USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=8 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 :FLIP no HD1:sc= -0.84 F(o=-0.9,f=-0.29) USER MOD Set 1.2: A 188 THR OG1 : rot 83:sc= 0.554 USER MOD Single : A 148 THR OG1 : rot 81:sc= 1.04 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 159 HIS :FLIP no HD1:sc= -2.55 F(o=-3.4,f=-2.5) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.26) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 179 ASN : amide:sc= -0.0895 X(o=-0.09,f=-0.09) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot 98:sc= 0.264 USER MOD Single : A 189 MET CE :methyl 166:sc= -0.247 (180deg=-0.586) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.034 -10.357 -12.785 1.00 0.00 N ATOM 121 CA TRP A 147 14.081 -9.629 -13.483 1.00 0.00 C ATOM 122 C TRP A 147 13.841 -9.705 -14.990 1.00 0.00 C ATOM 123 O TRP A 147 13.444 -10.749 -15.506 1.00 0.00 O ATOM 124 CB TRP A 147 15.443 -10.223 -13.118 1.00 0.00 C ATOM 125 CG TRP A 147 15.962 -9.817 -11.770 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.332 -9.993 -10.595 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.225 -9.167 -11.433 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.081 -9.504 -9.553 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.272 -8.975 -10.015 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.343 -8.719 -12.174 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.356 -8.371 -9.376 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.441 -8.108 -11.532 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.444 -7.933 -10.138 1.00 0.00 C ATOM 0 HA TRP A 147 14.067 -8.581 -13.184 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.371 -11.310 -13.153 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.168 -9.927 -13.876 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.364 -10.458 -10.485 1.00 0.00 H new ATOM 0 HE1 TRP A 147 15.798 -9.528 -8.573 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.357 -8.846 -13.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.355 -8.243 -8.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.285 -7.773 -12.116 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.286 -7.460 -9.655 1.00 0.00 H new ATOM 144 N THR A 148 14.080 -8.593 -15.687 1.00 0.00 N ATOM 145 CA THR A 148 13.878 -8.519 -17.126 1.00 0.00 C ATOM 146 C THR A 148 15.068 -9.152 -17.848 1.00 0.00 C ATOM 147 O THR A 148 16.161 -9.243 -17.287 1.00 0.00 O ATOM 148 CB THR A 148 13.716 -7.044 -17.529 1.00 0.00 C ATOM 149 OG1 THR A 148 12.913 -6.378 -16.577 1.00 0.00 O ATOM 150 CG2 THR A 148 13.052 -6.945 -18.906 1.00 0.00 C ATOM 0 H THR A 148 14.417 -7.726 -15.269 1.00 0.00 H new ATOM 0 HA THR A 148 12.979 -9.067 -17.408 1.00 0.00 H new ATOM 0 HB THR A 148 14.701 -6.579 -17.570 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.460 -6.131 -15.803 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.942 -5.896 -19.182 1.00 0.00 H new ATOM 0 HG22 THR A 148 13.671 -7.452 -19.646 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.070 -7.416 -18.871 1.00 0.00 H new ATOM 158 N GLU A 149 14.854 -9.585 -19.100 1.00 0.00 N ATOM 159 CA GLU A 149 15.911 -10.182 -19.907 1.00 0.00 C ATOM 160 C GLU A 149 17.125 -9.255 -19.932 1.00 0.00 C ATOM 161 O GLU A 149 18.234 -9.690 -19.670 1.00 0.00 O ATOM 162 CB GLU A 149 15.395 -10.430 -21.335 1.00 0.00 C ATOM 163 CG GLU A 149 14.861 -11.862 -21.465 1.00 0.00 C ATOM 164 CD GLU A 149 15.983 -12.834 -21.829 1.00 0.00 C ATOM 165 OE1 GLU A 149 17.017 -12.802 -21.131 1.00 0.00 O ATOM 166 OE2 GLU A 149 15.789 -13.594 -22.807 1.00 0.00 O ATOM 0 H GLU A 149 13.951 -9.529 -19.571 1.00 0.00 H new ATOM 0 HA GLU A 149 16.208 -11.136 -19.471 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.606 -9.717 -21.573 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.199 -10.267 -22.053 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.400 -12.169 -20.526 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.084 -11.896 -22.228 1.00 0.00 H new ATOM 173 N GLU A 150 16.900 -7.973 -20.246 1.00 0.00 N ATOM 174 CA GLU A 150 17.972 -6.986 -20.306 1.00 0.00 C ATOM 175 C GLU A 150 18.833 -7.061 -19.041 1.00 0.00 C ATOM 176 O GLU A 150 20.058 -7.161 -19.130 1.00 0.00 O ATOM 177 CB GLU A 150 17.351 -5.592 -20.477 1.00 0.00 C ATOM 178 CG GLU A 150 18.442 -4.510 -20.442 1.00 0.00 C ATOM 179 CD GLU A 150 18.632 -3.957 -19.032 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.639 -3.420 -18.493 1.00 0.00 O ATOM 181 OE2 GLU A 150 19.764 -4.082 -18.520 1.00 0.00 O ATOM 0 H GLU A 150 15.976 -7.598 -20.463 1.00 0.00 H new ATOM 0 HA GLU A 150 18.622 -7.191 -21.157 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.810 -5.541 -21.422 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.625 -5.411 -19.684 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.383 -4.928 -20.801 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.175 -3.699 -21.120 1.00 0.00 H new ATOM 188 N GLU A 151 18.191 -7.010 -17.867 1.00 0.00 N ATOM 189 CA GLU A 151 18.895 -7.047 -16.595 1.00 0.00 C ATOM 190 C GLU A 151 19.748 -8.315 -16.493 1.00 0.00 C ATOM 191 O GLU A 151 20.947 -8.228 -16.261 1.00 0.00 O ATOM 192 CB GLU A 151 17.886 -6.984 -15.440 1.00 0.00 C ATOM 193 CG GLU A 151 17.060 -5.696 -15.520 1.00 0.00 C ATOM 194 CD GLU A 151 16.018 -5.654 -14.407 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.370 -5.140 -13.320 1.00 0.00 O ATOM 196 OE2 GLU A 151 14.892 -6.135 -14.663 1.00 0.00 O ATOM 0 H GLU A 151 17.177 -6.943 -17.780 1.00 0.00 H new ATOM 0 HA GLU A 151 19.558 -6.184 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.225 -7.850 -15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.412 -7.027 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.718 -4.831 -15.442 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.566 -5.634 -16.490 1.00 0.00 H new ATOM 203 N ASP A 152 19.120 -9.487 -16.661 1.00 0.00 N ATOM 204 CA ASP A 152 19.809 -10.773 -16.544 1.00 0.00 C ATOM 205 C ASP A 152 21.006 -10.855 -17.502 1.00 0.00 C ATOM 206 O ASP A 152 22.108 -11.221 -17.091 1.00 0.00 O ATOM 207 CB ASP A 152 18.810 -11.897 -16.839 1.00 0.00 C ATOM 208 CG ASP A 152 19.459 -13.265 -16.666 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.402 -13.782 -15.528 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.998 -13.771 -17.676 1.00 0.00 O ATOM 0 H ASP A 152 18.127 -9.567 -16.880 1.00 0.00 H new ATOM 0 HA ASP A 152 20.197 -10.877 -15.531 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.953 -11.810 -16.172 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.433 -11.796 -17.857 1.00 0.00 H new ATOM 215 N ARG A 153 20.784 -10.524 -18.775 1.00 0.00 N ATOM 216 CA ARG A 153 21.828 -10.599 -19.792 1.00 0.00 C ATOM 217 C ARG A 153 23.018 -9.733 -19.381 1.00 0.00 C ATOM 218 O ARG A 153 24.152 -10.213 -19.343 1.00 0.00 O ATOM 219 CB ARG A 153 21.264 -10.138 -21.147 1.00 0.00 C ATOM 220 CG ARG A 153 20.040 -10.985 -21.542 1.00 0.00 C ATOM 221 CD ARG A 153 20.451 -12.149 -22.440 1.00 0.00 C ATOM 222 NE ARG A 153 19.299 -13.032 -22.662 1.00 0.00 N ATOM 223 CZ ARG A 153 19.273 -14.007 -23.582 1.00 0.00 C ATOM 224 NH1 ARG A 153 20.372 -14.295 -24.296 1.00 0.00 N ATOM 225 NH2 ARG A 153 18.141 -14.694 -23.787 1.00 0.00 N ATOM 0 H ARG A 153 19.883 -10.199 -19.126 1.00 0.00 H new ATOM 0 HA ARG A 153 22.169 -11.630 -19.888 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.982 -9.087 -21.091 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.033 -10.221 -21.914 1.00 0.00 H new ATOM 0 HG2 ARG A 153 19.552 -11.367 -20.645 1.00 0.00 H new ATOM 0 HG3 ARG A 153 19.312 -10.360 -22.060 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.822 -11.772 -23.393 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.266 -12.707 -21.979 1.00 0.00 H new ATOM 0 HE ARG A 153 18.471 -12.896 -22.083 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.233 -13.771 -24.140 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.346 -15.038 -24.995 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.306 -14.474 -23.245 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.115 -15.437 -24.485 1.00 0.00 H new ATOM 239 N ILE A 154 22.759 -8.455 -19.073 1.00 0.00 N ATOM 240 CA ILE A 154 23.808 -7.528 -18.673 1.00 0.00 C ATOM 241 C ILE A 154 24.485 -8.027 -17.392 1.00 0.00 C ATOM 242 O ILE A 154 25.697 -7.888 -17.241 1.00 0.00 O ATOM 243 CB ILE A 154 23.200 -6.126 -18.471 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.710 -5.558 -19.821 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.243 -5.185 -17.855 1.00 0.00 C ATOM 246 CD1 ILE A 154 23.885 -5.066 -20.677 1.00 0.00 C ATOM 0 H ILE A 154 21.825 -8.045 -19.096 1.00 0.00 H new ATOM 0 HA ILE A 154 24.567 -7.468 -19.453 1.00 0.00 H new ATOM 0 HB ILE A 154 22.350 -6.207 -17.793 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.159 -6.326 -20.363 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.018 -4.735 -19.642 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.804 -4.197 -17.716 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.564 -5.579 -16.890 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.103 -5.110 -18.520 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.508 -4.672 -21.621 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.420 -4.280 -20.144 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.563 -5.896 -20.876 1.00 0.00 H new ATOM 258 N LEU A 155 23.700 -8.611 -16.476 1.00 0.00 N ATOM 259 CA LEU A 155 24.225 -9.133 -15.222 1.00 0.00 C ATOM 260 C LEU A 155 25.322 -10.156 -15.513 1.00 0.00 C ATOM 261 O LEU A 155 26.404 -10.083 -14.938 1.00 0.00 O ATOM 262 CB LEU A 155 23.075 -9.767 -14.415 1.00 0.00 C ATOM 263 CG LEU A 155 23.466 -9.978 -12.943 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.775 -8.626 -12.288 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.289 -10.630 -12.211 1.00 0.00 C ATOM 0 H LEU A 155 22.693 -8.731 -16.588 1.00 0.00 H new ATOM 0 HA LEU A 155 24.659 -8.326 -14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.195 -9.126 -14.470 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.801 -10.724 -14.860 1.00 0.00 H new ATOM 0 HG LEU A 155 24.348 -10.615 -12.887 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.051 -8.782 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.600 -8.147 -12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 155 22.893 -7.987 -12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.552 -10.786 -11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.417 -9.979 -12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.059 -11.590 -12.674 1.00 0.00 H new ATOM 277 N TYR A 156 25.041 -11.109 -16.410 1.00 0.00 N ATOM 278 CA TYR A 156 26.000 -12.142 -16.768 1.00 0.00 C ATOM 279 C TYR A 156 27.195 -11.534 -17.496 1.00 0.00 C ATOM 280 O TYR A 156 28.341 -11.822 -17.148 1.00 0.00 O ATOM 281 CB TYR A 156 25.301 -13.202 -17.633 1.00 0.00 C ATOM 282 CG TYR A 156 26.210 -14.326 -18.108 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.071 -14.122 -19.203 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.176 -15.579 -17.467 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.903 -15.165 -19.647 1.00 0.00 C ATOM 286 CE2 TYR A 156 27.011 -16.620 -17.911 1.00 0.00 C ATOM 287 CZ TYR A 156 27.875 -16.412 -19.000 1.00 0.00 C ATOM 288 OH TYR A 156 28.683 -17.422 -19.434 1.00 0.00 O ATOM 0 H TYR A 156 24.149 -11.179 -16.900 1.00 0.00 H new ATOM 0 HA TYR A 156 26.377 -12.619 -15.864 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.478 -13.633 -17.063 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.864 -12.712 -18.503 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.092 -13.164 -19.702 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.508 -15.741 -16.634 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.564 -15.007 -20.486 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.988 -17.579 -17.415 1.00 0.00 H new ATOM 0 HH TYR A 156 28.541 -18.216 -18.878 1.00 0.00 H new ATOM 298 N GLN A 157 26.929 -10.697 -18.505 1.00 0.00 N ATOM 299 CA GLN A 157 27.986 -10.063 -19.284 1.00 0.00 C ATOM 300 C GLN A 157 28.972 -9.353 -18.355 1.00 0.00 C ATOM 301 O GLN A 157 30.181 -9.471 -18.531 1.00 0.00 O ATOM 302 CB GLN A 157 27.362 -9.067 -20.266 1.00 0.00 C ATOM 303 CG GLN A 157 26.656 -9.823 -21.397 1.00 0.00 C ATOM 304 CD GLN A 157 25.750 -8.889 -22.192 1.00 0.00 C ATOM 305 OE1 GLN A 157 24.537 -9.077 -22.227 1.00 0.00 O ATOM 306 NE2 GLN A 157 26.342 -7.881 -22.832 1.00 0.00 N ATOM 0 H GLN A 157 25.985 -10.445 -18.798 1.00 0.00 H new ATOM 0 HA GLN A 157 28.531 -10.823 -19.844 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.650 -8.427 -19.745 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.134 -8.417 -20.678 1.00 0.00 H new ATOM 0 HG2 GLN A 157 27.397 -10.269 -22.060 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.067 -10.641 -20.981 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.354 -7.764 -22.774 1.00 0.00 H new ATOM 0 HE22 GLN A 157 25.783 -7.226 -23.380 1.00 0.00 H new ATOM 315 N ALA A 158 28.452 -8.617 -17.371 1.00 0.00 N ATOM 316 CA ALA A 158 29.281 -7.882 -16.433 1.00 0.00 C ATOM 317 C ALA A 158 29.999 -8.836 -15.486 1.00 0.00 C ATOM 318 O ALA A 158 31.208 -8.737 -15.305 1.00 0.00 O ATOM 319 CB ALA A 158 28.405 -6.921 -15.632 1.00 0.00 C ATOM 0 H ALA A 158 27.450 -8.518 -17.208 1.00 0.00 H new ATOM 0 HA ALA A 158 30.032 -7.321 -16.990 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.024 -6.367 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.915 -6.223 -16.311 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.650 -7.486 -15.086 1.00 0.00 H new ATOM 325 N HIS A 159 29.243 -9.746 -14.871 1.00 0.00 N ATOM 326 CA HIS A 159 29.777 -10.662 -13.878 1.00 0.00 C ATOM 327 C HIS A 159 30.978 -11.445 -14.403 1.00 0.00 C ATOM 328 O HIS A 159 31.975 -11.577 -13.706 1.00 0.00 O ATOM 329 CB HIS A 159 28.679 -11.627 -13.437 1.00 0.00 C ATOM 330 CG HIS A 159 29.120 -12.475 -12.282 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.388 -12.169 -10.979 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.360 -13.838 -12.390 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 29.778 -13.288 -10.257 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 29.741 -14.262 -11.169 1.00 0.00 N flip ATOM 0 H HIS A 159 28.246 -9.864 -15.051 1.00 0.00 H new ATOM 0 HA HIS A 159 30.122 -10.071 -13.029 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.790 -11.063 -13.156 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.399 -12.268 -14.273 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.261 -14.442 -13.280 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.046 -13.355 -9.213 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.978 -15.232 -10.962 1.00 0.00 H new ATOM 342 N LYS A 160 30.885 -11.984 -15.616 1.00 0.00 N ATOM 343 CA LYS A 160 31.956 -12.810 -16.156 1.00 0.00 C ATOM 344 C LYS A 160 33.090 -11.956 -16.740 1.00 0.00 C ATOM 345 O LYS A 160 34.213 -12.436 -16.866 1.00 0.00 O ATOM 346 CB LYS A 160 31.381 -13.771 -17.208 1.00 0.00 C ATOM 347 CG LYS A 160 30.870 -13.000 -18.433 1.00 0.00 C ATOM 348 CD LYS A 160 31.853 -13.159 -19.598 1.00 0.00 C ATOM 349 CE LYS A 160 31.333 -12.394 -20.816 1.00 0.00 C ATOM 350 NZ LYS A 160 32.226 -12.577 -21.975 1.00 0.00 N ATOM 0 H LYS A 160 30.085 -11.864 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 160 32.390 -13.393 -15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.148 -14.482 -17.515 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.567 -14.349 -16.772 1.00 0.00 H new ATOM 0 HG2 LYS A 160 29.887 -13.371 -18.723 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.753 -11.945 -18.186 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.835 -12.783 -19.312 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.974 -14.214 -19.843 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.330 -12.740 -21.067 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.254 -11.333 -20.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.852 -12.048 -22.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.176 -12.225 -21.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.281 -13.588 -22.215 1.00 0.00 H new ATOM 364 N ARG A 161 32.802 -10.695 -17.102 1.00 0.00 N ATOM 365 CA ARG A 161 33.808 -9.815 -17.686 1.00 0.00 C ATOM 366 C ARG A 161 34.604 -9.121 -16.578 1.00 0.00 C ATOM 367 O ARG A 161 35.819 -9.286 -16.492 1.00 0.00 O ATOM 368 CB ARG A 161 33.114 -8.796 -18.595 1.00 0.00 C ATOM 369 CG ARG A 161 34.159 -7.921 -19.299 1.00 0.00 C ATOM 370 CD ARG A 161 33.464 -6.977 -20.285 1.00 0.00 C ATOM 371 NE ARG A 161 32.492 -6.116 -19.598 1.00 0.00 N ATOM 372 CZ ARG A 161 31.728 -5.213 -20.237 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.858 -5.035 -21.558 1.00 0.00 N ATOM 374 NH2 ARG A 161 30.835 -4.488 -19.550 1.00 0.00 N ATOM 0 H ARG A 161 31.881 -10.270 -16.998 1.00 0.00 H new ATOM 0 HA ARG A 161 34.510 -10.396 -18.284 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.503 -9.313 -19.335 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.441 -8.171 -18.007 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.720 -7.345 -18.563 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.877 -8.549 -19.827 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.208 -6.360 -20.789 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.958 -7.559 -21.055 1.00 0.00 H new ATOM 0 HE ARG A 161 32.392 -6.208 -18.587 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.538 -5.585 -22.082 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.277 -4.349 -22.040 1.00 0.00 H new ATOM 0 HH21 ARG A 161 30.736 -4.622 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 161 30.255 -3.802 -20.033 1.00 0.00 H new ATOM 388 N LEU A 162 33.918 -8.344 -15.734 1.00 0.00 N ATOM 389 CA LEU A 162 34.561 -7.626 -14.641 1.00 0.00 C ATOM 390 C LEU A 162 34.967 -8.615 -13.556 1.00 0.00 C ATOM 391 O LEU A 162 36.062 -8.519 -13.002 1.00 0.00 O ATOM 392 CB LEU A 162 33.592 -6.582 -14.052 1.00 0.00 C ATOM 393 CG LEU A 162 33.502 -5.313 -14.925 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.879 -4.646 -15.052 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.962 -5.654 -16.315 1.00 0.00 C ATOM 0 H LEU A 162 32.910 -8.199 -15.792 1.00 0.00 H new ATOM 0 HA LEU A 162 35.446 -7.114 -15.020 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.601 -7.024 -13.953 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.921 -6.309 -13.049 1.00 0.00 H new ATOM 0 HG LEU A 162 32.817 -4.618 -14.441 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.795 -3.753 -15.671 1.00 0.00 H new ATOM 0 HD12 LEU A 162 35.242 -4.368 -14.062 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.580 -5.342 -15.513 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.906 -4.747 -16.916 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.628 -6.369 -16.799 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.967 -6.090 -16.222 1.00 0.00 H new ATOM 407 N GLY A 163 34.069 -9.561 -13.252 1.00 0.00 N ATOM 408 CA GLY A 163 34.290 -10.554 -12.217 1.00 0.00 C ATOM 409 C GLY A 163 33.145 -10.490 -11.215 1.00 0.00 C ATOM 410 O GLY A 163 32.108 -9.892 -11.491 1.00 0.00 O ATOM 0 H GLY A 163 33.169 -9.651 -13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.350 -11.549 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.240 -10.370 -11.715 1.00 0.00 H new ATOM 414 N ASN A 164 33.331 -11.096 -10.044 1.00 0.00 N ATOM 415 CA ASN A 164 32.311 -11.090 -9.005 1.00 0.00 C ATOM 416 C ASN A 164 32.402 -9.803 -8.174 1.00 0.00 C ATOM 417 O ASN A 164 31.953 -9.766 -7.026 1.00 0.00 O ATOM 418 CB ASN A 164 32.481 -12.342 -8.146 1.00 0.00 C ATOM 419 CG ASN A 164 33.825 -12.340 -7.423 1.00 0.00 C ATOM 420 OD1 ASN A 164 34.786 -12.939 -7.897 1.00 0.00 O ATOM 421 ND2 ASN A 164 33.892 -11.667 -6.275 1.00 0.00 N ATOM 0 H ASN A 164 34.183 -11.598 -9.793 1.00 0.00 H new ATOM 0 HA ASN A 164 31.316 -11.107 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 164 31.673 -12.397 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.405 -13.230 -8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 164 34.768 -11.635 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.068 -11.183 -5.918 1.00 0.00 H new ATOM 428 N ARG A 165 32.977 -8.745 -8.767 1.00 0.00 N ATOM 429 CA ARG A 165 33.113 -7.453 -8.116 1.00 0.00 C ATOM 430 C ARG A 165 31.821 -6.663 -8.318 1.00 0.00 C ATOM 431 O ARG A 165 31.792 -5.681 -9.057 1.00 0.00 O ATOM 432 CB ARG A 165 34.306 -6.716 -8.723 1.00 0.00 C ATOM 433 CG ARG A 165 35.614 -7.402 -8.314 1.00 0.00 C ATOM 434 CD ARG A 165 36.750 -6.933 -9.229 1.00 0.00 C ATOM 435 NE ARG A 165 36.942 -7.859 -10.355 1.00 0.00 N ATOM 436 CZ ARG A 165 37.657 -8.996 -10.262 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.173 -9.379 -9.086 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.850 -9.747 -11.351 1.00 0.00 N ATOM 0 H ARG A 165 33.358 -8.772 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 165 33.286 -7.574 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.219 -6.700 -9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.311 -5.679 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.850 -7.168 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.504 -8.484 -8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.527 -5.936 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.674 -6.856 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 165 36.512 -7.629 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.025 -8.808 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.714 -10.242 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.456 -9.458 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.391 -10.609 -11.286 1.00 0.00 H new ATOM 452 N TRP A 166 30.750 -7.111 -7.658 1.00 0.00 N ATOM 453 CA TRP A 166 29.433 -6.499 -7.773 1.00 0.00 C ATOM 454 C TRP A 166 29.475 -4.993 -7.485 1.00 0.00 C ATOM 455 O TRP A 166 28.688 -4.239 -8.054 1.00 0.00 O ATOM 456 CB TRP A 166 28.485 -7.192 -6.801 1.00 0.00 C ATOM 457 CG TRP A 166 28.263 -8.649 -7.069 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.584 -9.655 -6.239 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.666 -9.290 -8.237 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.220 -10.867 -6.770 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.635 -10.703 -8.011 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.139 -8.832 -9.468 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.098 -11.600 -8.936 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.605 -9.738 -10.409 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.577 -11.116 -10.139 1.00 0.00 C ATOM 0 H TRP A 166 30.777 -7.912 -7.027 1.00 0.00 H new ATOM 0 HA TRP A 166 29.082 -6.620 -8.798 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.877 -7.079 -5.790 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.522 -6.681 -6.828 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.065 -9.527 -5.281 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.362 -11.767 -6.311 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.146 -7.775 -9.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.085 -12.659 -8.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.214 -9.368 -11.345 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.154 -11.800 -10.860 1.00 0.00 H new ATOM 476 N ALA A 167 30.379 -4.564 -6.593 1.00 0.00 N ATOM 477 CA ALA A 167 30.481 -3.163 -6.194 1.00 0.00 C ATOM 478 C ALA A 167 30.560 -2.238 -7.417 1.00 0.00 C ATOM 479 O ALA A 167 29.604 -1.520 -7.708 1.00 0.00 O ATOM 480 CB ALA A 167 31.703 -2.985 -5.291 1.00 0.00 C ATOM 0 H ALA A 167 31.053 -5.177 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 167 29.583 -2.886 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.784 -1.940 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.595 -3.611 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.602 -3.277 -5.834 1.00 0.00 H new ATOM 486 N GLU A 168 31.695 -2.244 -8.130 1.00 0.00 N ATOM 487 CA GLU A 168 31.876 -1.371 -9.287 1.00 0.00 C ATOM 488 C GLU A 168 30.907 -1.740 -10.417 1.00 0.00 C ATOM 489 O GLU A 168 30.536 -0.879 -11.206 1.00 0.00 O ATOM 490 CB GLU A 168 33.334 -1.416 -9.777 1.00 0.00 C ATOM 491 CG GLU A 168 33.828 -2.860 -9.922 1.00 0.00 C ATOM 492 CD GLU A 168 34.747 -3.235 -8.767 1.00 0.00 C ATOM 493 OE1 GLU A 168 34.236 -3.270 -7.628 1.00 0.00 O ATOM 494 OE2 GLU A 168 35.939 -3.479 -9.045 1.00 0.00 O ATOM 0 H GLU A 168 32.495 -2.842 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 168 31.650 -0.351 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.414 -0.904 -10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.973 -0.880 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.976 -3.540 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.359 -2.975 -10.867 1.00 0.00 H new ATOM 501 N ILE A 169 30.494 -3.008 -10.501 1.00 0.00 N ATOM 502 CA ILE A 169 29.581 -3.450 -11.549 1.00 0.00 C ATOM 503 C ILE A 169 28.227 -2.744 -11.411 1.00 0.00 C ATOM 504 O ILE A 169 27.557 -2.502 -12.417 1.00 0.00 O ATOM 505 CB ILE A 169 29.426 -4.971 -11.474 1.00 0.00 C ATOM 506 CG1 ILE A 169 30.697 -5.632 -12.028 1.00 0.00 C ATOM 507 CG2 ILE A 169 28.206 -5.423 -12.292 1.00 0.00 C ATOM 508 CD1 ILE A 169 30.717 -7.124 -11.684 1.00 0.00 C ATOM 0 H ILE A 169 30.780 -3.743 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 169 29.989 -3.188 -12.525 1.00 0.00 H new ATOM 0 HB ILE A 169 29.277 -5.268 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.741 -5.501 -13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 169 31.579 -5.145 -11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 169 28.108 -6.507 -12.230 1.00 0.00 H new ATOM 0 HG22 ILE A 169 27.307 -4.954 -11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 169 28.337 -5.130 -13.334 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.624 -7.577 -12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.696 -7.248 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.845 -7.610 -12.122 1.00 0.00 H new ATOM 520 N ALA A 170 27.819 -2.411 -10.177 1.00 0.00 N ATOM 521 CA ALA A 170 26.541 -1.742 -9.948 1.00 0.00 C ATOM 522 C ALA A 170 26.498 -0.388 -10.661 1.00 0.00 C ATOM 523 O ALA A 170 25.423 0.170 -10.841 1.00 0.00 O ATOM 524 CB ALA A 170 26.297 -1.566 -8.456 1.00 0.00 C ATOM 0 H ALA A 170 28.356 -2.595 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 170 25.749 -2.367 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.341 -1.066 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.279 -2.543 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.096 -0.963 -8.025 1.00 0.00 H new ATOM 530 N LYS A 171 27.656 0.142 -11.085 1.00 0.00 N ATOM 531 CA LYS A 171 27.687 1.384 -11.840 1.00 0.00 C ATOM 532 C LYS A 171 26.875 1.196 -13.121 1.00 0.00 C ATOM 533 O LYS A 171 26.219 2.124 -13.589 1.00 0.00 O ATOM 534 CB LYS A 171 29.134 1.756 -12.166 1.00 0.00 C ATOM 535 CG LYS A 171 29.835 2.275 -10.902 1.00 0.00 C ATOM 536 CD LYS A 171 31.182 2.911 -11.268 1.00 0.00 C ATOM 537 CE LYS A 171 32.181 1.827 -11.683 1.00 0.00 C ATOM 538 NZ LYS A 171 33.509 2.406 -11.957 1.00 0.00 N ATOM 0 H LYS A 171 28.572 -0.274 -10.915 1.00 0.00 H new ATOM 0 HA LYS A 171 27.253 2.194 -11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.664 0.887 -12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.157 2.519 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.202 3.008 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.990 1.455 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.047 3.623 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.572 3.470 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.262 1.081 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.815 1.312 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 34.166 1.650 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.433 3.100 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.866 2.877 -11.101 1.00 0.00 H new ATOM 552 N LEU A 172 26.920 -0.023 -13.674 1.00 0.00 N ATOM 553 CA LEU A 172 26.175 -0.370 -14.870 1.00 0.00 C ATOM 554 C LEU A 172 24.715 -0.643 -14.496 1.00 0.00 C ATOM 555 O LEU A 172 23.810 -0.345 -15.272 1.00 0.00 O ATOM 556 CB LEU A 172 26.817 -1.613 -15.515 1.00 0.00 C ATOM 557 CG LEU A 172 26.886 -1.458 -17.042 1.00 0.00 C ATOM 558 CD1 LEU A 172 27.595 -2.676 -17.639 1.00 0.00 C ATOM 559 CD2 LEU A 172 25.476 -1.355 -17.629 1.00 0.00 C ATOM 0 H LEU A 172 27.477 -0.790 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 172 26.200 0.452 -15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.820 -1.760 -15.114 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.238 -2.501 -15.260 1.00 0.00 H new ATOM 0 HG LEU A 172 27.437 -0.549 -17.284 1.00 0.00 H new ATOM 0 HD11 LEU A 172 27.647 -2.572 -18.723 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.604 -2.745 -17.232 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.040 -3.580 -17.388 1.00 0.00 H new ATOM 0 HD21 LEU A 172 25.540 -1.246 -18.712 1.00 0.00 H new ATOM 0 HD22 LEU A 172 24.915 -2.258 -17.388 1.00 0.00 H new ATOM 0 HD23 LEU A 172 24.968 -0.488 -17.206 1.00 0.00 H new ATOM 571 N LEU A 173 24.492 -1.212 -13.294 1.00 0.00 N ATOM 572 CA LEU A 173 23.150 -1.536 -12.814 1.00 0.00 C ATOM 573 C LEU A 173 22.866 -0.828 -11.483 1.00 0.00 C ATOM 574 O LEU A 173 22.881 -1.468 -10.432 1.00 0.00 O ATOM 575 CB LEU A 173 23.031 -3.059 -12.647 1.00 0.00 C ATOM 576 CG LEU A 173 23.141 -3.771 -14.007 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.223 -5.281 -13.777 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.912 -3.460 -14.871 1.00 0.00 C ATOM 0 H LEU A 173 25.236 -1.455 -12.640 1.00 0.00 H new ATOM 0 HA LEU A 173 22.415 -1.191 -13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.815 -3.418 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.077 -3.304 -12.180 1.00 0.00 H new ATOM 0 HG LEU A 173 24.035 -3.419 -14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.301 -5.792 -14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.100 -5.510 -13.172 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.326 -5.619 -13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.003 -3.970 -15.830 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.012 -3.804 -14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.846 -2.385 -15.037 1.00 0.00 H new ATOM 590 N PRO A 174 22.597 0.496 -11.517 1.00 0.00 N ATOM 591 CA PRO A 174 22.293 1.259 -10.322 1.00 0.00 C ATOM 592 C PRO A 174 20.980 0.781 -9.706 1.00 0.00 C ATOM 593 O PRO A 174 20.161 0.154 -10.383 1.00 0.00 O ATOM 594 CB PRO A 174 22.196 2.720 -10.772 1.00 0.00 C ATOM 595 CG PRO A 174 22.237 2.714 -12.304 1.00 0.00 C ATOM 596 CD PRO A 174 22.580 1.287 -12.731 1.00 0.00 C ATOM 0 HA PRO A 174 23.058 1.136 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.274 3.175 -10.412 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.021 3.306 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.276 3.021 -12.718 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.983 3.418 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.842 0.903 -13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.547 1.252 -13.232 1.00 0.00 H new ATOM 604 N GLY A 175 20.777 1.072 -8.417 1.00 0.00 N ATOM 605 CA GLY A 175 19.567 0.673 -7.714 1.00 0.00 C ATOM 606 C GLY A 175 19.670 -0.782 -7.255 1.00 0.00 C ATOM 607 O GLY A 175 19.285 -1.105 -6.134 1.00 0.00 O ATOM 0 H GLY A 175 21.444 1.586 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.409 1.322 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.703 0.794 -8.367 1.00 0.00 H new ATOM 611 N ARG A 176 20.192 -1.658 -8.125 1.00 0.00 N ATOM 612 CA ARG A 176 20.343 -3.066 -7.803 1.00 0.00 C ATOM 613 C ARG A 176 21.375 -3.215 -6.679 1.00 0.00 C ATOM 614 O ARG A 176 22.552 -2.922 -6.876 1.00 0.00 O ATOM 615 CB ARG A 176 20.794 -3.849 -9.051 1.00 0.00 C ATOM 616 CG ARG A 176 19.949 -3.488 -10.285 1.00 0.00 C ATOM 617 CD ARG A 176 18.456 -3.682 -10.004 1.00 0.00 C ATOM 618 NE ARG A 176 17.680 -3.612 -11.253 1.00 0.00 N ATOM 619 CZ ARG A 176 17.433 -2.464 -11.912 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.900 -1.295 -11.448 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.718 -2.492 -13.041 1.00 0.00 N ATOM 0 H ARG A 176 20.515 -1.405 -9.059 1.00 0.00 H new ATOM 0 HA ARG A 176 19.386 -3.470 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.844 -3.637 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.717 -4.919 -8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 176 20.138 -2.453 -10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.248 -4.110 -11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.293 -4.646 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.109 -2.916 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 176 17.309 -4.480 -11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 176 18.448 -1.270 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 176 17.707 -0.431 -11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.363 -3.379 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 176 16.527 -1.626 -13.545 1.00 0.00 H new ATOM 635 N THR A 177 20.931 -3.669 -5.501 1.00 0.00 N ATOM 636 CA THR A 177 21.819 -3.859 -4.361 1.00 0.00 C ATOM 637 C THR A 177 22.578 -5.174 -4.523 1.00 0.00 C ATOM 638 O THR A 177 22.056 -6.121 -5.107 1.00 0.00 O ATOM 639 CB THR A 177 20.993 -3.867 -3.070 1.00 0.00 C ATOM 640 OG1 THR A 177 19.882 -4.724 -3.227 1.00 0.00 O ATOM 641 CG2 THR A 177 20.502 -2.452 -2.763 1.00 0.00 C ATOM 0 H THR A 177 19.957 -3.911 -5.318 1.00 0.00 H new ATOM 0 HA THR A 177 22.540 -3.043 -4.310 1.00 0.00 H new ATOM 0 HB THR A 177 21.615 -4.221 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.355 -4.731 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.915 -2.462 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.358 -1.789 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.882 -2.095 -3.586 1.00 0.00 H new ATOM 649 N ASP A 178 23.811 -5.229 -4.001 1.00 0.00 N ATOM 650 CA ASP A 178 24.647 -6.419 -4.102 1.00 0.00 C ATOM 651 C ASP A 178 23.901 -7.637 -3.547 1.00 0.00 C ATOM 652 O ASP A 178 23.883 -8.690 -4.178 1.00 0.00 O ATOM 653 CB ASP A 178 25.967 -6.191 -3.352 1.00 0.00 C ATOM 654 CG ASP A 178 25.762 -6.181 -1.841 1.00 0.00 C ATOM 655 OD1 ASP A 178 24.968 -5.331 -1.383 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.398 -7.027 -1.177 1.00 0.00 O ATOM 0 H ASP A 178 24.248 -4.454 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 178 24.875 -6.613 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.677 -6.974 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.405 -5.244 -3.666 1.00 0.00 H new ATOM 661 N ASN A 179 23.286 -7.486 -2.368 1.00 0.00 N ATOM 662 CA ASN A 179 22.557 -8.571 -1.725 1.00 0.00 C ATOM 663 C ASN A 179 21.514 -9.149 -2.679 1.00 0.00 C ATOM 664 O ASN A 179 21.448 -10.362 -2.866 1.00 0.00 O ATOM 665 CB ASN A 179 21.884 -8.051 -0.448 1.00 0.00 C ATOM 666 CG ASN A 179 22.901 -7.425 0.504 1.00 0.00 C ATOM 667 OD1 ASN A 179 22.798 -6.247 0.832 1.00 0.00 O ATOM 668 ND2 ASN A 179 23.879 -8.214 0.947 1.00 0.00 N ATOM 0 H ASN A 179 23.283 -6.613 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 179 23.256 -9.365 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.126 -7.313 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.370 -8.871 0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.582 -7.844 1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.924 -9.188 0.647 1.00 0.00 H new ATOM 675 N ALA A 180 20.696 -8.276 -3.279 1.00 0.00 N ATOM 676 CA ALA A 180 19.646 -8.700 -4.194 1.00 0.00 C ATOM 677 C ALA A 180 20.248 -9.337 -5.446 1.00 0.00 C ATOM 678 O ALA A 180 19.735 -10.336 -5.935 1.00 0.00 O ATOM 679 CB ALA A 180 18.785 -7.497 -4.572 1.00 0.00 C ATOM 0 H ALA A 180 20.747 -7.267 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 180 19.024 -9.447 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 180 17.998 -7.813 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.335 -7.075 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.406 -6.743 -5.056 1.00 0.00 H new ATOM 685 N ILE A 181 21.334 -8.755 -5.964 1.00 0.00 N ATOM 686 CA ILE A 181 21.989 -9.263 -7.160 1.00 0.00 C ATOM 687 C ILE A 181 22.475 -10.678 -6.934 1.00 0.00 C ATOM 688 O ILE A 181 22.284 -11.530 -7.780 1.00 0.00 O ATOM 689 CB ILE A 181 23.159 -8.357 -7.529 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.611 -7.080 -8.146 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.067 -9.063 -8.533 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.659 -5.967 -8.058 1.00 0.00 C ATOM 0 H ILE A 181 21.776 -7.926 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 181 21.271 -9.272 -7.980 1.00 0.00 H new ATOM 0 HB ILE A 181 23.738 -8.122 -6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.341 -7.256 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.701 -6.777 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.900 -8.410 -8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.450 -9.983 -8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.499 -9.301 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.260 -5.055 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.907 -5.783 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.557 -6.269 -8.597 1.00 0.00 H new ATOM 704 N LYS A 182 23.110 -10.921 -5.795 1.00 0.00 N ATOM 705 CA LYS A 182 23.625 -12.234 -5.473 1.00 0.00 C ATOM 706 C LYS A 182 22.487 -13.184 -5.210 1.00 0.00 C ATOM 707 O LYS A 182 22.524 -14.325 -5.655 1.00 0.00 O ATOM 708 CB LYS A 182 24.502 -12.132 -4.252 1.00 0.00 C ATOM 709 CG LYS A 182 25.852 -11.575 -4.660 1.00 0.00 C ATOM 710 CD LYS A 182 26.415 -10.724 -3.516 1.00 0.00 C ATOM 711 CE LYS A 182 26.386 -11.513 -2.194 1.00 0.00 C ATOM 712 NZ LYS A 182 27.378 -12.603 -2.200 1.00 0.00 N ATOM 0 H LYS A 182 23.279 -10.216 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 182 24.208 -12.613 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.037 -11.486 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.623 -13.113 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.538 -12.389 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.752 -10.972 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.438 -10.425 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.831 -9.809 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.588 -10.839 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.390 -11.926 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.335 -13.117 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.170 -13.258 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.330 -12.205 -2.327 1.00 0.00 H new ATOM 726 N ASN A 183 21.469 -12.718 -4.486 1.00 0.00 N ATOM 727 CA ASN A 183 20.323 -13.544 -4.203 1.00 0.00 C ATOM 728 C ASN A 183 19.722 -13.993 -5.535 1.00 0.00 C ATOM 729 O ASN A 183 19.321 -15.142 -5.690 1.00 0.00 O ATOM 730 CB ASN A 183 19.304 -12.756 -3.374 1.00 0.00 C ATOM 731 CG ASN A 183 18.021 -13.558 -3.184 1.00 0.00 C ATOM 732 OD1 ASN A 183 16.959 -13.149 -3.644 1.00 0.00 O ATOM 733 ND2 ASN A 183 18.120 -14.699 -2.505 1.00 0.00 N ATOM 0 H ASN A 183 21.426 -11.778 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 183 20.613 -14.420 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.732 -12.511 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.078 -11.812 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.291 -15.273 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.024 -14.999 -2.141 1.00 0.00 H new ATOM 740 N HIS A 184 19.684 -13.066 -6.500 1.00 0.00 N ATOM 741 CA HIS A 184 19.178 -13.337 -7.830 1.00 0.00 C ATOM 742 C HIS A 184 20.139 -14.261 -8.582 1.00 0.00 C ATOM 743 O HIS A 184 19.709 -15.197 -9.247 1.00 0.00 O ATOM 744 CB HIS A 184 19.034 -12.015 -8.600 1.00 0.00 C ATOM 745 CG HIS A 184 18.401 -12.227 -9.948 1.00 0.00 C ATOM 746 ND1 HIS A 184 18.842 -11.984 -11.222 1.00 0.00 N flip ATOM 747 CD2 HIS A 184 17.144 -12.793 -10.109 1.00 0.00 C flip ATOM 748 CE1 HIS A 184 17.914 -12.373 -12.172 1.00 0.00 C flip ATOM 749 NE2 HIS A 184 16.912 -12.852 -11.434 1.00 0.00 N flip ATOM 0 H HIS A 184 20.007 -12.107 -6.369 1.00 0.00 H new ATOM 0 HA HIS A 184 18.207 -13.825 -7.748 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.430 -11.318 -8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.015 -11.557 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 184 16.480 -13.122 -9.323 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.984 -12.305 -13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 184 16.052 -13.227 -11.835 1.00 0.00 H new ATOM 757 N TRP A 185 21.441 -13.970 -8.489 1.00 0.00 N ATOM 758 CA TRP A 185 22.464 -14.692 -9.225 1.00 0.00 C ATOM 759 C TRP A 185 22.512 -16.165 -8.826 1.00 0.00 C ATOM 760 O TRP A 185 22.495 -17.043 -9.684 1.00 0.00 O ATOM 761 CB TRP A 185 23.829 -14.030 -9.008 1.00 0.00 C ATOM 762 CG TRP A 185 24.902 -14.583 -9.885 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.891 -15.411 -9.505 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.098 -14.377 -11.310 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.684 -15.749 -10.576 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.232 -15.135 -11.729 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.427 -13.629 -12.302 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.664 -15.156 -13.057 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.865 -13.646 -13.639 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.979 -14.415 -14.011 1.00 0.00 C ATOM 0 H TRP A 185 21.808 -13.224 -7.898 1.00 0.00 H new ATOM 0 HA TRP A 185 22.210 -14.650 -10.284 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.738 -12.959 -9.189 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.123 -14.153 -7.966 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.042 -15.763 -8.495 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.494 -16.367 -10.527 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.566 -13.036 -12.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.524 -15.744 -13.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.341 -13.064 -14.383 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.304 -14.430 -15.041 1.00 0.00 H new ATOM 781 N ASN A 186 22.592 -16.429 -7.526 1.00 0.00 N ATOM 782 CA ASN A 186 22.727 -17.780 -7.012 1.00 0.00 C ATOM 783 C ASN A 186 21.457 -18.606 -7.231 1.00 0.00 C ATOM 784 O ASN A 186 21.540 -19.818 -7.409 1.00 0.00 O ATOM 785 CB ASN A 186 23.073 -17.709 -5.523 1.00 0.00 C ATOM 786 CG ASN A 186 23.523 -19.070 -5.002 1.00 0.00 C ATOM 787 OD1 ASN A 186 24.673 -19.462 -5.198 1.00 0.00 O ATOM 788 ND2 ASN A 186 22.617 -19.788 -4.339 1.00 0.00 N ATOM 0 H ASN A 186 22.565 -15.710 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 186 23.526 -18.282 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.863 -16.975 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 186 22.204 -17.369 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 186 22.865 -20.705 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 186 21.676 -19.420 -4.202 1.00 0.00 H new ATOM 795 N SER A 187 20.285 -17.962 -7.200 1.00 0.00 N ATOM 796 CA SER A 187 19.017 -18.673 -7.327 1.00 0.00 C ATOM 797 C SER A 187 18.562 -18.796 -8.786 1.00 0.00 C ATOM 798 O SER A 187 17.878 -19.759 -9.125 1.00 0.00 O ATOM 799 CB SER A 187 17.952 -17.943 -6.507 1.00 0.00 C ATOM 800 OG SER A 187 18.339 -17.910 -5.149 1.00 0.00 O ATOM 0 H SER A 187 20.193 -16.952 -7.088 1.00 0.00 H new ATOM 0 HA SER A 187 19.159 -19.686 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.821 -16.928 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 187 16.991 -18.447 -6.609 1.00 0.00 H new ATOM 0 HG SER A 187 18.750 -17.044 -4.947 1.00 0.00 H new ATOM 806 N THR A 188 18.913 -17.823 -9.642 1.00 0.00 N ATOM 807 CA THR A 188 18.440 -17.811 -11.027 1.00 0.00 C ATOM 808 C THR A 188 19.527 -18.246 -12.008 1.00 0.00 C ATOM 809 O THR A 188 19.429 -19.312 -12.611 1.00 0.00 O ATOM 810 CB THR A 188 17.921 -16.404 -11.374 1.00 0.00 C ATOM 811 OG1 THR A 188 17.170 -15.895 -10.290 1.00 0.00 O ATOM 812 CG2 THR A 188 17.032 -16.472 -12.618 1.00 0.00 C ATOM 0 H THR A 188 19.520 -17.040 -9.397 1.00 0.00 H new ATOM 0 HA THR A 188 17.629 -18.533 -11.118 1.00 0.00 H new ATOM 0 HB THR A 188 18.770 -15.749 -11.571 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.776 -15.500 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.667 -15.474 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.609 -16.860 -13.457 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.185 -17.131 -12.425 1.00 0.00 H new ATOM 820 N MET A 189 20.545 -17.407 -12.185 1.00 0.00 N ATOM 821 CA MET A 189 21.589 -17.647 -13.166 1.00 0.00 C ATOM 822 C MET A 189 22.345 -18.945 -12.881 1.00 0.00 C ATOM 823 O MET A 189 22.531 -19.757 -13.785 1.00 0.00 O ATOM 824 CB MET A 189 22.535 -16.452 -13.160 1.00 0.00 C ATOM 825 CG MET A 189 21.887 -15.267 -13.893 1.00 0.00 C ATOM 826 SD MET A 189 22.510 -14.996 -15.576 1.00 0.00 S ATOM 827 CE MET A 189 21.748 -16.402 -16.421 1.00 0.00 C ATOM 0 H MET A 189 20.665 -16.546 -11.652 1.00 0.00 H new ATOM 0 HA MET A 189 21.138 -17.761 -14.152 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.772 -16.170 -12.134 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.475 -16.719 -13.643 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.810 -15.429 -13.939 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.049 -14.361 -13.308 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.816 -16.259 -17.499 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.268 -17.319 -16.143 1.00 0.00 H new ATOM 0 HE3 MET A 189 20.700 -16.477 -16.131 1.00 0.00 H new