USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=9 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 187 SER OG : rot -75:sc= 0.995 USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 177 THR OG1 : rot -111:sc= 0.607 USER MOD Set 2.2: A 179 ASN :FLIP amide:sc=-0.00171 F(o=-0.56,f=0.6) USER MOD Single : A 148 THR OG1 : rot 115:sc= 0.189 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 1.01 K(o=1,f=-4.3!) USER MOD Single : A 159 HIS :FLIP no HE2:sc= -0.23 F(o=-1.3,f=-0.23) USER MOD Single : A 160 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0489) USER MOD Single : A 164 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.26) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.473 -10.963 -12.461 1.00 0.00 N ATOM 121 CA TRP A 147 14.002 -9.725 -13.014 1.00 0.00 C ATOM 122 C TRP A 147 13.659 -9.620 -14.494 1.00 0.00 C ATOM 123 O TRP A 147 13.168 -10.571 -15.100 1.00 0.00 O ATOM 124 CB TRP A 147 15.526 -9.709 -12.867 1.00 0.00 C ATOM 125 CG TRP A 147 16.061 -9.375 -11.513 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.411 -9.491 -10.342 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.379 -8.865 -11.175 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.213 -9.098 -9.297 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.453 -8.697 -9.757 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.531 -8.528 -11.922 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.596 -8.220 -9.121 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.690 -8.044 -11.283 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.717 -7.888 -9.888 1.00 0.00 C ATOM 0 HA TRP A 147 13.560 -8.887 -12.475 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.907 -10.690 -13.152 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.930 -8.991 -13.580 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.396 -9.845 -10.237 1.00 0.00 H new ATOM 0 HE1 TRP A 147 15.932 -9.102 -8.317 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.523 -8.643 -12.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.617 -8.108 -8.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.561 -7.792 -11.869 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.606 -7.510 -9.406 1.00 0.00 H new ATOM 144 N THR A 148 13.950 -8.454 -15.072 1.00 0.00 N ATOM 145 CA THR A 148 13.791 -8.222 -16.490 1.00 0.00 C ATOM 146 C THR A 148 15.074 -8.679 -17.177 1.00 0.00 C ATOM 147 O THR A 148 16.168 -8.467 -16.641 1.00 0.00 O ATOM 148 CB THR A 148 13.551 -6.729 -16.729 1.00 0.00 C ATOM 149 OG1 THR A 148 14.454 -5.982 -15.939 1.00 0.00 O ATOM 150 CG2 THR A 148 12.117 -6.367 -16.340 1.00 0.00 C ATOM 0 H THR A 148 14.304 -7.646 -14.559 1.00 0.00 H new ATOM 0 HA THR A 148 12.941 -8.774 -16.891 1.00 0.00 H new ATOM 0 HB THR A 148 13.705 -6.501 -17.784 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.069 -5.490 -16.522 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.951 -5.304 -16.512 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.419 -6.946 -16.945 1.00 0.00 H new ATOM 0 HG23 THR A 148 11.958 -6.593 -15.286 1.00 0.00 H new ATOM 158 N GLU A 149 14.964 -9.308 -18.352 1.00 0.00 N ATOM 159 CA GLU A 149 16.143 -9.783 -19.059 1.00 0.00 C ATOM 160 C GLU A 149 17.077 -8.607 -19.357 1.00 0.00 C ATOM 161 O GLU A 149 18.284 -8.788 -19.449 1.00 0.00 O ATOM 162 CB GLU A 149 15.739 -10.539 -20.333 1.00 0.00 C ATOM 163 CG GLU A 149 15.284 -9.576 -21.434 1.00 0.00 C ATOM 164 CD GLU A 149 14.944 -10.348 -22.704 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.887 -10.950 -23.270 1.00 0.00 O ATOM 166 OE2 GLU A 149 13.755 -10.327 -23.082 1.00 0.00 O ATOM 0 H GLU A 149 14.079 -9.495 -18.823 1.00 0.00 H new ATOM 0 HA GLU A 149 16.686 -10.488 -18.429 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.582 -11.130 -20.690 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.935 -11.238 -20.104 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.413 -9.014 -21.098 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.071 -8.851 -21.641 1.00 0.00 H new ATOM 173 N GLU A 150 16.513 -7.401 -19.496 1.00 0.00 N ATOM 174 CA GLU A 150 17.290 -6.198 -19.761 1.00 0.00 C ATOM 175 C GLU A 150 18.478 -6.103 -18.793 1.00 0.00 C ATOM 176 O GLU A 150 19.566 -5.699 -19.193 1.00 0.00 O ATOM 177 CB GLU A 150 16.384 -4.968 -19.620 1.00 0.00 C ATOM 178 CG GLU A 150 15.304 -4.971 -20.711 1.00 0.00 C ATOM 179 CD GLU A 150 15.919 -4.792 -22.095 1.00 0.00 C ATOM 180 OE1 GLU A 150 16.402 -3.671 -22.362 1.00 0.00 O ATOM 181 OE2 GLU A 150 15.897 -5.782 -22.859 1.00 0.00 O ATOM 0 H GLU A 150 15.508 -7.239 -19.427 1.00 0.00 H new ATOM 0 HA GLU A 150 17.683 -6.240 -20.777 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.916 -4.964 -18.636 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.981 -4.059 -19.692 1.00 0.00 H new ATOM 0 HG2 GLU A 150 14.749 -5.909 -20.675 1.00 0.00 H new ATOM 0 HG3 GLU A 150 14.589 -4.170 -20.521 1.00 0.00 H new ATOM 188 N GLU A 151 18.269 -6.479 -17.521 1.00 0.00 N ATOM 189 CA GLU A 151 19.324 -6.428 -16.518 1.00 0.00 C ATOM 190 C GLU A 151 20.106 -7.744 -16.490 1.00 0.00 C ATOM 191 O GLU A 151 21.330 -7.724 -16.462 1.00 0.00 O ATOM 192 CB GLU A 151 18.717 -6.142 -15.136 1.00 0.00 C ATOM 193 CG GLU A 151 18.509 -4.631 -14.946 1.00 0.00 C ATOM 194 CD GLU A 151 17.078 -4.222 -15.275 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.786 -4.087 -16.480 1.00 0.00 O ATOM 196 OE2 GLU A 151 16.306 -4.052 -14.310 1.00 0.00 O ATOM 0 H GLU A 151 17.374 -6.821 -17.171 1.00 0.00 H new ATOM 0 HA GLU A 151 20.014 -5.625 -16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.765 -6.662 -15.035 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.374 -6.526 -14.356 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.740 -4.357 -13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.202 -4.083 -15.585 1.00 0.00 H new ATOM 203 N ASP A 152 19.399 -8.885 -16.483 1.00 0.00 N ATOM 204 CA ASP A 152 20.041 -10.200 -16.397 1.00 0.00 C ATOM 205 C ASP A 152 21.081 -10.394 -17.509 1.00 0.00 C ATOM 206 O ASP A 152 22.184 -10.871 -17.248 1.00 0.00 O ATOM 207 CB ASP A 152 18.975 -11.292 -16.472 1.00 0.00 C ATOM 208 CG ASP A 152 19.612 -12.676 -16.402 1.00 0.00 C ATOM 209 OD1 ASP A 152 20.101 -13.023 -15.306 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.600 -13.359 -17.450 1.00 0.00 O ATOM 0 H ASP A 152 18.381 -8.920 -16.536 1.00 0.00 H new ATOM 0 HA ASP A 152 20.566 -10.264 -15.444 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.266 -11.171 -15.653 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.411 -11.193 -17.399 1.00 0.00 H new ATOM 215 N ARG A 153 20.727 -10.031 -18.747 1.00 0.00 N ATOM 216 CA ARG A 153 21.626 -10.186 -19.889 1.00 0.00 C ATOM 217 C ARG A 153 22.962 -9.498 -19.591 1.00 0.00 C ATOM 218 O ARG A 153 24.027 -10.069 -19.827 1.00 0.00 O ATOM 219 CB ARG A 153 20.980 -9.582 -21.145 1.00 0.00 C ATOM 220 CG ARG A 153 19.633 -10.261 -21.447 1.00 0.00 C ATOM 221 CD ARG A 153 19.806 -11.396 -22.456 1.00 0.00 C ATOM 222 NE ARG A 153 18.486 -11.843 -22.930 1.00 0.00 N ATOM 223 CZ ARG A 153 18.244 -13.066 -23.426 1.00 0.00 C ATOM 224 NH1 ARG A 153 19.236 -13.960 -23.559 1.00 0.00 N ATOM 225 NH2 ARG A 153 17.001 -13.387 -23.792 1.00 0.00 N ATOM 0 H ARG A 153 19.820 -9.627 -18.981 1.00 0.00 H new ATOM 0 HA ARG A 153 21.809 -11.246 -20.066 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.829 -8.512 -21.003 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.650 -9.699 -21.996 1.00 0.00 H new ATOM 0 HG2 ARG A 153 19.204 -10.652 -20.524 1.00 0.00 H new ATOM 0 HG3 ARG A 153 18.931 -9.525 -21.839 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.410 -11.058 -23.298 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.338 -12.228 -21.995 1.00 0.00 H new ATOM 0 HE ARG A 153 17.709 -11.184 -22.878 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.186 -13.713 -23.282 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.040 -14.887 -23.937 1.00 0.00 H new ATOM 0 HH21 ARG A 153 16.248 -12.706 -23.693 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.804 -14.313 -24.170 1.00 0.00 H new ATOM 239 N ILE A 154 22.897 -8.268 -19.066 1.00 0.00 N ATOM 240 CA ILE A 154 24.089 -7.504 -18.728 1.00 0.00 C ATOM 241 C ILE A 154 24.777 -8.142 -17.523 1.00 0.00 C ATOM 242 O ILE A 154 25.997 -8.237 -17.490 1.00 0.00 O ATOM 243 CB ILE A 154 23.690 -6.041 -18.442 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.741 -5.235 -19.745 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.656 -5.406 -17.433 1.00 0.00 C ATOM 246 CD1 ILE A 154 22.751 -5.795 -20.767 1.00 0.00 C ATOM 0 H ILE A 154 22.021 -7.784 -18.868 1.00 0.00 H new ATOM 0 HA ILE A 154 24.792 -7.510 -19.561 1.00 0.00 H new ATOM 0 HB ILE A 154 22.681 -6.032 -18.029 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.508 -4.190 -19.541 1.00 0.00 H new ATOM 0 HG13 ILE A 154 24.750 -5.263 -20.156 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.358 -4.375 -17.244 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.629 -5.968 -16.500 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.668 -5.423 -17.838 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.804 -5.208 -21.684 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.002 -6.833 -20.985 1.00 0.00 H new ATOM 0 HD13 ILE A 154 21.741 -5.744 -20.361 1.00 0.00 H new ATOM 258 N LEU A 155 23.986 -8.573 -16.540 1.00 0.00 N ATOM 259 CA LEU A 155 24.502 -9.198 -15.325 1.00 0.00 C ATOM 260 C LEU A 155 25.446 -10.349 -15.684 1.00 0.00 C ATOM 261 O LEU A 155 26.520 -10.469 -15.104 1.00 0.00 O ATOM 262 CB LEU A 155 23.312 -9.695 -14.478 1.00 0.00 C ATOM 263 CG LEU A 155 23.725 -9.977 -13.019 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.287 -8.708 -12.371 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.493 -10.440 -12.239 1.00 0.00 C ATOM 0 H LEU A 155 22.969 -8.498 -16.565 1.00 0.00 H new ATOM 0 HA LEU A 155 25.072 -8.473 -14.744 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.518 -8.948 -14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.904 -10.603 -14.922 1.00 0.00 H new ATOM 0 HG LEU A 155 24.494 -10.749 -13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.574 -8.922 -11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.160 -8.371 -12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.527 -7.927 -12.381 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.772 -10.643 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.733 -9.659 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.095 -11.348 -12.692 1.00 0.00 H new ATOM 277 N TYR A 156 25.039 -11.193 -16.643 1.00 0.00 N ATOM 278 CA TYR A 156 25.836 -12.339 -17.071 1.00 0.00 C ATOM 279 C TYR A 156 27.190 -11.892 -17.624 1.00 0.00 C ATOM 280 O TYR A 156 28.230 -12.367 -17.166 1.00 0.00 O ATOM 281 CB TYR A 156 25.048 -13.130 -18.123 1.00 0.00 C ATOM 282 CG TYR A 156 25.819 -14.295 -18.718 1.00 0.00 C ATOM 283 CD1 TYR A 156 25.796 -15.555 -18.090 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.557 -14.119 -19.904 1.00 0.00 C ATOM 285 CE1 TYR A 156 26.506 -16.632 -18.642 1.00 0.00 C ATOM 286 CE2 TYR A 156 27.267 -15.199 -20.457 1.00 0.00 C ATOM 287 CZ TYR A 156 27.242 -16.455 -19.826 1.00 0.00 C ATOM 288 OH TYR A 156 27.933 -17.503 -20.362 1.00 0.00 O ATOM 0 H TYR A 156 24.152 -11.097 -17.138 1.00 0.00 H new ATOM 0 HA TYR A 156 26.035 -12.979 -16.211 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.131 -13.507 -17.669 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.752 -12.454 -18.926 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.230 -15.693 -17.181 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.578 -13.154 -20.389 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.487 -17.597 -18.157 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.832 -15.064 -21.367 1.00 0.00 H new ATOM 0 HH TYR A 156 28.387 -17.211 -21.180 1.00 0.00 H new ATOM 298 N GLN A 157 27.183 -10.995 -18.612 1.00 0.00 N ATOM 299 CA GLN A 157 28.415 -10.526 -19.231 1.00 0.00 C ATOM 300 C GLN A 157 29.294 -9.824 -18.193 1.00 0.00 C ATOM 301 O GLN A 157 30.499 -10.070 -18.123 1.00 0.00 O ATOM 302 CB GLN A 157 28.070 -9.580 -20.385 1.00 0.00 C ATOM 303 CG GLN A 157 29.316 -9.327 -21.240 1.00 0.00 C ATOM 304 CD GLN A 157 29.025 -8.315 -22.339 1.00 0.00 C ATOM 305 OE1 GLN A 157 29.596 -7.228 -22.349 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.137 -8.671 -23.266 1.00 0.00 N ATOM 0 H GLN A 157 26.334 -10.581 -18.998 1.00 0.00 H new ATOM 0 HA GLN A 157 28.974 -11.375 -19.625 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.279 -10.013 -20.998 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.689 -8.637 -19.993 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.127 -8.962 -20.609 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.654 -10.264 -21.683 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.687 -9.585 -23.217 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.907 -8.029 -24.025 1.00 0.00 H new ATOM 315 N ALA A 158 28.683 -8.947 -17.392 1.00 0.00 N ATOM 316 CA ALA A 158 29.388 -8.189 -16.373 1.00 0.00 C ATOM 317 C ALA A 158 30.050 -9.125 -15.367 1.00 0.00 C ATOM 318 O ALA A 158 31.178 -8.881 -14.953 1.00 0.00 O ATOM 319 CB ALA A 158 28.401 -7.263 -15.664 1.00 0.00 C ATOM 0 H ALA A 158 27.684 -8.747 -17.438 1.00 0.00 H new ATOM 0 HA ALA A 158 30.170 -7.595 -16.846 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.925 -6.691 -14.898 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.959 -6.579 -16.389 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.614 -7.857 -15.199 1.00 0.00 H new ATOM 325 N HIS A 159 29.343 -10.194 -14.971 1.00 0.00 N ATOM 326 CA HIS A 159 29.856 -11.146 -13.996 1.00 0.00 C ATOM 327 C HIS A 159 31.238 -11.653 -14.406 1.00 0.00 C ATOM 328 O HIS A 159 32.052 -11.978 -13.551 1.00 0.00 O ATOM 329 CB HIS A 159 28.883 -12.315 -13.851 1.00 0.00 C ATOM 330 CG HIS A 159 29.205 -13.162 -12.653 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.321 -12.855 -11.326 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.468 -14.523 -12.733 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 29.647 -13.971 -10.568 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 29.722 -14.943 -11.478 1.00 0.00 N flip ATOM 0 H HIS A 159 28.410 -10.415 -15.318 1.00 0.00 H new ATOM 0 HA HIS A 159 29.953 -10.641 -13.035 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.866 -11.933 -13.763 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.916 -12.930 -14.751 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.185 -11.921 -10.940 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.469 -15.128 -13.628 1.00 0.00 H new ATOM 0 HE1 HIS A 159 29.802 -14.036 -9.501 1.00 0.00 H new ATOM 342 N LYS A 160 31.496 -11.727 -15.714 1.00 0.00 N ATOM 343 CA LYS A 160 32.779 -12.184 -16.216 1.00 0.00 C ATOM 344 C LYS A 160 33.719 -10.992 -16.407 1.00 0.00 C ATOM 345 O LYS A 160 34.849 -11.010 -15.927 1.00 0.00 O ATOM 346 CB LYS A 160 32.575 -12.924 -17.542 1.00 0.00 C ATOM 347 CG LYS A 160 31.613 -14.098 -17.348 1.00 0.00 C ATOM 348 CD LYS A 160 31.471 -14.859 -18.670 1.00 0.00 C ATOM 349 CE LYS A 160 30.340 -15.887 -18.567 1.00 0.00 C ATOM 350 NZ LYS A 160 30.658 -16.940 -17.585 1.00 0.00 N ATOM 0 H LYS A 160 30.826 -11.474 -16.441 1.00 0.00 H new ATOM 0 HA LYS A 160 33.229 -12.867 -15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.179 -12.239 -18.292 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.533 -13.287 -17.916 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.986 -14.764 -16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.640 -13.735 -17.018 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.265 -14.160 -19.481 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.408 -15.361 -18.912 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.416 -15.386 -18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.167 -16.339 -19.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.921 -17.674 -17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.578 -17.365 -17.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.699 -16.525 -16.632 1.00 0.00 H new ATOM 364 N ARG A 161 33.243 -9.960 -17.126 1.00 0.00 N ATOM 365 CA ARG A 161 34.043 -8.778 -17.434 1.00 0.00 C ATOM 366 C ARG A 161 34.580 -8.136 -16.150 1.00 0.00 C ATOM 367 O ARG A 161 35.791 -7.999 -15.987 1.00 0.00 O ATOM 368 CB ARG A 161 33.186 -7.781 -18.229 1.00 0.00 C ATOM 369 CG ARG A 161 34.093 -6.774 -18.949 1.00 0.00 C ATOM 370 CD ARG A 161 33.335 -5.464 -19.191 1.00 0.00 C ATOM 371 NE ARG A 161 32.086 -5.693 -19.931 1.00 0.00 N ATOM 372 CZ ARG A 161 31.089 -4.789 -19.985 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.202 -3.618 -19.342 1.00 0.00 N ATOM 374 NH2 ARG A 161 29.980 -5.057 -20.686 1.00 0.00 N ATOM 0 H ARG A 161 32.297 -9.929 -17.505 1.00 0.00 H new ATOM 0 HA ARG A 161 34.902 -9.072 -18.038 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.571 -8.314 -18.954 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.506 -7.257 -17.558 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.984 -6.583 -18.351 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.429 -7.190 -19.899 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.111 -4.990 -18.235 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.968 -4.774 -19.749 1.00 0.00 H new ATOM 0 HE ARG A 161 31.969 -6.577 -20.426 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.046 -3.408 -18.809 1.00 0.00 H new ATOM 0 HH12 ARG A 161 30.444 -2.937 -19.386 1.00 0.00 H new ATOM 0 HH21 ARG A 161 29.890 -5.946 -21.179 1.00 0.00 H new ATOM 0 HH22 ARG A 161 29.225 -4.373 -20.727 1.00 0.00 H new ATOM 388 N LEU A 162 33.678 -7.743 -15.243 1.00 0.00 N ATOM 389 CA LEU A 162 34.064 -7.120 -13.982 1.00 0.00 C ATOM 390 C LEU A 162 34.428 -8.199 -12.960 1.00 0.00 C ATOM 391 O LEU A 162 34.907 -7.882 -11.872 1.00 0.00 O ATOM 392 CB LEU A 162 32.896 -6.270 -13.440 1.00 0.00 C ATOM 393 CG LEU A 162 32.845 -4.875 -14.091 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.090 -4.059 -13.715 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.743 -4.995 -15.612 1.00 0.00 C ATOM 0 H LEU A 162 32.671 -7.849 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 162 34.929 -6.479 -14.153 1.00 0.00 H new ATOM 0 HB2 LEU A 162 31.955 -6.789 -13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 162 32.997 -6.162 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 162 31.960 -4.359 -13.718 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.036 -3.077 -14.184 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.135 -3.942 -12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.984 -4.578 -14.061 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.708 -3.999 -16.054 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.612 -5.531 -15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.836 -5.540 -15.874 1.00 0.00 H new ATOM 407 N GLY A 163 34.196 -9.471 -13.299 1.00 0.00 N ATOM 408 CA GLY A 163 34.459 -10.562 -12.385 1.00 0.00 C ATOM 409 C GLY A 163 33.375 -10.586 -11.314 1.00 0.00 C ATOM 410 O GLY A 163 32.292 -10.044 -11.514 1.00 0.00 O ATOM 0 H GLY A 163 33.826 -9.760 -14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.476 -11.509 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.440 -10.440 -11.925 1.00 0.00 H new ATOM 414 N ASN A 164 33.664 -11.208 -10.176 1.00 0.00 N ATOM 415 CA ASN A 164 32.704 -11.296 -9.084 1.00 0.00 C ATOM 416 C ASN A 164 32.769 -10.037 -8.205 1.00 0.00 C ATOM 417 O ASN A 164 32.378 -10.073 -7.037 1.00 0.00 O ATOM 418 CB ASN A 164 32.993 -12.565 -8.285 1.00 0.00 C ATOM 419 CG ASN A 164 34.362 -12.500 -7.610 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.347 -12.986 -8.156 1.00 0.00 O ATOM 421 ND2 ASN A 164 34.420 -11.898 -6.423 1.00 0.00 N ATOM 0 H ASN A 164 34.559 -11.660 -9.986 1.00 0.00 H new ATOM 0 HA ASN A 164 31.689 -11.351 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.220 -12.705 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.953 -13.430 -8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 164 35.310 -11.827 -5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.574 -11.508 -6.007 1.00 0.00 H new ATOM 428 N ARG A 165 33.255 -8.918 -8.775 1.00 0.00 N ATOM 429 CA ARG A 165 33.344 -7.652 -8.062 1.00 0.00 C ATOM 430 C ARG A 165 31.980 -6.968 -8.117 1.00 0.00 C ATOM 431 O ARG A 165 31.814 -5.948 -8.783 1.00 0.00 O ATOM 432 CB ARG A 165 34.430 -6.779 -8.702 1.00 0.00 C ATOM 433 CG ARG A 165 35.790 -7.482 -8.588 1.00 0.00 C ATOM 434 CD ARG A 165 36.859 -6.676 -9.334 1.00 0.00 C ATOM 435 NE ARG A 165 37.074 -5.362 -8.712 1.00 0.00 N ATOM 436 CZ ARG A 165 37.778 -5.180 -7.580 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.333 -6.227 -6.951 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.930 -3.948 -7.080 1.00 0.00 N ATOM 0 H ARG A 165 33.592 -8.877 -9.737 1.00 0.00 H new ATOM 0 HA ARG A 165 33.616 -7.815 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.192 -6.594 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.469 -5.808 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.068 -7.587 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.725 -8.488 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 165 37.796 -7.233 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.557 -6.543 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 165 36.667 -4.543 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.222 -7.167 -7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.866 -6.083 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.512 -3.149 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.463 -3.808 -6.222 1.00 0.00 H new ATOM 452 N TRP A 166 31.005 -7.554 -7.413 1.00 0.00 N ATOM 453 CA TRP A 166 29.631 -7.067 -7.383 1.00 0.00 C ATOM 454 C TRP A 166 29.565 -5.561 -7.112 1.00 0.00 C ATOM 455 O TRP A 166 28.722 -4.868 -7.683 1.00 0.00 O ATOM 456 CB TRP A 166 28.864 -7.852 -6.329 1.00 0.00 C ATOM 457 CG TRP A 166 28.699 -9.306 -6.650 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.173 -10.330 -5.921 1.00 0.00 C ATOM 459 CD2 TRP A 166 28.025 -9.924 -7.788 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.836 -11.536 -6.487 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.116 -11.346 -7.651 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.340 -9.437 -8.926 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.549 -12.226 -8.577 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.772 -10.324 -9.867 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.872 -11.714 -9.688 1.00 0.00 C ATOM 0 H TRP A 166 31.154 -8.387 -6.844 1.00 0.00 H new ATOM 0 HA TRP A 166 29.176 -7.221 -8.361 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.381 -7.758 -5.374 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.878 -7.404 -6.204 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.743 -10.220 -5.011 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.084 -12.447 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.250 -8.371 -9.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.633 -13.293 -8.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.257 -9.931 -10.731 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.427 -12.386 -10.407 1.00 0.00 H new ATOM 476 N ALA A 167 30.449 -5.054 -6.247 1.00 0.00 N ATOM 477 CA ALA A 167 30.480 -3.636 -5.916 1.00 0.00 C ATOM 478 C ALA A 167 30.646 -2.787 -7.184 1.00 0.00 C ATOM 479 O ALA A 167 30.025 -1.734 -7.310 1.00 0.00 O ATOM 480 CB ALA A 167 31.628 -3.373 -4.942 1.00 0.00 C ATOM 0 H ALA A 167 31.153 -5.612 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 167 29.536 -3.356 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.656 -2.313 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.476 -3.957 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.572 -3.661 -5.405 1.00 0.00 H new ATOM 486 N GLU A 168 31.492 -3.249 -8.115 1.00 0.00 N ATOM 487 CA GLU A 168 31.766 -2.527 -9.352 1.00 0.00 C ATOM 488 C GLU A 168 30.794 -2.944 -10.463 1.00 0.00 C ATOM 489 O GLU A 168 30.645 -2.225 -11.448 1.00 0.00 O ATOM 490 CB GLU A 168 33.214 -2.794 -9.772 1.00 0.00 C ATOM 491 CG GLU A 168 34.171 -2.158 -8.757 1.00 0.00 C ATOM 492 CD GLU A 168 35.623 -2.497 -9.073 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.838 -3.262 -10.038 1.00 0.00 O ATOM 494 OE2 GLU A 168 36.497 -1.992 -8.336 1.00 0.00 O ATOM 0 H GLU A 168 32.000 -4.129 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 168 31.625 -1.460 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.393 -3.867 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.396 -2.384 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.040 -1.076 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.924 -2.507 -7.754 1.00 0.00 H new ATOM 501 N ILE A 169 30.135 -4.098 -10.312 1.00 0.00 N ATOM 502 CA ILE A 169 29.193 -4.578 -11.315 1.00 0.00 C ATOM 503 C ILE A 169 27.994 -3.637 -11.401 1.00 0.00 C ATOM 504 O ILE A 169 27.578 -3.266 -12.500 1.00 0.00 O ATOM 505 CB ILE A 169 28.748 -6.007 -10.964 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.953 -6.968 -11.150 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.547 -6.408 -11.842 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.678 -8.052 -12.195 1.00 0.00 C ATOM 0 H ILE A 169 30.240 -4.712 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 169 29.679 -4.596 -12.291 1.00 0.00 H new ATOM 0 HB ILE A 169 28.424 -6.064 -9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.830 -6.393 -11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.190 -7.439 -10.196 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.235 -7.421 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.721 -5.719 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.835 -6.367 -12.893 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.551 -8.698 -12.288 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.818 -8.646 -11.885 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.468 -7.585 -13.157 1.00 0.00 H new ATOM 520 N ALA A 170 27.430 -3.249 -10.248 1.00 0.00 N ATOM 521 CA ALA A 170 26.258 -2.380 -10.222 1.00 0.00 C ATOM 522 C ALA A 170 26.654 -0.914 -10.415 1.00 0.00 C ATOM 523 O ALA A 170 26.127 -0.035 -9.737 1.00 0.00 O ATOM 524 CB ALA A 170 25.512 -2.572 -8.903 1.00 0.00 C ATOM 0 H ALA A 170 27.770 -3.525 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 170 25.600 -2.651 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.636 -1.923 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.196 -3.611 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.171 -2.319 -8.072 1.00 0.00 H new ATOM 530 N LYS A 171 27.573 -0.654 -11.350 1.00 0.00 N ATOM 531 CA LYS A 171 28.007 0.699 -11.655 1.00 0.00 C ATOM 532 C LYS A 171 27.124 1.279 -12.760 1.00 0.00 C ATOM 533 O LYS A 171 26.881 2.484 -12.789 1.00 0.00 O ATOM 534 CB LYS A 171 29.482 0.667 -12.081 1.00 0.00 C ATOM 535 CG LYS A 171 30.042 2.091 -12.227 1.00 0.00 C ATOM 536 CD LYS A 171 30.173 2.747 -10.848 1.00 0.00 C ATOM 537 CE LYS A 171 31.010 4.024 -10.962 1.00 0.00 C ATOM 538 NZ LYS A 171 31.154 4.680 -9.649 1.00 0.00 N ATOM 0 H LYS A 171 28.030 -1.374 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 171 27.913 1.336 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 171 30.066 0.116 -11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.580 0.135 -13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 171 31.015 2.059 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.384 2.686 -12.861 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.185 2.982 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.641 2.055 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.995 3.783 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.539 4.710 -11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.725 5.543 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.214 4.929 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.625 4.031 -8.986 1.00 0.00 H new ATOM 552 N LEU A 172 26.649 0.410 -13.672 1.00 0.00 N ATOM 553 CA LEU A 172 25.814 0.830 -14.794 1.00 0.00 C ATOM 554 C LEU A 172 24.430 0.161 -14.742 1.00 0.00 C ATOM 555 O LEU A 172 23.673 0.247 -15.708 1.00 0.00 O ATOM 556 CB LEU A 172 26.538 0.524 -16.126 1.00 0.00 C ATOM 557 CG LEU A 172 27.282 -0.828 -16.081 1.00 0.00 C ATOM 558 CD1 LEU A 172 26.300 -1.977 -15.836 1.00 0.00 C ATOM 559 CD2 LEU A 172 27.992 -1.051 -17.417 1.00 0.00 C ATOM 0 H LEU A 172 26.836 -0.592 -13.646 1.00 0.00 H new ATOM 0 HA LEU A 172 25.650 1.905 -14.725 1.00 0.00 H new ATOM 0 HB2 LEU A 172 25.812 0.512 -16.939 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.248 1.322 -16.345 1.00 0.00 H new ATOM 0 HG LEU A 172 28.005 -0.806 -15.266 1.00 0.00 H new ATOM 0 HD11 LEU A 172 26.844 -2.921 -15.808 1.00 0.00 H new ATOM 0 HD12 LEU A 172 25.790 -1.823 -14.885 1.00 0.00 H new ATOM 0 HD13 LEU A 172 25.565 -2.006 -16.641 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.520 -2.004 -17.394 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.257 -1.063 -18.222 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.705 -0.245 -17.589 1.00 0.00 H new ATOM 571 N LEU A 173 24.089 -0.494 -13.618 1.00 0.00 N ATOM 572 CA LEU A 173 22.783 -1.135 -13.466 1.00 0.00 C ATOM 573 C LEU A 173 21.826 -0.165 -12.764 1.00 0.00 C ATOM 574 O LEU A 173 22.270 0.652 -11.955 1.00 0.00 O ATOM 575 CB LEU A 173 22.923 -2.434 -12.657 1.00 0.00 C ATOM 576 CG LEU A 173 23.403 -3.581 -13.564 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.937 -4.725 -12.700 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.241 -4.102 -14.418 1.00 0.00 C ATOM 0 H LEU A 173 24.701 -0.590 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 173 22.382 -1.387 -14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.630 -2.287 -11.841 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.965 -2.694 -12.206 1.00 0.00 H new ATOM 0 HG LEU A 173 24.191 -3.207 -14.217 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.277 -5.538 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.771 -4.366 -12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 173 23.144 -5.087 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.593 -4.913 -15.055 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.448 -4.470 -13.767 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.855 -3.294 -15.039 1.00 0.00 H new ATOM 590 N PRO A 174 20.508 -0.247 -13.063 1.00 0.00 N ATOM 591 CA PRO A 174 19.509 0.604 -12.441 1.00 0.00 C ATOM 592 C PRO A 174 19.355 0.220 -10.966 1.00 0.00 C ATOM 593 O PRO A 174 18.455 -0.539 -10.603 1.00 0.00 O ATOM 594 CB PRO A 174 18.219 0.360 -13.235 1.00 0.00 C ATOM 595 CG PRO A 174 18.449 -0.915 -14.051 1.00 0.00 C ATOM 596 CD PRO A 174 19.954 -1.183 -14.023 1.00 0.00 C ATOM 0 HA PRO A 174 19.778 1.660 -12.459 1.00 0.00 H new ATOM 0 HB2 PRO A 174 17.367 0.244 -12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 174 17.999 1.205 -13.888 1.00 0.00 H new ATOM 0 HG2 PRO A 174 17.898 -1.753 -13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 174 18.096 -0.789 -15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.162 -2.212 -13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 174 20.395 -1.037 -15.009 1.00 0.00 H new ATOM 604 N GLY A 175 20.246 0.739 -10.120 1.00 0.00 N ATOM 605 CA GLY A 175 20.243 0.421 -8.705 1.00 0.00 C ATOM 606 C GLY A 175 20.867 -0.955 -8.509 1.00 0.00 C ATOM 607 O GLY A 175 22.072 -1.109 -8.683 1.00 0.00 O ATOM 0 H GLY A 175 20.982 1.387 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.803 1.172 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 175 19.224 0.432 -8.318 1.00 0.00 H new ATOM 611 N ARG A 176 20.037 -1.951 -8.155 1.00 0.00 N ATOM 612 CA ARG A 176 20.484 -3.329 -7.956 1.00 0.00 C ATOM 613 C ARG A 176 21.607 -3.386 -6.910 1.00 0.00 C ATOM 614 O ARG A 176 22.781 -3.250 -7.242 1.00 0.00 O ATOM 615 CB ARG A 176 20.955 -3.928 -9.297 1.00 0.00 C ATOM 616 CG ARG A 176 19.882 -3.760 -10.386 1.00 0.00 C ATOM 617 CD ARG A 176 18.560 -4.395 -9.942 1.00 0.00 C ATOM 618 NE ARG A 176 17.665 -4.605 -11.092 1.00 0.00 N ATOM 619 CZ ARG A 176 16.550 -5.356 -11.027 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.168 -5.897 -9.863 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.819 -5.564 -12.127 1.00 0.00 N ATOM 0 H ARG A 176 19.038 -1.817 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 176 19.647 -3.921 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.877 -3.440 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.182 -4.986 -9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.731 -2.701 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.221 -4.223 -11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.757 -5.348 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.072 -3.753 -9.209 1.00 0.00 H new ATOM 0 HE ARG A 176 17.901 -4.161 -11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.723 -5.740 -9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.322 -6.466 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.106 -5.154 -13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.974 -6.133 -12.078 1.00 0.00 H new ATOM 635 N THR A 177 21.242 -3.596 -5.640 1.00 0.00 N ATOM 636 CA THR A 177 22.219 -3.677 -4.560 1.00 0.00 C ATOM 637 C THR A 177 22.867 -5.072 -4.551 1.00 0.00 C ATOM 638 O THR A 177 22.268 -6.039 -5.019 1.00 0.00 O ATOM 639 CB THR A 177 21.539 -3.346 -3.218 1.00 0.00 C ATOM 640 OG1 THR A 177 22.484 -3.435 -2.174 1.00 0.00 O ATOM 641 CG2 THR A 177 20.386 -4.315 -2.941 1.00 0.00 C ATOM 0 H THR A 177 20.274 -3.712 -5.340 1.00 0.00 H new ATOM 0 HA THR A 177 23.012 -2.946 -4.717 1.00 0.00 H new ATOM 0 HB THR A 177 21.140 -2.333 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.270 -4.203 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.920 -4.063 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 177 19.647 -4.238 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.770 -5.334 -2.899 1.00 0.00 H new ATOM 649 N ASP A 178 24.100 -5.155 -4.027 1.00 0.00 N ATOM 650 CA ASP A 178 24.880 -6.397 -3.990 1.00 0.00 C ATOM 651 C ASP A 178 24.045 -7.579 -3.487 1.00 0.00 C ATOM 652 O ASP A 178 23.898 -8.576 -4.192 1.00 0.00 O ATOM 653 CB ASP A 178 26.108 -6.181 -3.093 1.00 0.00 C ATOM 654 CG ASP A 178 26.751 -7.507 -2.694 1.00 0.00 C ATOM 655 OD1 ASP A 178 27.619 -7.973 -3.457 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.360 -8.033 -1.626 1.00 0.00 O ATOM 0 H ASP A 178 24.584 -4.357 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 178 25.197 -6.643 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.838 -5.565 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.814 -5.634 -2.197 1.00 0.00 H new ATOM 661 N ASN A 179 23.513 -7.473 -2.265 1.00 0.00 N ATOM 662 CA ASN A 179 22.743 -8.553 -1.652 1.00 0.00 C ATOM 663 C ASN A 179 21.637 -9.046 -2.593 1.00 0.00 C ATOM 664 O ASN A 179 21.421 -10.252 -2.712 1.00 0.00 O ATOM 665 CB ASN A 179 22.157 -8.076 -0.316 1.00 0.00 C ATOM 666 CG ASN A 179 21.378 -6.773 -0.477 1.00 0.00 C ATOM 667 OD1 ASN A 179 22.055 -5.641 -0.276 1.00 0.00 O flip ATOM 668 ND2 ASN A 179 20.187 -6.791 -0.775 1.00 0.00 N flip ATOM 0 H ASN A 179 23.604 -6.643 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 179 23.409 -9.395 -1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.500 -8.846 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.962 -7.933 0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.711 -7.681 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.674 -5.916 -0.879 1.00 0.00 H new ATOM 675 N ALA A 180 20.938 -8.122 -3.255 1.00 0.00 N ATOM 676 CA ALA A 180 19.849 -8.471 -4.154 1.00 0.00 C ATOM 677 C ALA A 180 20.392 -9.136 -5.416 1.00 0.00 C ATOM 678 O ALA A 180 19.810 -10.099 -5.904 1.00 0.00 O ATOM 679 CB ALA A 180 19.062 -7.214 -4.510 1.00 0.00 C ATOM 0 H ALA A 180 21.113 -7.120 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 180 19.186 -9.179 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.246 -7.474 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.655 -6.770 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.722 -6.498 -5.000 1.00 0.00 H new ATOM 685 N ILE A 181 21.504 -8.618 -5.948 1.00 0.00 N ATOM 686 CA ILE A 181 22.109 -9.162 -7.153 1.00 0.00 C ATOM 687 C ILE A 181 22.513 -10.603 -6.930 1.00 0.00 C ATOM 688 O ILE A 181 22.247 -11.443 -7.765 1.00 0.00 O ATOM 689 CB ILE A 181 23.322 -8.320 -7.548 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.840 -7.058 -8.240 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.214 -9.110 -8.504 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.881 -5.951 -8.083 1.00 0.00 C ATOM 0 H ILE A 181 22.000 -7.818 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 181 21.381 -9.131 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 181 23.893 -8.064 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.664 -7.257 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.889 -6.739 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.076 -8.504 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.554 -10.022 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.649 -9.368 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.530 -5.048 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.035 -5.744 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.822 -6.270 -8.531 1.00 0.00 H new ATOM 704 N LYS A 182 23.159 -10.882 -5.807 1.00 0.00 N ATOM 705 CA LYS A 182 23.594 -12.229 -5.493 1.00 0.00 C ATOM 706 C LYS A 182 22.403 -13.105 -5.205 1.00 0.00 C ATOM 707 O LYS A 182 22.354 -14.244 -5.663 1.00 0.00 O ATOM 708 CB LYS A 182 24.502 -12.183 -4.291 1.00 0.00 C ATOM 709 CG LYS A 182 25.890 -11.767 -4.739 1.00 0.00 C ATOM 710 CD LYS A 182 26.493 -10.833 -3.692 1.00 0.00 C ATOM 711 CE LYS A 182 26.429 -11.483 -2.301 1.00 0.00 C ATOM 712 NZ LYS A 182 27.090 -10.629 -1.300 1.00 0.00 N ATOM 0 H LYS A 182 23.393 -10.188 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 182 24.132 -12.646 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.117 -11.478 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.539 -13.160 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.522 -12.645 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.839 -11.266 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.528 -10.607 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.953 -9.886 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.389 -11.647 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.910 -12.461 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.935 -11.024 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.111 -10.590 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.692 -9.669 -1.345 1.00 0.00 H new ATOM 726 N ASN A 183 21.433 -12.584 -4.446 1.00 0.00 N ATOM 727 CA ASN A 183 20.248 -13.345 -4.139 1.00 0.00 C ATOM 728 C ASN A 183 19.623 -13.795 -5.459 1.00 0.00 C ATOM 729 O ASN A 183 19.228 -14.949 -5.607 1.00 0.00 O ATOM 730 CB ASN A 183 19.267 -12.490 -3.332 1.00 0.00 C ATOM 731 CG ASN A 183 17.933 -13.210 -3.163 1.00 0.00 C ATOM 732 OD1 ASN A 183 16.978 -12.931 -3.883 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.868 -14.140 -2.209 1.00 0.00 N ATOM 0 H ASN A 183 21.457 -11.647 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 183 20.498 -14.216 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.692 -12.267 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.109 -11.536 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.000 -14.652 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.687 -14.339 -1.634 1.00 0.00 H new ATOM 740 N HIS A 184 19.563 -12.861 -6.417 1.00 0.00 N ATOM 741 CA HIS A 184 19.039 -13.124 -7.741 1.00 0.00 C ATOM 742 C HIS A 184 19.937 -14.123 -8.475 1.00 0.00 C ATOM 743 O HIS A 184 19.448 -15.093 -9.046 1.00 0.00 O ATOM 744 CB HIS A 184 18.981 -11.803 -8.531 1.00 0.00 C ATOM 745 CG HIS A 184 18.439 -12.005 -9.919 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.117 -12.342 -10.170 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.028 -11.945 -11.156 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.995 -12.461 -11.506 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.128 -12.230 -12.168 1.00 0.00 N ATOM 0 H HIS A 184 19.881 -11.901 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 184 18.039 -13.549 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.355 -11.088 -7.997 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.980 -11.371 -8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.068 -11.705 -11.320 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.067 -12.719 -11.994 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.292 -12.257 -13.174 1.00 0.00 H new ATOM 757 N TRP A 185 21.252 -13.861 -8.462 1.00 0.00 N ATOM 758 CA TRP A 185 22.224 -14.669 -9.182 1.00 0.00 C ATOM 759 C TRP A 185 22.218 -16.117 -8.689 1.00 0.00 C ATOM 760 O TRP A 185 22.551 -17.029 -9.448 1.00 0.00 O ATOM 761 CB TRP A 185 23.624 -14.045 -9.062 1.00 0.00 C ATOM 762 CG TRP A 185 24.575 -14.504 -10.116 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.740 -15.143 -9.913 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.448 -14.375 -11.557 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.351 -15.434 -11.110 1.00 0.00 N ATOM 766 CE2 TRP A 185 25.586 -14.982 -12.172 1.00 0.00 C ATOM 767 CE3 TRP A 185 23.480 -13.807 -12.417 1.00 0.00 C ATOM 768 CZ2 TRP A 185 25.744 -15.033 -13.558 1.00 0.00 C ATOM 769 CZ3 TRP A 185 23.637 -13.855 -13.813 1.00 0.00 C ATOM 770 CH2 TRP A 185 24.761 -14.473 -14.381 1.00 0.00 C ATOM 0 H TRP A 185 21.663 -13.081 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 185 21.943 -14.686 -10.235 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.535 -12.960 -9.113 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.037 -14.285 -8.082 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.141 -15.394 -8.942 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.245 -15.916 -11.203 1.00 0.00 H new ATOM 0 HE3 TRP A 185 22.608 -13.330 -11.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 26.616 -15.500 -13.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 22.887 -13.413 -14.453 1.00 0.00 H new ATOM 0 HH2 TRP A 185 24.868 -14.517 -15.455 1.00 0.00 H new ATOM 781 N ASN A 186 21.849 -16.332 -7.424 1.00 0.00 N ATOM 782 CA ASN A 186 21.832 -17.661 -6.837 1.00 0.00 C ATOM 783 C ASN A 186 20.467 -18.334 -7.025 1.00 0.00 C ATOM 784 O ASN A 186 20.386 -19.406 -7.623 1.00 0.00 O ATOM 785 CB ASN A 186 22.177 -17.552 -5.350 1.00 0.00 C ATOM 786 CG ASN A 186 22.142 -18.924 -4.683 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.982 -19.774 -4.965 1.00 0.00 O ATOM 788 ND2 ASN A 186 21.169 -19.139 -3.798 1.00 0.00 N ATOM 0 H ASN A 186 21.557 -15.591 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 186 22.573 -18.281 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.167 -17.111 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.471 -16.885 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 186 21.101 -20.039 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.493 -18.403 -3.595 1.00 0.00 H new ATOM 795 N SER A 187 19.401 -17.719 -6.496 1.00 0.00 N ATOM 796 CA SER A 187 18.069 -18.316 -6.514 1.00 0.00 C ATOM 797 C SER A 187 17.444 -18.302 -7.911 1.00 0.00 C ATOM 798 O SER A 187 16.882 -19.311 -8.343 1.00 0.00 O ATOM 799 CB SER A 187 17.165 -17.571 -5.523 1.00 0.00 C ATOM 800 OG SER A 187 16.841 -16.290 -6.028 1.00 0.00 O ATOM 0 H SER A 187 19.441 -16.803 -6.049 1.00 0.00 H new ATOM 0 HA SER A 187 18.167 -19.361 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.254 -18.143 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.669 -17.474 -4.561 1.00 0.00 H new ATOM 0 HG SER A 187 17.616 -15.697 -5.938 1.00 0.00 H new ATOM 806 N THR A 188 17.512 -17.161 -8.601 1.00 0.00 N ATOM 807 CA THR A 188 16.856 -16.996 -9.892 1.00 0.00 C ATOM 808 C THR A 188 17.886 -16.911 -11.016 1.00 0.00 C ATOM 809 O THR A 188 17.967 -15.901 -11.714 1.00 0.00 O ATOM 810 CB THR A 188 15.981 -15.735 -9.831 1.00 0.00 C ATOM 811 OG1 THR A 188 15.250 -15.730 -8.617 1.00 0.00 O ATOM 812 CG2 THR A 188 15.001 -15.719 -11.006 1.00 0.00 C ATOM 0 H THR A 188 18.019 -16.336 -8.281 1.00 0.00 H new ATOM 0 HA THR A 188 16.228 -17.860 -10.106 1.00 0.00 H new ATOM 0 HB THR A 188 16.621 -14.854 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 188 14.692 -14.926 -8.574 1.00 0.00 H new ATOM 0 HG21 THR A 188 14.385 -14.821 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 188 15.557 -15.724 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 188 14.362 -16.601 -10.959 1.00 0.00 H new ATOM 820 N MET A 189 18.668 -17.985 -11.197 1.00 0.00 N ATOM 821 CA MET A 189 19.659 -18.051 -12.264 1.00 0.00 C ATOM 822 C MET A 189 20.334 -19.422 -12.271 1.00 0.00 C ATOM 823 O MET A 189 20.548 -19.998 -13.337 1.00 0.00 O ATOM 824 CB MET A 189 20.706 -16.935 -12.098 1.00 0.00 C ATOM 825 CG MET A 189 20.831 -16.155 -13.411 1.00 0.00 C ATOM 826 SD MET A 189 21.598 -17.098 -14.755 1.00 0.00 S ATOM 827 CE MET A 189 21.370 -15.918 -16.108 1.00 0.00 C ATOM 0 H MET A 189 18.628 -18.820 -10.612 1.00 0.00 H new ATOM 0 HA MET A 189 19.154 -17.906 -13.219 1.00 0.00 H new ATOM 0 HB2 MET A 189 20.414 -16.264 -11.290 1.00 0.00 H new ATOM 0 HB3 MET A 189 21.670 -17.363 -11.824 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.839 -15.833 -13.727 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.417 -15.254 -13.232 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.786 -16.332 -17.026 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.306 -15.724 -16.247 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.880 -14.985 -15.867 1.00 0.00 H new