USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= 0.146 K(o=-0.8,f=-1.5) USER MOD Set 1.2: A 188 THR OG1 : rot 147:sc= 0.344 USER MOD Set 1.3: A 189 MET CE :methyl -138:sc= -1.29 (180deg=-2.02) USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.316 K(o=-0.38,f=-7.4!) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.0592 K(o=-0.38,f=-1.7) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.2: A 160 LYS NZ :NH3+ -144:sc= 1.3 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 171 LYS NZ :NH3+ -152:sc= 2.06 (180deg=1.77) USER MOD Single : A 177 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.17 K(o=1.2,f=-6.4!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.013 -9.259 -12.562 1.00 0.00 N ATOM 89 CA TRP A 147 14.154 -9.139 -13.476 1.00 0.00 C ATOM 90 C TRP A 147 13.700 -9.264 -14.937 1.00 0.00 C ATOM 91 O TRP A 147 12.541 -9.571 -15.213 1.00 0.00 O ATOM 92 CB TRP A 147 15.228 -10.185 -13.130 1.00 0.00 C ATOM 93 CG TRP A 147 16.032 -9.861 -11.910 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.803 -10.321 -10.668 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.203 -9.002 -11.792 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.732 -9.825 -9.782 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.626 -8.996 -10.426 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.958 -8.222 -12.696 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.727 -8.261 -9.985 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.071 -7.479 -12.253 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.452 -7.499 -10.904 1.00 0.00 C ATOM 0 HA TRP A 147 14.595 -8.150 -13.354 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.745 -11.151 -12.986 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.904 -10.290 -13.979 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.998 -10.990 -10.401 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.756 -10.041 -8.785 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.679 -8.195 -13.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.015 -8.281 -8.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.636 -6.889 -12.960 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.306 -6.925 -10.575 1.00 0.00 H new ATOM 112 N THR A 148 14.627 -9.012 -15.872 1.00 0.00 N ATOM 113 CA THR A 148 14.343 -9.087 -17.299 1.00 0.00 C ATOM 114 C THR A 148 15.558 -9.659 -18.022 1.00 0.00 C ATOM 115 O THR A 148 16.678 -9.548 -17.534 1.00 0.00 O ATOM 116 CB THR A 148 14.010 -7.688 -17.845 1.00 0.00 C ATOM 117 OG1 THR A 148 15.113 -6.828 -17.649 1.00 0.00 O ATOM 118 CG2 THR A 148 12.784 -7.115 -17.128 1.00 0.00 C ATOM 0 H THR A 148 15.589 -8.752 -15.654 1.00 0.00 H new ATOM 0 HA THR A 148 13.484 -9.737 -17.466 1.00 0.00 H new ATOM 0 HB THR A 148 13.792 -7.769 -18.910 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.900 -5.938 -17.999 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.560 -6.125 -17.525 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.929 -7.772 -17.288 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.989 -7.040 -16.060 1.00 0.00 H new ATOM 126 N GLU A 149 15.331 -10.268 -19.191 1.00 0.00 N ATOM 127 CA GLU A 149 16.405 -10.854 -19.982 1.00 0.00 C ATOM 128 C GLU A 149 17.459 -9.793 -20.307 1.00 0.00 C ATOM 129 O GLU A 149 18.656 -10.070 -20.256 1.00 0.00 O ATOM 130 CB GLU A 149 15.821 -11.440 -21.272 1.00 0.00 C ATOM 131 CG GLU A 149 14.873 -12.598 -20.941 1.00 0.00 C ATOM 132 CD GLU A 149 14.274 -13.186 -22.213 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.020 -13.903 -22.913 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.081 -12.905 -22.461 1.00 0.00 O ATOM 0 H GLU A 149 14.405 -10.365 -19.608 1.00 0.00 H new ATOM 0 HA GLU A 149 16.884 -11.650 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.285 -10.667 -21.822 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.625 -11.791 -21.918 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.413 -13.372 -20.396 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.075 -12.246 -20.287 1.00 0.00 H new ATOM 141 N GLU A 150 17.008 -8.578 -20.643 1.00 0.00 N ATOM 142 CA GLU A 150 17.905 -7.488 -20.991 1.00 0.00 C ATOM 143 C GLU A 150 18.798 -7.132 -19.800 1.00 0.00 C ATOM 144 O GLU A 150 20.017 -7.099 -19.933 1.00 0.00 O ATOM 145 CB GLU A 150 17.079 -6.279 -21.439 1.00 0.00 C ATOM 146 CG GLU A 150 18.010 -5.174 -21.945 1.00 0.00 C ATOM 147 CD GLU A 150 17.215 -4.050 -22.594 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.265 -3.573 -21.936 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.571 -3.689 -23.737 1.00 0.00 O ATOM 0 H GLU A 150 16.019 -8.332 -20.679 1.00 0.00 H new ATOM 0 HA GLU A 150 18.553 -7.796 -21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.386 -6.573 -22.227 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.478 -5.909 -20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.596 -4.778 -21.116 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.716 -5.589 -22.665 1.00 0.00 H new ATOM 156 N GLU A 151 18.191 -6.864 -18.637 1.00 0.00 N ATOM 157 CA GLU A 151 18.942 -6.503 -17.442 1.00 0.00 C ATOM 158 C GLU A 151 19.910 -7.635 -17.077 1.00 0.00 C ATOM 159 O GLU A 151 21.078 -7.385 -16.779 1.00 0.00 O ATOM 160 CB GLU A 151 17.961 -6.219 -16.298 1.00 0.00 C ATOM 161 CG GLU A 151 18.688 -5.552 -15.124 1.00 0.00 C ATOM 162 CD GLU A 151 18.820 -4.048 -15.331 1.00 0.00 C ATOM 163 OE1 GLU A 151 19.747 -3.650 -16.065 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.987 -3.323 -14.741 1.00 0.00 O ATOM 0 H GLU A 151 17.180 -6.892 -18.505 1.00 0.00 H new ATOM 0 HA GLU A 151 19.530 -5.604 -17.626 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.158 -5.572 -16.651 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.499 -7.149 -15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.144 -5.747 -14.200 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.678 -5.993 -15.010 1.00 0.00 H new ATOM 171 N ASP A 152 19.421 -8.879 -17.110 1.00 0.00 N ATOM 172 CA ASP A 152 20.236 -10.046 -16.797 1.00 0.00 C ATOM 173 C ASP A 152 21.451 -10.104 -17.725 1.00 0.00 C ATOM 174 O ASP A 152 22.546 -10.450 -17.287 1.00 0.00 O ATOM 175 CB ASP A 152 19.387 -11.317 -16.943 1.00 0.00 C ATOM 176 CG ASP A 152 18.391 -11.470 -15.793 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.250 -10.499 -15.019 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.788 -12.563 -15.711 1.00 0.00 O ATOM 0 H ASP A 152 18.455 -9.099 -17.353 1.00 0.00 H new ATOM 0 HA ASP A 152 20.593 -9.973 -15.770 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.847 -11.287 -17.890 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.040 -12.189 -16.976 1.00 0.00 H new ATOM 183 N ARG A 153 21.256 -9.764 -19.008 1.00 0.00 N ATOM 184 CA ARG A 153 22.336 -9.776 -19.988 1.00 0.00 C ATOM 185 C ARG A 153 23.488 -8.883 -19.519 1.00 0.00 C ATOM 186 O ARG A 153 24.654 -9.238 -19.689 1.00 0.00 O ATOM 187 CB ARG A 153 21.799 -9.299 -21.343 1.00 0.00 C ATOM 188 CG ARG A 153 22.829 -9.570 -22.442 1.00 0.00 C ATOM 189 CD ARG A 153 22.328 -8.980 -23.761 1.00 0.00 C ATOM 190 NE ARG A 153 23.310 -9.180 -24.833 1.00 0.00 N ATOM 191 CZ ARG A 153 23.180 -8.638 -26.056 1.00 0.00 C ATOM 192 NH1 ARG A 153 22.119 -7.872 -26.345 1.00 0.00 N ATOM 193 NH2 ARG A 153 24.114 -8.865 -26.989 1.00 0.00 N ATOM 0 H ARG A 153 20.353 -9.477 -19.386 1.00 0.00 H new ATOM 0 HA ARG A 153 22.717 -10.792 -20.095 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.866 -9.812 -21.574 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.574 -8.233 -21.299 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.789 -9.128 -22.174 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.991 -10.643 -22.548 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.383 -9.448 -24.037 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.132 -7.915 -23.636 1.00 0.00 H new ATOM 0 HE ARG A 153 24.129 -9.757 -24.641 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.407 -7.699 -25.636 1.00 0.00 H new ATOM 0 HH12 ARG A 153 22.024 -7.462 -27.274 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.922 -9.448 -26.771 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.017 -8.455 -27.918 1.00 0.00 H new ATOM 207 N ILE A 154 23.164 -7.722 -18.930 1.00 0.00 N ATOM 208 CA ILE A 154 24.182 -6.795 -18.451 1.00 0.00 C ATOM 209 C ILE A 154 25.049 -7.484 -17.399 1.00 0.00 C ATOM 210 O ILE A 154 26.275 -7.430 -17.475 1.00 0.00 O ATOM 211 CB ILE A 154 23.523 -5.532 -17.862 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.541 -4.899 -18.869 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.609 -4.515 -17.486 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.200 -4.703 -20.241 1.00 0.00 C ATOM 0 H ILE A 154 22.205 -7.410 -18.777 1.00 0.00 H new ATOM 0 HA ILE A 154 24.812 -6.493 -19.288 1.00 0.00 H new ATOM 0 HB ILE A 154 22.962 -5.818 -16.972 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.662 -5.535 -18.973 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.195 -3.938 -18.488 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.143 -3.622 -17.070 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.278 -4.954 -16.746 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.179 -4.246 -18.375 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.483 -4.255 -20.929 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.064 -4.046 -20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.522 -5.668 -20.631 1.00 0.00 H new ATOM 226 N ILE A 155 24.411 -8.132 -16.416 1.00 0.00 N ATOM 227 CA ILE A 155 25.132 -8.815 -15.351 1.00 0.00 C ATOM 228 C ILE A 155 25.937 -9.976 -15.933 1.00 0.00 C ATOM 229 O ILE A 155 27.065 -10.195 -15.529 1.00 0.00 O ATOM 230 CB ILE A 155 24.146 -9.308 -14.278 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.437 -8.105 -13.641 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.912 -10.078 -13.188 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.165 -8.561 -12.930 1.00 0.00 C ATOM 0 H ILE A 155 23.396 -8.194 -16.342 1.00 0.00 H new ATOM 0 HA ILE A 155 25.826 -8.119 -14.879 1.00 0.00 H new ATOM 0 HB ILE A 155 23.410 -9.965 -14.741 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.103 -7.614 -12.932 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.191 -7.370 -14.408 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.212 -10.427 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.418 -10.934 -13.635 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.649 -9.420 -12.727 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.670 -7.700 -12.482 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.495 -9.031 -13.650 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.421 -9.279 -12.150 1.00 0.00 H new ATOM 245 N TYR A 156 25.355 -10.718 -16.879 1.00 0.00 N ATOM 246 CA TYR A 156 26.032 -11.852 -17.499 1.00 0.00 C ATOM 247 C TYR A 156 27.344 -11.402 -18.143 1.00 0.00 C ATOM 248 O TYR A 156 28.396 -11.992 -17.889 1.00 0.00 O ATOM 249 CB TYR A 156 25.098 -12.487 -18.535 1.00 0.00 C ATOM 250 CG TYR A 156 25.738 -13.608 -19.329 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.306 -14.712 -18.665 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.759 -13.549 -20.735 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.893 -15.752 -19.406 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.345 -14.591 -21.474 1.00 0.00 C ATOM 255 CZ TYR A 156 26.910 -15.692 -20.809 1.00 0.00 C ATOM 256 OH TYR A 156 27.478 -16.704 -21.528 1.00 0.00 O ATOM 0 H TYR A 156 24.413 -10.550 -17.231 1.00 0.00 H new ATOM 0 HA TYR A 156 26.276 -12.595 -16.739 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.215 -12.873 -18.026 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.757 -11.715 -19.224 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.291 -14.760 -17.586 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.325 -12.703 -21.246 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.331 -16.597 -18.896 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.361 -14.545 -22.553 1.00 0.00 H new ATOM 0 HH TYR A 156 27.405 -16.507 -22.485 1.00 0.00 H new ATOM 266 N GLN A 157 27.281 -10.362 -18.976 1.00 0.00 N ATOM 267 CA GLN A 157 28.454 -9.852 -19.667 1.00 0.00 C ATOM 268 C GLN A 157 29.450 -9.257 -18.667 1.00 0.00 C ATOM 269 O GLN A 157 30.628 -9.617 -18.674 1.00 0.00 O ATOM 270 CB GLN A 157 28.009 -8.797 -20.686 1.00 0.00 C ATOM 271 CG GLN A 157 29.206 -8.351 -21.532 1.00 0.00 C ATOM 272 CD GLN A 157 28.778 -7.359 -22.610 1.00 0.00 C ATOM 273 OE1 GLN A 157 27.676 -6.821 -22.564 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.657 -7.117 -23.582 1.00 0.00 N ATOM 0 H GLN A 157 26.420 -9.857 -19.186 1.00 0.00 H new ATOM 0 HA GLN A 157 28.956 -10.668 -20.188 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.230 -9.206 -21.330 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.578 -7.939 -20.170 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.958 -7.893 -20.890 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.671 -9.220 -21.997 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.562 -7.587 -23.580 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.425 -6.461 -24.328 1.00 0.00 H new ATOM 283 N ALA A 158 28.977 -8.341 -17.816 1.00 0.00 N ATOM 284 CA ALA A 158 29.827 -7.665 -16.844 1.00 0.00 C ATOM 285 C ALA A 158 30.507 -8.673 -15.915 1.00 0.00 C ATOM 286 O ALA A 158 31.692 -8.543 -15.631 1.00 0.00 O ATOM 287 CB ALA A 158 28.980 -6.681 -16.037 1.00 0.00 C ATOM 0 H ALA A 158 27.999 -8.052 -17.785 1.00 0.00 H new ATOM 0 HA ALA A 158 30.611 -7.123 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.610 -6.172 -15.308 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.536 -5.946 -16.709 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.189 -7.222 -15.518 1.00 0.00 H new ATOM 293 N HIS A 159 29.755 -9.669 -15.441 1.00 0.00 N ATOM 294 CA HIS A 159 30.280 -10.672 -14.527 1.00 0.00 C ATOM 295 C HIS A 159 31.370 -11.496 -15.204 1.00 0.00 C ATOM 296 O HIS A 159 32.389 -11.786 -14.594 1.00 0.00 O ATOM 297 CB HIS A 159 29.142 -11.579 -14.052 1.00 0.00 C ATOM 298 CG HIS A 159 29.608 -12.628 -13.081 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.265 -13.787 -13.480 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.530 -12.721 -11.717 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.533 -14.485 -12.361 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.109 -13.889 -11.248 1.00 0.00 N ATOM 0 H HIS A 159 28.772 -9.798 -15.681 1.00 0.00 H new ATOM 0 HA HIS A 159 30.720 -10.170 -13.665 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.369 -10.971 -13.582 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.685 -12.064 -14.914 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.499 -14.056 -14.436 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.073 -11.975 -11.084 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.043 -15.437 -12.365 1.00 0.00 H new ATOM 310 N LYS A 160 31.157 -11.882 -16.461 1.00 0.00 N ATOM 311 CA LYS A 160 32.131 -12.686 -17.180 1.00 0.00 C ATOM 312 C LYS A 160 33.438 -11.906 -17.356 1.00 0.00 C ATOM 313 O LYS A 160 34.518 -12.491 -17.305 1.00 0.00 O ATOM 314 CB LYS A 160 31.547 -13.098 -18.535 1.00 0.00 C ATOM 315 CG LYS A 160 32.482 -14.107 -19.216 1.00 0.00 C ATOM 316 CD LYS A 160 31.874 -14.582 -20.542 1.00 0.00 C ATOM 317 CE LYS A 160 30.620 -15.424 -20.277 1.00 0.00 C ATOM 318 NZ LYS A 160 30.245 -16.201 -21.472 1.00 0.00 N ATOM 0 H LYS A 160 30.321 -11.650 -16.997 1.00 0.00 H new ATOM 0 HA LYS A 160 32.356 -13.586 -16.608 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.559 -13.538 -18.397 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.419 -12.220 -19.169 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.454 -13.648 -19.397 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.650 -14.960 -18.558 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.620 -13.723 -21.163 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.606 -15.170 -21.096 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.801 -16.100 -19.441 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.795 -14.773 -19.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.209 -16.254 -21.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.625 -15.736 -22.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.637 -17.162 -21.398 1.00 0.00 H new ATOM 332 N ARG A 161 33.337 -10.590 -17.567 1.00 0.00 N ATOM 333 CA ARG A 161 34.507 -9.747 -17.770 1.00 0.00 C ATOM 334 C ARG A 161 35.216 -9.462 -16.442 1.00 0.00 C ATOM 335 O ARG A 161 36.436 -9.583 -16.356 1.00 0.00 O ATOM 336 CB ARG A 161 34.071 -8.434 -18.431 1.00 0.00 C ATOM 337 CG ARG A 161 33.641 -8.697 -19.879 1.00 0.00 C ATOM 338 CD ARG A 161 33.034 -7.426 -20.480 1.00 0.00 C ATOM 339 NE ARG A 161 34.035 -6.354 -20.573 1.00 0.00 N ATOM 340 CZ ARG A 161 33.753 -5.123 -21.038 1.00 0.00 C ATOM 341 NH1 ARG A 161 32.511 -4.824 -21.444 1.00 0.00 N ATOM 342 NH2 ARG A 161 34.716 -4.194 -21.094 1.00 0.00 N ATOM 0 H ARG A 161 32.449 -10.088 -17.601 1.00 0.00 H new ATOM 0 HA ARG A 161 35.211 -10.269 -18.418 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.246 -7.992 -17.872 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.891 -7.716 -18.411 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.499 -9.016 -20.471 1.00 0.00 H new ATOM 0 HG3 ARG A 161 32.914 -9.508 -19.910 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.636 -7.643 -21.471 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.197 -7.094 -19.866 1.00 0.00 H new ATOM 0 HE ARG A 161 34.989 -6.552 -20.271 1.00 0.00 H new ATOM 0 HH11 ARG A 161 31.776 -5.530 -21.401 1.00 0.00 H new ATOM 0 HH12 ARG A 161 32.300 -3.890 -21.796 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.661 -4.420 -20.785 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.504 -3.260 -21.446 1.00 0.00 H new ATOM 356 N LEU A 162 34.453 -9.066 -15.415 1.00 0.00 N ATOM 357 CA LEU A 162 35.015 -8.694 -14.120 1.00 0.00 C ATOM 358 C LEU A 162 35.012 -9.879 -13.152 1.00 0.00 C ATOM 359 O LEU A 162 36.075 -10.337 -12.733 1.00 0.00 O ATOM 360 CB LEU A 162 34.199 -7.530 -13.539 1.00 0.00 C ATOM 361 CG LEU A 162 34.407 -6.258 -14.376 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.267 -5.277 -14.097 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.742 -5.601 -14.009 1.00 0.00 C ATOM 0 H LEU A 162 33.436 -8.996 -15.462 1.00 0.00 H new ATOM 0 HA LEU A 162 36.052 -8.388 -14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.141 -7.792 -13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.499 -7.347 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 162 34.417 -6.523 -15.433 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.411 -4.373 -14.689 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.316 -5.738 -14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.260 -5.019 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.881 -4.700 -14.607 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.739 -5.337 -12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.557 -6.297 -14.207 1.00 0.00 H new ATOM 375 N GLY A 163 33.816 -10.357 -12.788 1.00 0.00 N ATOM 376 CA GLY A 163 33.657 -11.448 -11.834 1.00 0.00 C ATOM 377 C GLY A 163 32.486 -11.141 -10.904 1.00 0.00 C ATOM 378 O GLY A 163 31.582 -10.394 -11.274 1.00 0.00 O ATOM 0 H GLY A 163 32.934 -9.994 -13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.480 -12.385 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.572 -11.576 -11.255 1.00 0.00 H new ATOM 382 N ASN A 164 32.506 -11.708 -9.689 1.00 0.00 N ATOM 383 CA ASN A 164 31.448 -11.480 -8.702 1.00 0.00 C ATOM 384 C ASN A 164 31.667 -10.135 -7.999 1.00 0.00 C ATOM 385 O ASN A 164 31.455 -10.024 -6.791 1.00 0.00 O ATOM 386 CB ASN A 164 31.449 -12.621 -7.673 1.00 0.00 C ATOM 387 CG ASN A 164 31.472 -13.991 -8.349 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.506 -14.414 -8.864 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.334 -14.685 -8.345 1.00 0.00 N ATOM 0 H ASN A 164 33.248 -12.330 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 164 30.483 -11.456 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.317 -12.522 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.565 -12.542 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.297 -15.606 -8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.500 -14.295 -7.906 1.00 0.00 H new ATOM 396 N ARG A 165 32.096 -9.115 -8.752 1.00 0.00 N ATOM 397 CA ARG A 165 32.373 -7.802 -8.196 1.00 0.00 C ATOM 398 C ARG A 165 31.094 -6.975 -8.173 1.00 0.00 C ATOM 399 O ARG A 165 30.997 -5.965 -8.863 1.00 0.00 O ATOM 400 CB ARG A 165 33.454 -7.112 -9.039 1.00 0.00 C ATOM 401 CG ARG A 165 34.704 -7.994 -9.112 1.00 0.00 C ATOM 402 CD ARG A 165 35.810 -7.260 -9.877 1.00 0.00 C ATOM 403 NE ARG A 165 36.627 -8.208 -10.648 1.00 0.00 N ATOM 404 CZ ARG A 165 37.517 -9.046 -10.089 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.844 -8.924 -8.794 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.074 -10.009 -10.831 1.00 0.00 N ATOM 0 H ARG A 165 32.257 -9.184 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 165 32.737 -7.901 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.076 -6.919 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.706 -6.146 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.046 -8.241 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.468 -8.935 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.368 -6.524 -10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.442 -6.714 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 165 36.512 -8.231 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.417 -8.192 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.520 -9.563 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.823 -10.104 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.750 -10.648 -10.413 1.00 0.00 H new ATOM 420 N TRP A 166 30.112 -7.403 -7.376 1.00 0.00 N ATOM 421 CA TRP A 166 28.845 -6.691 -7.269 1.00 0.00 C ATOM 422 C TRP A 166 29.102 -5.260 -6.815 1.00 0.00 C ATOM 423 O TRP A 166 28.490 -4.335 -7.321 1.00 0.00 O ATOM 424 CB TRP A 166 27.921 -7.406 -6.284 1.00 0.00 C ATOM 425 CG TRP A 166 28.010 -8.895 -6.309 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.442 -9.655 -5.298 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.678 -9.828 -7.382 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.413 -10.986 -5.629 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.944 -11.156 -6.918 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.182 -9.698 -8.701 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.729 -12.283 -7.712 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.967 -10.837 -9.506 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.245 -12.124 -9.012 1.00 0.00 C ATOM 0 H TRP A 166 30.174 -8.240 -6.797 1.00 0.00 H new ATOM 0 HA TRP A 166 28.359 -6.672 -8.244 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.150 -7.059 -5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.892 -7.114 -6.496 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.771 -9.271 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.698 -11.745 -5.010 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.966 -8.716 -9.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.935 -13.270 -7.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.586 -10.719 -10.510 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.084 -12.989 -9.638 1.00 0.00 H new ATOM 444 N ALA A 167 30.021 -5.084 -5.858 1.00 0.00 N ATOM 445 CA ALA A 167 30.363 -3.765 -5.339 1.00 0.00 C ATOM 446 C ALA A 167 30.700 -2.798 -6.481 1.00 0.00 C ATOM 447 O ALA A 167 30.557 -1.588 -6.317 1.00 0.00 O ATOM 448 CB ALA A 167 31.548 -3.897 -4.382 1.00 0.00 C ATOM 0 H ALA A 167 30.542 -5.848 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 167 29.505 -3.358 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.810 -2.914 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.278 -4.557 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.402 -4.314 -4.916 1.00 0.00 H new ATOM 454 N GLU A 168 31.144 -3.335 -7.629 1.00 0.00 N ATOM 455 CA GLU A 168 31.500 -2.535 -8.791 1.00 0.00 C ATOM 456 C GLU A 168 30.353 -2.546 -9.810 1.00 0.00 C ATOM 457 O GLU A 168 29.806 -1.497 -10.144 1.00 0.00 O ATOM 458 CB GLU A 168 32.780 -3.122 -9.401 1.00 0.00 C ATOM 459 CG GLU A 168 33.246 -2.278 -10.592 1.00 0.00 C ATOM 460 CD GLU A 168 34.422 -2.942 -11.302 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.940 -3.938 -10.746 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.781 -2.443 -12.389 1.00 0.00 O ATOM 0 H GLU A 168 31.263 -4.338 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 168 31.674 -1.499 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.565 -3.160 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.599 -4.147 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.422 -2.144 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.537 -1.285 -10.248 1.00 0.00 H new ATOM 469 N ILE A 169 30.004 -3.740 -10.304 1.00 0.00 N ATOM 470 CA ILE A 169 28.970 -3.910 -11.323 1.00 0.00 C ATOM 471 C ILE A 169 27.651 -3.262 -10.883 1.00 0.00 C ATOM 472 O ILE A 169 26.993 -2.595 -11.681 1.00 0.00 O ATOM 473 CB ILE A 169 28.779 -5.415 -11.595 1.00 0.00 C ATOM 474 CG1 ILE A 169 30.087 -6.010 -12.150 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.649 -5.618 -12.614 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.023 -7.539 -12.133 1.00 0.00 C ATOM 0 H ILE A 169 30.434 -4.615 -10.005 1.00 0.00 H new ATOM 0 HA ILE A 169 29.284 -3.413 -12.241 1.00 0.00 H new ATOM 0 HB ILE A 169 28.519 -5.918 -10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.252 -5.657 -13.168 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.932 -5.668 -11.553 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.517 -6.683 -12.804 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.723 -5.203 -12.218 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.904 -5.113 -13.545 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.954 -7.947 -12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.880 -7.886 -11.110 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.189 -7.875 -12.750 1.00 0.00 H new ATOM 488 N ALA A 170 27.267 -3.462 -9.619 1.00 0.00 N ATOM 489 CA ALA A 170 26.023 -2.919 -9.085 1.00 0.00 C ATOM 490 C ALA A 170 25.974 -1.397 -9.255 1.00 0.00 C ATOM 491 O ALA A 170 24.898 -0.832 -9.422 1.00 0.00 O ATOM 492 CB ALA A 170 25.897 -3.299 -7.607 1.00 0.00 C ATOM 0 H ALA A 170 27.809 -4.002 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 170 25.185 -3.342 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.968 -2.894 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.892 -4.385 -7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.741 -2.889 -7.053 1.00 0.00 H new ATOM 498 N LYS A 171 27.140 -0.733 -9.212 1.00 0.00 N ATOM 499 CA LYS A 171 27.204 0.720 -9.351 1.00 0.00 C ATOM 500 C LYS A 171 26.912 1.116 -10.799 1.00 0.00 C ATOM 501 O LYS A 171 26.286 2.144 -11.045 1.00 0.00 O ATOM 502 CB LYS A 171 28.589 1.235 -8.926 1.00 0.00 C ATOM 503 CG LYS A 171 28.982 0.677 -7.550 1.00 0.00 C ATOM 504 CD LYS A 171 28.058 1.234 -6.454 1.00 0.00 C ATOM 505 CE LYS A 171 27.235 0.098 -5.830 1.00 0.00 C ATOM 506 NZ LYS A 171 28.098 -0.845 -5.091 1.00 0.00 N ATOM 0 H LYS A 171 28.046 -1.183 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 171 26.453 1.172 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.333 0.944 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.582 2.324 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.924 -0.411 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.017 0.938 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.651 1.729 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.392 1.986 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 171 26.487 0.515 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 171 26.696 -0.436 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 27.661 -1.789 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.030 -0.895 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.212 -0.516 -4.111 1.00 0.00 H new ATOM 520 N LEU A 172 27.367 0.296 -11.757 1.00 0.00 N ATOM 521 CA LEU A 172 27.138 0.558 -13.173 1.00 0.00 C ATOM 522 C LEU A 172 25.657 0.355 -13.496 1.00 0.00 C ATOM 523 O LEU A 172 25.117 1.013 -14.384 1.00 0.00 O ATOM 524 CB LEU A 172 28.007 -0.381 -14.025 1.00 0.00 C ATOM 525 CG LEU A 172 29.493 -0.250 -13.643 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.319 -1.215 -14.497 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.978 1.183 -13.885 1.00 0.00 C ATOM 0 H LEU A 172 27.897 -0.555 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 172 27.412 1.588 -13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.681 -1.412 -13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.877 -0.146 -15.081 1.00 0.00 H new ATOM 0 HG LEU A 172 29.612 -0.491 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.372 -1.126 -14.231 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.984 -2.237 -14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.190 -0.970 -15.551 1.00 0.00 H new ATOM 0 HD21 LEU A 172 31.030 1.262 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.858 1.435 -14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.392 1.873 -13.278 1.00 0.00 H new ATOM 539 N LEU A 173 25.007 -0.556 -12.765 1.00 0.00 N ATOM 540 CA LEU A 173 23.593 -0.844 -12.949 1.00 0.00 C ATOM 541 C LEU A 173 22.760 0.241 -12.251 1.00 0.00 C ATOM 542 O LEU A 173 23.296 0.983 -11.428 1.00 0.00 O ATOM 543 CB LEU A 173 23.303 -2.227 -12.343 1.00 0.00 C ATOM 544 CG LEU A 173 23.785 -3.334 -13.290 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.929 -4.640 -12.510 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.772 -3.535 -14.423 1.00 0.00 C ATOM 0 H LEU A 173 25.451 -1.110 -12.032 1.00 0.00 H new ATOM 0 HA LEU A 173 23.332 -0.849 -14.007 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.802 -2.321 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.234 -2.335 -12.161 1.00 0.00 H new ATOM 0 HG LEU A 173 24.747 -3.045 -13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.271 -5.428 -13.180 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.654 -4.506 -11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.965 -4.918 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.123 -4.323 -15.090 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.807 -3.819 -14.002 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.664 -2.606 -14.984 1.00 0.00 H new ATOM 558 N PRO A 174 21.443 0.342 -12.575 1.00 0.00 N ATOM 559 CA PRO A 174 20.546 1.301 -11.941 1.00 0.00 C ATOM 560 C PRO A 174 20.428 1.028 -10.427 1.00 0.00 C ATOM 561 O PRO A 174 21.323 0.437 -9.833 1.00 0.00 O ATOM 562 CB PRO A 174 19.194 1.138 -12.659 1.00 0.00 C ATOM 563 CG PRO A 174 19.399 0.107 -13.774 1.00 0.00 C ATOM 564 CD PRO A 174 20.795 -0.478 -13.584 1.00 0.00 C ATOM 0 HA PRO A 174 20.915 2.323 -12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.425 0.804 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.859 2.090 -13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.642 -0.675 -13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.306 0.574 -14.754 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.741 -1.519 -13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.355 -0.460 -14.519 1.00 0.00 H new ATOM 572 N GLY A 175 19.317 1.463 -9.806 1.00 0.00 N ATOM 573 CA GLY A 175 19.088 1.259 -8.378 1.00 0.00 C ATOM 574 C GLY A 175 18.957 -0.234 -8.064 1.00 0.00 C ATOM 575 O GLY A 175 17.849 -0.739 -7.884 1.00 0.00 O ATOM 0 H GLY A 175 18.564 1.960 -10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.912 1.686 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.183 1.782 -8.070 1.00 0.00 H new ATOM 579 N ARG A 176 20.100 -0.929 -8.009 1.00 0.00 N ATOM 580 CA ARG A 176 20.159 -2.358 -7.745 1.00 0.00 C ATOM 581 C ARG A 176 21.183 -2.603 -6.636 1.00 0.00 C ATOM 582 O ARG A 176 22.374 -2.373 -6.836 1.00 0.00 O ATOM 583 CB ARG A 176 20.579 -3.085 -9.034 1.00 0.00 C ATOM 584 CG ARG A 176 19.632 -2.728 -10.194 1.00 0.00 C ATOM 585 CD ARG A 176 18.975 -3.993 -10.747 1.00 0.00 C ATOM 586 NE ARG A 176 18.102 -3.670 -11.885 1.00 0.00 N ATOM 587 CZ ARG A 176 16.878 -3.128 -11.751 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.378 -2.868 -10.534 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.160 -2.848 -12.842 1.00 0.00 N ATOM 0 H ARG A 176 21.016 -0.503 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 176 19.187 -2.735 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.601 -2.811 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.570 -4.162 -8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.867 -2.033 -9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.187 -2.223 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 176 19.743 -4.700 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.394 -4.480 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 176 18.442 -3.867 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.927 -3.081 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.449 -2.457 -10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.541 -3.045 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.231 -2.437 -12.750 1.00 0.00 H new ATOM 603 N THR A 177 20.725 -3.059 -5.466 1.00 0.00 N ATOM 604 CA THR A 177 21.612 -3.294 -4.335 1.00 0.00 C ATOM 605 C THR A 177 22.503 -4.508 -4.602 1.00 0.00 C ATOM 606 O THR A 177 22.059 -5.497 -5.187 1.00 0.00 O ATOM 607 CB THR A 177 20.781 -3.497 -3.063 1.00 0.00 C ATOM 608 OG1 THR A 177 19.809 -4.494 -3.283 1.00 0.00 O ATOM 609 CG2 THR A 177 20.086 -2.187 -2.684 1.00 0.00 C ATOM 0 H THR A 177 19.744 -3.271 -5.283 1.00 0.00 H new ATOM 0 HA THR A 177 22.257 -2.426 -4.197 1.00 0.00 H new ATOM 0 HB THR A 177 21.441 -3.806 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.281 -4.622 -2.467 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.497 -2.336 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.835 -1.416 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.430 -1.875 -3.497 1.00 0.00 H new ATOM 617 N ASP A 178 23.768 -4.421 -4.164 1.00 0.00 N ATOM 618 CA ASP A 178 24.741 -5.491 -4.334 1.00 0.00 C ATOM 619 C ASP A 178 24.171 -6.817 -3.825 1.00 0.00 C ATOM 620 O ASP A 178 24.324 -7.851 -4.473 1.00 0.00 O ATOM 621 CB ASP A 178 26.018 -5.122 -3.566 1.00 0.00 C ATOM 622 CG ASP A 178 26.366 -3.649 -3.757 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.803 -2.830 -2.999 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.179 -3.365 -4.656 1.00 0.00 O ATOM 0 H ASP A 178 24.138 -3.602 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 178 24.974 -5.612 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.882 -5.332 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.846 -5.742 -3.910 1.00 0.00 H new ATOM 629 N ASN A 179 23.515 -6.777 -2.659 1.00 0.00 N ATOM 630 CA ASN A 179 22.929 -7.963 -2.051 1.00 0.00 C ATOM 631 C ASN A 179 21.876 -8.579 -2.975 1.00 0.00 C ATOM 632 O ASN A 179 21.894 -9.785 -3.214 1.00 0.00 O ATOM 633 CB ASN A 179 22.303 -7.581 -0.708 1.00 0.00 C ATOM 634 CG ASN A 179 21.613 -8.783 -0.070 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.407 -8.955 -0.212 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.383 -9.614 0.633 1.00 0.00 N ATOM 0 H ASN A 179 23.379 -5.923 -2.118 1.00 0.00 H new ATOM 0 HA ASN A 179 23.710 -8.707 -1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.074 -7.200 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.582 -6.777 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.973 -10.434 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.382 -9.430 0.724 1.00 0.00 H new ATOM 643 N ALA A 180 20.956 -7.751 -3.486 1.00 0.00 N ATOM 644 CA ALA A 180 19.888 -8.227 -4.354 1.00 0.00 C ATOM 645 C ALA A 180 20.470 -8.894 -5.597 1.00 0.00 C ATOM 646 O ALA A 180 20.015 -9.967 -5.989 1.00 0.00 O ATOM 647 CB ALA A 180 18.984 -7.058 -4.746 1.00 0.00 C ATOM 0 H ALA A 180 20.936 -6.747 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 180 19.296 -8.968 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.186 -7.417 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.551 -6.616 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.570 -6.306 -5.274 1.00 0.00 H new ATOM 653 N ILE A 181 21.473 -8.262 -6.220 1.00 0.00 N ATOM 654 CA ILE A 181 22.087 -8.807 -7.424 1.00 0.00 C ATOM 655 C ILE A 181 22.772 -10.135 -7.100 1.00 0.00 C ATOM 656 O ILE A 181 22.612 -11.108 -7.834 1.00 0.00 O ATOM 657 CB ILE A 181 23.099 -7.814 -8.010 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.418 -6.475 -8.333 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.674 -8.405 -9.301 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.455 -5.354 -8.304 1.00 0.00 C ATOM 0 H ILE A 181 21.871 -7.377 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 181 21.309 -8.980 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 181 23.890 -7.638 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.946 -6.523 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.628 -6.273 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.396 -7.710 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.169 -9.351 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.867 -8.576 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.971 -4.405 -8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.906 -5.301 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.229 -5.555 -9.045 1.00 0.00 H new ATOM 672 N LYS A 182 23.537 -10.173 -6.001 1.00 0.00 N ATOM 673 CA LYS A 182 24.242 -11.379 -5.592 1.00 0.00 C ATOM 674 C LYS A 182 23.251 -12.531 -5.429 1.00 0.00 C ATOM 675 O LYS A 182 23.474 -13.618 -5.957 1.00 0.00 O ATOM 676 CB LYS A 182 24.989 -11.111 -4.281 1.00 0.00 C ATOM 677 CG LYS A 182 25.777 -12.361 -3.868 1.00 0.00 C ATOM 678 CD LYS A 182 26.674 -12.046 -2.665 1.00 0.00 C ATOM 679 CE LYS A 182 25.818 -11.833 -1.411 1.00 0.00 C ATOM 680 NZ LYS A 182 26.661 -11.729 -0.207 1.00 0.00 N ATOM 0 H LYS A 182 23.679 -9.375 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 182 24.966 -11.659 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.667 -10.266 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.282 -10.840 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.088 -13.168 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.385 -12.709 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.376 -12.864 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.266 -11.153 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.223 -10.926 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.118 -12.661 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.058 -11.585 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.210 -12.605 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.311 -10.924 -0.307 1.00 0.00 H new ATOM 694 N ASN A 183 22.158 -12.288 -4.695 1.00 0.00 N ATOM 695 CA ASN A 183 21.138 -13.300 -4.464 1.00 0.00 C ATOM 696 C ASN A 183 20.523 -13.738 -5.793 1.00 0.00 C ATOM 697 O ASN A 183 20.397 -14.933 -6.055 1.00 0.00 O ATOM 698 CB ASN A 183 20.065 -12.731 -3.533 1.00 0.00 C ATOM 699 CG ASN A 183 18.923 -13.725 -3.347 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.996 -14.604 -2.495 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.867 -13.584 -4.149 1.00 0.00 N ATOM 0 H ASN A 183 21.963 -11.391 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 183 21.589 -14.174 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.507 -12.493 -2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.678 -11.799 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.076 -14.223 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.850 -12.837 -4.844 1.00 0.00 H new ATOM 708 N HIS A 184 20.142 -12.763 -6.628 1.00 0.00 N ATOM 709 CA HIS A 184 19.542 -13.033 -7.928 1.00 0.00 C ATOM 710 C HIS A 184 20.439 -13.965 -8.740 1.00 0.00 C ATOM 711 O HIS A 184 19.962 -14.951 -9.295 1.00 0.00 O ATOM 712 CB HIS A 184 19.323 -11.707 -8.664 1.00 0.00 C ATOM 713 CG HIS A 184 19.314 -11.858 -10.165 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.277 -12.472 -10.859 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.212 -11.485 -11.132 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.606 -12.429 -12.166 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.780 -11.840 -12.399 1.00 0.00 N ATOM 0 H HIS A 184 20.243 -11.770 -6.417 1.00 0.00 H new ATOM 0 HA HIS A 184 18.580 -13.528 -7.793 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.377 -11.272 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.108 -11.007 -8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 184 21.143 -10.976 -10.930 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.980 -12.832 -12.948 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.246 -11.688 -13.293 1.00 0.00 H new ATOM 725 N TRP A 185 21.735 -13.650 -8.811 1.00 0.00 N ATOM 726 CA TRP A 185 22.682 -14.457 -9.559 1.00 0.00 C ATOM 727 C TRP A 185 22.787 -15.850 -8.939 1.00 0.00 C ATOM 728 O TRP A 185 22.736 -16.849 -9.652 1.00 0.00 O ATOM 729 CB TRP A 185 24.045 -13.765 -9.570 1.00 0.00 C ATOM 730 CG TRP A 185 25.113 -14.517 -10.301 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.851 -15.512 -9.792 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.583 -14.355 -11.671 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.741 -15.993 -10.719 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.622 -15.309 -11.910 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.245 -13.503 -12.738 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.282 -15.410 -13.137 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.908 -13.598 -13.979 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.924 -14.549 -14.178 1.00 0.00 C ATOM 0 H TRP A 185 22.147 -12.836 -8.354 1.00 0.00 H new ATOM 0 HA TRP A 185 22.336 -14.566 -10.587 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.935 -12.780 -10.024 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.368 -13.608 -8.541 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.758 -15.887 -8.783 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.400 -16.753 -10.550 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.467 -12.766 -12.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.060 -16.145 -13.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.632 -12.934 -14.785 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.426 -14.614 -15.132 1.00 0.00 H new ATOM 749 N ASN A 186 22.936 -15.915 -7.609 1.00 0.00 N ATOM 750 CA ASN A 186 23.068 -17.185 -6.901 1.00 0.00 C ATOM 751 C ASN A 186 21.696 -17.840 -6.713 1.00 0.00 C ATOM 752 O ASN A 186 21.353 -18.264 -5.610 1.00 0.00 O ATOM 753 CB ASN A 186 23.749 -16.941 -5.547 1.00 0.00 C ATOM 754 CG ASN A 186 25.248 -16.732 -5.721 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.025 -17.678 -5.599 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.655 -15.495 -6.004 1.00 0.00 N ATOM 0 H ASN A 186 22.968 -15.095 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 186 23.682 -17.866 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.309 -16.067 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.571 -17.790 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.649 -15.301 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.973 -14.742 -6.096 1.00 0.00 H new ATOM 763 N SER A 187 20.918 -17.928 -7.797 1.00 0.00 N ATOM 764 CA SER A 187 19.595 -18.531 -7.765 1.00 0.00 C ATOM 765 C SER A 187 19.060 -18.639 -9.190 1.00 0.00 C ATOM 766 O SER A 187 18.711 -19.725 -9.646 1.00 0.00 O ATOM 767 CB SER A 187 18.655 -17.678 -6.899 1.00 0.00 C ATOM 768 OG SER A 187 17.363 -18.250 -6.893 1.00 0.00 O ATOM 0 H SER A 187 21.193 -17.582 -8.716 1.00 0.00 H new ATOM 0 HA SER A 187 19.653 -19.529 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.040 -17.615 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.611 -16.660 -7.287 1.00 0.00 H new ATOM 0 HG SER A 187 16.766 -17.705 -6.339 1.00 0.00 H new ATOM 774 N THR A 188 18.996 -17.500 -9.884 1.00 0.00 N ATOM 775 CA THR A 188 18.477 -17.436 -11.239 1.00 0.00 C ATOM 776 C THR A 188 19.550 -17.858 -12.242 1.00 0.00 C ATOM 777 O THR A 188 19.304 -18.719 -13.085 1.00 0.00 O ATOM 778 CB THR A 188 18.004 -16.002 -11.531 1.00 0.00 C ATOM 779 OG1 THR A 188 17.348 -15.474 -10.395 1.00 0.00 O ATOM 780 CG2 THR A 188 17.039 -16.006 -12.717 1.00 0.00 C ATOM 0 H THR A 188 19.304 -16.600 -9.516 1.00 0.00 H new ATOM 0 HA THR A 188 17.635 -18.121 -11.336 1.00 0.00 H new ATOM 0 HB THR A 188 18.870 -15.385 -11.770 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.512 -14.509 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.707 -14.988 -12.919 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.545 -16.404 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.176 -16.629 -12.482 1.00 0.00 H new ATOM 788 N MET A 189 20.739 -17.239 -12.156 1.00 0.00 N ATOM 789 CA MET A 189 21.827 -17.511 -13.088 1.00 0.00 C ATOM 790 C MET A 189 23.029 -18.090 -12.348 1.00 0.00 C ATOM 791 O MET A 189 24.130 -17.542 -12.424 1.00 0.00 O ATOM 792 CB MET A 189 22.210 -16.212 -13.803 1.00 0.00 C ATOM 793 CG MET A 189 20.998 -15.640 -14.543 1.00 0.00 C ATOM 794 SD MET A 189 21.425 -14.403 -15.793 1.00 0.00 S ATOM 795 CE MET A 189 22.427 -13.298 -14.770 1.00 0.00 C ATOM 0 H MET A 189 20.964 -16.544 -11.444 1.00 0.00 H new ATOM 0 HA MET A 189 21.500 -18.245 -13.824 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.580 -15.485 -13.080 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.020 -16.401 -14.508 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.458 -16.456 -15.022 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.319 -15.191 -13.818 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.180 -12.262 -15.004 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.222 -13.491 -13.717 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.484 -13.474 -14.972 1.00 0.00 H new ATOM 805 N ARG A 190 22.822 -19.203 -11.639 1.00 0.00 N ATOM 806 CA ARG A 190 23.895 -19.859 -10.909 1.00 0.00 C ATOM 807 C ARG A 190 24.512 -20.947 -11.787 1.00 0.00 C ATOM 808 O ARG A 190 23.850 -21.467 -12.684 1.00 0.00 O ATOM 809 CB ARG A 190 23.341 -20.444 -9.604 1.00 0.00 C ATOM 810 CG ARG A 190 24.450 -20.481 -8.546 1.00 0.00 C ATOM 811 CD ARG A 190 23.858 -20.840 -7.179 1.00 0.00 C ATOM 812 NE ARG A 190 24.673 -20.274 -6.096 1.00 0.00 N ATOM 813 CZ ARG A 190 24.383 -20.435 -4.795 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.338 -21.187 -4.424 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.143 -19.838 -3.867 1.00 0.00 N ATOM 0 H ARG A 190 21.916 -19.665 -11.559 1.00 0.00 H new ATOM 0 HA ARG A 190 24.674 -19.140 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.506 -19.841 -9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.957 -21.449 -9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.208 -21.213 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.946 -19.512 -8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.838 -20.463 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.805 -21.924 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 190 25.500 -19.732 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.759 -21.640 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.121 -21.307 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 190 25.937 -19.264 -4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 190 24.927 -19.957 -2.877 1.00 0.00 H new