USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=6 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 159 HIS : no HD1:sc= -0.286 K(o=1.3,f=-1.9) USER MOD Set 1.2: A 164 ASN : amide:sc= 1.59 K(o=1.3,f=-9.1!) USER MOD Single : A 148 THR OG1 : rot -74:sc= 0.938 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 179 ASN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.6) USER MOD Single : A 184 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.73) USER MOD Single : A 186 ASN : amide:sc= 1.89 K(o=1.9,f=-4.1!) USER MOD Single : A 187 SER OG : rot 87:sc= 0.275 USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 189 MET CE :methyl 151:sc= -1.27 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 14.083 -8.952 -12.477 1.00 0.00 N ATOM 89 CA TRP A 147 15.183 -9.345 -13.353 1.00 0.00 C ATOM 90 C TRP A 147 14.676 -9.878 -14.691 1.00 0.00 C ATOM 91 O TRP A 147 14.378 -11.063 -14.831 1.00 0.00 O ATOM 92 CB TRP A 147 16.055 -10.368 -12.639 1.00 0.00 C ATOM 93 CG TRP A 147 16.809 -9.797 -11.486 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.649 -10.126 -10.197 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.836 -8.769 -11.501 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.502 -9.401 -9.396 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.268 -8.536 -10.159 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.448 -8.002 -12.515 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.258 -7.600 -9.847 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.442 -7.055 -12.205 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.848 -6.858 -10.877 1.00 0.00 C ATOM 0 HA TRP A 147 15.784 -8.464 -13.579 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.428 -11.186 -12.285 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.762 -10.794 -13.352 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.945 -10.861 -9.835 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.562 -9.489 -8.382 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.150 -8.144 -13.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.565 -7.451 -8.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.896 -6.476 -12.996 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.616 -6.134 -10.649 1.00 0.00 H new ATOM 112 N THR A 148 14.594 -8.987 -15.677 1.00 0.00 N ATOM 113 CA THR A 148 14.148 -9.346 -17.012 1.00 0.00 C ATOM 114 C THR A 148 15.296 -10.001 -17.783 1.00 0.00 C ATOM 115 O THR A 148 16.462 -9.871 -17.406 1.00 0.00 O ATOM 116 CB THR A 148 13.653 -8.090 -17.740 1.00 0.00 C ATOM 117 OG1 THR A 148 14.690 -7.133 -17.795 1.00 0.00 O ATOM 118 CG2 THR A 148 12.451 -7.498 -17.000 1.00 0.00 C ATOM 0 H THR A 148 14.835 -8.002 -15.569 1.00 0.00 H new ATOM 0 HA THR A 148 13.327 -10.059 -16.946 1.00 0.00 H new ATOM 0 HB THR A 148 13.354 -8.361 -18.753 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.811 -6.730 -16.910 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.105 -6.606 -17.523 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.647 -8.233 -16.965 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.744 -7.232 -15.984 1.00 0.00 H new ATOM 126 N GLU A 149 14.956 -10.705 -18.871 1.00 0.00 N ATOM 127 CA GLU A 149 15.940 -11.387 -19.702 1.00 0.00 C ATOM 128 C GLU A 149 17.008 -10.399 -20.187 1.00 0.00 C ATOM 129 O GLU A 149 18.181 -10.755 -20.308 1.00 0.00 O ATOM 130 CB GLU A 149 15.220 -12.033 -20.890 1.00 0.00 C ATOM 131 CG GLU A 149 16.102 -13.120 -21.507 1.00 0.00 C ATOM 132 CD GLU A 149 15.558 -13.551 -22.860 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.884 -12.855 -23.848 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.829 -14.563 -22.885 1.00 0.00 O ATOM 0 H GLU A 149 13.994 -10.814 -19.193 1.00 0.00 H new ATOM 0 HA GLU A 149 16.442 -12.159 -19.119 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.274 -12.463 -20.562 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.984 -11.276 -21.638 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.120 -12.748 -21.621 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.150 -13.979 -20.838 1.00 0.00 H new ATOM 141 N GLU A 150 16.599 -9.155 -20.465 1.00 0.00 N ATOM 142 CA GLU A 150 17.516 -8.130 -20.932 1.00 0.00 C ATOM 143 C GLU A 150 18.559 -7.834 -19.853 1.00 0.00 C ATOM 144 O GLU A 150 19.752 -7.795 -20.142 1.00 0.00 O ATOM 145 CB GLU A 150 16.725 -6.870 -21.295 1.00 0.00 C ATOM 146 CG GLU A 150 17.633 -5.887 -22.038 1.00 0.00 C ATOM 147 CD GLU A 150 16.842 -4.677 -22.517 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.130 -4.831 -23.533 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.963 -3.623 -21.859 1.00 0.00 O ATOM 0 H GLU A 150 15.633 -8.842 -20.371 1.00 0.00 H new ATOM 0 HA GLU A 150 18.041 -8.480 -21.821 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.870 -7.133 -21.918 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.330 -6.404 -20.392 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.440 -5.563 -21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.096 -6.385 -22.890 1.00 0.00 H new ATOM 156 N GLU A 151 18.107 -7.630 -18.610 1.00 0.00 N ATOM 157 CA GLU A 151 19.004 -7.337 -17.501 1.00 0.00 C ATOM 158 C GLU A 151 20.001 -8.479 -17.314 1.00 0.00 C ATOM 159 O GLU A 151 21.193 -8.235 -17.147 1.00 0.00 O ATOM 160 CB GLU A 151 18.194 -7.134 -16.220 1.00 0.00 C ATOM 161 CG GLU A 151 17.382 -5.842 -16.307 1.00 0.00 C ATOM 162 CD GLU A 151 16.438 -5.729 -15.119 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.320 -6.284 -15.222 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.847 -5.094 -14.122 1.00 0.00 O ATOM 0 H GLU A 151 17.121 -7.664 -18.353 1.00 0.00 H new ATOM 0 HA GLU A 151 19.556 -6.424 -17.723 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.526 -7.982 -16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.863 -7.094 -15.361 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.053 -4.984 -16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.812 -5.825 -17.236 1.00 0.00 H new ATOM 171 N ASP A 152 19.507 -9.724 -17.337 1.00 0.00 N ATOM 172 CA ASP A 152 20.351 -10.901 -17.145 1.00 0.00 C ATOM 173 C ASP A 152 21.577 -10.842 -18.059 1.00 0.00 C ATOM 174 O ASP A 152 22.686 -11.138 -17.619 1.00 0.00 O ATOM 175 CB ASP A 152 19.534 -12.170 -17.417 1.00 0.00 C ATOM 176 CG ASP A 152 18.369 -12.304 -16.439 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.481 -11.733 -15.333 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.389 -12.979 -16.820 1.00 0.00 O ATOM 0 H ASP A 152 18.521 -9.938 -17.488 1.00 0.00 H new ATOM 0 HA ASP A 152 20.703 -10.920 -16.114 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.153 -12.147 -18.438 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.180 -13.044 -17.337 1.00 0.00 H new ATOM 183 N ARG A 153 21.381 -10.457 -19.329 1.00 0.00 N ATOM 184 CA ARG A 153 22.482 -10.361 -20.282 1.00 0.00 C ATOM 185 C ARG A 153 23.538 -9.373 -19.777 1.00 0.00 C ATOM 186 O ARG A 153 24.734 -9.649 -19.870 1.00 0.00 O ATOM 187 CB ARG A 153 21.950 -9.922 -21.650 1.00 0.00 C ATOM 188 CG ARG A 153 21.398 -11.131 -22.408 1.00 0.00 C ATOM 189 CD ARG A 153 20.853 -10.678 -23.767 1.00 0.00 C ATOM 190 NE ARG A 153 19.475 -10.178 -23.645 1.00 0.00 N ATOM 191 CZ ARG A 153 18.392 -10.975 -23.724 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.531 -12.299 -23.852 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.165 -10.446 -23.676 1.00 0.00 N ATOM 0 H ARG A 153 20.469 -10.209 -19.713 1.00 0.00 H new ATOM 0 HA ARG A 153 22.949 -11.341 -20.384 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.168 -9.174 -21.522 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.748 -9.454 -22.227 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.183 -11.875 -22.549 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.608 -11.607 -21.828 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.492 -9.896 -24.176 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.880 -11.511 -24.469 1.00 0.00 H new ATOM 0 HE ARG A 153 19.333 -9.179 -23.493 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.463 -12.713 -23.890 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.705 -12.895 -23.911 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.048 -9.437 -23.579 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.346 -11.051 -23.736 1.00 0.00 H new ATOM 207 N ILE A 154 23.099 -8.223 -19.244 1.00 0.00 N ATOM 208 CA ILE A 154 24.019 -7.207 -18.742 1.00 0.00 C ATOM 209 C ILE A 154 24.859 -7.790 -17.608 1.00 0.00 C ATOM 210 O ILE A 154 26.079 -7.628 -17.593 1.00 0.00 O ATOM 211 CB ILE A 154 23.238 -5.972 -18.250 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.272 -5.458 -19.339 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.226 -4.862 -17.868 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.995 -5.267 -20.678 1.00 0.00 C ATOM 0 H ILE A 154 22.113 -7.979 -19.152 1.00 0.00 H new ATOM 0 HA ILE A 154 24.680 -6.895 -19.551 1.00 0.00 H new ATOM 0 HB ILE A 154 22.649 -6.259 -17.379 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.451 -6.165 -19.464 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.833 -4.512 -19.022 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.675 -3.988 -17.520 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.883 -5.217 -17.074 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.823 -4.591 -18.739 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.288 -4.904 -21.425 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.799 -4.541 -20.557 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.412 -6.219 -21.005 1.00 0.00 H new ATOM 226 N ILE A 155 24.204 -8.467 -16.656 1.00 0.00 N ATOM 227 CA ILE A 155 24.898 -9.055 -15.518 1.00 0.00 C ATOM 228 C ILE A 155 25.889 -10.107 -16.012 1.00 0.00 C ATOM 229 O ILE A 155 27.011 -10.166 -15.532 1.00 0.00 O ATOM 230 CB ILE A 155 23.895 -9.688 -14.538 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.801 -8.681 -14.153 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.637 -10.126 -13.269 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.699 -9.398 -13.372 1.00 0.00 C ATOM 0 H ILE A 155 23.195 -8.618 -16.657 1.00 0.00 H new ATOM 0 HA ILE A 155 25.439 -8.269 -14.991 1.00 0.00 H new ATOM 0 HB ILE A 155 23.430 -10.547 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.226 -7.879 -13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.385 -8.220 -15.049 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.930 -10.575 -12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.404 -10.856 -13.529 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.105 -9.259 -12.803 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.923 -8.683 -13.099 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.267 -10.184 -13.991 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.121 -9.838 -12.469 1.00 0.00 H new ATOM 245 N TYR A 156 25.466 -10.940 -16.971 1.00 0.00 N ATOM 246 CA TYR A 156 26.311 -11.997 -17.509 1.00 0.00 C ATOM 247 C TYR A 156 27.583 -11.404 -18.112 1.00 0.00 C ATOM 248 O TYR A 156 28.684 -11.849 -17.795 1.00 0.00 O ATOM 249 CB TYR A 156 25.522 -12.795 -18.555 1.00 0.00 C ATOM 250 CG TYR A 156 26.091 -14.176 -18.810 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.959 -15.178 -17.832 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.746 -14.461 -20.022 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.484 -16.460 -18.062 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.269 -15.746 -20.252 1.00 0.00 C ATOM 255 CZ TYR A 156 27.139 -16.745 -19.271 1.00 0.00 C ATOM 256 OH TYR A 156 27.648 -17.993 -19.494 1.00 0.00 O ATOM 0 H TYR A 156 24.536 -10.896 -17.388 1.00 0.00 H new ATOM 0 HA TYR A 156 26.608 -12.671 -16.706 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.488 -12.891 -18.224 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.507 -12.237 -19.491 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.453 -14.961 -16.903 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.847 -13.694 -20.775 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.384 -17.227 -17.309 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.771 -15.966 -21.183 1.00 0.00 H new ATOM 0 HH TYR A 156 28.068 -18.022 -20.379 1.00 0.00 H new ATOM 266 N GLN A 157 27.431 -10.400 -18.979 1.00 0.00 N ATOM 267 CA GLN A 157 28.566 -9.756 -19.620 1.00 0.00 C ATOM 268 C GLN A 157 29.490 -9.145 -18.564 1.00 0.00 C ATOM 269 O GLN A 157 30.703 -9.364 -18.593 1.00 0.00 O ATOM 270 CB GLN A 157 28.052 -8.682 -20.584 1.00 0.00 C ATOM 271 CG GLN A 157 29.224 -8.069 -21.356 1.00 0.00 C ATOM 272 CD GLN A 157 28.728 -7.046 -22.370 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.784 -7.285 -23.573 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.243 -5.904 -21.883 1.00 0.00 N ATOM 0 H GLN A 157 26.525 -10.018 -19.250 1.00 0.00 H new ATOM 0 HA GLN A 157 29.140 -10.493 -20.182 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.336 -9.119 -21.280 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.525 -7.906 -20.029 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.914 -7.593 -20.660 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.779 -8.855 -21.868 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.216 -5.750 -20.875 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.898 -5.184 -22.518 1.00 0.00 H new ATOM 283 N ALA A 158 28.913 -8.374 -17.637 1.00 0.00 N ATOM 284 CA ALA A 158 29.679 -7.710 -16.594 1.00 0.00 C ATOM 285 C ALA A 158 30.380 -8.733 -15.695 1.00 0.00 C ATOM 286 O ALA A 158 31.497 -8.495 -15.250 1.00 0.00 O ATOM 287 CB ALA A 158 28.743 -6.823 -15.774 1.00 0.00 C ATOM 0 H ALA A 158 27.909 -8.198 -17.594 1.00 0.00 H new ATOM 0 HA ALA A 158 30.451 -7.094 -17.054 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.311 -6.322 -14.990 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.286 -6.077 -16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.964 -7.436 -15.322 1.00 0.00 H new ATOM 293 N HIS A 159 29.723 -9.867 -15.427 1.00 0.00 N ATOM 294 CA HIS A 159 30.286 -10.901 -14.572 1.00 0.00 C ATOM 295 C HIS A 159 31.472 -11.570 -15.263 1.00 0.00 C ATOM 296 O HIS A 159 32.481 -11.840 -14.629 1.00 0.00 O ATOM 297 CB HIS A 159 29.207 -11.931 -14.229 1.00 0.00 C ATOM 298 CG HIS A 159 29.693 -12.973 -13.256 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.455 -14.069 -13.644 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.543 -13.113 -11.899 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.709 -14.782 -12.528 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.179 -14.252 -11.425 1.00 0.00 N ATOM 0 H HIS A 159 28.797 -10.086 -15.795 1.00 0.00 H new ATOM 0 HA HIS A 159 30.643 -10.447 -13.647 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.342 -11.419 -13.807 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.873 -12.420 -15.144 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.996 -12.421 -11.276 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.286 -15.695 -12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.229 -14.599 -10.467 1.00 0.00 H new ATOM 310 N LYS A 160 31.356 -11.841 -16.564 1.00 0.00 N ATOM 311 CA LYS A 160 32.440 -12.469 -17.305 1.00 0.00 C ATOM 312 C LYS A 160 33.662 -11.550 -17.323 1.00 0.00 C ATOM 313 O LYS A 160 34.792 -12.019 -17.207 1.00 0.00 O ATOM 314 CB LYS A 160 31.982 -12.768 -18.736 1.00 0.00 C ATOM 315 CG LYS A 160 31.070 -14.001 -18.751 1.00 0.00 C ATOM 316 CD LYS A 160 30.811 -14.444 -20.198 1.00 0.00 C ATOM 317 CE LYS A 160 30.114 -13.322 -20.979 1.00 0.00 C ATOM 318 NZ LYS A 160 29.691 -13.787 -22.311 1.00 0.00 N ATOM 0 H LYS A 160 30.526 -11.635 -17.120 1.00 0.00 H new ATOM 0 HA LYS A 160 32.713 -13.405 -16.817 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.450 -11.908 -19.143 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.848 -12.939 -19.375 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.533 -14.813 -18.191 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.126 -13.771 -18.258 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.753 -14.702 -20.681 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.192 -15.341 -20.206 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.246 -12.971 -20.421 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.790 -12.474 -21.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.223 -13.009 -22.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.524 -14.100 -22.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.028 -14.581 -22.207 1.00 0.00 H new ATOM 332 N ARG A 161 33.430 -10.243 -17.477 1.00 0.00 N ATOM 333 CA ARG A 161 34.506 -9.267 -17.547 1.00 0.00 C ATOM 334 C ARG A 161 35.130 -9.030 -16.167 1.00 0.00 C ATOM 335 O ARG A 161 36.353 -9.040 -16.034 1.00 0.00 O ATOM 336 CB ARG A 161 33.944 -7.960 -18.119 1.00 0.00 C ATOM 337 CG ARG A 161 35.070 -6.936 -18.291 1.00 0.00 C ATOM 338 CD ARG A 161 34.516 -5.673 -18.954 1.00 0.00 C ATOM 339 NE ARG A 161 35.562 -4.650 -19.085 1.00 0.00 N ATOM 340 CZ ARG A 161 35.346 -3.447 -19.644 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.134 -3.135 -20.126 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.344 -2.558 -19.721 1.00 0.00 N ATOM 0 H ARG A 161 32.496 -9.840 -17.556 1.00 0.00 H new ATOM 0 HA ARG A 161 35.295 -9.646 -18.196 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.465 -8.150 -19.079 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.178 -7.562 -17.454 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.503 -6.690 -17.322 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.870 -7.358 -18.900 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.116 -5.919 -19.938 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.689 -5.280 -18.363 1.00 0.00 H new ATOM 0 HE ARG A 161 36.496 -4.863 -18.735 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.373 -3.812 -20.069 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.973 -2.221 -20.550 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.267 -2.794 -19.356 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.182 -1.645 -20.145 1.00 0.00 H new ATOM 356 N LEU A 162 34.292 -8.794 -15.149 1.00 0.00 N ATOM 357 CA LEU A 162 34.765 -8.469 -13.807 1.00 0.00 C ATOM 358 C LEU A 162 34.799 -9.713 -12.914 1.00 0.00 C ATOM 359 O LEU A 162 35.863 -10.093 -12.426 1.00 0.00 O ATOM 360 CB LEU A 162 33.846 -7.396 -13.198 1.00 0.00 C ATOM 361 CG LEU A 162 33.767 -6.160 -14.112 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.754 -5.170 -13.531 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.139 -5.484 -14.207 1.00 0.00 C ATOM 0 H LEU A 162 33.276 -8.824 -15.236 1.00 0.00 H new ATOM 0 HA LEU A 162 35.784 -8.087 -13.874 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.848 -7.808 -13.049 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.220 -7.105 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 162 33.455 -6.472 -15.109 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.693 -4.292 -14.174 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.775 -5.645 -13.471 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.072 -4.868 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.070 -4.611 -14.856 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.461 -5.173 -13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.863 -6.187 -14.619 1.00 0.00 H new ATOM 375 N GLY A 163 33.633 -10.330 -12.687 1.00 0.00 N ATOM 376 CA GLY A 163 33.511 -11.491 -11.810 1.00 0.00 C ATOM 377 C GLY A 163 32.371 -11.253 -10.827 1.00 0.00 C ATOM 378 O GLY A 163 31.362 -10.650 -11.186 1.00 0.00 O ATOM 0 H GLY A 163 32.751 -10.036 -13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.320 -12.389 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.444 -11.656 -11.271 1.00 0.00 H new ATOM 382 N ASN A 164 32.532 -11.712 -9.577 1.00 0.00 N ATOM 383 CA ASN A 164 31.517 -11.509 -8.544 1.00 0.00 C ATOM 384 C ASN A 164 31.719 -10.141 -7.886 1.00 0.00 C ATOM 385 O ASN A 164 31.405 -9.965 -6.710 1.00 0.00 O ATOM 386 CB ASN A 164 31.607 -12.622 -7.491 1.00 0.00 C ATOM 387 CG ASN A 164 31.544 -14.006 -8.132 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.460 -14.533 -8.373 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.708 -14.599 -8.405 1.00 0.00 N ATOM 0 H ASN A 164 33.355 -12.225 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 164 30.528 -11.542 -9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.537 -12.521 -6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.792 -12.514 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.721 -15.526 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.585 -14.125 -8.188 1.00 0.00 H new ATOM 396 N ARG A 165 32.246 -9.173 -8.646 1.00 0.00 N ATOM 397 CA ARG A 165 32.493 -7.834 -8.141 1.00 0.00 C ATOM 398 C ARG A 165 31.196 -7.035 -8.194 1.00 0.00 C ATOM 399 O ARG A 165 31.088 -6.061 -8.940 1.00 0.00 O ATOM 400 CB ARG A 165 33.582 -7.168 -8.990 1.00 0.00 C ATOM 401 CG ARG A 165 34.941 -7.814 -8.699 1.00 0.00 C ATOM 402 CD ARG A 165 35.888 -7.571 -9.877 1.00 0.00 C ATOM 403 NE ARG A 165 37.255 -8.003 -9.558 1.00 0.00 N ATOM 404 CZ ARG A 165 38.152 -7.225 -8.920 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.821 -5.991 -8.514 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.386 -7.690 -8.689 1.00 0.00 N ATOM 0 H ARG A 165 32.509 -9.304 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 165 32.836 -7.874 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.342 -7.268 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.623 -6.101 -8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.365 -7.396 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.818 -8.884 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.529 -8.111 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.889 -6.512 -10.133 1.00 0.00 H new ATOM 0 HE ARG A 165 37.541 -8.942 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.882 -5.632 -8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.508 -5.411 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.643 -8.628 -8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.069 -7.106 -8.207 1.00 0.00 H new ATOM 420 N TRP A 166 30.205 -7.450 -7.399 1.00 0.00 N ATOM 421 CA TRP A 166 28.917 -6.776 -7.366 1.00 0.00 C ATOM 422 C TRP A 166 29.096 -5.335 -6.909 1.00 0.00 C ATOM 423 O TRP A 166 28.303 -4.487 -7.258 1.00 0.00 O ATOM 424 CB TRP A 166 27.952 -7.511 -6.443 1.00 0.00 C ATOM 425 CG TRP A 166 28.143 -8.986 -6.376 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.625 -9.638 -5.322 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.875 -10.010 -7.380 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.682 -10.989 -5.554 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.223 -11.282 -6.825 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.375 -10.005 -8.702 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.079 -12.475 -7.536 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.228 -11.210 -9.424 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.580 -12.440 -8.841 1.00 0.00 C ATOM 0 H TRP A 166 30.277 -8.251 -6.772 1.00 0.00 H new ATOM 0 HA TRP A 166 28.495 -6.777 -8.371 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.052 -7.101 -5.438 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.933 -7.307 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.932 -9.165 -4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.016 -11.681 -4.883 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.102 -9.069 -9.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.351 -13.416 -7.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.842 -11.186 -10.432 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.465 -13.356 -9.401 1.00 0.00 H new ATOM 444 N ALA A 167 30.144 -5.055 -6.131 1.00 0.00 N ATOM 445 CA ALA A 167 30.411 -3.700 -5.678 1.00 0.00 C ATOM 446 C ALA A 167 30.575 -2.775 -6.890 1.00 0.00 C ATOM 447 O ALA A 167 30.230 -1.599 -6.823 1.00 0.00 O ATOM 448 CB ALA A 167 31.675 -3.693 -4.817 1.00 0.00 C ATOM 0 H ALA A 167 30.816 -5.750 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 167 29.576 -3.339 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.877 -2.678 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.531 -4.344 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.519 -4.053 -5.406 1.00 0.00 H new ATOM 454 N GLU A 168 31.102 -3.320 -7.997 1.00 0.00 N ATOM 455 CA GLU A 168 31.318 -2.561 -9.220 1.00 0.00 C ATOM 456 C GLU A 168 30.069 -2.629 -10.104 1.00 0.00 C ATOM 457 O GLU A 168 29.577 -1.599 -10.563 1.00 0.00 O ATOM 458 CB GLU A 168 32.534 -3.135 -9.957 1.00 0.00 C ATOM 459 CG GLU A 168 33.795 -2.964 -9.099 1.00 0.00 C ATOM 460 CD GLU A 168 34.944 -3.807 -9.641 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.078 -3.860 -10.881 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.668 -4.386 -8.801 1.00 0.00 O ATOM 0 H GLU A 168 31.387 -4.297 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 168 31.508 -1.515 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.373 -4.191 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.663 -2.628 -10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.087 -1.914 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.581 -3.253 -8.070 1.00 0.00 H new ATOM 469 N ILE A 169 29.559 -3.846 -10.342 1.00 0.00 N ATOM 470 CA ILE A 169 28.378 -4.047 -11.182 1.00 0.00 C ATOM 471 C ILE A 169 27.205 -3.227 -10.632 1.00 0.00 C ATOM 472 O ILE A 169 26.519 -2.533 -11.380 1.00 0.00 O ATOM 473 CB ILE A 169 28.018 -5.546 -11.219 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.190 -6.365 -11.790 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.781 -5.754 -12.103 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.141 -7.798 -11.249 1.00 0.00 C ATOM 0 H ILE A 169 29.951 -4.707 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 169 28.592 -3.712 -12.197 1.00 0.00 H new ATOM 0 HB ILE A 169 27.810 -5.881 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.140 -6.377 -12.879 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.137 -5.898 -11.520 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.527 -6.814 -12.129 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.943 -5.189 -11.695 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.994 -5.407 -13.114 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.974 -8.370 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.213 -7.779 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.201 -8.266 -11.542 1.00 0.00 H new ATOM 488 N ALA A 170 26.988 -3.318 -9.319 1.00 0.00 N ATOM 489 CA ALA A 170 25.912 -2.611 -8.644 1.00 0.00 C ATOM 490 C ALA A 170 26.060 -1.101 -8.841 1.00 0.00 C ATOM 491 O ALA A 170 25.078 -0.416 -9.103 1.00 0.00 O ATOM 492 CB ALA A 170 25.934 -2.975 -7.154 1.00 0.00 C ATOM 0 H ALA A 170 27.560 -3.888 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 170 24.953 -2.907 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.130 -2.449 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.796 -4.050 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.892 -2.685 -6.723 1.00 0.00 H new ATOM 498 N LYS A 171 27.289 -0.579 -8.720 1.00 0.00 N ATOM 499 CA LYS A 171 27.537 0.846 -8.902 1.00 0.00 C ATOM 500 C LYS A 171 27.208 1.251 -10.340 1.00 0.00 C ATOM 501 O LYS A 171 26.654 2.325 -10.569 1.00 0.00 O ATOM 502 CB LYS A 171 28.999 1.166 -8.569 1.00 0.00 C ATOM 503 CG LYS A 171 29.201 1.189 -7.048 1.00 0.00 C ATOM 504 CD LYS A 171 28.774 2.548 -6.482 1.00 0.00 C ATOM 505 CE LYS A 171 29.016 2.572 -4.971 1.00 0.00 C ATOM 506 NZ LYS A 171 28.624 3.870 -4.392 1.00 0.00 N ATOM 0 H LYS A 171 28.121 -1.126 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 171 26.896 1.414 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.654 0.420 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.274 2.131 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.618 0.393 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.247 0.999 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.337 3.347 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.720 2.727 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 171 28.448 1.772 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.069 2.381 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 28.798 3.860 -3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.184 4.629 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 27.613 4.038 -4.570 1.00 0.00 H new ATOM 520 N LEU A 172 27.547 0.388 -11.308 1.00 0.00 N ATOM 521 CA LEU A 172 27.274 0.656 -12.715 1.00 0.00 C ATOM 522 C LEU A 172 25.765 0.587 -12.986 1.00 0.00 C ATOM 523 O LEU A 172 25.290 1.175 -13.957 1.00 0.00 O ATOM 524 CB LEU A 172 28.026 -0.360 -13.586 1.00 0.00 C ATOM 525 CG LEU A 172 29.539 -0.091 -13.535 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.295 -1.344 -13.984 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.896 1.074 -14.466 1.00 0.00 C ATOM 0 H LEU A 172 28.012 -0.503 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 172 27.619 1.660 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.818 -1.372 -13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.673 -0.298 -14.616 1.00 0.00 H new ATOM 0 HG LEU A 172 29.821 0.165 -12.514 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.368 -1.154 -13.948 1.00 0.00 H new ATOM 0 HD12 LEU A 172 30.051 -2.174 -13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.005 -1.598 -15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.970 1.258 -14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.611 0.824 -15.488 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.362 1.970 -14.149 1.00 0.00 H new ATOM 539 N LEU A 173 25.015 -0.127 -12.126 1.00 0.00 N ATOM 540 CA LEU A 173 23.567 -0.263 -12.265 1.00 0.00 C ATOM 541 C LEU A 173 22.877 0.257 -10.995 1.00 0.00 C ATOM 542 O LEU A 173 22.441 -0.541 -10.167 1.00 0.00 O ATOM 543 CB LEU A 173 23.216 -1.743 -12.493 1.00 0.00 C ATOM 544 CG LEU A 173 23.856 -2.266 -13.790 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.655 -3.780 -13.873 1.00 0.00 C ATOM 546 CD2 LEU A 173 23.203 -1.603 -15.008 1.00 0.00 C ATOM 0 H LEU A 173 25.401 -0.621 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 173 23.221 0.322 -13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.562 -2.337 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.134 -1.860 -12.544 1.00 0.00 H new ATOM 0 HG LEU A 173 24.920 -2.029 -13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.107 -4.157 -14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.126 -4.257 -13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.589 -4.006 -13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.665 -1.982 -15.920 1.00 0.00 H new ATOM 0 HD22 LEU A 173 22.137 -1.832 -15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 173 23.342 -0.523 -14.953 1.00 0.00 H new ATOM 558 N PRO A 174 22.772 1.598 -10.835 1.00 0.00 N ATOM 559 CA PRO A 174 22.161 2.205 -9.662 1.00 0.00 C ATOM 560 C PRO A 174 20.715 1.736 -9.467 1.00 0.00 C ATOM 561 O PRO A 174 20.219 1.725 -8.343 1.00 0.00 O ATOM 562 CB PRO A 174 22.226 3.719 -9.890 1.00 0.00 C ATOM 563 CG PRO A 174 22.896 3.940 -11.251 1.00 0.00 C ATOM 564 CD PRO A 174 23.258 2.561 -11.801 1.00 0.00 C ATOM 0 HA PRO A 174 22.689 1.914 -8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.227 4.154 -9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.795 4.204 -9.097 1.00 0.00 H new ATOM 0 HG2 PRO A 174 22.223 4.462 -11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.787 4.559 -11.146 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.799 2.399 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 174 24.336 2.467 -11.936 1.00 0.00 H new ATOM 572 N GLY A 175 20.040 1.352 -10.560 1.00 0.00 N ATOM 573 CA GLY A 175 18.662 0.883 -10.495 1.00 0.00 C ATOM 574 C GLY A 175 18.556 -0.404 -9.668 1.00 0.00 C ATOM 575 O GLY A 175 17.472 -0.745 -9.197 1.00 0.00 O ATOM 0 H GLY A 175 20.435 1.360 -11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.032 1.655 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.288 0.703 -11.503 1.00 0.00 H new ATOM 579 N ARG A 176 19.683 -1.115 -9.498 1.00 0.00 N ATOM 580 CA ARG A 176 19.725 -2.359 -8.740 1.00 0.00 C ATOM 581 C ARG A 176 20.737 -2.222 -7.597 1.00 0.00 C ATOM 582 O ARG A 176 21.374 -1.180 -7.455 1.00 0.00 O ATOM 583 CB ARG A 176 20.110 -3.507 -9.683 1.00 0.00 C ATOM 584 CG ARG A 176 19.092 -3.627 -10.833 1.00 0.00 C ATOM 585 CD ARG A 176 17.752 -4.150 -10.301 1.00 0.00 C ATOM 586 NE ARG A 176 16.886 -4.604 -11.401 1.00 0.00 N ATOM 587 CZ ARG A 176 15.601 -4.956 -11.227 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.050 -4.915 -10.005 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.870 -5.348 -12.276 1.00 0.00 N ATOM 0 H ARG A 176 20.585 -0.837 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 176 18.747 -2.575 -8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.107 -3.333 -10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.151 -4.444 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.950 -2.655 -11.305 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.475 -4.301 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.928 -4.974 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.249 -3.364 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 176 17.280 -4.654 -12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.607 -4.616 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.074 -5.183 -9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.288 -5.379 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 176 13.894 -5.616 -12.146 1.00 0.00 H new ATOM 603 N THR A 177 20.881 -3.278 -6.779 1.00 0.00 N ATOM 604 CA THR A 177 21.803 -3.266 -5.646 1.00 0.00 C ATOM 605 C THR A 177 22.697 -4.503 -5.682 1.00 0.00 C ATOM 606 O THR A 177 22.351 -5.510 -6.303 1.00 0.00 O ATOM 607 CB THR A 177 21.008 -3.224 -4.333 1.00 0.00 C ATOM 608 OG1 THR A 177 20.225 -4.395 -4.213 1.00 0.00 O ATOM 609 CG2 THR A 177 20.095 -1.995 -4.313 1.00 0.00 C ATOM 0 H THR A 177 20.365 -4.151 -6.888 1.00 0.00 H new ATOM 0 HA THR A 177 22.434 -2.380 -5.709 1.00 0.00 H new ATOM 0 HB THR A 177 21.706 -3.166 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.720 -4.366 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.535 -1.973 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.699 -1.092 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.400 -2.044 -5.151 1.00 0.00 H new ATOM 617 N ASP A 178 23.848 -4.422 -5.002 1.00 0.00 N ATOM 618 CA ASP A 178 24.793 -5.525 -4.925 1.00 0.00 C ATOM 619 C ASP A 178 24.112 -6.756 -4.333 1.00 0.00 C ATOM 620 O ASP A 178 24.313 -7.866 -4.814 1.00 0.00 O ATOM 621 CB ASP A 178 26.002 -5.098 -4.076 1.00 0.00 C ATOM 622 CG ASP A 178 25.626 -4.888 -2.607 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.550 -4.289 -2.366 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.421 -5.331 -1.752 1.00 0.00 O ATOM 0 H ASP A 178 24.143 -3.588 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 178 25.142 -5.784 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.780 -5.858 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.420 -4.175 -4.479 1.00 0.00 H new ATOM 629 N ASN A 179 23.305 -6.550 -3.290 1.00 0.00 N ATOM 630 CA ASN A 179 22.590 -7.629 -2.632 1.00 0.00 C ATOM 631 C ASN A 179 21.638 -8.302 -3.617 1.00 0.00 C ATOM 632 O ASN A 179 21.624 -9.525 -3.724 1.00 0.00 O ATOM 633 CB ASN A 179 21.818 -7.069 -1.432 1.00 0.00 C ATOM 634 CG ASN A 179 22.727 -6.915 -0.215 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.599 -7.663 0.751 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.643 -5.946 -0.257 1.00 0.00 N ATOM 0 H ASN A 179 23.134 -5.630 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 179 23.301 -8.376 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.387 -6.102 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.988 -7.732 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.272 -5.804 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.715 -5.347 -1.080 1.00 0.00 H new ATOM 643 N ALA A 180 20.838 -7.502 -4.335 1.00 0.00 N ATOM 644 CA ALA A 180 19.875 -8.030 -5.291 1.00 0.00 C ATOM 645 C ALA A 180 20.584 -8.855 -6.366 1.00 0.00 C ATOM 646 O ALA A 180 20.188 -9.988 -6.636 1.00 0.00 O ATOM 647 CB ALA A 180 19.099 -6.873 -5.923 1.00 0.00 C ATOM 0 H ALA A 180 20.845 -6.484 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 180 19.176 -8.686 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.378 -7.267 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.573 -6.320 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.793 -6.207 -6.436 1.00 0.00 H new ATOM 653 N ILE A 181 21.629 -8.283 -6.981 1.00 0.00 N ATOM 654 CA ILE A 181 22.374 -8.961 -8.037 1.00 0.00 C ATOM 655 C ILE A 181 22.984 -10.255 -7.500 1.00 0.00 C ATOM 656 O ILE A 181 22.783 -11.322 -8.076 1.00 0.00 O ATOM 657 CB ILE A 181 23.476 -8.030 -8.575 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.850 -6.789 -9.226 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.308 -8.777 -9.624 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.857 -5.638 -9.232 1.00 0.00 C ATOM 0 H ILE A 181 21.974 -7.349 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 181 21.695 -9.211 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 181 24.111 -7.720 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.542 -7.019 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.953 -6.496 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.088 -8.119 -10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.765 -9.655 -9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.663 -9.089 -10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.405 -4.761 -9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.143 -5.400 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.742 -5.932 -9.797 1.00 0.00 H new ATOM 672 N LYS A 182 23.737 -10.150 -6.399 1.00 0.00 N ATOM 673 CA LYS A 182 24.406 -11.291 -5.793 1.00 0.00 C ATOM 674 C LYS A 182 23.408 -12.413 -5.511 1.00 0.00 C ATOM 675 O LYS A 182 23.592 -13.535 -5.976 1.00 0.00 O ATOM 676 CB LYS A 182 25.087 -10.833 -4.497 1.00 0.00 C ATOM 677 CG LYS A 182 25.807 -12.010 -3.831 1.00 0.00 C ATOM 678 CD LYS A 182 26.492 -11.528 -2.551 1.00 0.00 C ATOM 679 CE LYS A 182 27.193 -12.704 -1.867 1.00 0.00 C ATOM 680 NZ LYS A 182 27.793 -12.290 -0.586 1.00 0.00 N ATOM 0 H LYS A 182 23.895 -9.270 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 182 25.156 -11.682 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.800 -10.037 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.345 -10.419 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.095 -12.802 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.544 -12.433 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.216 -10.748 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.757 -11.088 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.477 -13.508 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.967 -13.102 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.262 -13.106 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.492 -11.539 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.049 -11.933 0.046 1.00 0.00 H new ATOM 694 N ASN A 183 22.361 -12.109 -4.740 1.00 0.00 N ATOM 695 CA ASN A 183 21.360 -13.097 -4.363 1.00 0.00 C ATOM 696 C ASN A 183 20.769 -13.759 -5.605 1.00 0.00 C ATOM 697 O ASN A 183 20.792 -14.979 -5.721 1.00 0.00 O ATOM 698 CB ASN A 183 20.258 -12.421 -3.537 1.00 0.00 C ATOM 699 CG ASN A 183 20.789 -11.929 -2.191 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.935 -12.191 -1.831 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.949 -11.211 -1.445 1.00 0.00 N ATOM 0 H ASN A 183 22.188 -11.177 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 183 21.833 -13.872 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.846 -11.581 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.442 -13.125 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.249 -10.856 -0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.006 -11.017 -1.782 1.00 0.00 H new ATOM 708 N HIS A 184 20.238 -12.952 -6.528 1.00 0.00 N ATOM 709 CA HIS A 184 19.617 -13.465 -7.741 1.00 0.00 C ATOM 710 C HIS A 184 20.574 -14.393 -8.494 1.00 0.00 C ATOM 711 O HIS A 184 20.199 -15.507 -8.855 1.00 0.00 O ATOM 712 CB HIS A 184 19.203 -12.289 -8.628 1.00 0.00 C ATOM 713 CG HIS A 184 18.756 -12.724 -9.999 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.888 -13.790 -10.206 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.047 -12.258 -11.255 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.714 -13.896 -11.538 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.395 -12.989 -12.235 1.00 0.00 N ATOM 0 H HIS A 184 20.229 -11.935 -6.452 1.00 0.00 H new ATOM 0 HA HIS A 184 18.735 -14.046 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.395 -11.741 -8.144 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.042 -11.600 -8.725 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.703 -11.424 -11.456 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.083 -14.644 -11.996 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.429 -12.863 -13.247 1.00 0.00 H new ATOM 725 N TRP A 185 21.800 -13.928 -8.741 1.00 0.00 N ATOM 726 CA TRP A 185 22.777 -14.694 -9.494 1.00 0.00 C ATOM 727 C TRP A 185 23.082 -16.025 -8.806 1.00 0.00 C ATOM 728 O TRP A 185 22.940 -17.080 -9.412 1.00 0.00 O ATOM 729 CB TRP A 185 24.056 -13.866 -9.656 1.00 0.00 C ATOM 730 CG TRP A 185 25.145 -14.549 -10.427 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.958 -15.503 -9.951 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.558 -14.353 -11.811 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.846 -15.923 -10.910 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.645 -15.241 -12.091 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.130 -13.520 -12.864 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.267 -15.295 -13.340 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.753 -13.571 -14.127 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.821 -14.456 -14.363 1.00 0.00 C ATOM 0 H TRP A 185 22.135 -13.018 -8.425 1.00 0.00 H new ATOM 0 HA TRP A 185 22.365 -14.919 -10.478 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.807 -12.930 -10.155 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.435 -13.609 -8.667 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.919 -15.891 -8.944 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.557 -16.641 -10.768 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.313 -12.833 -12.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.085 -15.979 -13.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.408 -12.925 -14.921 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.295 -14.486 -15.333 1.00 0.00 H new ATOM 749 N ASN A 186 23.517 -15.978 -7.550 1.00 0.00 N ATOM 750 CA ASN A 186 23.910 -17.183 -6.834 1.00 0.00 C ATOM 751 C ASN A 186 22.735 -18.147 -6.666 1.00 0.00 C ATOM 752 O ASN A 186 22.928 -19.361 -6.721 1.00 0.00 O ATOM 753 CB ASN A 186 24.507 -16.801 -5.477 1.00 0.00 C ATOM 754 CG ASN A 186 25.919 -16.244 -5.648 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.883 -17.001 -5.712 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.042 -14.921 -5.727 1.00 0.00 N ATOM 0 H ASN A 186 23.605 -15.118 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 186 24.666 -17.704 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.874 -16.059 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.531 -17.675 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.964 -14.501 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.214 -14.328 -5.669 1.00 0.00 H new ATOM 763 N SER A 187 21.527 -17.621 -6.457 1.00 0.00 N ATOM 764 CA SER A 187 20.355 -18.459 -6.247 1.00 0.00 C ATOM 765 C SER A 187 19.732 -18.914 -7.573 1.00 0.00 C ATOM 766 O SER A 187 18.709 -19.598 -7.552 1.00 0.00 O ATOM 767 CB SER A 187 19.327 -17.685 -5.417 1.00 0.00 C ATOM 768 OG SER A 187 19.898 -17.314 -4.180 1.00 0.00 O ATOM 0 H SER A 187 21.339 -16.619 -6.429 1.00 0.00 H new ATOM 0 HA SER A 187 20.667 -19.357 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.001 -16.797 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.442 -18.300 -5.251 1.00 0.00 H new ATOM 0 HG SER A 187 20.363 -16.457 -4.278 1.00 0.00 H new ATOM 774 N THR A 188 20.321 -18.549 -8.729 1.00 0.00 N ATOM 775 CA THR A 188 19.752 -18.943 -10.016 1.00 0.00 C ATOM 776 C THR A 188 20.827 -19.042 -11.104 1.00 0.00 C ATOM 777 O THR A 188 21.094 -20.132 -11.612 1.00 0.00 O ATOM 778 CB THR A 188 18.662 -17.932 -10.426 1.00 0.00 C ATOM 779 OG1 THR A 188 17.749 -17.749 -9.363 1.00 0.00 O ATOM 780 CG2 THR A 188 17.905 -18.455 -11.649 1.00 0.00 C ATOM 0 H THR A 188 21.174 -17.993 -8.790 1.00 0.00 H new ATOM 0 HA THR A 188 19.310 -19.933 -9.907 1.00 0.00 H new ATOM 0 HB THR A 188 19.138 -16.981 -10.666 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.061 -17.105 -9.630 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.136 -17.738 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.601 -18.591 -12.477 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.438 -19.410 -11.407 1.00 0.00 H new ATOM 788 N MET A 189 21.424 -17.906 -11.481 1.00 0.00 N ATOM 789 CA MET A 189 22.377 -17.857 -12.585 1.00 0.00 C ATOM 790 C MET A 189 23.800 -18.176 -12.119 1.00 0.00 C ATOM 791 O MET A 189 24.739 -17.485 -12.505 1.00 0.00 O ATOM 792 CB MET A 189 22.331 -16.463 -13.224 1.00 0.00 C ATOM 793 CG MET A 189 20.962 -16.210 -13.862 1.00 0.00 C ATOM 794 SD MET A 189 20.624 -14.461 -14.194 1.00 0.00 S ATOM 795 CE MET A 189 22.204 -13.995 -14.942 1.00 0.00 C ATOM 0 H MET A 189 21.260 -17.005 -11.032 1.00 0.00 H new ATOM 0 HA MET A 189 22.097 -18.614 -13.317 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.533 -15.703 -12.469 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.112 -16.377 -13.979 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.898 -16.767 -14.797 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.186 -16.602 -13.204 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.046 -13.180 -15.648 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.894 -13.671 -14.163 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.625 -14.853 -15.466 1.00 0.00 H new ATOM 805 N ARG A 190 23.973 -19.226 -11.307 1.00 0.00 N ATOM 806 CA ARG A 190 25.301 -19.627 -10.863 1.00 0.00 C ATOM 807 C ARG A 190 25.877 -20.609 -11.893 1.00 0.00 C ATOM 808 O ARG A 190 25.986 -20.259 -13.066 1.00 0.00 O ATOM 809 CB ARG A 190 25.223 -20.226 -9.448 1.00 0.00 C ATOM 810 CG ARG A 190 26.632 -20.312 -8.825 1.00 0.00 C ATOM 811 CD ARG A 190 27.112 -18.918 -8.396 1.00 0.00 C ATOM 812 NE ARG A 190 28.347 -18.531 -9.095 1.00 0.00 N ATOM 813 CZ ARG A 190 28.957 -17.347 -8.902 1.00 0.00 C ATOM 814 NH1 ARG A 190 28.553 -16.526 -7.927 1.00 0.00 N ATOM 815 NH2 ARG A 190 29.970 -16.986 -9.691 1.00 0.00 N ATOM 0 H ARG A 190 23.213 -19.805 -10.950 1.00 0.00 H new ATOM 0 HA ARG A 190 25.970 -18.769 -10.799 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.577 -19.612 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.775 -21.219 -9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.616 -20.979 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 190 27.330 -20.738 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.332 -18.185 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 190 27.284 -18.907 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 190 28.760 -19.190 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.777 -16.795 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 190 29.021 -15.630 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 190 30.281 -17.607 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 190 30.434 -16.089 -9.547 1.00 0.00 H new