USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=10 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 HE2:sc= -0.323 X(o=-0.32,f=-0.23) USER MOD Set 1.2: A 189 MET CE :methyl -178:sc= 0 (180deg=-0.00212) USER MOD Set 2.1: A 177 THR OG1 : rot 128:sc= 0.435 USER MOD Set 2.2: A 179 ASN :FLIP amide:sc= -0.309 F(o=-0.98,f=0.13) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 159 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= 1.47 K(o=1.5,f=-10!) USER MOD Single : A 171 LYS NZ :NH3+ -179:sc= 0.75 (180deg=0.723) USER MOD Single : A 182 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.16) USER MOD Single : A 183 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.1!) USER MOD Single : A 186 ASN : amide:sc= 0.703 K(o=0.7,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 ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.968 -9.545 -12.518 1.00 0.00 N ATOM 121 CA TRP A 147 14.016 -9.018 -13.377 1.00 0.00 C ATOM 122 C TRP A 147 13.617 -9.158 -14.846 1.00 0.00 C ATOM 123 O TRP A 147 12.716 -9.930 -15.177 1.00 0.00 O ATOM 124 CB TRP A 147 15.317 -9.774 -13.102 1.00 0.00 C ATOM 125 CG TRP A 147 16.002 -9.403 -11.823 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.479 -9.507 -10.588 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.343 -8.864 -11.629 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.372 -9.075 -9.638 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.552 -8.660 -10.228 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.413 -8.524 -12.491 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.745 -8.146 -9.717 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.618 -8.004 -11.977 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.781 -7.814 -10.594 1.00 0.00 C ATOM 0 HA TRP A 147 14.163 -7.959 -13.164 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.103 -10.843 -13.086 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.004 -9.599 -13.930 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.489 -9.880 -10.372 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.190 -9.062 -8.634 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.305 -8.665 -13.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.866 -8.006 -8.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.422 -7.750 -12.651 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.706 -7.412 -10.209 1.00 0.00 H new ATOM 144 N THR A 148 14.297 -8.403 -15.720 1.00 0.00 N ATOM 145 CA THR A 148 14.031 -8.431 -17.155 1.00 0.00 C ATOM 146 C THR A 148 15.192 -9.119 -17.879 1.00 0.00 C ATOM 147 O THR A 148 16.312 -9.145 -17.376 1.00 0.00 O ATOM 148 CB THR A 148 13.845 -6.991 -17.653 1.00 0.00 C ATOM 149 OG1 THR A 148 12.962 -6.307 -16.789 1.00 0.00 O ATOM 150 CG2 THR A 148 13.263 -6.990 -19.070 1.00 0.00 C ATOM 0 H THR A 148 15.042 -7.761 -15.449 1.00 0.00 H new ATOM 0 HA THR A 148 13.121 -8.995 -17.361 1.00 0.00 H new ATOM 0 HB THR A 148 14.815 -6.494 -17.665 1.00 0.00 H new ATOM 0 HG1 THR A 148 12.843 -5.387 -17.104 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.136 -5.962 -19.411 1.00 0.00 H new ATOM 0 HG22 THR A 148 13.942 -7.514 -19.743 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.296 -7.493 -19.066 1.00 0.00 H new ATOM 158 N GLU A 149 14.915 -9.680 -19.069 1.00 0.00 N ATOM 159 CA GLU A 149 15.927 -10.368 -19.861 1.00 0.00 C ATOM 160 C GLU A 149 17.176 -9.503 -20.019 1.00 0.00 C ATOM 161 O GLU A 149 18.288 -9.985 -19.824 1.00 0.00 O ATOM 162 CB GLU A 149 15.354 -10.708 -21.243 1.00 0.00 C ATOM 163 CG GLU A 149 14.538 -12.004 -21.179 1.00 0.00 C ATOM 164 CD GLU A 149 14.671 -12.787 -22.480 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.824 -13.164 -22.798 1.00 0.00 O ATOM 166 OE2 GLU A 149 13.626 -12.995 -23.130 1.00 0.00 O ATOM 0 H GLU A 149 13.990 -9.665 -19.498 1.00 0.00 H new ATOM 0 HA GLU A 149 16.208 -11.285 -19.343 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.724 -9.891 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.165 -10.816 -21.963 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.881 -12.615 -20.344 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.489 -11.771 -20.994 1.00 0.00 H new ATOM 173 N GLU A 150 16.987 -8.229 -20.377 1.00 0.00 N ATOM 174 CA GLU A 150 18.097 -7.310 -20.579 1.00 0.00 C ATOM 175 C GLU A 150 18.965 -7.244 -19.325 1.00 0.00 C ATOM 176 O GLU A 150 20.187 -7.328 -19.413 1.00 0.00 O ATOM 177 CB GLU A 150 17.552 -5.920 -20.932 1.00 0.00 C ATOM 178 CG GLU A 150 16.764 -5.976 -22.247 1.00 0.00 C ATOM 179 CD GLU A 150 17.641 -6.470 -23.392 1.00 0.00 C ATOM 180 OE1 GLU A 150 18.528 -5.692 -23.805 1.00 0.00 O ATOM 181 OE2 GLU A 150 17.409 -7.618 -23.833 1.00 0.00 O ATOM 0 H GLU A 150 16.068 -7.815 -20.532 1.00 0.00 H new ATOM 0 HA GLU A 150 18.716 -7.668 -21.402 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.908 -5.560 -20.129 1.00 0.00 H new ATOM 0 HB3 GLU A 150 18.375 -5.211 -21.023 1.00 0.00 H new ATOM 0 HG2 GLU A 150 15.905 -6.637 -22.132 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.375 -4.986 -22.484 1.00 0.00 H new ATOM 188 N GLU A 151 18.329 -7.096 -18.157 1.00 0.00 N ATOM 189 CA GLU A 151 19.046 -7.012 -16.894 1.00 0.00 C ATOM 190 C GLU A 151 19.874 -8.280 -16.687 1.00 0.00 C ATOM 191 O GLU A 151 21.057 -8.196 -16.373 1.00 0.00 O ATOM 192 CB GLU A 151 18.051 -6.830 -15.743 1.00 0.00 C ATOM 193 CG GLU A 151 17.248 -5.536 -15.929 1.00 0.00 C ATOM 194 CD GLU A 151 16.202 -5.389 -14.830 1.00 0.00 C ATOM 195 OE1 GLU A 151 15.949 -6.399 -14.139 1.00 0.00 O ATOM 196 OE2 GLU A 151 15.672 -4.268 -14.694 1.00 0.00 O ATOM 0 H GLU A 151 17.315 -7.032 -18.068 1.00 0.00 H new ATOM 0 HA GLU A 151 19.717 -6.153 -16.915 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.374 -7.683 -15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.585 -6.801 -14.793 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.921 -4.679 -15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.760 -5.542 -16.904 1.00 0.00 H new ATOM 203 N ASP A 152 19.249 -9.451 -16.866 1.00 0.00 N ATOM 204 CA ASP A 152 19.928 -10.733 -16.701 1.00 0.00 C ATOM 205 C ASP A 152 21.136 -10.815 -17.636 1.00 0.00 C ATOM 206 O ASP A 152 22.211 -11.248 -17.228 1.00 0.00 O ATOM 207 CB ASP A 152 18.946 -11.874 -17.004 1.00 0.00 C ATOM 208 CG ASP A 152 17.919 -12.046 -15.889 1.00 0.00 C ATOM 209 OD1 ASP A 152 17.607 -11.030 -15.234 1.00 0.00 O ATOM 210 OD2 ASP A 152 17.462 -13.196 -15.716 1.00 0.00 O ATOM 0 H ASP A 152 18.266 -9.532 -17.127 1.00 0.00 H new ATOM 0 HA ASP A 152 20.279 -10.824 -15.673 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.432 -11.672 -17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.499 -12.804 -17.136 1.00 0.00 H new ATOM 215 N ARG A 153 20.949 -10.402 -18.894 1.00 0.00 N ATOM 216 CA ARG A 153 22.010 -10.438 -19.892 1.00 0.00 C ATOM 217 C ARG A 153 23.177 -9.561 -19.438 1.00 0.00 C ATOM 218 O ARG A 153 24.317 -10.023 -19.384 1.00 0.00 O ATOM 219 CB ARG A 153 21.449 -9.956 -21.244 1.00 0.00 C ATOM 220 CG ARG A 153 21.781 -10.954 -22.368 1.00 0.00 C ATOM 221 CD ARG A 153 21.236 -12.363 -22.054 1.00 0.00 C ATOM 222 NE ARG A 153 20.005 -12.319 -21.243 1.00 0.00 N ATOM 223 CZ ARG A 153 18.773 -12.545 -21.737 1.00 0.00 C ATOM 224 NH1 ARG A 153 18.535 -12.469 -23.051 1.00 0.00 N ATOM 225 NH2 ARG A 153 17.773 -12.850 -20.909 1.00 0.00 N ATOM 0 H ARG A 153 20.063 -10.037 -19.242 1.00 0.00 H new ATOM 0 HA ARG A 153 22.378 -11.457 -20.009 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.369 -9.833 -21.170 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.865 -8.978 -21.487 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.356 -10.600 -23.307 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.861 -11.003 -22.505 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.035 -12.889 -22.987 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.998 -12.935 -21.524 1.00 0.00 H new ATOM 0 HE ARG A 153 20.092 -12.105 -20.250 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.292 -12.237 -23.694 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.596 -12.643 -23.410 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.943 -12.911 -19.905 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.838 -13.022 -21.280 1.00 0.00 H new ATOM 239 N ILE A 154 22.887 -8.299 -19.106 1.00 0.00 N ATOM 240 CA ILE A 154 23.904 -7.358 -18.655 1.00 0.00 C ATOM 241 C ILE A 154 24.596 -7.902 -17.402 1.00 0.00 C ATOM 242 O ILE A 154 25.809 -7.771 -17.258 1.00 0.00 O ATOM 243 CB ILE A 154 23.243 -5.996 -18.373 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.757 -5.376 -19.693 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.255 -5.052 -17.706 1.00 0.00 C ATOM 246 CD1 ILE A 154 21.664 -4.339 -19.413 1.00 0.00 C ATOM 0 H ILE A 154 21.946 -7.908 -19.144 1.00 0.00 H new ATOM 0 HA ILE A 154 24.660 -7.227 -19.429 1.00 0.00 H new ATOM 0 HB ILE A 154 22.394 -6.143 -17.705 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.592 -4.906 -20.213 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.371 -6.155 -20.350 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.781 -4.090 -17.509 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.595 -5.488 -16.767 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.108 -4.907 -18.368 1.00 0.00 H new ATOM 0 HD11 ILE A 154 21.325 -3.904 -20.353 1.00 0.00 H new ATOM 0 HD12 ILE A 154 20.824 -4.821 -18.913 1.00 0.00 H new ATOM 0 HD13 ILE A 154 22.064 -3.552 -18.773 1.00 0.00 H new ATOM 258 N LEU A 155 23.820 -8.507 -16.498 1.00 0.00 N ATOM 259 CA LEU A 155 24.348 -9.051 -15.257 1.00 0.00 C ATOM 260 C LEU A 155 25.366 -10.152 -15.554 1.00 0.00 C ATOM 261 O LEU A 155 26.461 -10.149 -14.997 1.00 0.00 O ATOM 262 CB LEU A 155 23.183 -9.587 -14.409 1.00 0.00 C ATOM 263 CG LEU A 155 23.657 -9.952 -12.995 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.169 -8.701 -12.279 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.483 -10.538 -12.210 1.00 0.00 C ATOM 0 H LEU A 155 22.814 -8.630 -16.611 1.00 0.00 H new ATOM 0 HA LEU A 155 24.861 -8.268 -14.698 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.395 -8.836 -14.350 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.751 -10.465 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 155 24.463 -10.683 -13.061 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.504 -8.967 -11.276 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.002 -8.277 -12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.366 -7.967 -12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.812 -10.800 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.682 -9.801 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.117 -11.431 -12.716 1.00 0.00 H new ATOM 277 N TYR A 156 25.006 -11.093 -16.436 1.00 0.00 N ATOM 278 CA TYR A 156 25.893 -12.190 -16.796 1.00 0.00 C ATOM 279 C TYR A 156 27.149 -11.642 -17.471 1.00 0.00 C ATOM 280 O TYR A 156 28.262 -12.041 -17.130 1.00 0.00 O ATOM 281 CB TYR A 156 25.148 -13.168 -17.719 1.00 0.00 C ATOM 282 CG TYR A 156 25.560 -14.617 -17.542 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.886 -15.013 -17.796 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.612 -15.570 -17.121 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.264 -16.355 -17.625 1.00 0.00 C ATOM 286 CE2 TYR A 156 24.993 -16.911 -16.949 1.00 0.00 C ATOM 287 CZ TYR A 156 26.319 -17.304 -17.199 1.00 0.00 C ATOM 288 OH TYR A 156 26.688 -18.606 -17.034 1.00 0.00 O ATOM 0 H TYR A 156 24.103 -11.110 -16.911 1.00 0.00 H new ATOM 0 HA TYR A 156 26.200 -12.727 -15.899 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.077 -13.080 -17.536 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.319 -12.876 -18.755 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.614 -14.285 -18.123 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.592 -15.270 -16.930 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.282 -16.658 -17.821 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.266 -17.641 -16.624 1.00 0.00 H new ATOM 0 HH TYR A 156 25.916 -19.130 -16.735 1.00 0.00 H new ATOM 298 N GLN A 157 26.974 -10.723 -18.426 1.00 0.00 N ATOM 299 CA GLN A 157 28.092 -10.117 -19.133 1.00 0.00 C ATOM 300 C GLN A 157 29.048 -9.468 -18.132 1.00 0.00 C ATOM 301 O GLN A 157 30.261 -9.664 -18.212 1.00 0.00 O ATOM 302 CB GLN A 157 27.560 -9.079 -20.124 1.00 0.00 C ATOM 303 CG GLN A 157 26.886 -9.783 -21.307 1.00 0.00 C ATOM 304 CD GLN A 157 26.016 -8.811 -22.099 1.00 0.00 C ATOM 305 OE1 GLN A 157 24.814 -9.016 -22.231 1.00 0.00 O ATOM 306 NE2 GLN A 157 26.628 -7.750 -22.625 1.00 0.00 N ATOM 0 H GLN A 157 26.059 -10.385 -18.724 1.00 0.00 H new ATOM 0 HA GLN A 157 28.639 -10.882 -19.683 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.847 -8.421 -19.627 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.377 -8.452 -20.481 1.00 0.00 H new ATOM 0 HG2 GLN A 157 27.646 -10.212 -21.960 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.275 -10.609 -20.943 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.631 -7.620 -22.489 1.00 0.00 H new ATOM 0 HE22 GLN A 157 26.094 -7.068 -23.163 1.00 0.00 H new ATOM 315 N ALA A 158 28.495 -8.699 -17.186 1.00 0.00 N ATOM 316 CA ALA A 158 29.287 -8.029 -16.168 1.00 0.00 C ATOM 317 C ALA A 158 30.018 -9.056 -15.309 1.00 0.00 C ATOM 318 O ALA A 158 31.194 -8.885 -15.009 1.00 0.00 O ATOM 319 CB ALA A 158 28.371 -7.170 -15.296 1.00 0.00 C ATOM 0 H ALA A 158 27.492 -8.529 -17.111 1.00 0.00 H new ATOM 0 HA ALA A 158 30.028 -7.391 -16.650 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.963 -6.667 -14.532 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.871 -6.426 -15.916 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.625 -7.804 -14.817 1.00 0.00 H new ATOM 325 N HIS A 159 29.311 -10.120 -14.913 1.00 0.00 N ATOM 326 CA HIS A 159 29.883 -11.156 -14.068 1.00 0.00 C ATOM 327 C HIS A 159 31.161 -11.728 -14.682 1.00 0.00 C ATOM 328 O HIS A 159 32.039 -12.184 -13.957 1.00 0.00 O ATOM 329 CB HIS A 159 28.855 -12.266 -13.852 1.00 0.00 C ATOM 330 CG HIS A 159 29.275 -13.210 -12.764 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.530 -14.556 -12.985 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.508 -13.020 -11.431 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.885 -15.084 -11.796 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.892 -14.194 -10.802 1.00 0.00 N ATOM 0 H HIS A 159 28.337 -10.280 -15.170 1.00 0.00 H new ATOM 0 HA HIS A 159 30.146 -10.713 -13.107 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.891 -11.825 -13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.717 -12.820 -14.781 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.405 -12.070 -10.928 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.139 -16.125 -11.662 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.123 -14.341 -9.820 1.00 0.00 H new ATOM 342 N LYS A 160 31.265 -11.709 -16.017 1.00 0.00 N ATOM 343 CA LYS A 160 32.437 -12.228 -16.704 1.00 0.00 C ATOM 344 C LYS A 160 33.476 -11.122 -16.894 1.00 0.00 C ATOM 345 O LYS A 160 34.642 -11.303 -16.553 1.00 0.00 O ATOM 346 CB LYS A 160 32.018 -12.804 -18.061 1.00 0.00 C ATOM 347 CG LYS A 160 31.064 -13.985 -17.854 1.00 0.00 C ATOM 348 CD LYS A 160 30.870 -14.745 -19.172 1.00 0.00 C ATOM 349 CE LYS A 160 30.151 -13.856 -20.193 1.00 0.00 C ATOM 350 NZ LYS A 160 29.787 -14.624 -21.398 1.00 0.00 N ATOM 0 H LYS A 160 30.546 -11.337 -16.637 1.00 0.00 H new ATOM 0 HA LYS A 160 32.886 -13.018 -16.101 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.532 -12.033 -18.659 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.898 -13.129 -18.615 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.464 -14.656 -17.094 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.102 -13.626 -17.488 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.837 -15.056 -19.567 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.291 -15.651 -18.996 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.254 -13.432 -19.743 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.794 -13.021 -20.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.302 -14.000 -22.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.648 -15.008 -21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.155 -15.406 -21.133 1.00 0.00 H new ATOM 364 N ARG A 161 33.049 -9.979 -17.449 1.00 0.00 N ATOM 365 CA ARG A 161 33.946 -8.867 -17.734 1.00 0.00 C ATOM 366 C ARG A 161 34.523 -8.285 -16.441 1.00 0.00 C ATOM 367 O ARG A 161 35.738 -8.264 -16.261 1.00 0.00 O ATOM 368 CB ARG A 161 33.186 -7.798 -18.528 1.00 0.00 C ATOM 369 CG ARG A 161 34.161 -6.722 -19.020 1.00 0.00 C ATOM 370 CD ARG A 161 33.397 -5.634 -19.778 1.00 0.00 C ATOM 371 NE ARG A 161 32.869 -6.148 -21.048 1.00 0.00 N ATOM 372 CZ ARG A 161 32.174 -5.389 -21.915 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.914 -4.106 -21.629 1.00 0.00 N ATOM 374 NH2 ARG A 161 31.742 -5.919 -23.067 1.00 0.00 N ATOM 0 H ARG A 161 32.078 -9.807 -17.709 1.00 0.00 H new ATOM 0 HA ARG A 161 34.785 -9.226 -18.331 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.677 -8.256 -19.377 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.417 -7.345 -17.902 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.690 -6.284 -18.174 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.913 -7.170 -19.669 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.577 -5.265 -19.162 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.057 -4.788 -19.970 1.00 0.00 H new ATOM 0 HE ARG A 161 33.037 -7.126 -21.284 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.243 -3.702 -20.752 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.387 -3.533 -22.288 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.940 -6.896 -23.285 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.215 -5.346 -23.726 1.00 0.00 H new ATOM 388 N LEU A 162 33.652 -7.807 -15.545 1.00 0.00 N ATOM 389 CA LEU A 162 34.084 -7.210 -14.286 1.00 0.00 C ATOM 390 C LEU A 162 34.482 -8.308 -13.297 1.00 0.00 C ATOM 391 O LEU A 162 35.251 -8.056 -12.370 1.00 0.00 O ATOM 392 CB LEU A 162 32.947 -6.353 -13.695 1.00 0.00 C ATOM 393 CG LEU A 162 32.915 -4.938 -14.312 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.145 -4.133 -13.869 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.869 -5.011 -15.840 1.00 0.00 C ATOM 0 H LEU A 162 32.640 -7.824 -15.674 1.00 0.00 H new ATOM 0 HA LEU A 162 34.948 -6.572 -14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 162 31.991 -6.847 -13.869 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.074 -6.276 -12.615 1.00 0.00 H new ATOM 0 HG LEU A 162 32.014 -4.437 -13.959 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.108 -3.138 -14.312 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.151 -4.046 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.051 -4.643 -14.197 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.847 -4.002 -16.252 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.753 -5.533 -16.206 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.974 -5.550 -16.152 1.00 0.00 H new ATOM 407 N GLY A 163 33.953 -9.523 -13.492 1.00 0.00 N ATOM 408 CA GLY A 163 34.242 -10.643 -12.613 1.00 0.00 C ATOM 409 C GLY A 163 33.159 -10.746 -11.545 1.00 0.00 C ATOM 410 O GLY A 163 32.132 -10.077 -11.630 1.00 0.00 O ATOM 0 H GLY A 163 33.319 -9.747 -14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.289 -11.568 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.217 -10.509 -12.145 1.00 0.00 H new ATOM 414 N ASN A 164 33.393 -11.583 -10.530 1.00 0.00 N ATOM 415 CA ASN A 164 32.439 -11.770 -9.442 1.00 0.00 C ATOM 416 C ASN A 164 32.611 -10.686 -8.374 1.00 0.00 C ATOM 417 O ASN A 164 32.198 -10.870 -7.230 1.00 0.00 O ATOM 418 CB ASN A 164 32.633 -13.166 -8.849 1.00 0.00 C ATOM 419 CG ASN A 164 33.978 -13.275 -8.137 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.027 -13.260 -8.780 1.00 0.00 O ATOM 421 ND2 ASN A 164 33.950 -13.383 -6.808 1.00 0.00 N ATOM 0 H ASN A 164 34.241 -12.143 -10.443 1.00 0.00 H new ATOM 0 HA ASN A 164 31.423 -11.682 -9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 164 31.827 -13.382 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.575 -13.913 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 164 34.822 -13.457 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.057 -13.391 -6.316 1.00 0.00 H new ATOM 428 N ARG A 165 33.214 -9.548 -8.751 1.00 0.00 N ATOM 429 CA ARG A 165 33.402 -8.432 -7.843 1.00 0.00 C ATOM 430 C ARG A 165 32.146 -7.572 -7.885 1.00 0.00 C ATOM 431 O ARG A 165 32.065 -6.629 -8.667 1.00 0.00 O ATOM 432 CB ARG A 165 34.638 -7.618 -8.259 1.00 0.00 C ATOM 433 CG ARG A 165 35.919 -8.430 -8.009 1.00 0.00 C ATOM 434 CD ARG A 165 36.257 -9.297 -9.234 1.00 0.00 C ATOM 435 NE ARG A 165 36.401 -10.712 -8.860 1.00 0.00 N ATOM 436 CZ ARG A 165 37.478 -11.202 -8.220 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.473 -10.385 -7.847 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.553 -12.511 -7.958 1.00 0.00 N ATOM 0 H ARG A 165 33.579 -9.387 -9.690 1.00 0.00 H new ATOM 0 HA ARG A 165 33.567 -8.790 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.568 -7.351 -9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.674 -6.685 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.748 -7.755 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.789 -9.064 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.472 -9.194 -9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.181 -8.943 -9.690 1.00 0.00 H new ATOM 0 HE ARG A 165 35.646 -11.355 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.416 -9.387 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.287 -10.762 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.796 -13.132 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.367 -12.888 -7.473 1.00 0.00 H new ATOM 452 N TRP A 166 31.162 -7.909 -7.045 1.00 0.00 N ATOM 453 CA TRP A 166 29.881 -7.211 -7.007 1.00 0.00 C ATOM 454 C TRP A 166 30.003 -5.839 -6.326 1.00 0.00 C ATOM 455 O TRP A 166 29.096 -5.430 -5.602 1.00 0.00 O ATOM 456 CB TRP A 166 28.876 -8.081 -6.252 1.00 0.00 C ATOM 457 CG TRP A 166 28.738 -9.485 -6.756 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.211 -10.587 -6.149 1.00 0.00 C ATOM 459 CD2 TRP A 166 28.070 -9.968 -7.959 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.875 -11.719 -6.847 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.155 -11.396 -7.981 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.393 -9.353 -9.035 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.582 -12.164 -8.994 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.822 -10.129 -10.067 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.906 -11.528 -10.038 1.00 0.00 C ATOM 0 H TRP A 166 31.235 -8.674 -6.374 1.00 0.00 H new ATOM 0 HA TRP A 166 29.545 -7.038 -8.029 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.168 -8.116 -5.202 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.899 -7.599 -6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.781 -10.582 -5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.123 -12.668 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.311 -8.277 -9.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.660 -13.241 -8.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.316 -9.640 -10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.449 -12.113 -10.822 1.00 0.00 H new ATOM 476 N ALA A 167 31.113 -5.131 -6.554 1.00 0.00 N ATOM 477 CA ALA A 167 31.331 -3.826 -5.959 1.00 0.00 C ATOM 478 C ALA A 167 30.809 -2.724 -6.883 1.00 0.00 C ATOM 479 O ALA A 167 29.822 -2.064 -6.565 1.00 0.00 O ATOM 480 CB ALA A 167 32.825 -3.645 -5.681 1.00 0.00 C ATOM 0 H ALA A 167 31.875 -5.450 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 167 30.784 -3.757 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.996 -2.666 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 167 33.164 -4.421 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 167 33.381 -3.719 -6.616 1.00 0.00 H new ATOM 486 N GLU A 168 31.487 -2.523 -8.022 1.00 0.00 N ATOM 487 CA GLU A 168 31.140 -1.461 -8.960 1.00 0.00 C ATOM 488 C GLU A 168 30.131 -1.927 -10.011 1.00 0.00 C ATOM 489 O GLU A 168 29.651 -1.116 -10.788 1.00 0.00 O ATOM 490 CB GLU A 168 32.426 -0.957 -9.632 1.00 0.00 C ATOM 491 CG GLU A 168 32.925 -1.959 -10.687 1.00 0.00 C ATOM 492 CD GLU A 168 32.466 -1.557 -12.088 1.00 0.00 C ATOM 493 OE1 GLU A 168 32.982 -0.531 -12.584 1.00 0.00 O ATOM 494 OE2 GLU A 168 31.609 -2.278 -12.638 1.00 0.00 O ATOM 0 H GLU A 168 32.284 -3.090 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 168 30.663 -0.652 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.241 0.009 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.198 -0.802 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.013 -2.010 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.553 -2.956 -10.451 1.00 0.00 H new ATOM 501 N ILE A 169 29.818 -3.227 -10.047 1.00 0.00 N ATOM 502 CA ILE A 169 28.916 -3.777 -11.056 1.00 0.00 C ATOM 503 C ILE A 169 27.552 -3.070 -11.037 1.00 0.00 C ATOM 504 O ILE A 169 26.906 -2.961 -12.078 1.00 0.00 O ATOM 505 CB ILE A 169 28.787 -5.294 -10.839 1.00 0.00 C ATOM 506 CG1 ILE A 169 30.128 -5.948 -11.215 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.664 -5.860 -11.720 1.00 0.00 C ATOM 508 CD1 ILE A 169 30.076 -7.460 -10.988 1.00 0.00 C ATOM 0 H ILE A 169 30.178 -3.916 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 169 29.332 -3.601 -12.048 1.00 0.00 H new ATOM 0 HB ILE A 169 28.544 -5.503 -9.797 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.359 -5.740 -12.260 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.930 -5.513 -10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.581 -6.935 -11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.720 -5.380 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.892 -5.667 -12.768 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.034 -7.902 -11.260 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.868 -7.663 -9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.288 -7.894 -11.604 1.00 0.00 H new ATOM 520 N ALA A 170 27.110 -2.578 -9.868 1.00 0.00 N ATOM 521 CA ALA A 170 25.828 -1.880 -9.773 1.00 0.00 C ATOM 522 C ALA A 170 25.845 -0.595 -10.611 1.00 0.00 C ATOM 523 O ALA A 170 24.795 -0.044 -10.907 1.00 0.00 O ATOM 524 CB ALA A 170 25.503 -1.565 -8.321 1.00 0.00 C ATOM 0 H ALA A 170 27.619 -2.652 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 170 25.051 -2.534 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.546 -1.046 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.445 -2.493 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.284 -0.931 -7.903 1.00 0.00 H new ATOM 530 N LYS A 171 27.033 -0.121 -11.006 1.00 0.00 N ATOM 531 CA LYS A 171 27.143 1.049 -11.864 1.00 0.00 C ATOM 532 C LYS A 171 26.435 0.752 -13.188 1.00 0.00 C ATOM 533 O LYS A 171 25.860 1.648 -13.805 1.00 0.00 O ATOM 534 CB LYS A 171 28.625 1.376 -12.083 1.00 0.00 C ATOM 535 CG LYS A 171 28.783 2.474 -13.141 1.00 0.00 C ATOM 536 CD LYS A 171 30.150 3.167 -12.994 1.00 0.00 C ATOM 537 CE LYS A 171 31.278 2.137 -12.804 1.00 0.00 C ATOM 538 NZ LYS A 171 31.296 1.131 -13.881 1.00 0.00 N ATOM 0 H LYS A 171 27.927 -0.535 -10.741 1.00 0.00 H new ATOM 0 HA LYS A 171 26.670 1.916 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.074 1.700 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.158 0.479 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.692 2.043 -14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 171 27.983 3.207 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.351 3.772 -13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.127 3.846 -12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.238 2.652 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.154 1.637 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.060 0.447 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.384 0.632 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.457 1.603 -14.794 1.00 0.00 H new ATOM 552 N LEU A 172 26.474 -0.519 -13.611 1.00 0.00 N ATOM 553 CA LEU A 172 25.817 -0.959 -14.828 1.00 0.00 C ATOM 554 C LEU A 172 24.332 -1.204 -14.541 1.00 0.00 C ATOM 555 O LEU A 172 23.496 -1.028 -15.425 1.00 0.00 O ATOM 556 CB LEU A 172 26.484 -2.245 -15.339 1.00 0.00 C ATOM 557 CG LEU A 172 28.007 -2.054 -15.473 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.643 -3.375 -15.912 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.315 -0.973 -16.515 1.00 0.00 C ATOM 0 H LEU A 172 26.964 -1.262 -13.113 1.00 0.00 H new ATOM 0 HA LEU A 172 25.908 -0.191 -15.596 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.275 -3.066 -14.653 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.061 -2.521 -16.305 1.00 0.00 H new ATOM 0 HG LEU A 172 28.414 -1.746 -14.510 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.721 -3.245 -16.008 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.435 -4.144 -15.168 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.227 -3.678 -16.873 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.394 -0.847 -16.601 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.907 -1.272 -17.481 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.863 -0.030 -16.206 1.00 0.00 H new ATOM 571 N LEU A 173 24.013 -1.611 -13.297 1.00 0.00 N ATOM 572 CA LEU A 173 22.640 -1.884 -12.885 1.00 0.00 C ATOM 573 C LEU A 173 22.321 -1.128 -11.591 1.00 0.00 C ATOM 574 O LEU A 173 22.343 -1.718 -10.510 1.00 0.00 O ATOM 575 CB LEU A 173 22.462 -3.397 -12.686 1.00 0.00 C ATOM 576 CG LEU A 173 22.573 -4.134 -14.035 1.00 0.00 C ATOM 577 CD1 LEU A 173 22.823 -5.619 -13.778 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.276 -3.969 -14.834 1.00 0.00 C ATOM 0 H LEU A 173 24.703 -1.756 -12.560 1.00 0.00 H new ATOM 0 HA LEU A 173 21.951 -1.544 -13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.219 -3.771 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.491 -3.599 -12.233 1.00 0.00 H new ATOM 0 HG LEU A 173 23.399 -3.711 -14.607 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.902 -6.145 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.750 -5.740 -13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.995 -6.033 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.365 -4.494 -15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.444 -4.386 -14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.095 -2.910 -15.019 1.00 0.00 H new ATOM 590 N PRO A 174 22.024 0.189 -11.694 1.00 0.00 N ATOM 591 CA PRO A 174 21.713 1.014 -10.542 1.00 0.00 C ATOM 592 C PRO A 174 20.469 0.493 -9.824 1.00 0.00 C ATOM 593 O PRO A 174 19.661 -0.227 -10.412 1.00 0.00 O ATOM 594 CB PRO A 174 21.494 2.430 -11.083 1.00 0.00 C ATOM 595 CG PRO A 174 21.672 2.361 -12.605 1.00 0.00 C ATOM 596 CD PRO A 174 21.991 0.907 -12.950 1.00 0.00 C ATOM 0 HA PRO A 174 22.518 0.998 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.498 2.791 -10.827 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.208 3.126 -10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 174 20.766 2.689 -13.115 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.477 3.020 -12.930 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.235 0.491 -13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 174 22.948 0.831 -13.467 1.00 0.00 H new ATOM 604 N GLY A 175 20.321 0.858 -8.544 1.00 0.00 N ATOM 605 CA GLY A 175 19.190 0.420 -7.740 1.00 0.00 C ATOM 606 C GLY A 175 19.451 -0.980 -7.189 1.00 0.00 C ATOM 607 O GLY A 175 19.298 -1.218 -5.993 1.00 0.00 O ATOM 0 H GLY A 175 20.979 1.459 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.025 1.118 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.283 0.419 -8.344 1.00 0.00 H new ATOM 611 N ARG A 176 19.852 -1.904 -8.071 1.00 0.00 N ATOM 612 CA ARG A 176 20.147 -3.269 -7.681 1.00 0.00 C ATOM 613 C ARG A 176 21.476 -3.286 -6.922 1.00 0.00 C ATOM 614 O ARG A 176 22.539 -3.199 -7.533 1.00 0.00 O ATOM 615 CB ARG A 176 20.220 -4.173 -8.929 1.00 0.00 C ATOM 616 CG ARG A 176 19.024 -3.935 -9.871 1.00 0.00 C ATOM 617 CD ARG A 176 17.723 -4.441 -9.235 1.00 0.00 C ATOM 618 NE ARG A 176 16.559 -4.062 -10.052 1.00 0.00 N ATOM 619 CZ ARG A 176 16.273 -4.618 -11.246 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.976 -5.665 -11.696 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.278 -4.118 -11.988 1.00 0.00 N ATOM 0 H ARG A 176 19.977 -1.718 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 176 19.357 -3.651 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.150 -3.981 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.239 -5.218 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.936 -2.872 -10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.194 -4.446 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.762 -5.525 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.619 -4.028 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 176 15.934 -3.339 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.736 -6.049 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.752 -6.079 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 176 14.740 -3.320 -11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.057 -4.535 -12.892 1.00 0.00 H new ATOM 635 N THR A 177 21.414 -3.395 -5.591 1.00 0.00 N ATOM 636 CA THR A 177 22.613 -3.419 -4.766 1.00 0.00 C ATOM 637 C THR A 177 23.232 -4.815 -4.807 1.00 0.00 C ATOM 638 O THR A 177 22.616 -5.753 -5.315 1.00 0.00 O ATOM 639 CB THR A 177 22.254 -3.016 -3.331 1.00 0.00 C ATOM 640 OG1 THR A 177 21.083 -3.692 -2.921 1.00 0.00 O ATOM 641 CG2 THR A 177 22.017 -1.504 -3.263 1.00 0.00 C ATOM 0 H THR A 177 20.542 -3.468 -5.067 1.00 0.00 H new ATOM 0 HA THR A 177 23.345 -2.708 -5.150 1.00 0.00 H new ATOM 0 HB THR A 177 23.078 -3.286 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 177 21.249 -4.146 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 177 21.762 -1.221 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 177 22.922 -0.980 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 177 21.198 -1.234 -3.929 1.00 0.00 H new ATOM 649 N ASP A 178 24.459 -4.950 -4.281 1.00 0.00 N ATOM 650 CA ASP A 178 25.176 -6.219 -4.297 1.00 0.00 C ATOM 651 C ASP A 178 24.293 -7.341 -3.737 1.00 0.00 C ATOM 652 O ASP A 178 24.142 -8.378 -4.369 1.00 0.00 O ATOM 653 CB ASP A 178 26.490 -6.089 -3.504 1.00 0.00 C ATOM 654 CG ASP A 178 26.277 -6.298 -2.009 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.623 -5.421 -1.400 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.764 -7.338 -1.505 1.00 0.00 O ATOM 0 H ASP A 178 24.971 -4.187 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 178 25.424 -6.477 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.210 -6.819 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.920 -5.102 -3.675 1.00 0.00 H new ATOM 661 N ASN A 179 23.715 -7.129 -2.550 1.00 0.00 N ATOM 662 CA ASN A 179 22.882 -8.129 -1.898 1.00 0.00 C ATOM 663 C ASN A 179 21.761 -8.589 -2.832 1.00 0.00 C ATOM 664 O ASN A 179 21.556 -9.784 -2.994 1.00 0.00 O ATOM 665 CB ASN A 179 22.318 -7.564 -0.585 1.00 0.00 C ATOM 666 CG ASN A 179 21.584 -6.246 -0.807 1.00 0.00 C ATOM 667 OD1 ASN A 179 22.321 -5.135 -0.776 1.00 0.00 O flip ATOM 668 ND2 ASN A 179 20.373 -6.234 -1.005 1.00 0.00 N flip ATOM 0 H ASN A 179 23.814 -6.262 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 179 23.492 -9.001 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.637 -8.289 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.131 -7.413 0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.850 -7.110 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.889 -5.348 -1.155 1.00 0.00 H new ATOM 675 N ALA A 180 21.041 -7.645 -3.445 1.00 0.00 N ATOM 676 CA ALA A 180 19.946 -7.976 -4.346 1.00 0.00 C ATOM 677 C ALA A 180 20.468 -8.746 -5.558 1.00 0.00 C ATOM 678 O ALA A 180 19.871 -9.739 -5.972 1.00 0.00 O ATOM 679 CB ALA A 180 19.252 -6.687 -4.786 1.00 0.00 C ATOM 0 H ALA A 180 21.202 -6.644 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 180 19.228 -8.612 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.431 -6.928 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.862 -6.167 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.968 -6.046 -5.300 1.00 0.00 H new ATOM 685 N ILE A 181 21.585 -8.284 -6.126 1.00 0.00 N ATOM 686 CA ILE A 181 22.182 -8.910 -7.296 1.00 0.00 C ATOM 687 C ILE A 181 22.569 -10.344 -6.995 1.00 0.00 C ATOM 688 O ILE A 181 22.280 -11.229 -7.776 1.00 0.00 O ATOM 689 CB ILE A 181 23.410 -8.109 -7.721 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.952 -6.899 -8.516 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.320 -8.978 -8.586 1.00 0.00 C ATOM 692 CD1 ILE A 181 24.026 -5.810 -8.470 1.00 0.00 C ATOM 0 H ILE A 181 22.095 -7.469 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 181 21.454 -8.920 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 181 23.964 -7.786 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.755 -7.185 -9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.016 -6.517 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.195 -8.402 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.639 -9.851 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.777 -9.303 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.691 -4.945 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.201 -5.515 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.951 -6.193 -8.900 1.00 0.00 H new ATOM 704 N LYS A 182 23.230 -10.565 -5.872 1.00 0.00 N ATOM 705 CA LYS A 182 23.664 -11.890 -5.483 1.00 0.00 C ATOM 706 C LYS A 182 22.472 -12.744 -5.139 1.00 0.00 C ATOM 707 O LYS A 182 22.449 -13.923 -5.469 1.00 0.00 O ATOM 708 CB LYS A 182 24.570 -11.767 -4.284 1.00 0.00 C ATOM 709 CG LYS A 182 25.975 -11.421 -4.753 1.00 0.00 C ATOM 710 CD LYS A 182 26.614 -10.429 -3.771 1.00 0.00 C ATOM 711 CE LYS A 182 26.456 -10.933 -2.325 1.00 0.00 C ATOM 712 NZ LYS A 182 27.149 -10.035 -1.380 1.00 0.00 N ATOM 0 H LYS A 182 23.479 -9.832 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 182 24.200 -12.360 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.198 -10.995 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.581 -12.702 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.581 -12.325 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.940 -10.988 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.671 -10.303 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.146 -9.450 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.398 -10.992 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.861 -11.941 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.722 -10.128 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.155 -10.292 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.059 -9.052 -1.706 1.00 0.00 H new ATOM 726 N ASN A 183 21.477 -12.159 -4.475 1.00 0.00 N ATOM 727 CA ASN A 183 20.290 -12.898 -4.123 1.00 0.00 C ATOM 728 C ASN A 183 19.647 -13.403 -5.415 1.00 0.00 C ATOM 729 O ASN A 183 19.123 -14.510 -5.461 1.00 0.00 O ATOM 730 CB ASN A 183 19.320 -12.005 -3.338 1.00 0.00 C ATOM 731 CG ASN A 183 19.803 -11.769 -1.907 1.00 0.00 C ATOM 732 OD1 ASN A 183 20.752 -12.403 -1.452 1.00 0.00 O ATOM 733 ND2 ASN A 183 19.144 -10.855 -1.196 1.00 0.00 N ATOM 0 H ASN A 183 21.478 -11.184 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 183 20.544 -13.744 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.212 -11.048 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.334 -12.468 -3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.422 -10.659 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.361 -10.351 -1.613 1.00 0.00 H new ATOM 740 N HIS A 184 19.709 -12.575 -6.470 1.00 0.00 N ATOM 741 CA HIS A 184 19.180 -12.923 -7.776 1.00 0.00 C ATOM 742 C HIS A 184 20.084 -13.963 -8.451 1.00 0.00 C ATOM 743 O HIS A 184 19.604 -14.972 -8.969 1.00 0.00 O ATOM 744 CB HIS A 184 19.110 -11.654 -8.644 1.00 0.00 C ATOM 745 CG HIS A 184 18.504 -11.923 -9.994 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.242 -12.484 -10.159 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.973 -11.731 -11.267 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.038 -12.592 -11.486 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.058 -12.150 -12.219 1.00 0.00 N ATOM 0 H HIS A 184 20.130 -11.647 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 184 18.183 -13.348 -7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.522 -10.895 -8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.113 -11.248 -8.772 1.00 0.00 H new ATOM 0 HD1 HIS A 184 16.597 -12.760 -9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.938 -11.305 -11.500 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.134 -12.998 -11.914 1.00 0.00 H new ATOM 757 N TRP A 185 21.395 -13.693 -8.451 1.00 0.00 N ATOM 758 CA TRP A 185 22.375 -14.528 -9.121 1.00 0.00 C ATOM 759 C TRP A 185 22.393 -15.935 -8.538 1.00 0.00 C ATOM 760 O TRP A 185 22.180 -16.910 -9.251 1.00 0.00 O ATOM 761 CB TRP A 185 23.761 -13.882 -9.020 1.00 0.00 C ATOM 762 CG TRP A 185 24.788 -14.529 -9.893 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.753 -15.373 -9.487 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.957 -14.413 -11.333 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.511 -15.799 -10.552 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.059 -15.233 -11.731 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.290 -13.701 -12.355 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.465 -15.340 -13.064 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.701 -13.806 -13.699 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.786 -14.626 -14.047 1.00 0.00 C ATOM 0 H TRP A 185 21.799 -12.883 -7.981 1.00 0.00 H new ATOM 0 HA TRP A 185 22.097 -14.612 -10.172 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.682 -12.828 -9.286 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.098 -13.924 -7.984 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.911 -15.675 -8.462 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.298 -16.444 -10.483 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.453 -13.067 -12.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.300 -15.972 -13.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.178 -13.253 -14.465 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.094 -14.703 -15.079 1.00 0.00 H new ATOM 781 N ASN A 186 22.661 -16.040 -7.243 1.00 0.00 N ATOM 782 CA ASN A 186 22.777 -17.325 -6.582 1.00 0.00 C ATOM 783 C ASN A 186 21.445 -18.087 -6.570 1.00 0.00 C ATOM 784 O ASN A 186 21.416 -19.251 -6.172 1.00 0.00 O ATOM 785 CB ASN A 186 23.294 -17.108 -5.159 1.00 0.00 C ATOM 786 CG ASN A 186 24.740 -16.625 -5.183 1.00 0.00 C ATOM 787 OD1 ASN A 186 25.660 -17.428 -5.327 1.00 0.00 O ATOM 788 ND2 ASN A 186 24.938 -15.316 -5.047 1.00 0.00 N ATOM 0 H ASN A 186 22.803 -15.239 -6.628 1.00 0.00 H new ATOM 0 HA ASN A 186 23.483 -17.940 -7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.669 -16.377 -4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.225 -18.038 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 186 25.886 -14.940 -5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.142 -14.689 -4.930 1.00 0.00 H new ATOM 795 N SER A 187 20.346 -17.449 -7.003 1.00 0.00 N ATOM 796 CA SER A 187 19.044 -18.097 -7.020 1.00 0.00 C ATOM 797 C SER A 187 18.808 -18.809 -8.354 1.00 0.00 C ATOM 798 O SER A 187 18.536 -20.009 -8.364 1.00 0.00 O ATOM 799 CB SER A 187 17.949 -17.059 -6.756 1.00 0.00 C ATOM 800 OG SER A 187 16.679 -17.676 -6.821 1.00 0.00 O ATOM 0 H SER A 187 20.343 -16.487 -7.343 1.00 0.00 H new ATOM 0 HA SER A 187 19.014 -18.850 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.094 -16.606 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.011 -16.256 -7.491 1.00 0.00 H new ATOM 0 HG SER A 187 15.982 -17.009 -6.650 1.00 0.00 H new ATOM 806 N THR A 188 18.889 -18.072 -9.479 1.00 0.00 N ATOM 807 CA THR A 188 18.582 -18.641 -10.794 1.00 0.00 C ATOM 808 C THR A 188 19.836 -18.876 -11.639 1.00 0.00 C ATOM 809 O THR A 188 19.823 -19.737 -12.513 1.00 0.00 O ATOM 810 CB THR A 188 17.575 -17.729 -11.517 1.00 0.00 C ATOM 811 OG1 THR A 188 17.010 -18.419 -12.609 1.00 0.00 O ATOM 812 CG2 THR A 188 18.263 -16.460 -12.025 1.00 0.00 C ATOM 0 H THR A 188 19.163 -17.090 -9.498 1.00 0.00 H new ATOM 0 HA THR A 188 18.137 -19.625 -10.646 1.00 0.00 H new ATOM 0 HB THR A 188 16.794 -17.448 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.368 -17.837 -13.067 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.534 -15.829 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.690 -15.915 -11.183 1.00 0.00 H new ATOM 0 HG23 THR A 188 19.057 -16.730 -12.722 1.00 0.00 H new ATOM 820 N MET A 189 20.913 -18.131 -11.400 1.00 0.00 N ATOM 821 CA MET A 189 22.134 -18.293 -12.180 1.00 0.00 C ATOM 822 C MET A 189 23.088 -19.262 -11.471 1.00 0.00 C ATOM 823 O MET A 189 24.202 -18.890 -11.103 1.00 0.00 O ATOM 824 CB MET A 189 22.780 -16.925 -12.398 1.00 0.00 C ATOM 825 CG MET A 189 21.984 -16.121 -13.438 1.00 0.00 C ATOM 826 SD MET A 189 21.060 -14.726 -12.745 1.00 0.00 S ATOM 827 CE MET A 189 20.425 -14.016 -14.284 1.00 0.00 C ATOM 0 H MET A 189 20.964 -17.414 -10.677 1.00 0.00 H new ATOM 0 HA MET A 189 21.898 -18.720 -13.155 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.817 -16.378 -11.456 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.809 -17.050 -12.735 1.00 0.00 H new ATOM 0 HG2 MET A 189 22.672 -15.747 -14.196 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.287 -16.790 -13.943 1.00 0.00 H new ATOM 0 HE1 MET A 189 19.853 -13.115 -14.060 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.259 -13.763 -14.939 1.00 0.00 H new ATOM 0 HE3 MET A 189 19.780 -14.741 -14.780 1.00 0.00 H new