USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 353 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= -0.69 X(o=0.073,f=0.43) USER MOD Set 1.2: A 188 THR OG1 : rot -51:sc= 0.762 USER MOD Single : A 148 THR OG1 : rot 43:sc= 0.554 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.139 K(o=0.14,f=-3.4!) USER MOD Single : A 159 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-1.6) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= 0.228 K(o=0.23,f=-2.7!) USER MOD Single : A 171 LYS NZ :NH3+ 169:sc= -0.0331 (180deg=-0.285) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.042) USER MOD Single : A 182 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.988) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.803 -9.132 -12.175 1.00 0.00 N ATOM 121 CA TRP A 147 13.900 -9.035 -13.132 1.00 0.00 C ATOM 122 C TRP A 147 13.384 -9.380 -14.532 1.00 0.00 C ATOM 123 O TRP A 147 12.207 -9.702 -14.701 1.00 0.00 O ATOM 124 CB TRP A 147 15.025 -9.986 -12.710 1.00 0.00 C ATOM 125 CG TRP A 147 15.785 -9.541 -11.502 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.329 -9.566 -10.242 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.136 -8.996 -11.412 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.268 -9.081 -9.365 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.415 -8.708 -10.038 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.161 -8.713 -12.344 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.632 -8.169 -9.617 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.393 -8.169 -11.920 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.623 -7.898 -10.562 1.00 0.00 C ATOM 0 HA TRP A 147 14.295 -8.019 -13.151 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.599 -10.970 -12.515 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.721 -10.099 -13.541 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.351 -9.921 -9.954 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.137 -9.007 -8.356 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.000 -8.915 -13.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.805 -7.964 -8.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.165 -7.960 -12.646 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.568 -7.479 -10.248 1.00 0.00 H new ATOM 144 N THR A 148 14.268 -9.313 -15.535 1.00 0.00 N ATOM 145 CA THR A 148 13.912 -9.636 -16.910 1.00 0.00 C ATOM 146 C THR A 148 15.166 -10.069 -17.673 1.00 0.00 C ATOM 147 O THR A 148 16.285 -9.870 -17.201 1.00 0.00 O ATOM 148 CB THR A 148 13.230 -8.423 -17.577 1.00 0.00 C ATOM 149 OG1 THR A 148 13.022 -8.683 -18.953 1.00 0.00 O ATOM 150 CG2 THR A 148 14.100 -7.172 -17.429 1.00 0.00 C ATOM 0 H THR A 148 15.242 -9.035 -15.412 1.00 0.00 H new ATOM 0 HA THR A 148 13.202 -10.463 -16.925 1.00 0.00 H new ATOM 0 HB THR A 148 12.272 -8.254 -17.085 1.00 0.00 H new ATOM 0 HG1 THR A 148 12.697 -9.600 -19.067 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.604 -6.326 -17.905 1.00 0.00 H new ATOM 0 HG22 THR A 148 14.250 -6.956 -16.371 1.00 0.00 H new ATOM 0 HG23 THR A 148 15.066 -7.342 -17.905 1.00 0.00 H new ATOM 158 N GLU A 149 14.960 -10.670 -18.847 1.00 0.00 N ATOM 159 CA GLU A 149 16.037 -11.170 -19.689 1.00 0.00 C ATOM 160 C GLU A 149 17.073 -10.076 -19.960 1.00 0.00 C ATOM 161 O GLU A 149 18.274 -10.342 -19.955 1.00 0.00 O ATOM 162 CB GLU A 149 15.446 -11.679 -21.013 1.00 0.00 C ATOM 163 CG GLU A 149 14.250 -12.610 -20.749 1.00 0.00 C ATOM 164 CD GLU A 149 12.924 -11.859 -20.878 1.00 0.00 C ATOM 165 OE1 GLU A 149 12.491 -11.277 -19.854 1.00 0.00 O ATOM 166 OE2 GLU A 149 12.371 -11.878 -21.998 1.00 0.00 O ATOM 0 H GLU A 149 14.031 -10.822 -19.239 1.00 0.00 H new ATOM 0 HA GLU A 149 16.540 -11.987 -19.172 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.128 -10.834 -21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.211 -12.212 -21.578 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.270 -13.441 -21.454 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.333 -13.038 -19.750 1.00 0.00 H new ATOM 173 N GLU A 150 16.603 -8.845 -20.204 1.00 0.00 N ATOM 174 CA GLU A 150 17.484 -7.726 -20.506 1.00 0.00 C ATOM 175 C GLU A 150 18.418 -7.440 -19.325 1.00 0.00 C ATOM 176 O GLU A 150 19.556 -7.025 -19.523 1.00 0.00 O ATOM 177 CB GLU A 150 16.632 -6.495 -20.849 1.00 0.00 C ATOM 178 CG GLU A 150 17.518 -5.372 -21.408 1.00 0.00 C ATOM 179 CD GLU A 150 18.263 -5.824 -22.659 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.588 -5.988 -23.699 1.00 0.00 O ATOM 181 OE2 GLU A 150 19.497 -6.001 -22.555 1.00 0.00 O ATOM 0 H GLU A 150 15.611 -8.606 -20.196 1.00 0.00 H new ATOM 0 HA GLU A 150 18.109 -7.975 -21.363 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.870 -6.764 -21.580 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.110 -6.146 -19.958 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.903 -4.503 -21.643 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.235 -5.059 -20.649 1.00 0.00 H new ATOM 188 N GLU A 151 17.945 -7.668 -18.097 1.00 0.00 N ATOM 189 CA GLU A 151 18.756 -7.446 -16.907 1.00 0.00 C ATOM 190 C GLU A 151 19.672 -8.649 -16.682 1.00 0.00 C ATOM 191 O GLU A 151 20.831 -8.488 -16.306 1.00 0.00 O ATOM 192 CB GLU A 151 17.844 -7.226 -15.695 1.00 0.00 C ATOM 193 CG GLU A 151 17.080 -5.901 -15.833 1.00 0.00 C ATOM 194 CD GLU A 151 17.786 -4.776 -15.084 1.00 0.00 C ATOM 195 OE1 GLU A 151 19.002 -4.610 -15.316 1.00 0.00 O ATOM 196 OE2 GLU A 151 17.092 -4.102 -14.290 1.00 0.00 O ATOM 0 H GLU A 151 17.002 -8.007 -17.905 1.00 0.00 H new ATOM 0 HA GLU A 151 19.373 -6.558 -17.042 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.139 -8.052 -15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.439 -7.217 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 151 16.989 -5.639 -16.887 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.068 -6.020 -15.446 1.00 0.00 H new ATOM 203 N ASP A 152 19.144 -9.859 -16.912 1.00 0.00 N ATOM 204 CA ASP A 152 19.897 -11.089 -16.710 1.00 0.00 C ATOM 205 C ASP A 152 21.120 -11.141 -17.625 1.00 0.00 C ATOM 206 O ASP A 152 22.228 -11.397 -17.156 1.00 0.00 O ATOM 207 CB ASP A 152 18.987 -12.290 -16.965 1.00 0.00 C ATOM 208 CG ASP A 152 19.761 -13.593 -16.809 1.00 0.00 C ATOM 209 OD1 ASP A 152 20.535 -13.679 -15.829 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.569 -14.474 -17.672 1.00 0.00 O ATOM 0 H ASP A 152 18.190 -10.005 -17.241 1.00 0.00 H new ATOM 0 HA ASP A 152 20.253 -11.117 -15.680 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.149 -12.273 -16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.567 -12.228 -17.969 1.00 0.00 H new ATOM 215 N ARG A 153 20.929 -10.909 -18.931 1.00 0.00 N ATOM 216 CA ARG A 153 22.038 -10.958 -19.882 1.00 0.00 C ATOM 217 C ARG A 153 23.128 -9.964 -19.469 1.00 0.00 C ATOM 218 O ARG A 153 24.316 -10.255 -19.621 1.00 0.00 O ATOM 219 CB ARG A 153 21.531 -10.705 -21.316 1.00 0.00 C ATOM 220 CG ARG A 153 20.947 -9.292 -21.463 1.00 0.00 C ATOM 221 CD ARG A 153 21.970 -8.358 -22.128 1.00 0.00 C ATOM 222 NE ARG A 153 22.259 -8.780 -23.504 1.00 0.00 N ATOM 223 CZ ARG A 153 21.431 -8.549 -24.539 1.00 0.00 C ATOM 224 NH1 ARG A 153 20.328 -7.802 -24.382 1.00 0.00 N ATOM 225 NH2 ARG A 153 21.709 -9.073 -25.740 1.00 0.00 N ATOM 0 H ARG A 153 20.024 -10.688 -19.346 1.00 0.00 H new ATOM 0 HA ARG A 153 22.480 -11.954 -19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.351 -10.837 -22.022 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.770 -11.443 -21.570 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.036 -9.328 -22.060 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.671 -8.902 -20.483 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.587 -7.338 -22.131 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.892 -8.351 -21.546 1.00 0.00 H new ATOM 0 HE ARG A 153 23.133 -9.274 -23.685 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.109 -7.402 -23.470 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.708 -7.634 -25.175 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.545 -9.644 -25.866 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.085 -8.901 -26.528 1.00 0.00 H new ATOM 239 N ILE A 154 22.733 -8.801 -18.933 1.00 0.00 N ATOM 240 CA ILE A 154 23.688 -7.808 -18.467 1.00 0.00 C ATOM 241 C ILE A 154 24.390 -8.351 -17.225 1.00 0.00 C ATOM 242 O ILE A 154 25.591 -8.160 -17.062 1.00 0.00 O ATOM 243 CB ILE A 154 22.963 -6.481 -18.159 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.429 -5.845 -19.458 1.00 0.00 C ATOM 245 CG2 ILE A 154 23.920 -5.510 -17.456 1.00 0.00 C ATOM 246 CD1 ILE A 154 23.561 -5.206 -20.274 1.00 0.00 C ATOM 0 H ILE A 154 21.756 -8.532 -18.815 1.00 0.00 H new ATOM 0 HA ILE A 154 24.431 -7.609 -19.239 1.00 0.00 H new ATOM 0 HB ILE A 154 22.120 -6.690 -17.500 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.930 -6.605 -20.059 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.682 -5.089 -19.215 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.399 -4.576 -17.243 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.267 -5.953 -16.523 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.774 -5.309 -18.102 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.151 -4.767 -21.183 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.043 -4.429 -19.681 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.294 -5.968 -20.538 1.00 0.00 H new ATOM 258 N LEU A 155 23.636 -9.031 -16.352 1.00 0.00 N ATOM 259 CA LEU A 155 24.187 -9.606 -15.136 1.00 0.00 C ATOM 260 C LEU A 155 25.270 -10.624 -15.490 1.00 0.00 C ATOM 261 O LEU A 155 26.342 -10.607 -14.899 1.00 0.00 O ATOM 262 CB LEU A 155 23.059 -10.264 -14.316 1.00 0.00 C ATOM 263 CG LEU A 155 23.394 -10.210 -12.818 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.488 -8.743 -12.371 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.293 -10.920 -12.014 1.00 0.00 C ATOM 0 H LEU A 155 22.636 -9.193 -16.474 1.00 0.00 H new ATOM 0 HA LEU A 155 24.640 -8.820 -14.531 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.116 -9.751 -14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.927 -11.299 -14.630 1.00 0.00 H new ATOM 0 HG LEU A 155 24.347 -10.709 -12.642 1.00 0.00 H new ATOM 0 HD11 LEU A 155 23.726 -8.701 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.271 -8.239 -12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 155 22.534 -8.246 -12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.535 -10.879 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.338 -10.424 -12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.225 -11.961 -12.331 1.00 0.00 H new ATOM 277 N TYR A 156 24.989 -11.504 -16.454 1.00 0.00 N ATOM 278 CA TYR A 156 25.942 -12.521 -16.874 1.00 0.00 C ATOM 279 C TYR A 156 27.179 -11.865 -17.482 1.00 0.00 C ATOM 280 O TYR A 156 28.301 -12.137 -17.053 1.00 0.00 O ATOM 281 CB TYR A 156 25.267 -13.461 -17.884 1.00 0.00 C ATOM 282 CG TYR A 156 26.097 -14.686 -18.226 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.204 -14.573 -19.091 1.00 0.00 C ATOM 284 CD2 TYR A 156 25.758 -15.941 -17.687 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.969 -15.710 -19.406 1.00 0.00 C ATOM 286 CE2 TYR A 156 26.524 -17.074 -18.002 1.00 0.00 C ATOM 287 CZ TYR A 156 27.629 -16.958 -18.862 1.00 0.00 C ATOM 288 OH TYR A 156 28.374 -18.060 -19.168 1.00 0.00 O ATOM 0 H TYR A 156 24.102 -11.528 -16.958 1.00 0.00 H new ATOM 0 HA TYR A 156 26.262 -13.103 -16.010 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.307 -13.784 -17.481 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.058 -12.907 -18.799 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.465 -13.613 -19.512 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.906 -16.032 -17.029 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.819 -15.623 -20.067 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.264 -18.035 -17.583 1.00 0.00 H new ATOM 0 HH TYR A 156 28.005 -18.843 -18.708 1.00 0.00 H new ATOM 298 N GLN A 157 26.972 -11.004 -18.482 1.00 0.00 N ATOM 299 CA GLN A 157 28.064 -10.323 -19.160 1.00 0.00 C ATOM 300 C GLN A 157 28.945 -9.591 -18.144 1.00 0.00 C ATOM 301 O GLN A 157 30.168 -9.710 -18.183 1.00 0.00 O ATOM 302 CB GLN A 157 27.485 -9.340 -20.184 1.00 0.00 C ATOM 303 CG GLN A 157 26.926 -10.112 -21.387 1.00 0.00 C ATOM 304 CD GLN A 157 25.999 -9.234 -22.230 1.00 0.00 C ATOM 305 OE1 GLN A 157 24.950 -9.690 -22.685 1.00 0.00 O ATOM 306 NE2 GLN A 157 26.386 -7.974 -22.442 1.00 0.00 N ATOM 0 H GLN A 157 26.047 -10.764 -18.838 1.00 0.00 H new ATOM 0 HA GLN A 157 28.685 -11.054 -19.678 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.696 -8.744 -19.724 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.258 -8.646 -20.513 1.00 0.00 H new ATOM 0 HG2 GLN A 157 27.749 -10.473 -22.004 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.381 -10.989 -21.038 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.263 -7.637 -22.046 1.00 0.00 H new ATOM 0 HE22 GLN A 157 25.804 -7.349 -23.000 1.00 0.00 H new ATOM 315 N ALA A 158 28.318 -8.834 -17.241 1.00 0.00 N ATOM 316 CA ALA A 158 29.034 -8.068 -16.234 1.00 0.00 C ATOM 317 C ALA A 158 29.781 -8.992 -15.276 1.00 0.00 C ATOM 318 O ALA A 158 30.961 -8.782 -15.009 1.00 0.00 O ATOM 319 CB ALA A 158 28.037 -7.205 -15.461 1.00 0.00 C ATOM 0 H ALA A 158 27.304 -8.739 -17.192 1.00 0.00 H new ATOM 0 HA ALA A 158 29.768 -7.432 -16.728 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.567 -6.627 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.533 -6.526 -16.149 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.299 -7.846 -14.978 1.00 0.00 H new ATOM 325 N HIS A 159 29.085 -10.009 -14.752 1.00 0.00 N ATOM 326 CA HIS A 159 29.662 -10.930 -13.783 1.00 0.00 C ATOM 327 C HIS A 159 30.926 -11.597 -14.325 1.00 0.00 C ATOM 328 O HIS A 159 31.792 -11.988 -13.550 1.00 0.00 O ATOM 329 CB HIS A 159 28.628 -11.990 -13.403 1.00 0.00 C ATOM 330 CG HIS A 159 29.089 -12.819 -12.243 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.349 -14.180 -12.336 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.359 -12.495 -10.945 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.747 -14.582 -11.112 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.775 -13.598 -10.213 1.00 0.00 N ATOM 0 H HIS A 159 28.114 -10.210 -14.990 1.00 0.00 H new ATOM 0 HA HIS A 159 29.944 -10.360 -12.898 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.684 -11.505 -13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.437 -12.636 -14.260 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.261 -11.500 -10.537 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.017 -15.602 -10.882 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.038 -13.645 -9.229 1.00 0.00 H new ATOM 342 N LYS A 160 31.035 -11.735 -15.647 1.00 0.00 N ATOM 343 CA LYS A 160 32.199 -12.355 -16.253 1.00 0.00 C ATOM 344 C LYS A 160 33.259 -11.293 -16.556 1.00 0.00 C ATOM 345 O LYS A 160 34.416 -11.448 -16.174 1.00 0.00 O ATOM 346 CB LYS A 160 31.779 -13.075 -17.542 1.00 0.00 C ATOM 347 CG LYS A 160 30.839 -14.249 -17.225 1.00 0.00 C ATOM 348 CD LYS A 160 31.638 -15.426 -16.651 1.00 0.00 C ATOM 349 CE LYS A 160 30.744 -16.668 -16.582 1.00 0.00 C ATOM 350 NZ LYS A 160 31.486 -17.824 -16.048 1.00 0.00 N ATOM 0 H LYS A 160 30.328 -11.424 -16.313 1.00 0.00 H new ATOM 0 HA LYS A 160 32.626 -13.082 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.280 -12.373 -18.211 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.663 -13.441 -18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.079 -13.933 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.317 -14.561 -18.129 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.509 -15.626 -17.275 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.009 -15.177 -15.657 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.879 -16.463 -15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.364 -16.903 -17.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.858 -18.652 -16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.297 -18.031 -16.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.827 -17.605 -15.090 1.00 0.00 H new ATOM 364 N ARG A 161 32.860 -10.222 -17.254 1.00 0.00 N ATOM 365 CA ARG A 161 33.778 -9.158 -17.647 1.00 0.00 C ATOM 366 C ARG A 161 34.384 -8.482 -16.417 1.00 0.00 C ATOM 367 O ARG A 161 35.601 -8.487 -16.248 1.00 0.00 O ATOM 368 CB ARG A 161 33.028 -8.134 -18.506 1.00 0.00 C ATOM 369 CG ARG A 161 32.711 -8.738 -19.877 1.00 0.00 C ATOM 370 CD ARG A 161 31.770 -7.806 -20.648 1.00 0.00 C ATOM 371 NE ARG A 161 32.388 -6.490 -20.871 1.00 0.00 N ATOM 372 CZ ARG A 161 33.291 -6.251 -21.841 1.00 0.00 C ATOM 373 NH1 ARG A 161 33.691 -7.239 -22.654 1.00 0.00 N ATOM 374 NH2 ARG A 161 33.794 -5.019 -21.992 1.00 0.00 N ATOM 0 H ARG A 161 31.898 -10.074 -17.558 1.00 0.00 H new ATOM 0 HA ARG A 161 34.594 -9.589 -18.227 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.106 -7.835 -18.008 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.632 -7.235 -18.626 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.632 -8.888 -20.441 1.00 0.00 H new ATOM 0 HG3 ARG A 161 32.249 -9.718 -19.755 1.00 0.00 H new ATOM 0 HD2 ARG A 161 31.513 -8.257 -21.607 1.00 0.00 H new ATOM 0 HD3 ARG A 161 30.840 -7.684 -20.093 1.00 0.00 H new ATOM 0 HE ARG A 161 32.119 -5.719 -20.260 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.311 -8.179 -22.540 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.375 -7.051 -23.387 1.00 0.00 H new ATOM 0 HH21 ARG A 161 33.493 -4.266 -21.373 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.478 -4.834 -22.725 1.00 0.00 H new ATOM 388 N LEU A 162 33.536 -7.899 -15.565 1.00 0.00 N ATOM 389 CA LEU A 162 33.997 -7.206 -14.366 1.00 0.00 C ATOM 390 C LEU A 162 34.313 -8.221 -13.263 1.00 0.00 C ATOM 391 O LEU A 162 34.859 -7.853 -12.224 1.00 0.00 O ATOM 392 CB LEU A 162 32.912 -6.221 -13.887 1.00 0.00 C ATOM 393 CG LEU A 162 32.959 -4.888 -14.666 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.272 -4.147 -14.384 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.819 -5.133 -16.173 1.00 0.00 C ATOM 0 H LEU A 162 32.523 -7.895 -15.687 1.00 0.00 H new ATOM 0 HA LEU A 162 34.905 -6.650 -14.600 1.00 0.00 H new ATOM 0 HB2 LEU A 162 31.929 -6.677 -14.007 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.044 -6.024 -12.823 1.00 0.00 H new ATOM 0 HG LEU A 162 32.123 -4.274 -14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.288 -3.210 -14.941 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.349 -3.936 -13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.113 -4.767 -14.693 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.855 -4.180 -16.701 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.635 -5.769 -16.516 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.867 -5.624 -16.375 1.00 0.00 H new ATOM 407 N GLY A 163 33.973 -9.496 -13.485 1.00 0.00 N ATOM 408 CA GLY A 163 34.210 -10.536 -12.502 1.00 0.00 C ATOM 409 C GLY A 163 33.124 -10.486 -11.433 1.00 0.00 C ATOM 410 O GLY A 163 32.081 -9.870 -11.631 1.00 0.00 O ATOM 0 H GLY A 163 33.531 -9.824 -14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.214 -11.513 -12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.191 -10.402 -12.045 1.00 0.00 H new ATOM 414 N ASN A 164 33.371 -11.132 -10.294 1.00 0.00 N ATOM 415 CA ASN A 164 32.413 -11.167 -9.194 1.00 0.00 C ATOM 416 C ASN A 164 32.495 -9.883 -8.361 1.00 0.00 C ATOM 417 O ASN A 164 32.132 -9.883 -7.185 1.00 0.00 O ATOM 418 CB ASN A 164 32.695 -12.407 -8.348 1.00 0.00 C ATOM 419 CG ASN A 164 34.038 -12.290 -7.631 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.087 -12.286 -8.271 1.00 0.00 O ATOM 421 ND2 ASN A 164 34.005 -12.193 -6.303 1.00 0.00 N ATOM 0 H ASN A 164 34.235 -11.642 -10.110 1.00 0.00 H new ATOM 0 HA ASN A 164 31.397 -11.224 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 164 31.899 -12.540 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.695 -13.292 -8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 164 34.874 -12.111 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.110 -12.201 -5.813 1.00 0.00 H new ATOM 428 N ARG A 165 32.957 -8.785 -8.978 1.00 0.00 N ATOM 429 CA ARG A 165 33.045 -7.497 -8.315 1.00 0.00 C ATOM 430 C ARG A 165 31.674 -6.828 -8.377 1.00 0.00 C ATOM 431 O ARG A 165 31.510 -5.798 -9.027 1.00 0.00 O ATOM 432 CB ARG A 165 34.110 -6.635 -9.008 1.00 0.00 C ATOM 433 CG ARG A 165 35.468 -7.343 -8.962 1.00 0.00 C ATOM 434 CD ARG A 165 36.536 -6.443 -9.593 1.00 0.00 C ATOM 435 NE ARG A 165 37.858 -7.083 -9.552 1.00 0.00 N ATOM 436 CZ ARG A 165 38.258 -8.018 -10.437 1.00 0.00 C ATOM 437 NH1 ARG A 165 37.445 -8.416 -11.424 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.481 -8.552 -10.329 1.00 0.00 N ATOM 0 H ARG A 165 33.276 -8.776 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 165 33.336 -7.620 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.822 -6.449 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.180 -5.664 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.735 -7.574 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.414 -8.291 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.267 -6.223 -10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.573 -5.491 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 165 38.507 -6.805 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.513 -8.011 -11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.758 -9.124 -12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.105 -8.251 -9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.789 -9.260 -10.996 1.00 0.00 H new ATOM 452 N TRP A 166 30.692 -7.431 -7.701 1.00 0.00 N ATOM 453 CA TRP A 166 29.325 -6.934 -7.689 1.00 0.00 C ATOM 454 C TRP A 166 29.287 -5.441 -7.353 1.00 0.00 C ATOM 455 O TRP A 166 28.574 -4.679 -8.002 1.00 0.00 O ATOM 456 CB TRP A 166 28.518 -7.725 -6.667 1.00 0.00 C ATOM 457 CG TRP A 166 28.301 -9.172 -6.992 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.620 -10.204 -6.193 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.698 -9.782 -8.177 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.241 -11.398 -6.747 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.652 -11.200 -7.980 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.172 -9.293 -9.398 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.096 -12.071 -8.917 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.624 -10.175 -10.357 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.577 -11.558 -10.112 1.00 0.00 C ATOM 0 H TRP A 166 30.829 -8.277 -7.148 1.00 0.00 H new ATOM 0 HA TRP A 166 28.892 -7.063 -8.681 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.023 -7.659 -5.703 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.545 -7.247 -6.551 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.112 -10.105 -5.237 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.376 -12.309 -6.309 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.190 -8.232 -9.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.066 -13.133 -8.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.238 -9.783 -11.286 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.142 -12.223 -10.843 1.00 0.00 H new ATOM 476 N ALA A 167 30.055 -5.030 -6.336 1.00 0.00 N ATOM 477 CA ALA A 167 30.103 -3.635 -5.915 1.00 0.00 C ATOM 478 C ALA A 167 30.477 -2.733 -7.094 1.00 0.00 C ATOM 479 O ALA A 167 29.903 -1.658 -7.258 1.00 0.00 O ATOM 480 CB ALA A 167 31.119 -3.487 -4.783 1.00 0.00 C ATOM 0 H ALA A 167 30.652 -5.652 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 167 29.119 -3.331 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.159 -2.445 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 167 30.820 -4.113 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.103 -3.797 -5.135 1.00 0.00 H new ATOM 486 N GLU A 168 31.437 -3.174 -7.913 1.00 0.00 N ATOM 487 CA GLU A 168 31.883 -2.409 -9.065 1.00 0.00 C ATOM 488 C GLU A 168 30.805 -2.427 -10.150 1.00 0.00 C ATOM 489 O GLU A 168 30.522 -1.405 -10.758 1.00 0.00 O ATOM 490 CB GLU A 168 33.197 -3.001 -9.583 1.00 0.00 C ATOM 491 CG GLU A 168 33.845 -2.041 -10.585 1.00 0.00 C ATOM 492 CD GLU A 168 35.211 -2.551 -11.034 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.473 -3.753 -10.812 1.00 0.00 O ATOM 494 OE2 GLU A 168 35.967 -1.727 -11.588 1.00 0.00 O ATOM 0 H GLU A 168 31.919 -4.065 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 168 32.055 -1.371 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.876 -3.184 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.009 -3.964 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.195 -1.923 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.953 -1.056 -10.131 1.00 0.00 H new ATOM 501 N ILE A 169 30.207 -3.594 -10.391 1.00 0.00 N ATOM 502 CA ILE A 169 29.172 -3.742 -11.409 1.00 0.00 C ATOM 503 C ILE A 169 27.986 -2.821 -11.106 1.00 0.00 C ATOM 504 O ILE A 169 27.390 -2.259 -12.027 1.00 0.00 O ATOM 505 CB ILE A 169 28.733 -5.211 -11.463 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.871 -6.049 -12.069 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.466 -5.352 -12.321 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.604 -7.542 -11.872 1.00 0.00 C ATOM 0 H ILE A 169 30.425 -4.455 -9.890 1.00 0.00 H new ATOM 0 HA ILE A 169 29.569 -3.454 -12.382 1.00 0.00 H new ATOM 0 HB ILE A 169 28.511 -5.563 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.966 -5.828 -13.132 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.818 -5.779 -11.601 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.163 -6.398 -12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.664 -4.755 -11.887 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.671 -5.003 -13.333 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.420 -8.118 -12.308 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.533 -7.761 -10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.668 -7.812 -12.361 1.00 0.00 H new ATOM 520 N ALA A 170 27.639 -2.663 -9.820 1.00 0.00 N ATOM 521 CA ALA A 170 26.514 -1.823 -9.423 1.00 0.00 C ATOM 522 C ALA A 170 26.719 -0.373 -9.872 1.00 0.00 C ATOM 523 O ALA A 170 25.768 0.400 -9.884 1.00 0.00 O ATOM 524 CB ALA A 170 26.321 -1.893 -7.913 1.00 0.00 C ATOM 0 H ALA A 170 28.125 -3.109 -9.042 1.00 0.00 H new ATOM 0 HA ALA A 170 25.616 -2.198 -9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.479 -1.263 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.121 -2.923 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.224 -1.542 -7.414 1.00 0.00 H new ATOM 530 N LYS A 171 27.948 0.003 -10.255 1.00 0.00 N ATOM 531 CA LYS A 171 28.208 1.346 -10.755 1.00 0.00 C ATOM 532 C LYS A 171 27.321 1.601 -11.976 1.00 0.00 C ATOM 533 O LYS A 171 26.836 2.713 -12.173 1.00 0.00 O ATOM 534 CB LYS A 171 29.685 1.485 -11.130 1.00 0.00 C ATOM 535 CG LYS A 171 30.547 1.515 -9.862 1.00 0.00 C ATOM 536 CD LYS A 171 32.038 1.411 -10.227 1.00 0.00 C ATOM 537 CE LYS A 171 32.460 2.564 -11.150 1.00 0.00 C ATOM 538 NZ LYS A 171 32.140 3.877 -10.559 1.00 0.00 N ATOM 0 H LYS A 171 28.767 -0.604 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 171 27.979 2.080 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.987 0.653 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.838 2.398 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 171 30.364 2.438 -9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.268 0.691 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 171 32.641 1.428 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 171 32.230 0.458 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 171 33.531 2.503 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.956 2.464 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.600 4.628 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.110 4.021 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.484 3.909 -9.578 1.00 0.00 H new ATOM 552 N LEU A 172 27.113 0.554 -12.789 1.00 0.00 N ATOM 553 CA LEU A 172 26.278 0.644 -13.977 1.00 0.00 C ATOM 554 C LEU A 172 24.809 0.500 -13.581 1.00 0.00 C ATOM 555 O LEU A 172 23.941 1.104 -14.208 1.00 0.00 O ATOM 556 CB LEU A 172 26.674 -0.461 -14.968 1.00 0.00 C ATOM 557 CG LEU A 172 27.916 -0.048 -15.777 1.00 0.00 C ATOM 558 CD1 LEU A 172 29.151 0.007 -14.870 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.154 -1.070 -16.890 1.00 0.00 C ATOM 0 H LEU A 172 27.520 -0.369 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 172 26.421 1.614 -14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.877 -1.385 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.844 -0.664 -15.645 1.00 0.00 H new ATOM 0 HG LEU A 172 27.747 0.940 -16.205 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.021 0.301 -15.457 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.987 0.735 -14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.324 -0.976 -14.431 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.033 -0.782 -17.466 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.314 -2.055 -16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.284 -1.102 -17.546 1.00 0.00 H new ATOM 571 N LEU A 173 24.535 -0.306 -12.539 1.00 0.00 N ATOM 572 CA LEU A 173 23.174 -0.542 -12.063 1.00 0.00 C ATOM 573 C LEU A 173 23.057 -0.155 -10.584 1.00 0.00 C ATOM 574 O LEU A 173 23.084 -1.028 -9.722 1.00 0.00 O ATOM 575 CB LEU A 173 22.819 -2.026 -12.258 1.00 0.00 C ATOM 576 CG LEU A 173 22.884 -2.417 -13.745 1.00 0.00 C ATOM 577 CD1 LEU A 173 22.764 -3.938 -13.870 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.734 -1.757 -14.515 1.00 0.00 C ATOM 0 H LEU A 173 25.251 -0.806 -12.011 1.00 0.00 H new ATOM 0 HA LEU A 173 22.478 0.072 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.507 -2.647 -11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.818 -2.218 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 173 23.833 -2.080 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.809 -4.221 -14.922 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.583 -4.413 -13.330 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.814 -4.264 -13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.790 -2.041 -15.566 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.782 -2.087 -14.100 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.812 -0.673 -14.427 1.00 0.00 H new ATOM 590 N PRO A 174 22.928 1.157 -10.282 1.00 0.00 N ATOM 591 CA PRO A 174 22.818 1.636 -8.916 1.00 0.00 C ATOM 592 C PRO A 174 21.555 1.096 -8.243 1.00 0.00 C ATOM 593 O PRO A 174 21.595 0.705 -7.079 1.00 0.00 O ATOM 594 CB PRO A 174 22.786 3.165 -9.011 1.00 0.00 C ATOM 595 CG PRO A 174 22.738 3.519 -10.501 1.00 0.00 C ATOM 596 CD PRO A 174 22.894 2.210 -11.276 1.00 0.00 C ATOM 0 HA PRO A 174 23.654 1.295 -8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.916 3.566 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.667 3.599 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.795 4.006 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.535 4.217 -10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.065 2.066 -11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.808 2.215 -11.870 1.00 0.00 H new ATOM 604 N GLY A 175 20.432 1.082 -8.979 1.00 0.00 N ATOM 605 CA GLY A 175 19.162 0.599 -8.452 1.00 0.00 C ATOM 606 C GLY A 175 19.317 -0.811 -7.884 1.00 0.00 C ATOM 607 O GLY A 175 18.840 -1.096 -6.787 1.00 0.00 O ATOM 0 H GLY A 175 20.387 1.403 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.805 1.273 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.411 0.598 -9.242 1.00 0.00 H new ATOM 611 N ARG A 176 19.987 -1.689 -8.634 1.00 0.00 N ATOM 612 CA ARG A 176 20.219 -3.057 -8.206 1.00 0.00 C ATOM 613 C ARG A 176 21.406 -3.087 -7.242 1.00 0.00 C ATOM 614 O ARG A 176 22.542 -2.868 -7.653 1.00 0.00 O ATOM 615 CB ARG A 176 20.507 -3.933 -9.433 1.00 0.00 C ATOM 616 CG ARG A 176 19.212 -4.535 -9.993 1.00 0.00 C ATOM 617 CD ARG A 176 18.301 -3.434 -10.546 1.00 0.00 C ATOM 618 NE ARG A 176 17.405 -3.969 -11.585 1.00 0.00 N ATOM 619 CZ ARG A 176 16.366 -4.783 -11.326 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.077 -5.146 -10.069 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.617 -5.235 -12.340 1.00 0.00 N ATOM 0 H ARG A 176 20.379 -1.467 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 176 19.336 -3.443 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.998 -3.337 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.196 -4.732 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.448 -5.250 -10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 176 18.692 -5.086 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.711 -3.004 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.907 -2.629 -10.961 1.00 0.00 H new ATOM 0 HE ARG A 176 17.582 -3.708 -12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.648 -4.804 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.286 -5.764 -9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.837 -4.962 -13.298 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.827 -5.853 -12.155 1.00 0.00 H new ATOM 635 N THR A 177 21.147 -3.366 -5.959 1.00 0.00 N ATOM 636 CA THR A 177 22.209 -3.430 -4.964 1.00 0.00 C ATOM 637 C THR A 177 22.928 -4.778 -5.086 1.00 0.00 C ATOM 638 O THR A 177 22.344 -5.759 -5.550 1.00 0.00 O ATOM 639 CB THR A 177 21.634 -3.202 -3.552 1.00 0.00 C ATOM 640 OG1 THR A 177 22.661 -3.336 -2.595 1.00 0.00 O ATOM 641 CG2 THR A 177 20.527 -4.211 -3.237 1.00 0.00 C ATOM 0 H THR A 177 20.213 -3.549 -5.592 1.00 0.00 H new ATOM 0 HA THR A 177 22.937 -2.639 -5.140 1.00 0.00 H new ATOM 0 HB THR A 177 21.213 -2.197 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.294 -3.189 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.140 -4.026 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 177 19.720 -4.105 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.931 -5.222 -3.289 1.00 0.00 H new ATOM 649 N ASP A 178 24.205 -4.814 -4.688 1.00 0.00 N ATOM 650 CA ASP A 178 25.045 -5.999 -4.820 1.00 0.00 C ATOM 651 C ASP A 178 24.375 -7.246 -4.233 1.00 0.00 C ATOM 652 O ASP A 178 24.439 -8.317 -4.838 1.00 0.00 O ATOM 653 CB ASP A 178 26.404 -5.740 -4.150 1.00 0.00 C ATOM 654 CG ASP A 178 26.273 -5.558 -2.641 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.448 -4.711 -2.238 1.00 0.00 O ATOM 656 OD2 ASP A 178 27.003 -6.271 -1.921 1.00 0.00 O ATOM 0 H ASP A 178 24.681 -4.018 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 178 25.196 -6.194 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.075 -6.574 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.858 -4.849 -4.584 1.00 0.00 H new ATOM 661 N ASN A 179 23.740 -7.128 -3.061 1.00 0.00 N ATOM 662 CA ASN A 179 23.128 -8.289 -2.420 1.00 0.00 C ATOM 663 C ASN A 179 21.799 -8.665 -3.084 1.00 0.00 C ATOM 664 O ASN A 179 21.297 -9.766 -2.862 1.00 0.00 O ATOM 665 CB ASN A 179 22.932 -8.048 -0.929 1.00 0.00 C ATOM 666 CG ASN A 179 24.123 -7.324 -0.311 1.00 0.00 C ATOM 667 OD1 ASN A 179 23.983 -6.215 0.191 1.00 0.00 O ATOM 668 ND2 ASN A 179 25.296 -7.956 -0.353 1.00 0.00 N ATOM 0 H ASN A 179 23.639 -6.253 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 179 23.812 -9.128 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.028 -7.460 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.784 -9.002 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 179 26.127 -7.517 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 179 25.363 -8.879 -0.782 1.00 0.00 H new ATOM 675 N ALA A 180 21.232 -7.773 -3.903 1.00 0.00 N ATOM 676 CA ALA A 180 20.008 -8.078 -4.636 1.00 0.00 C ATOM 677 C ALA A 180 20.402 -8.752 -5.945 1.00 0.00 C ATOM 678 O ALA A 180 19.681 -9.605 -6.461 1.00 0.00 O ATOM 679 CB ALA A 180 19.218 -6.797 -4.899 1.00 0.00 C ATOM 0 H ALA A 180 21.603 -6.838 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 180 19.370 -8.744 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.307 -7.037 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.958 -6.329 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.825 -6.110 -5.489 1.00 0.00 H new ATOM 685 N ILE A 181 21.564 -8.361 -6.468 1.00 0.00 N ATOM 686 CA ILE A 181 22.102 -8.921 -7.685 1.00 0.00 C ATOM 687 C ILE A 181 22.492 -10.360 -7.455 1.00 0.00 C ATOM 688 O ILE A 181 22.012 -11.252 -8.143 1.00 0.00 O ATOM 689 CB ILE A 181 23.313 -8.098 -8.106 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.810 -6.804 -8.712 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.141 -8.879 -9.116 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.874 -5.709 -8.598 1.00 0.00 C ATOM 0 H ILE A 181 22.154 -7.642 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 181 21.353 -8.893 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 181 23.948 -7.881 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.553 -6.962 -9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.899 -6.488 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.006 -8.286 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.479 -9.812 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.532 -9.099 -9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.495 -4.787 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.110 -5.539 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.775 -6.021 -9.127 1.00 0.00 H new ATOM 704 N LYS A 182 23.366 -10.587 -6.483 1.00 0.00 N ATOM 705 CA LYS A 182 23.804 -11.924 -6.171 1.00 0.00 C ATOM 706 C LYS A 182 22.582 -12.773 -5.787 1.00 0.00 C ATOM 707 O LYS A 182 22.554 -13.968 -6.061 1.00 0.00 O ATOM 708 CB LYS A 182 24.887 -11.862 -5.073 1.00 0.00 C ATOM 709 CG LYS A 182 24.501 -12.679 -3.850 1.00 0.00 C ATOM 710 CD LYS A 182 23.683 -11.785 -2.929 1.00 0.00 C ATOM 711 CE LYS A 182 22.818 -12.637 -1.995 1.00 0.00 C ATOM 712 NZ LYS A 182 22.010 -11.786 -1.107 1.00 0.00 N ATOM 0 H LYS A 182 23.780 -9.858 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 182 24.264 -12.405 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.831 -12.231 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 182 25.049 -10.825 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 182 23.923 -13.555 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.392 -13.042 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 182 24.347 -11.150 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 182 23.050 -11.124 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 182 22.164 -13.280 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 182 23.454 -13.291 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 21.209 -12.335 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 22.598 -11.452 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 21.652 -10.969 -1.641 1.00 0.00 H new ATOM 726 N ASN A 183 21.564 -12.157 -5.159 1.00 0.00 N ATOM 727 CA ASN A 183 20.358 -12.880 -4.788 1.00 0.00 C ATOM 728 C ASN A 183 19.715 -13.416 -6.055 1.00 0.00 C ATOM 729 O ASN A 183 19.333 -14.578 -6.108 1.00 0.00 O ATOM 730 CB ASN A 183 19.397 -11.966 -4.022 1.00 0.00 C ATOM 731 CG ASN A 183 18.011 -12.596 -3.913 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.069 -12.142 -4.558 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.889 -13.644 -3.099 1.00 0.00 N ATOM 0 H ASN A 183 21.562 -11.169 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 183 20.606 -13.711 -4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.792 -11.772 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.324 -11.004 -4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.985 -14.104 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.700 -13.986 -2.583 1.00 0.00 H new ATOM 740 N HIS A 184 19.618 -12.568 -7.082 1.00 0.00 N ATOM 741 CA HIS A 184 19.098 -12.982 -8.369 1.00 0.00 C ATOM 742 C HIS A 184 19.984 -14.100 -8.917 1.00 0.00 C ATOM 743 O HIS A 184 19.488 -15.098 -9.437 1.00 0.00 O ATOM 744 CB HIS A 184 19.095 -11.782 -9.327 1.00 0.00 C ATOM 745 CG HIS A 184 18.376 -12.076 -10.618 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.088 -12.593 -10.663 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.744 -11.943 -11.933 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.771 -12.733 -11.966 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.741 -12.350 -12.792 1.00 0.00 N ATOM 0 H HIS A 184 19.897 -11.588 -7.037 1.00 0.00 H new ATOM 0 HA HIS A 184 18.076 -13.348 -8.266 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.622 -10.931 -8.837 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.123 -11.493 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.702 -11.566 -12.258 1.00 0.00 H new ATOM 0 HE1 HIS A 184 15.821 -13.119 -12.306 1.00 0.00 H new ATOM 0 HE2 HIS A 184 17.744 -12.355 -13.812 1.00 0.00 H new ATOM 757 N TRP A 185 21.306 -13.913 -8.791 1.00 0.00 N ATOM 758 CA TRP A 185 22.292 -14.860 -9.284 1.00 0.00 C ATOM 759 C TRP A 185 22.123 -16.239 -8.635 1.00 0.00 C ATOM 760 O TRP A 185 22.348 -17.255 -9.285 1.00 0.00 O ATOM 761 CB TRP A 185 23.698 -14.298 -9.032 1.00 0.00 C ATOM 762 CG TRP A 185 24.752 -14.816 -9.953 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.868 -15.463 -9.584 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.819 -14.731 -11.408 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.633 -15.791 -10.676 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.028 -15.358 -11.842 1.00 0.00 C ATOM 767 CE3 TRP A 185 23.987 -14.184 -12.413 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.385 -15.440 -13.187 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.346 -14.270 -13.775 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.541 -14.902 -14.156 1.00 0.00 C ATOM 0 H TRP A 185 21.714 -13.094 -8.341 1.00 0.00 H new ATOM 0 HA TRP A 185 22.145 -14.997 -10.355 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.661 -13.212 -9.119 1.00 0.00 H new ATOM 0 HB3 TRP A 185 23.987 -14.526 -8.006 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.130 -15.695 -8.562 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.524 -16.286 -10.633 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.066 -13.694 -12.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.310 -15.917 -13.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.698 -13.847 -14.529 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.806 -14.971 -15.201 1.00 0.00 H new ATOM 781 N ASN A 186 21.737 -16.270 -7.355 1.00 0.00 N ATOM 782 CA ASN A 186 21.581 -17.521 -6.619 1.00 0.00 C ATOM 783 C ASN A 186 20.162 -18.079 -6.764 1.00 0.00 C ATOM 784 O ASN A 186 19.969 -19.290 -6.710 1.00 0.00 O ATOM 785 CB ASN A 186 21.904 -17.261 -5.144 1.00 0.00 C ATOM 786 CG ASN A 186 21.943 -18.565 -4.351 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.981 -19.221 -4.286 1.00 0.00 O ATOM 788 ND2 ASN A 186 20.815 -18.939 -3.749 1.00 0.00 N ATOM 0 H ASN A 186 21.527 -15.435 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 186 22.265 -18.265 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.865 -16.754 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.155 -16.594 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 186 20.789 -19.802 -3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 186 19.978 -18.362 -3.831 1.00 0.00 H new ATOM 795 N SER A 187 19.174 -17.198 -6.928 1.00 0.00 N ATOM 796 CA SER A 187 17.776 -17.599 -6.990 1.00 0.00 C ATOM 797 C SER A 187 17.406 -18.185 -8.356 1.00 0.00 C ATOM 798 O SER A 187 16.687 -19.184 -8.414 1.00 0.00 O ATOM 799 CB SER A 187 16.902 -16.381 -6.680 1.00 0.00 C ATOM 800 OG SER A 187 15.541 -16.761 -6.671 1.00 0.00 O ATOM 0 H SER A 187 19.323 -16.193 -7.021 1.00 0.00 H new ATOM 0 HA SER A 187 17.607 -18.384 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.178 -15.960 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.067 -15.603 -7.426 1.00 0.00 H new ATOM 0 HG SER A 187 14.985 -15.980 -6.471 1.00 0.00 H new ATOM 806 N THR A 188 17.866 -17.560 -9.450 1.00 0.00 N ATOM 807 CA THR A 188 17.479 -17.986 -10.792 1.00 0.00 C ATOM 808 C THR A 188 18.608 -18.721 -11.506 1.00 0.00 C ATOM 809 O THR A 188 18.549 -19.938 -11.669 1.00 0.00 O ATOM 810 CB THR A 188 17.020 -16.762 -11.604 1.00 0.00 C ATOM 811 OG1 THR A 188 18.031 -15.774 -11.611 1.00 0.00 O ATOM 812 CG2 THR A 188 15.749 -16.180 -10.979 1.00 0.00 C ATOM 0 H THR A 188 18.502 -16.763 -9.427 1.00 0.00 H new ATOM 0 HA THR A 188 16.654 -18.692 -10.702 1.00 0.00 H new ATOM 0 HB THR A 188 16.818 -17.074 -12.629 1.00 0.00 H new ATOM 0 HG1 THR A 188 18.321 -15.596 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.425 -15.313 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 188 14.962 -16.934 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.954 -15.878 -9.952 1.00 0.00 H new ATOM 820 N MET A 189 19.612 -17.975 -11.946 1.00 0.00 N ATOM 821 CA MET A 189 20.720 -18.514 -12.715 1.00 0.00 C ATOM 822 C MET A 189 21.309 -19.763 -12.058 1.00 0.00 C ATOM 823 O MET A 189 21.218 -20.853 -12.621 1.00 0.00 O ATOM 824 CB MET A 189 21.770 -17.420 -12.863 1.00 0.00 C ATOM 825 CG MET A 189 21.213 -16.283 -13.733 1.00 0.00 C ATOM 826 SD MET A 189 20.706 -16.796 -15.396 1.00 0.00 S ATOM 827 CE MET A 189 22.328 -16.821 -16.195 1.00 0.00 C ATOM 0 H MET A 189 19.679 -16.971 -11.777 1.00 0.00 H new ATOM 0 HA MET A 189 20.365 -18.825 -13.698 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.050 -17.036 -11.882 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.673 -17.828 -13.316 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.357 -15.839 -13.226 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.970 -15.504 -13.821 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.215 -17.118 -17.238 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.773 -15.827 -16.147 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.975 -17.533 -15.683 1.00 0.00 H new