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 159 HIS : no HD1:sc= -0.0592 K(o=0.047,f=-2) USER MOD Set 1.2: A 164 ASN : amide:sc= 0.106 X(o=0.047,f=0.22) USER MOD Set 2.1: A 156 TYR OH : rot 180:sc= 0.709 USER MOD Set 2.2: A 160 LYS NZ :NH3+ -158:sc= 0.806 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -69:sc= 1.16 USER MOD Single : A 157 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.28) USER MOD Single : A 171 LYS NZ :NH3+ 144:sc= 2.35 (180deg=2.19) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 179 ASN : amide:sc= -0.0532 X(o=-0.053,f=-0.053) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN :FLIP amide:sc= 0.65 F(o=0,f=0.65) USER MOD Single : A 184 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.55) USER MOD Single : A 186 ASN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 174:sc= -1.41 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.036 -9.233 -12.441 1.00 0.00 N ATOM 89 CA TRP A 147 14.155 -9.144 -13.381 1.00 0.00 C ATOM 90 C TRP A 147 13.680 -9.221 -14.838 1.00 0.00 C ATOM 91 O TRP A 147 12.513 -9.501 -15.113 1.00 0.00 O ATOM 92 CB TRP A 147 15.183 -10.239 -13.066 1.00 0.00 C ATOM 93 CG TRP A 147 16.055 -9.934 -11.890 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.980 -10.509 -10.678 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.144 -8.975 -11.795 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.937 -9.996 -9.832 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.695 -9.037 -10.477 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.727 -8.052 -12.687 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.770 -8.240 -10.078 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.808 -7.243 -12.287 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.333 -7.343 -10.993 1.00 0.00 C ATOM 0 HA TRP A 147 14.632 -8.171 -13.260 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.656 -11.175 -12.882 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.813 -10.395 -13.942 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.265 -11.271 -10.404 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.069 -10.284 -8.862 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.339 -7.964 -13.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.163 -8.315 -9.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.236 -6.539 -12.985 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.172 -6.728 -10.701 1.00 0.00 H new ATOM 112 N THR A 148 14.608 -8.958 -15.769 1.00 0.00 N ATOM 113 CA THR A 148 14.327 -8.989 -17.198 1.00 0.00 C ATOM 114 C THR A 148 15.560 -9.508 -17.936 1.00 0.00 C ATOM 115 O THR A 148 16.673 -9.430 -17.415 1.00 0.00 O ATOM 116 CB THR A 148 13.963 -7.580 -17.692 1.00 0.00 C ATOM 117 OG1 THR A 148 15.020 -6.688 -17.409 1.00 0.00 O ATOM 118 CG2 THR A 148 12.686 -7.087 -17.008 1.00 0.00 C ATOM 0 H THR A 148 15.574 -8.718 -15.545 1.00 0.00 H new ATOM 0 HA THR A 148 13.483 -9.651 -17.393 1.00 0.00 H new ATOM 0 HB THR A 148 13.795 -7.621 -18.768 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.079 -6.548 -16.441 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.442 -6.088 -17.369 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.865 -7.766 -17.238 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.840 -7.055 -15.929 1.00 0.00 H new ATOM 126 N GLU A 149 15.360 -10.035 -19.154 1.00 0.00 N ATOM 127 CA GLU A 149 16.452 -10.565 -19.957 1.00 0.00 C ATOM 128 C GLU A 149 17.586 -9.549 -20.052 1.00 0.00 C ATOM 129 O GLU A 149 18.713 -9.856 -19.688 1.00 0.00 O ATOM 130 CB GLU A 149 15.947 -10.909 -21.364 1.00 0.00 C ATOM 131 CG GLU A 149 15.287 -12.289 -21.369 1.00 0.00 C ATOM 132 CD GLU A 149 15.136 -12.803 -22.797 1.00 0.00 C ATOM 133 OE1 GLU A 149 16.187 -12.922 -23.470 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.980 -13.065 -23.189 1.00 0.00 O ATOM 0 H GLU A 149 14.444 -10.102 -19.598 1.00 0.00 H new ATOM 0 HA GLU A 149 16.829 -11.468 -19.477 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.232 -10.156 -21.696 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.778 -10.893 -22.070 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.887 -12.988 -20.786 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.309 -12.233 -20.891 1.00 0.00 H new ATOM 141 N GLU A 150 17.279 -8.343 -20.554 1.00 0.00 N ATOM 142 CA GLU A 150 18.276 -7.293 -20.743 1.00 0.00 C ATOM 143 C GLU A 150 19.158 -7.164 -19.499 1.00 0.00 C ATOM 144 O GLU A 150 20.381 -7.242 -19.596 1.00 0.00 O ATOM 145 CB GLU A 150 17.564 -5.966 -21.055 1.00 0.00 C ATOM 146 CG GLU A 150 18.354 -5.182 -22.111 1.00 0.00 C ATOM 147 CD GLU A 150 19.754 -4.839 -21.615 1.00 0.00 C ATOM 148 OE1 GLU A 150 19.837 -4.031 -20.666 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.713 -5.392 -22.196 1.00 0.00 O ATOM 0 H GLU A 150 16.336 -8.075 -20.837 1.00 0.00 H new ATOM 0 HA GLU A 150 18.922 -7.552 -21.582 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.554 -6.162 -21.416 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.468 -5.373 -20.146 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.424 -5.770 -23.026 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.820 -4.265 -22.361 1.00 0.00 H new ATOM 156 N GLU A 151 18.534 -6.975 -18.332 1.00 0.00 N ATOM 157 CA GLU A 151 19.262 -6.839 -17.080 1.00 0.00 C ATOM 158 C GLU A 151 20.204 -8.028 -16.881 1.00 0.00 C ATOM 159 O GLU A 151 21.378 -7.845 -16.554 1.00 0.00 O ATOM 160 CB GLU A 151 18.271 -6.759 -15.921 1.00 0.00 C ATOM 161 CG GLU A 151 17.578 -5.395 -15.898 1.00 0.00 C ATOM 162 CD GLU A 151 16.596 -5.314 -14.733 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.578 -6.042 -14.788 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.878 -4.530 -13.802 1.00 0.00 O ATOM 0 H GLU A 151 17.520 -6.913 -18.235 1.00 0.00 H new ATOM 0 HA GLU A 151 19.857 -5.926 -17.112 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.527 -7.550 -16.017 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.792 -6.924 -14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.322 -4.604 -15.809 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.050 -5.233 -16.838 1.00 0.00 H new ATOM 171 N ASP A 152 19.689 -9.247 -17.073 1.00 0.00 N ATOM 172 CA ASP A 152 20.482 -10.456 -16.897 1.00 0.00 C ATOM 173 C ASP A 152 21.676 -10.451 -17.854 1.00 0.00 C ATOM 174 O ASP A 152 22.765 -10.878 -17.479 1.00 0.00 O ATOM 175 CB ASP A 152 19.603 -11.693 -17.126 1.00 0.00 C ATOM 176 CG ASP A 152 18.400 -11.707 -16.184 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.535 -11.149 -15.073 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.367 -12.279 -16.595 1.00 0.00 O ATOM 0 H ASP A 152 18.722 -9.417 -17.351 1.00 0.00 H new ATOM 0 HA ASP A 152 20.866 -10.487 -15.877 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.257 -11.709 -18.160 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.196 -12.595 -16.974 1.00 0.00 H new ATOM 183 N ARG A 153 21.478 -9.967 -19.091 1.00 0.00 N ATOM 184 CA ARG A 153 22.553 -9.917 -20.077 1.00 0.00 C ATOM 185 C ARG A 153 23.644 -8.954 -19.600 1.00 0.00 C ATOM 186 O ARG A 153 24.830 -9.246 -19.745 1.00 0.00 O ATOM 187 CB ARG A 153 22.006 -9.487 -21.450 1.00 0.00 C ATOM 188 CG ARG A 153 20.789 -10.345 -21.828 1.00 0.00 C ATOM 189 CD ARG A 153 20.861 -10.759 -23.297 1.00 0.00 C ATOM 190 NE ARG A 153 19.642 -11.488 -23.683 1.00 0.00 N ATOM 191 CZ ARG A 153 19.412 -11.934 -24.930 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.333 -11.762 -25.888 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.259 -12.553 -25.215 1.00 0.00 N ATOM 0 H ARG A 153 20.584 -9.607 -19.425 1.00 0.00 H new ATOM 0 HA ARG A 153 22.985 -10.912 -20.185 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.724 -8.434 -21.424 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.783 -9.590 -22.208 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.752 -11.232 -21.196 1.00 0.00 H new ATOM 0 HG3 ARG A 153 19.872 -9.785 -21.646 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.979 -9.876 -23.925 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.736 -11.387 -23.462 1.00 0.00 H new ATOM 0 HE ARG A 153 18.936 -11.664 -22.968 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.212 -11.291 -25.672 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.155 -12.102 -26.833 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.557 -12.685 -24.486 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.082 -12.892 -26.161 1.00 0.00 H new ATOM 207 N ILE A 154 23.242 -7.808 -19.025 1.00 0.00 N ATOM 208 CA ILE A 154 24.193 -6.825 -18.515 1.00 0.00 C ATOM 209 C ILE A 154 25.045 -7.465 -17.420 1.00 0.00 C ATOM 210 O ILE A 154 26.276 -7.417 -17.476 1.00 0.00 O ATOM 211 CB ILE A 154 23.439 -5.596 -17.963 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.684 -4.871 -19.098 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.431 -4.634 -17.295 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.644 -4.040 -19.960 1.00 0.00 C ATOM 0 H ILE A 154 22.264 -7.546 -18.905 1.00 0.00 H new ATOM 0 HA ILE A 154 24.843 -6.494 -19.325 1.00 0.00 H new ATOM 0 HB ILE A 154 22.713 -5.934 -17.224 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.171 -5.602 -19.722 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.918 -4.222 -18.673 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.894 -3.769 -16.907 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.937 -5.144 -16.475 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.168 -4.305 -18.027 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.084 -3.541 -20.751 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.137 -3.293 -19.338 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.394 -4.695 -20.404 1.00 0.00 H new ATOM 226 N ILE A 155 24.384 -8.064 -16.421 1.00 0.00 N ATOM 227 CA ILE A 155 25.076 -8.696 -15.308 1.00 0.00 C ATOM 228 C ILE A 155 25.979 -9.814 -15.825 1.00 0.00 C ATOM 229 O ILE A 155 27.101 -9.953 -15.363 1.00 0.00 O ATOM 230 CB ILE A 155 24.050 -9.238 -14.297 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.236 -8.073 -13.713 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.780 -9.967 -13.157 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.913 -8.591 -13.151 1.00 0.00 C ATOM 0 H ILE A 155 23.367 -8.120 -16.368 1.00 0.00 H new ATOM 0 HA ILE A 155 25.700 -7.960 -14.802 1.00 0.00 H new ATOM 0 HB ILE A 155 23.382 -9.933 -14.805 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.806 -7.578 -12.927 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.046 -7.328 -14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.050 -10.349 -12.443 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.356 -10.797 -13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.452 -9.273 -12.652 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.342 -7.759 -12.739 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.340 -9.065 -13.948 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.112 -9.319 -12.365 1.00 0.00 H new ATOM 245 N TYR A 156 25.488 -10.611 -16.782 1.00 0.00 N ATOM 246 CA TYR A 156 26.256 -11.717 -17.337 1.00 0.00 C ATOM 247 C TYR A 156 27.544 -11.208 -17.980 1.00 0.00 C ATOM 248 O TYR A 156 28.625 -11.683 -17.649 1.00 0.00 O ATOM 249 CB TYR A 156 25.402 -12.471 -18.360 1.00 0.00 C ATOM 250 CG TYR A 156 26.132 -13.633 -19.003 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.291 -14.840 -18.299 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.654 -13.506 -20.304 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.974 -15.917 -18.893 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.334 -14.584 -20.897 1.00 0.00 C ATOM 255 CZ TYR A 156 27.494 -15.789 -20.191 1.00 0.00 C ATOM 256 OH TYR A 156 28.159 -16.835 -20.766 1.00 0.00 O ATOM 0 H TYR A 156 24.557 -10.504 -17.185 1.00 0.00 H new ATOM 0 HA TYR A 156 26.530 -12.399 -16.532 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.502 -12.842 -17.870 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.080 -11.778 -19.137 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.889 -14.940 -17.302 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.532 -12.580 -20.847 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.098 -16.843 -18.350 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.734 -14.486 -21.896 1.00 0.00 H new ATOM 0 HH TYR A 156 28.453 -16.581 -21.666 1.00 0.00 H new ATOM 266 N GLN A 157 27.428 -10.248 -18.902 1.00 0.00 N ATOM 267 CA GLN A 157 28.585 -9.711 -19.606 1.00 0.00 C ATOM 268 C GLN A 157 29.608 -9.159 -18.612 1.00 0.00 C ATOM 269 O GLN A 157 30.797 -9.467 -18.709 1.00 0.00 O ATOM 270 CB GLN A 157 28.119 -8.617 -20.578 1.00 0.00 C ATOM 271 CG GLN A 157 29.277 -8.190 -21.496 1.00 0.00 C ATOM 272 CD GLN A 157 29.927 -6.895 -21.010 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.518 -5.808 -21.406 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.944 -7.011 -20.155 1.00 0.00 N ATOM 0 H GLN A 157 26.539 -9.829 -19.176 1.00 0.00 H new ATOM 0 HA GLN A 157 29.069 -10.507 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.287 -8.985 -21.178 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.753 -7.756 -20.019 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.025 -8.982 -21.533 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.906 -8.054 -22.512 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.252 -7.935 -19.851 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.414 -6.176 -19.805 1.00 0.00 H new ATOM 283 N ALA A 158 29.148 -8.337 -17.666 1.00 0.00 N ATOM 284 CA ALA A 158 30.028 -7.717 -16.687 1.00 0.00 C ATOM 285 C ALA A 158 30.640 -8.771 -15.757 1.00 0.00 C ATOM 286 O ALA A 158 31.819 -8.687 -15.424 1.00 0.00 O ATOM 287 CB ALA A 158 29.233 -6.687 -15.889 1.00 0.00 C ATOM 0 H ALA A 158 28.164 -8.088 -17.562 1.00 0.00 H new ATOM 0 HA ALA A 158 30.850 -7.221 -17.203 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.884 -6.216 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.841 -5.927 -16.565 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.406 -7.181 -15.379 1.00 0.00 H new ATOM 293 N HIS A 159 29.840 -9.755 -15.337 1.00 0.00 N ATOM 294 CA HIS A 159 30.299 -10.800 -14.431 1.00 0.00 C ATOM 295 C HIS A 159 31.362 -11.664 -15.107 1.00 0.00 C ATOM 296 O HIS A 159 32.359 -12.013 -14.489 1.00 0.00 O ATOM 297 CB HIS A 159 29.106 -11.656 -13.994 1.00 0.00 C ATOM 298 CG HIS A 159 29.497 -12.765 -13.053 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.031 -13.972 -13.491 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.442 -12.880 -11.688 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.259 -14.717 -12.391 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.921 -14.107 -11.256 1.00 0.00 N ATOM 0 H HIS A 159 28.863 -9.846 -15.616 1.00 0.00 H new ATOM 0 HA HIS A 159 30.748 -10.340 -13.551 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.366 -11.019 -13.510 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.630 -12.085 -14.876 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.071 -12.109 -11.030 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.676 -15.713 -12.426 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.996 -14.458 -10.301 1.00 0.00 H new ATOM 310 N LYS A 160 31.146 -12.012 -16.375 1.00 0.00 N ATOM 311 CA LYS A 160 32.084 -12.842 -17.116 1.00 0.00 C ATOM 312 C LYS A 160 33.432 -12.128 -17.256 1.00 0.00 C ATOM 313 O LYS A 160 34.469 -12.781 -17.346 1.00 0.00 O ATOM 314 CB LYS A 160 31.498 -13.155 -18.497 1.00 0.00 C ATOM 315 CG LYS A 160 30.280 -14.083 -18.358 1.00 0.00 C ATOM 316 CD LYS A 160 30.715 -15.553 -18.415 1.00 0.00 C ATOM 317 CE LYS A 160 31.181 -15.913 -19.833 1.00 0.00 C ATOM 318 NZ LYS A 160 30.921 -17.333 -20.130 1.00 0.00 N ATOM 0 H LYS A 160 30.325 -11.728 -16.909 1.00 0.00 H new ATOM 0 HA LYS A 160 32.249 -13.774 -16.575 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.205 -12.230 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.255 -13.627 -19.123 1.00 0.00 H new ATOM 0 HG2 LYS A 160 29.770 -13.885 -17.415 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.566 -13.878 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.522 -15.729 -17.703 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.886 -16.197 -18.122 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.665 -15.285 -20.560 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.246 -15.706 -19.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.548 -17.648 -20.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.101 -17.904 -19.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.930 -17.451 -20.423 1.00 0.00 H new ATOM 332 N ARG A 161 33.411 -10.789 -17.281 1.00 0.00 N ATOM 333 CA ARG A 161 34.619 -9.995 -17.444 1.00 0.00 C ATOM 334 C ARG A 161 35.319 -9.775 -16.097 1.00 0.00 C ATOM 335 O ARG A 161 36.519 -10.014 -15.980 1.00 0.00 O ATOM 336 CB ARG A 161 34.241 -8.655 -18.086 1.00 0.00 C ATOM 337 CG ARG A 161 35.507 -7.881 -18.468 1.00 0.00 C ATOM 338 CD ARG A 161 35.124 -6.530 -19.080 1.00 0.00 C ATOM 339 NE ARG A 161 34.401 -6.709 -20.347 1.00 0.00 N ATOM 340 CZ ARG A 161 33.868 -5.686 -21.039 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.993 -4.430 -20.590 1.00 0.00 N ATOM 342 NH2 ARG A 161 33.209 -5.924 -22.181 1.00 0.00 N ATOM 0 H ARG A 161 32.559 -10.236 -17.189 1.00 0.00 H new ATOM 0 HA ARG A 161 35.319 -10.527 -18.088 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.629 -8.826 -18.971 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.641 -8.067 -17.392 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.130 -7.728 -17.587 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.097 -8.459 -19.180 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.503 -5.973 -18.379 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.022 -5.937 -19.251 1.00 0.00 H new ATOM 0 HE ARG A 161 34.299 -7.653 -20.719 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.494 -4.247 -19.721 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.587 -3.657 -21.118 1.00 0.00 H new ATOM 0 HH21 ARG A 161 33.112 -6.880 -22.524 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.804 -5.150 -22.707 1.00 0.00 H new ATOM 356 N LEU A 162 34.572 -9.300 -15.091 1.00 0.00 N ATOM 357 CA LEU A 162 35.140 -8.977 -13.783 1.00 0.00 C ATOM 358 C LEU A 162 35.026 -10.163 -12.825 1.00 0.00 C ATOM 359 O LEU A 162 36.031 -10.612 -12.274 1.00 0.00 O ATOM 360 CB LEU A 162 34.411 -7.754 -13.200 1.00 0.00 C ATOM 361 CG LEU A 162 34.473 -6.564 -14.173 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.680 -5.394 -13.586 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.927 -6.132 -14.391 1.00 0.00 C ATOM 0 H LEU A 162 33.569 -9.132 -15.163 1.00 0.00 H new ATOM 0 HA LEU A 162 36.199 -8.749 -13.908 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.371 -8.008 -12.996 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.864 -7.475 -12.248 1.00 0.00 H new ATOM 0 HG LEU A 162 34.045 -6.863 -15.130 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.720 -4.547 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.642 -5.694 -13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.112 -5.106 -12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.957 -5.289 -15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.365 -5.836 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.495 -6.963 -14.809 1.00 0.00 H new ATOM 375 N GLY A 163 33.798 -10.652 -12.614 1.00 0.00 N ATOM 376 CA GLY A 163 33.530 -11.747 -11.689 1.00 0.00 C ATOM 377 C GLY A 163 32.369 -11.353 -10.781 1.00 0.00 C ATOM 378 O GLY A 163 31.458 -10.653 -11.215 1.00 0.00 O ATOM 0 H GLY A 163 32.965 -10.296 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.286 -12.655 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.417 -11.964 -11.094 1.00 0.00 H new ATOM 382 N ASN A 164 32.406 -11.785 -9.514 1.00 0.00 N ATOM 383 CA ASN A 164 31.361 -11.443 -8.549 1.00 0.00 C ATOM 384 C ASN A 164 31.611 -10.036 -7.994 1.00 0.00 C ATOM 385 O ASN A 164 31.453 -9.801 -6.797 1.00 0.00 O ATOM 386 CB ASN A 164 31.346 -12.473 -7.411 1.00 0.00 C ATOM 387 CG ASN A 164 31.198 -13.896 -7.947 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.086 -14.392 -8.099 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.324 -14.554 -8.230 1.00 0.00 N ATOM 0 H ASN A 164 33.150 -12.372 -9.136 1.00 0.00 H new ATOM 0 HA ASN A 164 30.391 -11.458 -9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.268 -12.394 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.524 -12.252 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.281 -15.508 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.228 -14.103 -8.088 1.00 0.00 H new ATOM 396 N ARG A 165 32.008 -9.101 -8.869 1.00 0.00 N ATOM 397 CA ARG A 165 32.299 -7.735 -8.471 1.00 0.00 C ATOM 398 C ARG A 165 31.016 -6.916 -8.547 1.00 0.00 C ATOM 399 O ARG A 165 30.912 -5.987 -9.350 1.00 0.00 O ATOM 400 CB ARG A 165 33.379 -7.142 -9.395 1.00 0.00 C ATOM 401 CG ARG A 165 34.769 -7.688 -9.029 1.00 0.00 C ATOM 402 CD ARG A 165 34.859 -9.185 -9.350 1.00 0.00 C ATOM 403 NE ARG A 165 36.236 -9.584 -9.672 1.00 0.00 N ATOM 404 CZ ARG A 165 37.228 -9.632 -8.765 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.984 -9.347 -7.478 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.465 -9.968 -9.152 1.00 0.00 N ATOM 0 H ARG A 165 32.133 -9.279 -9.866 1.00 0.00 H new ATOM 0 HA ARG A 165 32.676 -7.715 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.150 -7.384 -10.433 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.377 -6.055 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.536 -7.145 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.963 -7.525 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.501 -9.763 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.205 -9.418 -10.191 1.00 0.00 H new ATOM 0 HE ARG A 165 36.451 -9.838 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.042 -9.092 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.741 -9.385 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.652 -10.186 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.221 -10.006 -8.468 1.00 0.00 H new ATOM 420 N TRP A 166 30.034 -7.259 -7.707 1.00 0.00 N ATOM 421 CA TRP A 166 28.764 -6.550 -7.691 1.00 0.00 C ATOM 422 C TRP A 166 28.992 -5.097 -7.301 1.00 0.00 C ATOM 423 O TRP A 166 28.230 -4.236 -7.687 1.00 0.00 O ATOM 424 CB TRP A 166 27.788 -7.212 -6.727 1.00 0.00 C ATOM 425 CG TRP A 166 27.936 -8.686 -6.597 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.401 -9.305 -5.516 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.638 -9.744 -7.557 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.423 -10.666 -5.693 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.954 -11.000 -6.950 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.133 -9.781 -8.877 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.777 -12.217 -7.610 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.955 -11.011 -9.549 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.278 -12.224 -8.915 1.00 0.00 C ATOM 0 H TRP A 166 30.100 -8.022 -7.033 1.00 0.00 H new ATOM 0 HA TRP A 166 28.329 -6.587 -8.690 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.911 -6.761 -5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.772 -6.991 -7.054 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.720 -8.802 -4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.741 -11.338 -4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.880 -8.858 -9.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.024 -13.145 -7.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.568 -11.020 -10.557 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.140 -13.160 -9.436 1.00 0.00 H new ATOM 444 N ALA A 167 30.054 -4.822 -6.538 1.00 0.00 N ATOM 445 CA ALA A 167 30.376 -3.459 -6.149 1.00 0.00 C ATOM 446 C ALA A 167 30.577 -2.598 -7.400 1.00 0.00 C ATOM 447 O ALA A 167 30.414 -1.381 -7.342 1.00 0.00 O ATOM 448 CB ALA A 167 31.637 -3.463 -5.285 1.00 0.00 C ATOM 0 H ALA A 167 30.699 -5.527 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 167 29.555 -3.036 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.881 -2.442 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.465 -4.065 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.466 -3.885 -5.853 1.00 0.00 H new ATOM 454 N GLU A 168 30.926 -3.237 -8.531 1.00 0.00 N ATOM 455 CA GLU A 168 31.128 -2.543 -9.792 1.00 0.00 C ATOM 456 C GLU A 168 29.877 -2.679 -10.665 1.00 0.00 C ATOM 457 O GLU A 168 29.372 -1.686 -11.178 1.00 0.00 O ATOM 458 CB GLU A 168 32.361 -3.126 -10.496 1.00 0.00 C ATOM 459 CG GLU A 168 33.022 -2.053 -11.367 1.00 0.00 C ATOM 460 CD GLU A 168 33.652 -0.965 -10.504 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.668 -1.276 -9.849 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.101 0.158 -10.508 1.00 0.00 O ATOM 0 H GLU A 168 31.073 -4.245 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 168 31.299 -1.482 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.072 -3.495 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.070 -3.978 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.785 -2.510 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.280 -1.611 -12.033 1.00 0.00 H new ATOM 469 N ILE A 169 29.376 -3.913 -10.830 1.00 0.00 N ATOM 470 CA ILE A 169 28.186 -4.169 -11.647 1.00 0.00 C ATOM 471 C ILE A 169 27.011 -3.322 -11.141 1.00 0.00 C ATOM 472 O ILE A 169 26.270 -2.744 -11.933 1.00 0.00 O ATOM 473 CB ILE A 169 27.829 -5.667 -11.587 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.994 -6.519 -12.123 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.578 -5.930 -12.436 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.956 -7.914 -11.491 1.00 0.00 C ATOM 0 H ILE A 169 29.779 -4.749 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 169 28.393 -3.895 -12.681 1.00 0.00 H new ATOM 0 HB ILE A 169 27.638 -5.940 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.927 -6.600 -13.208 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.944 -6.034 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.326 -6.990 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.745 -5.343 -12.049 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.773 -5.645 -13.470 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.783 -8.510 -11.876 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.045 -7.825 -10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.012 -8.400 -11.739 1.00 0.00 H new ATOM 488 N ALA A 170 26.850 -3.262 -9.817 1.00 0.00 N ATOM 489 CA ALA A 170 25.772 -2.521 -9.179 1.00 0.00 C ATOM 490 C ALA A 170 25.788 -1.047 -9.609 1.00 0.00 C ATOM 491 O ALA A 170 24.736 -0.422 -9.673 1.00 0.00 O ATOM 492 CB ALA A 170 25.899 -2.656 -7.655 1.00 0.00 C ATOM 0 H ALA A 170 27.471 -3.731 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 170 24.815 -2.937 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.094 -2.102 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.834 -3.708 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.859 -2.254 -7.333 1.00 0.00 H new ATOM 498 N LYS A 171 26.972 -0.486 -9.913 1.00 0.00 N ATOM 499 CA LYS A 171 27.057 0.904 -10.364 1.00 0.00 C ATOM 500 C LYS A 171 26.305 1.065 -11.687 1.00 0.00 C ATOM 501 O LYS A 171 25.681 2.098 -11.923 1.00 0.00 O ATOM 502 CB LYS A 171 28.519 1.332 -10.542 1.00 0.00 C ATOM 503 CG LYS A 171 29.271 1.246 -9.213 1.00 0.00 C ATOM 504 CD LYS A 171 30.524 2.127 -9.289 1.00 0.00 C ATOM 505 CE LYS A 171 31.370 1.964 -8.022 1.00 0.00 C ATOM 506 NZ LYS A 171 32.102 0.686 -8.031 1.00 0.00 N ATOM 0 H LYS A 171 27.868 -0.970 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 171 26.602 1.541 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.003 0.694 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.561 2.352 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.629 1.574 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.549 0.213 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.114 1.857 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.235 3.171 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.077 2.790 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.727 2.011 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.035 0.817 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.564 -0.026 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.224 0.363 -9.012 1.00 0.00 H new ATOM 520 N LEU A 172 26.370 0.041 -12.551 1.00 0.00 N ATOM 521 CA LEU A 172 25.703 0.073 -13.847 1.00 0.00 C ATOM 522 C LEU A 172 24.189 -0.022 -13.655 1.00 0.00 C ATOM 523 O LEU A 172 23.428 0.518 -14.457 1.00 0.00 O ATOM 524 CB LEU A 172 26.203 -1.088 -14.723 1.00 0.00 C ATOM 525 CG LEU A 172 27.741 -1.104 -14.791 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.192 -2.277 -15.664 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.258 0.206 -15.393 1.00 0.00 C ATOM 0 H LEU A 172 26.883 -0.821 -12.367 1.00 0.00 H new ATOM 0 HA LEU A 172 25.936 1.014 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 172 25.843 -2.034 -14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.792 -0.993 -15.728 1.00 0.00 H new ATOM 0 HG LEU A 172 28.143 -1.213 -13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.281 -2.294 -15.716 1.00 0.00 H new ATOM 0 HD12 LEU A 172 27.835 -3.211 -15.231 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.782 -2.162 -16.668 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.347 0.182 -15.436 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.858 0.327 -16.400 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.937 1.043 -14.773 1.00 0.00 H new ATOM 539 N LEU A 173 23.760 -0.712 -12.586 1.00 0.00 N ATOM 540 CA LEU A 173 22.346 -0.883 -12.271 1.00 0.00 C ATOM 541 C LEU A 173 22.081 -0.371 -10.850 1.00 0.00 C ATOM 542 O LEU A 173 21.955 -1.171 -9.930 1.00 0.00 O ATOM 543 CB LEU A 173 21.986 -2.373 -12.380 1.00 0.00 C ATOM 544 CG LEU A 173 22.145 -2.872 -13.827 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.059 -4.400 -13.846 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.034 -2.293 -14.712 1.00 0.00 C ATOM 0 H LEU A 173 24.388 -1.164 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 173 21.731 -0.316 -12.970 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.627 -2.955 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 173 20.959 -2.528 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 173 23.112 -2.547 -14.211 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.171 -4.758 -14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.853 -4.817 -13.227 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.091 -4.715 -13.455 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.157 -2.653 -15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.063 -2.609 -14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.091 -1.205 -14.702 1.00 0.00 H new ATOM 558 N PRO A 174 22.000 0.966 -10.661 1.00 0.00 N ATOM 559 CA PRO A 174 21.796 1.564 -9.352 1.00 0.00 C ATOM 560 C PRO A 174 20.547 1.008 -8.664 1.00 0.00 C ATOM 561 O PRO A 174 20.556 0.782 -7.456 1.00 0.00 O ATOM 562 CB PRO A 174 21.676 3.073 -9.594 1.00 0.00 C ATOM 563 CG PRO A 174 21.935 3.309 -11.087 1.00 0.00 C ATOM 564 CD PRO A 174 22.116 1.935 -11.732 1.00 0.00 C ATOM 0 HA PRO A 174 22.625 1.334 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.686 3.431 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.397 3.620 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.101 3.842 -11.543 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.824 3.923 -11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.359 1.762 -12.497 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.087 1.860 -12.221 1.00 0.00 H new ATOM 572 N GLY A 175 19.474 0.791 -9.434 1.00 0.00 N ATOM 573 CA GLY A 175 18.225 0.268 -8.895 1.00 0.00 C ATOM 574 C GLY A 175 18.427 -1.126 -8.292 1.00 0.00 C ATOM 575 O GLY A 175 17.665 -1.537 -7.419 1.00 0.00 O ATOM 0 H GLY A 175 19.452 0.973 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.842 0.946 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.475 0.221 -9.685 1.00 0.00 H new ATOM 579 N ARG A 176 19.453 -1.850 -8.763 1.00 0.00 N ATOM 580 CA ARG A 176 19.751 -3.191 -8.286 1.00 0.00 C ATOM 581 C ARG A 176 20.954 -3.135 -7.342 1.00 0.00 C ATOM 582 O ARG A 176 22.086 -2.961 -7.787 1.00 0.00 O ATOM 583 CB ARG A 176 20.054 -4.102 -9.483 1.00 0.00 C ATOM 584 CG ARG A 176 18.943 -4.009 -10.543 1.00 0.00 C ATOM 585 CD ARG A 176 17.640 -4.611 -10.008 1.00 0.00 C ATOM 586 NE ARG A 176 16.732 -4.934 -11.118 1.00 0.00 N ATOM 587 CZ ARG A 176 15.566 -5.579 -10.955 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.145 -5.917 -9.729 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.821 -5.886 -12.024 1.00 0.00 N ATOM 0 H ARG A 176 20.093 -1.515 -9.483 1.00 0.00 H new ATOM 0 HA ARG A 176 18.894 -3.593 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.009 -3.820 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.152 -5.133 -9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.782 -2.967 -10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.250 -4.535 -11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.857 -5.511 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.159 -3.907 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 176 17.002 -4.654 -12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.711 -5.684 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.258 -6.407 -9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.140 -5.630 -12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 176 13.935 -6.376 -11.904 1.00 0.00 H new ATOM 603 N THR A 177 20.711 -3.281 -6.037 1.00 0.00 N ATOM 604 CA THR A 177 21.779 -3.235 -5.048 1.00 0.00 C ATOM 605 C THR A 177 22.719 -4.427 -5.235 1.00 0.00 C ATOM 606 O THR A 177 22.341 -5.439 -5.830 1.00 0.00 O ATOM 607 CB THR A 177 21.177 -3.244 -3.638 1.00 0.00 C ATOM 608 OG1 THR A 177 20.403 -4.412 -3.459 1.00 0.00 O ATOM 609 CG2 THR A 177 20.293 -2.010 -3.440 1.00 0.00 C ATOM 0 H THR A 177 19.781 -3.432 -5.645 1.00 0.00 H new ATOM 0 HA THR A 177 22.353 -2.318 -5.181 1.00 0.00 H new ATOM 0 HB THR A 177 21.985 -3.228 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.021 -4.416 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.869 -2.024 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.892 -1.109 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.487 -2.018 -4.174 1.00 0.00 H new ATOM 617 N ASP A 178 23.947 -4.306 -4.716 1.00 0.00 N ATOM 618 CA ASP A 178 24.934 -5.371 -4.797 1.00 0.00 C ATOM 619 C ASP A 178 24.361 -6.650 -4.186 1.00 0.00 C ATOM 620 O ASP A 178 24.553 -7.738 -4.727 1.00 0.00 O ATOM 621 CB ASP A 178 26.209 -4.935 -4.062 1.00 0.00 C ATOM 622 CG ASP A 178 25.925 -4.608 -2.599 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.215 -3.604 -2.369 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.420 -5.370 -1.741 1.00 0.00 O ATOM 0 H ASP A 178 24.276 -3.470 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 178 25.183 -5.572 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.954 -5.729 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.634 -4.061 -4.556 1.00 0.00 H new ATOM 629 N ASN A 179 23.650 -6.508 -3.060 1.00 0.00 N ATOM 630 CA ASN A 179 23.041 -7.638 -2.378 1.00 0.00 C ATOM 631 C ASN A 179 21.994 -8.288 -3.279 1.00 0.00 C ATOM 632 O ASN A 179 21.995 -9.504 -3.450 1.00 0.00 O ATOM 633 CB ASN A 179 22.399 -7.162 -1.070 1.00 0.00 C ATOM 634 CG ASN A 179 23.410 -6.436 -0.188 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.249 -5.253 0.094 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.450 -7.147 0.247 1.00 0.00 N ATOM 0 H ASN A 179 23.486 -5.610 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 179 23.807 -8.378 -2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.564 -6.497 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.991 -8.017 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.154 -6.709 0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.542 -8.129 -0.014 1.00 0.00 H new ATOM 643 N ALA A 180 21.098 -7.473 -3.853 1.00 0.00 N ATOM 644 CA ALA A 180 20.037 -7.975 -4.716 1.00 0.00 C ATOM 645 C ALA A 180 20.626 -8.786 -5.870 1.00 0.00 C ATOM 646 O ALA A 180 20.183 -9.905 -6.127 1.00 0.00 O ATOM 647 CB ALA A 180 19.214 -6.800 -5.249 1.00 0.00 C ATOM 0 H ALA A 180 21.093 -6.460 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 180 19.387 -8.632 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.420 -7.175 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.775 -6.255 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.860 -6.132 -5.819 1.00 0.00 H new ATOM 653 N ILE A 181 21.621 -8.222 -6.567 1.00 0.00 N ATOM 654 CA ILE A 181 22.246 -8.897 -7.698 1.00 0.00 C ATOM 655 C ILE A 181 22.900 -10.199 -7.233 1.00 0.00 C ATOM 656 O ILE A 181 22.699 -11.243 -7.846 1.00 0.00 O ATOM 657 CB ILE A 181 23.290 -7.979 -8.356 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.621 -6.698 -8.875 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.934 -8.720 -9.534 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.666 -5.592 -9.035 1.00 0.00 C ATOM 0 H ILE A 181 22.006 -7.300 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 181 21.479 -9.133 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 181 24.046 -7.711 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.136 -6.893 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.843 -6.378 -8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.676 -8.076 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.418 -9.627 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.166 -8.984 -10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.184 -4.687 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.131 -5.389 -8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.428 -5.912 -9.745 1.00 0.00 H new ATOM 672 N LYS A 182 23.688 -10.129 -6.152 1.00 0.00 N ATOM 673 CA LYS A 182 24.387 -11.291 -5.622 1.00 0.00 C ATOM 674 C LYS A 182 23.402 -12.427 -5.341 1.00 0.00 C ATOM 675 O LYS A 182 23.582 -13.540 -5.839 1.00 0.00 O ATOM 676 CB LYS A 182 25.131 -10.889 -4.343 1.00 0.00 C ATOM 677 CG LYS A 182 25.917 -12.084 -3.795 1.00 0.00 C ATOM 678 CD LYS A 182 26.713 -11.651 -2.563 1.00 0.00 C ATOM 679 CE LYS A 182 27.498 -12.845 -2.013 1.00 0.00 C ATOM 680 NZ LYS A 182 28.241 -12.475 -0.794 1.00 0.00 N ATOM 0 H LYS A 182 23.854 -9.269 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 182 25.107 -11.649 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.810 -10.062 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.421 -10.537 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.234 -12.893 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.591 -12.470 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.396 -10.843 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.039 -11.263 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.813 -13.663 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.193 -13.207 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.764 -13.302 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.910 -11.710 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.573 -12.152 -0.065 1.00 0.00 H new ATOM 694 N ASN A 183 22.368 -12.145 -4.540 1.00 0.00 N ATOM 695 CA ASN A 183 21.372 -13.144 -4.176 1.00 0.00 C ATOM 696 C ASN A 183 20.711 -13.716 -5.428 1.00 0.00 C ATOM 697 O ASN A 183 20.668 -14.932 -5.598 1.00 0.00 O ATOM 698 CB ASN A 183 20.324 -12.512 -3.253 1.00 0.00 C ATOM 699 CG ASN A 183 20.835 -12.437 -1.816 1.00 0.00 C ATOM 700 OD1 ASN A 183 20.773 -13.559 -1.098 1.00 0.00 O flip ATOM 701 ND2 ASN A 183 21.277 -11.385 -1.364 1.00 0.00 N flip ATOM 0 H ASN A 183 22.204 -11.225 -4.132 1.00 0.00 H new ATOM 0 HA ASN A 183 21.861 -13.962 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.078 -11.511 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.405 -13.097 -3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 183 21.306 -10.550 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.616 -11.345 -0.403 1.00 0.00 H new ATOM 708 N HIS A 184 20.193 -12.841 -6.298 1.00 0.00 N ATOM 709 CA HIS A 184 19.520 -13.268 -7.518 1.00 0.00 C ATOM 710 C HIS A 184 20.412 -14.206 -8.328 1.00 0.00 C ATOM 711 O HIS A 184 19.996 -15.310 -8.676 1.00 0.00 O ATOM 712 CB HIS A 184 19.154 -12.039 -8.353 1.00 0.00 C ATOM 713 CG HIS A 184 18.812 -12.394 -9.778 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.835 -13.329 -10.107 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.309 -11.965 -10.983 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.806 -13.401 -11.453 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.683 -12.593 -12.048 1.00 0.00 N ATOM 0 H HIS A 184 20.230 -11.829 -6.174 1.00 0.00 H new ATOM 0 HA HIS A 184 18.613 -13.810 -7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.306 -11.531 -7.894 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.988 -11.337 -8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.092 -11.228 -11.088 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.136 -14.051 -11.997 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.852 -12.467 -13.046 1.00 0.00 H new ATOM 725 N TRP A 185 21.631 -13.757 -8.635 1.00 0.00 N ATOM 726 CA TRP A 185 22.560 -14.533 -9.433 1.00 0.00 C ATOM 727 C TRP A 185 22.784 -15.906 -8.807 1.00 0.00 C ATOM 728 O TRP A 185 22.484 -16.916 -9.425 1.00 0.00 O ATOM 729 CB TRP A 185 23.884 -13.772 -9.562 1.00 0.00 C ATOM 730 CG TRP A 185 24.937 -14.485 -10.359 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.727 -15.471 -9.906 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.336 -14.285 -11.748 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.584 -15.910 -10.882 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.389 -15.207 -12.054 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.921 -13.424 -12.786 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.991 -15.265 -13.312 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.529 -13.478 -14.058 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.563 -14.396 -14.319 1.00 0.00 C ATOM 0 H TRP A 185 21.992 -12.851 -8.336 1.00 0.00 H new ATOM 0 HA TRP A 185 22.140 -14.683 -10.428 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.689 -12.805 -10.025 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.274 -13.575 -8.563 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.692 -15.867 -8.902 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.271 -16.654 -10.759 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.127 -12.714 -12.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.781 -15.976 -13.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.198 -12.809 -14.838 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.024 -14.429 -15.295 1.00 0.00 H new ATOM 749 N ASN A 186 23.322 -15.942 -7.586 1.00 0.00 N ATOM 750 CA ASN A 186 23.643 -17.199 -6.917 1.00 0.00 C ATOM 751 C ASN A 186 22.408 -18.093 -6.780 1.00 0.00 C ATOM 752 O ASN A 186 22.535 -19.317 -6.775 1.00 0.00 O ATOM 753 CB ASN A 186 24.251 -16.905 -5.543 1.00 0.00 C ATOM 754 CG ASN A 186 25.708 -16.469 -5.677 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.616 -17.284 -5.542 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.930 -15.182 -5.946 1.00 0.00 N ATOM 0 H ASN A 186 23.544 -15.109 -7.040 1.00 0.00 H new ATOM 0 HA ASN A 186 24.368 -17.739 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.677 -16.123 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.189 -17.794 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.885 -14.840 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.144 -14.540 -6.050 1.00 0.00 H new ATOM 763 N SER A 187 21.222 -17.497 -6.664 1.00 0.00 N ATOM 764 CA SER A 187 19.996 -18.259 -6.507 1.00 0.00 C ATOM 765 C SER A 187 19.595 -18.932 -7.825 1.00 0.00 C ATOM 766 O SER A 187 19.448 -20.152 -7.872 1.00 0.00 O ATOM 767 CB SER A 187 18.881 -17.331 -6.015 1.00 0.00 C ATOM 768 OG SER A 187 17.683 -18.063 -5.868 1.00 0.00 O ATOM 0 H SER A 187 21.090 -16.486 -6.677 1.00 0.00 H new ATOM 0 HA SER A 187 20.161 -19.046 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.163 -16.881 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.735 -16.515 -6.723 1.00 0.00 H new ATOM 0 HG SER A 187 16.972 -17.467 -5.552 1.00 0.00 H new ATOM 774 N THR A 188 19.396 -18.134 -8.883 1.00 0.00 N ATOM 775 CA THR A 188 18.905 -18.642 -10.159 1.00 0.00 C ATOM 776 C THR A 188 20.044 -18.979 -11.129 1.00 0.00 C ATOM 777 O THR A 188 20.127 -20.107 -11.612 1.00 0.00 O ATOM 778 CB THR A 188 17.971 -17.591 -10.777 1.00 0.00 C ATOM 779 OG1 THR A 188 17.066 -17.128 -9.797 1.00 0.00 O ATOM 780 CG2 THR A 188 17.187 -18.209 -11.938 1.00 0.00 C ATOM 0 H THR A 188 19.571 -17.129 -8.874 1.00 0.00 H new ATOM 0 HA THR A 188 18.366 -19.572 -9.976 1.00 0.00 H new ATOM 0 HB THR A 188 18.568 -16.758 -11.148 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.472 -16.456 -10.192 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.527 -17.458 -12.372 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.882 -18.563 -12.699 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.593 -19.046 -11.571 1.00 0.00 H new ATOM 788 N MET A 189 20.901 -17.999 -11.437 1.00 0.00 N ATOM 789 CA MET A 189 21.954 -18.176 -12.430 1.00 0.00 C ATOM 790 C MET A 189 23.094 -19.037 -11.885 1.00 0.00 C ATOM 791 O MET A 189 23.217 -20.204 -12.255 1.00 0.00 O ATOM 792 CB MET A 189 22.473 -16.802 -12.869 1.00 0.00 C ATOM 793 CG MET A 189 21.357 -16.027 -13.579 1.00 0.00 C ATOM 794 SD MET A 189 21.879 -14.428 -14.250 1.00 0.00 S ATOM 795 CE MET A 189 23.093 -15.002 -15.464 1.00 0.00 C ATOM 0 H MET A 189 20.881 -17.074 -11.008 1.00 0.00 H new ATOM 0 HA MET A 189 21.539 -18.698 -13.292 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.823 -16.241 -12.002 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.326 -16.922 -13.536 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.964 -16.639 -14.391 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.539 -15.865 -12.877 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.446 -14.156 -16.054 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.936 -15.461 -14.947 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.629 -15.736 -16.123 1.00 0.00 H new ATOM 805 N ARG A 190 23.930 -18.448 -11.016 1.00 0.00 N ATOM 806 CA ARG A 190 25.080 -19.122 -10.426 1.00 0.00 C ATOM 807 C ARG A 190 26.185 -19.272 -11.476 1.00 0.00 C ATOM 808 O ARG A 190 27.202 -18.585 -11.396 1.00 0.00 O ATOM 809 CB ARG A 190 24.650 -20.475 -9.831 1.00 0.00 C ATOM 810 CG ARG A 190 25.650 -20.915 -8.757 1.00 0.00 C ATOM 811 CD ARG A 190 25.066 -22.085 -7.961 1.00 0.00 C ATOM 812 NE ARG A 190 23.855 -21.669 -7.244 1.00 0.00 N ATOM 813 CZ ARG A 190 23.019 -22.527 -6.641 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.323 -23.830 -6.566 1.00 0.00 N ATOM 815 NH2 ARG A 190 21.877 -22.073 -6.113 1.00 0.00 N ATOM 0 H ARG A 190 23.820 -17.483 -10.705 1.00 0.00 H new ATOM 0 HA ARG A 190 25.483 -18.524 -9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.653 -20.391 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.594 -21.227 -10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.591 -21.211 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.872 -20.082 -8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.831 -22.909 -8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.806 -22.455 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 190 23.637 -20.673 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 190 24.195 -24.174 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.683 -24.477 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 190 21.647 -21.081 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 190 21.236 -22.719 -5.653 1.00 0.00 H new