU A 168 30.879 -3.192 -7.776 1.00 0.00 N ATOM 455 CA GLU A 168 31.004 -2.234 -8.874 1.00 0.00 C ATOM 456 C GLU A 168 29.992 -2.546 -9.982 1.00 0.00 C ATOM 457 O GLU A 168 29.452 -1.627 -10.593 1.00 0.00 O ATOM 458 CB GLU A 168 32.448 -2.206 -9.418 1.00 0.00 C ATOM 459 CG GLU A 168 33.048 -3.615 -9.505 1.00 0.00 C ATOM 460 CD GLU A 168 34.385 -3.584 -10.248 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.370 -3.165 -11.424 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.399 -3.980 -9.626 1.00 0.00 O ATOM 0 H GLU A 168 31.437 -4.038 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 168 30.779 -1.239 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.456 -1.745 -10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.069 -1.585 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.192 -4.018 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.355 -4.281 -10.019 1.00 0.00 H new ATOM 469 N ILE A 169 29.725 -3.833 -10.243 1.00 0.00 N ATOM 470 CA ILE A 169 28.764 -4.223 -11.271 1.00 0.00 C ATOM 471 C ILE A 169 27.382 -3.651 -10.934 1.00 0.00 C ATOM 472 O ILE A 169 26.706 -3.109 -11.805 1.00 0.00 O ATOM 473 CB ILE A 169 28.716 -5.757 -11.377 1.00 0.00 C ATOM 474 CG1 ILE A 169 30.060 -6.275 -11.917 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.581 -6.174 -12.324 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.131 -7.799 -11.791 1.00 0.00 C ATOM 0 H ILE A 169 30.162 -4.615 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 169 29.074 -3.820 -12.235 1.00 0.00 H new ATOM 0 HB ILE A 169 28.534 -6.184 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.177 -5.984 -12.961 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.882 -5.819 -11.365 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.549 -7.261 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.630 -5.809 -11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.757 -5.749 -13.312 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.087 -8.152 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.036 -8.082 -10.743 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.320 -8.250 -12.364 1.00 0.00 H new ATOM 488 N ALA A 170 26.966 -3.772 -9.667 1.00 0.00 N ATOM 489 CA ALA A 170 25.669 -3.278 -9.223 1.00 0.00 C ATOM 490 C ALA A 170 25.588 -1.761 -9.396 1.00 0.00 C ATOM 491 O ALA A 170 24.508 -1.227 -9.626 1.00 0.00 O ATOM 492 CB ALA A 170 25.441 -3.670 -7.761 1.00 0.00 C ATOM 0 H ALA A 170 27.518 -4.212 -8.931 1.00 0.00 H new ATOM 0 HA ALA A 170 24.887 -3.729 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.470 -3.299 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.465 -4.756 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.225 -3.235 -7.141 1.00 0.00 H new ATOM 498 N LYS A 171 26.729 -1.065 -9.292 1.00 0.00 N ATOM 499 CA LYS A 171 26.763 0.384 -9.463 1.00 0.00 C ATOM 500 C LYS A 171 26.308 0.756 -10.880 1.00 0.00 C ATOM 501 O LYS A 171 25.730 1.822 -11.081 1.00 0.00 O ATOM 502 CB LYS A 171 28.182 0.909 -9.187 1.00 0.00 C ATOM 503 CG LYS A 171 28.157 1.914 -8.030 1.00 0.00 C ATOM 504 CD LYS A 171 27.961 1.172 -6.702 1.00 0.00 C ATOM 505 CE LYS A 171 27.864 2.176 -5.549 1.00 0.00 C ATOM 506 NZ LYS A 171 29.150 2.865 -5.331 1.00 0.00 N ATOM 0 H LYS A 171 27.636 -1.486 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 171 26.079 0.848 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 171 28.844 0.078 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.583 1.384 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.089 2.480 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 171 27.351 2.633 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 171 27.056 0.566 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.793 0.489 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 171 27.088 2.910 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 171 27.567 1.659 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.107 3.409 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.914 2.162 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 29.337 3.510 -6.125 1.00 0.00 H new ATOM 520 N LEU A 172 26.564 -0.127 -11.859 1.00 0.00 N ATOM 521 CA LEU A 172 26.155 0.110 -13.241 1.00 0.00 C ATOM 522 C LEU A 172 24.638 -0.067 -13.376 1.00 0.00 C ATOM 523 O LEU A 172 24.062 0.313 -14.395 1.00 0.00 O ATOM 524 CB LEU A 172 26.890 -0.861 -14.180 1.00 0.00 C ATOM 525 CG LEU A 172 28.412 -0.776 -13.977 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.100 -1.784 -14.900 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.913 0.635 -14.305 1.00 0.00 C ATOM 0 H LEU A 172 27.053 -1.010 -11.712 1.00 0.00 H new ATOM 0 HA LEU A 172 26.415 1.131 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.551 -1.880 -13.994 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.644 -0.628 -15.216 1.00 0.00 H new ATOM 0 HG LEU A 172 28.646 -1.002 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.180 -1.728 -14.760 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.755 -2.790 -14.662 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.856 -1.553 -15.937 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.992 0.682 -14.157 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.678 0.872 -15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.425 1.356 -13.649 1.00 0.00 H new ATOM 539 N LEU A 173 23.997 -0.642 -12.344 1.00 0.00 N ATOM 540 CA LEU A 173 22.557 -0.866 -12.327 1.00 0.00 C ATOM 541 C LEU A 173 21.955 -0.183 -11.092 1.00 0.00 C ATOM 542 O LEU A 173 21.652 -0.855 -10.110 1.00 0.00 O ATOM 543 CB LEU A 173 22.286 -2.380 -12.286 1.00 0.00 C ATOM 544 CG LEU A 173 22.749 -3.053 -13.589 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.713 -4.572 -13.410 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.823 -2.658 -14.745 1.00 0.00 C ATOM 0 H LEU A 173 24.472 -0.962 -11.500 1.00 0.00 H new ATOM 0 HA LEU A 173 22.099 -0.445 -13.222 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.806 -2.824 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.221 -2.560 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 173 23.764 -2.728 -13.819 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.040 -5.055 -14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.377 -4.858 -12.594 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.696 -4.887 -13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.160 -3.140 -15.662 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.805 -2.976 -14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.844 -1.576 -14.875 1.00 0.00 H new ATOM 558 N PRO A 174 21.778 1.158 -11.132 1.00 0.00 N ATOM 559 CA PRO A 174 21.235 1.913 -10.014 1.00 0.00 C ATOM 560 C PRO A 174 19.847 1.404 -9.613 1.00 0.00 C ATOM 561 O PRO A 174 19.483 1.465 -8.441 1.00 0.00 O ATOM 562 CB PRO A 174 21.178 3.372 -10.480 1.00 0.00 C ATOM 563 CG PRO A 174 21.718 3.407 -11.915 1.00 0.00 C ATOM 564 CD PRO A 174 22.115 1.977 -12.279 1.00 0.00 C ATOM 0 HA PRO A 174 21.858 1.803 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.156 3.749 -10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 174 21.776 4.009 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 174 20.961 3.784 -12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.576 4.076 -11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.582 1.640 -13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.180 1.914 -12.503 1.00 0.00 H new ATOM 572 N GLY A 175 19.074 0.904 -10.587 1.00 0.00 N ATOM 573 CA GLY A 175 17.735 0.389 -10.328 1.00 0.00 C ATOM 574 C GLY A 175 17.787 -0.882 -9.470 1.00 0.00 C ATOM 575 O GLY A 175 16.768 -1.291 -8.915 1.00 0.00 O ATOM 0 H GLY A 175 19.361 0.848 -11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.142 1.150 -9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.236 0.173 -11.273 1.00 0.00 H new ATOM 579 N ARG A 176 18.973 -1.504 -9.369 1.00 0.00 N ATOM 580 CA ARG A 176 19.163 -2.722 -8.592 1.00 0.00 C ATOM 581 C ARG A 176 20.199 -2.460 -7.494 1.00 0.00 C ATOM 582 O ARG A 176 20.669 -1.333 -7.345 1.00 0.00 O ATOM 583 CB ARG A 176 19.621 -3.847 -9.530 1.00 0.00 C ATOM 584 CG ARG A 176 18.583 -4.071 -10.648 1.00 0.00 C ATOM 585 CD ARG A 176 17.334 -4.758 -10.081 1.00 0.00 C ATOM 586 NE ARG A 176 16.503 -5.311 -11.163 1.00 0.00 N ATOM 587 CZ ARG A 176 15.571 -6.263 -10.970 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.345 -6.758 -9.746 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.864 -6.720 -12.006 1.00 0.00 N ATOM 0 H ARG A 176 19.821 -1.170 -9.826 1.00 0.00 H new ATOM 0 HA ARG A 176 18.229 -3.025 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.587 -3.594 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.759 -4.768 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.310 -3.116 -11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.016 -4.683 -11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.630 -5.556 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 176 16.753 -4.042 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 176 16.641 -4.954 -12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.881 -6.414 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.637 -7.479 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.031 -6.348 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.157 -7.441 -11.863 1.00 0.00 H new ATOM 603 N THR A 177 20.552 -3.499 -6.717 1.00 0.00 N ATOM 604 CA THR A 177 21.513 -3.358 -5.626 1.00 0.00 C ATOM 605 C THR A 177 22.458 -4.559 -5.583 1.00 0.00 C ATOM 606 O THR A 177 22.171 -5.609 -6.162 1.00 0.00 O ATOM 607 CB THR A 177 20.763 -3.230 -4.290 1.00 0.00 C ATOM 608 OG1 THR A 177 20.027 -4.411 -4.043 1.00 0.00 O ATOM 609 CG2 THR A 177 19.808 -2.033 -4.330 1.00 0.00 C ATOM 0 H THR A 177 20.182 -4.443 -6.830 1.00 0.00 H new ATOM 0 HA THR A 177 22.106 -2.459 -5.795 1.00 0.00 H new ATOM 0 HB THR A 177 21.490 -3.078 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.551 -4.328 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.283 -1.954 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.376 -1.120 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.084 -2.172 -5.133 1.00 0.00 H new ATOM 617 N ASP A 178 23.587 -4.388 -4.877 1.00 0.00 N ATOM 618 CA ASP A 178 24.584 -5.434 -4.698 1.00 0.00 C ATOM 619 C ASP A 178 23.920 -6.700 -4.158 1.00 0.00 C ATOM 620 O ASP A 178 24.065 -7.776 -4.735 1.00 0.00 O ATOM 621 CB ASP A 178 25.650 -4.914 -3.718 1.00 0.00 C ATOM 622 CG ASP A 178 26.669 -5.991 -3.352 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.260 -6.966 -2.682 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.842 -5.814 -3.743 1.00 0.00 O ATOM 0 H ASP A 178 23.827 -3.511 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 178 25.052 -5.684 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.166 -4.063 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.163 -4.553 -2.812 1.00 0.00 H new ATOM 629 N ASN A 179 23.196 -6.559 -3.043 1.00 0.00 N ATOM 630 CA ASN A 179 22.537 -7.678 -2.392 1.00 0.00 C ATOM 631 C ASN A 179 21.560 -8.369 -3.346 1.00 0.00 C ATOM 632 O ASN A 179 21.560 -9.594 -3.444 1.00 0.00 O ATOM 633 CB ASN A 179 21.809 -7.170 -1.144 1.00 0.00 C ATOM 634 CG ASN A 179 21.411 -8.327 -0.236 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.280 -8.798 -0.285 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.346 -8.783 0.600 1.00 0.00 N ATOM 0 H ASN A 179 23.055 -5.665 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 179 23.285 -8.415 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.453 -6.480 -0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.920 -6.612 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 179 22.132 -9.554 1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.274 -8.360 0.606 1.00 0.00 H new ATOM 643 N ALA A 180 20.726 -7.585 -4.042 1.00 0.00 N ATOM 644 CA ALA A 180 19.729 -8.133 -4.954 1.00 0.00 C ATOM 645 C ALA A 180 20.394 -8.979 -6.042 1.00 0.00 C ATOM 646 O ALA A 180 20.018 -10.133 -6.242 1.00 0.00 O ATOM 647 CB ALA A 180 18.927 -6.989 -5.578 1.00 0.00 C ATOM 0 H ALA A 180 20.727 -6.567 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 180 19.055 -8.781 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.181 -7.397 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.428 -6.423 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.600 -6.331 -6.128 1.00 0.00 H new ATOM 653 N ILE A 181 21.375 -8.403 -6.747 1.00 0.00 N ATOM 654 CA ILE A 181 22.063 -9.103 -7.827 1.00 0.00 C ATOM 655 C ILE A 181 22.769 -10.345 -7.284 1.00 0.00 C ATOM 656 O ILE A 181 22.644 -11.425 -7.856 1.00 0.00 O ATOM 657 CB ILE A 181 23.068 -8.156 -8.498 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.313 -7.043 -9.236 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.916 -8.944 -9.502 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.221 -5.830 -9.427 1.00 0.00 C ATOM 0 H ILE A 181 21.707 -7.452 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 181 21.334 -9.424 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 181 23.713 -7.715 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.970 -7.406 -10.205 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.426 -6.758 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.630 -8.274 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.454 -9.736 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.268 -9.383 -10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.675 -5.046 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.542 -5.459 -8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.094 -6.118 -10.012 1.00 0.00 H new ATOM 672 N LYS A 182 23.510 -10.185 -6.185 1.00 0.00 N ATOM 673 CA LYS A 182 24.243 -11.281 -5.571 1.00 0.00 C ATOM 674 C LYS A 182 23.305 -12.454 -5.292 1.00 0.00 C ATOM 675 O LYS A 182 23.553 -13.571 -5.742 1.00 0.00 O ATOM 676 CB LYS A 182 24.882 -10.777 -4.272 1.00 0.00 C ATOM 677 CG LYS A 182 25.533 -11.941 -3.514 1.00 0.00 C ATOM 678 CD LYS A 182 26.411 -11.407 -2.371 1.00 0.00 C ATOM 679 CE LYS A 182 25.616 -10.449 -1.469 1.00 0.00 C ATOM 680 NZ LYS A 182 24.374 -11.074 -0.972 1.00 0.00 N ATOM 0 H LYS A 182 23.615 -9.293 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 182 25.023 -11.631 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.630 -10.017 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.125 -10.304 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.762 -12.599 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.137 -12.537 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.790 -12.240 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.277 -10.889 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.235 -10.146 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.371 -9.544 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 23.987 -10.505 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 23.678 -11.124 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 24.581 -12.034 -0.630 1.00 0.00 H new ATOM 694 N ASN A 183 22.231 -12.194 -4.541 1.00 0.00 N ATOM 695 CA ASN A 183 21.273 -13.225 -4.172 1.00 0.00 C ATOM 696 C ASN A 183 20.682 -13.867 -5.423 1.00 0.00 C ATOM 697 O ASN A 183 20.636 -15.088 -5.528 1.00 0.00 O ATOM 698 CB ASN A 183 20.160 -12.611 -3.315 1.00 0.00 C ATOM 699 CG ASN A 183 20.705 -12.009 -2.020 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.902 -12.088 -1.737 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.820 -11.400 -1.234 1.00 0.00 N ATOM 0 H ASN A 183 22.007 -11.268 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 183 21.783 -13.996 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.646 -11.838 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.421 -13.376 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.124 -10.975 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.838 -11.358 -1.508 1.00 0.00 H new ATOM 708 N HIS A 184 20.224 -13.038 -6.367 1.00 0.00 N ATOM 709 CA HIS A 184 19.615 -13.522 -7.595 1.00 0.00 C ATOM 710 C HIS A 184 20.552 -14.486 -8.319 1.00 0.00 C ATOM 711 O HIS A 184 20.190 -15.635 -8.552 1.00 0.00 O ATOM 712 CB HIS A 184 19.275 -12.331 -8.492 1.00 0.00 C ATOM 713 CG HIS A 184 18.954 -12.742 -9.906 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.995 -13.702 -10.212 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.454 -12.345 -11.121 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.977 -13.818 -11.555 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.847 -13.017 -12.169 1.00 0.00 N ATOM 0 H HIS A 184 20.268 -12.021 -6.296 1.00 0.00 H new ATOM 0 HA HIS A 184 18.701 -14.064 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.424 -11.796 -8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.115 -11.637 -8.501 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.226 -11.600 -11.245 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.321 -14.495 -12.082 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.023 -12.922 -13.169 1.00 0.00 H new ATOM 725 N TRP A 185 21.746 -14.014 -8.682 1.00 0.00 N ATOM 726 CA TRP A 185 22.705 -14.819 -9.416 1.00 0.00 C ATOM 727 C TRP A 185 23.017 -16.112 -8.662 1.00 0.00 C ATOM 728 O TRP A 185 22.946 -17.194 -9.233 1.00 0.00 O ATOM 729 CB TRP A 185 23.979 -13.997 -9.637 1.00 0.00 C ATOM 730 CG TRP A 185 25.044 -14.680 -10.443 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.824 -15.688 -10.018 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.478 -14.414 -11.811 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.710 -16.075 -10.993 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.543 -15.316 -12.133 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.089 -13.503 -12.817 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.180 -15.311 -13.375 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.732 -13.494 -14.073 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.776 -14.395 -14.349 1.00 0.00 C ATOM 0 H TRP A 185 22.067 -13.069 -8.474 1.00 0.00 H new ATOM 0 HA TRP A 185 22.282 -15.096 -10.381 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.710 -13.065 -10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.395 -13.731 -8.665 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.762 -16.136 -9.037 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.397 -16.821 -10.889 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.289 -12.804 -12.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.978 -16.009 -13.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.420 -12.789 -14.829 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.264 -14.379 -15.312 1.00 0.00 H new ATOM 749 N ASN A 186 23.372 -15.998 -7.384 1.00 0.00 N ATOM 750 CA ASN A 186 23.750 -17.155 -6.584 1.00 0.00 C ATOM 751 C ASN A 186 22.601 -18.163 -6.479 1.00 0.00 C ATOM 752 O ASN A 186 22.846 -19.368 -6.467 1.00 0.00 O ATOM 753 CB ASN A 186 24.180 -16.690 -5.186 1.00 0.00 C ATOM 754 CG ASN A 186 25.480 -15.884 -5.235 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.989 -15.572 -6.309 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.017 -15.548 -4.061 1.00 0.00 N ATOM 0 H ASN A 186 23.405 -15.111 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 186 24.583 -17.657 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.390 -16.081 -4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.313 -17.557 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.884 -15.011 -4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.561 -15.828 -3.193 1.00 0.00 H new ATOM 763 N SER A 187 21.356 -17.678 -6.390 1.00 0.00 N ATOM 764 CA SER A 187 20.194 -18.549 -6.228 1.00 0.00 C ATOM 765 C SER A 187 19.498 -18.838 -7.565 1.00 0.00 C ATOM 766 O SER A 187 18.427 -19.442 -7.567 1.00 0.00 O ATOM 767 CB SER A 187 19.213 -17.886 -5.260 1.00 0.00 C ATOM 768 OG SER A 187 19.862 -17.625 -4.032 1.00 0.00 O ATOM 0 H SER A 187 21.131 -16.684 -6.428 1.00 0.00 H new ATOM 0 HA SER A 187 20.535 -19.505 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.836 -16.957 -5.688 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.352 -18.535 -5.097 1.00 0.00 H new ATOM 0 HG SER A 187 20.318 -16.759 -4.081 1.00 0.00 H new ATOM 774 N THR A 188 20.085 -18.417 -8.698 1.00 0.00 N ATOM 775 CA THR A 188 19.474 -18.650 -10.006 1.00 0.00 C ATOM 776 C THR A 188 20.549 -18.948 -11.050 1.00 0.00 C ATOM 777 O THR A 188 20.601 -20.052 -11.594 1.00 0.00 O ATOM 778 CB THR A 188 18.640 -17.422 -10.421 1.00 0.00 C ATOM 779 OG1 THR A 188 17.883 -16.961 -9.322 1.00 0.00 O ATOM 780 CG2 THR A 188 17.693 -17.805 -11.560 1.00 0.00 C ATOM 0 H THR A 188 20.974 -17.918 -8.729 1.00 0.00 H new ATOM 0 HA THR A 188 18.814 -19.515 -9.940 1.00 0.00 H new ATOM 0 HB THR A 188 19.313 -16.632 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 188 18.443 -16.390 -8.756 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.104 -16.935 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.274 -18.153 -12.414 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.026 -18.600 -11.227 1.00 0.00 H new ATOM 788 N MET A 189 21.404 -17.963 -11.335 1.00 0.00 N ATOM 789 CA MET A 189 22.448 -18.107 -12.338 1.00 0.00 C ATOM 790 C MET A 189 23.702 -18.694 -11.696 1.00 0.00 C ATOM 791 O MET A 189 24.797 -18.168 -11.878 1.00 0.00 O ATOM 792 CB MET A 189 22.749 -16.739 -12.961 1.00 0.00 C ATOM 793 CG MET A 189 21.484 -16.155 -13.604 1.00 0.00 C ATOM 794 SD MET A 189 21.679 -14.454 -14.199 1.00 0.00 S ATOM 795 CE MET A 189 22.970 -14.722 -15.438 1.00 0.00 C ATOM 0 H MET A 189 21.388 -17.051 -10.878 1.00 0.00 H new ATOM 0 HA MET A 189 22.113 -18.784 -13.123 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.124 -16.058 -12.196 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.533 -16.838 -13.711 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.187 -16.790 -14.439 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.672 -16.184 -12.877 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.271 -13.764 -15.863 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.831 -15.198 -14.969 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.586 -15.365 -16.230 1.00 0.00 H new ATOM 805 N ARG A 190 23.542 -19.791 -10.944 1.00 0.00 N ATOM 806 CA ARG A 190 24.660 -20.442 -10.278 1.00 0.00 C ATOM 807 C ARG A 190 25.404 -21.333 -11.279 1.00 0.00 C ATOM 808 O ARG A 190 25.621 -22.517 -11.024 1.00 0.00 O ATOM 809 CB ARG A 190 24.132 -21.254 -9.090 1.00 0.00 C ATOM 810 CG ARG A 190 25.271 -21.523 -8.100 1.00 0.00 C ATOM 811 CD ARG A 190 24.787 -22.472 -6.997 1.00 0.00 C ATOM 812 NE ARG A 190 24.356 -23.765 -7.554 1.00 0.00 N ATOM 813 CZ ARG A 190 25.212 -24.696 -8.017 1.00 0.00 C ATOM 814 NH1 ARG A 190 26.535 -24.498 -7.942 1.00 0.00 N ATOM 815 NH2 ARG A 190 24.736 -25.827 -8.555 1.00 0.00 N ATOM 0 H ARG A 190 22.641 -20.242 -10.786 1.00 0.00 H new ATOM 0 HA ARG A 190 25.363 -19.699 -9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.328 -20.710 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.711 -22.197 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.122 -21.961 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.613 -20.586 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.588 -22.633 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.959 -22.013 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 190 23.357 -23.966 -7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 190 26.900 -23.638 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 190 27.178 -25.207 -8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 190 23.729 -25.980 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.380 -26.535 -8.907 1.00 0.00 H new