USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 182 LYS NZ :NH3+ 158:sc= 1.15 (180deg=-0.224) USER MOD Set 1.2: A 186 ASN : amide:sc= -0.716 K(o=0.43,f=-8.2!) USER MOD Set 2.1: A 184 HIS : no HE2:sc= -0.184 K(o=0.5,f=-0.41) USER MOD Set 2.2: A 188 THR OG1 : rot 85:sc= 0.684 USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.161 K(o=0.09,f=-3) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.251 X(o=0.09,f=0.1) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0827 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.768 K(o=0.77,f=-4.6!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.11) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.3) USER MOD Single : A 187 SER OG : rot 81:sc= 0.732 USER MOD Single : A 189 MET CE :methyl 170:sc= -0.23 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.225 -9.376 -12.548 1.00 0.00 N ATOM 89 CA TRP A 147 14.377 -9.233 -13.423 1.00 0.00 C ATOM 90 C TRP A 147 14.002 -9.613 -14.854 1.00 0.00 C ATOM 91 O TRP A 147 13.259 -10.571 -15.067 1.00 0.00 O ATOM 92 CB TRP A 147 15.504 -10.130 -12.910 1.00 0.00 C ATOM 93 CG TRP A 147 16.243 -9.581 -11.732 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.014 -9.883 -10.442 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.340 -8.627 -11.716 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.879 -9.200 -9.619 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.730 -8.402 -10.358 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.048 -7.922 -12.709 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.768 -7.534 -10.013 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.090 -7.039 -12.366 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.451 -6.850 -11.024 1.00 0.00 C ATOM 0 HA TRP A 147 14.711 -8.196 -13.424 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.086 -11.100 -12.641 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.213 -10.302 -13.720 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.254 -10.569 -10.098 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.890 -9.273 -8.602 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.788 -8.061 -13.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.040 -7.392 -8.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.615 -6.503 -13.143 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.256 -6.176 -10.771 1.00 0.00 H new ATOM 112 N THR A 148 14.521 -8.859 -15.833 1.00 0.00 N ATOM 113 CA THR A 148 14.252 -9.120 -17.241 1.00 0.00 C ATOM 114 C THR A 148 15.424 -9.884 -17.854 1.00 0.00 C ATOM 115 O THR A 148 16.545 -9.814 -17.352 1.00 0.00 O ATOM 116 CB THR A 148 14.030 -7.795 -17.982 1.00 0.00 C ATOM 117 OG1 THR A 148 15.251 -7.094 -18.076 1.00 0.00 O ATOM 118 CG2 THR A 148 13.006 -6.940 -17.230 1.00 0.00 C ATOM 0 H THR A 148 15.133 -8.060 -15.667 1.00 0.00 H new ATOM 0 HA THR A 148 13.351 -9.726 -17.333 1.00 0.00 H new ATOM 0 HB THR A 148 13.654 -8.006 -18.983 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.107 -6.249 -18.551 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.854 -6.001 -17.763 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.060 -7.478 -17.166 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.374 -6.732 -16.225 1.00 0.00 H new ATOM 126 N GLU A 149 15.164 -10.609 -18.949 1.00 0.00 N ATOM 127 CA GLU A 149 16.203 -11.366 -19.631 1.00 0.00 C ATOM 128 C GLU A 149 17.298 -10.420 -20.136 1.00 0.00 C ATOM 129 O GLU A 149 18.443 -10.831 -20.298 1.00 0.00 O ATOM 130 CB GLU A 149 15.592 -12.170 -20.789 1.00 0.00 C ATOM 131 CG GLU A 149 14.792 -11.255 -21.728 1.00 0.00 C ATOM 132 CD GLU A 149 14.557 -11.938 -23.067 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.539 -12.015 -23.841 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.409 -12.369 -23.293 1.00 0.00 O ATOM 0 H GLU A 149 14.241 -10.683 -19.376 1.00 0.00 H new ATOM 0 HA GLU A 149 16.656 -12.067 -18.930 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.383 -12.669 -21.348 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.941 -12.950 -20.393 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.836 -11.001 -21.270 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.331 -10.320 -21.880 1.00 0.00 H new ATOM 141 N GLU A 150 16.947 -9.152 -20.383 1.00 0.00 N ATOM 142 CA GLU A 150 17.907 -8.170 -20.850 1.00 0.00 C ATOM 143 C GLU A 150 18.898 -7.868 -19.729 1.00 0.00 C ATOM 144 O GLU A 150 20.105 -7.909 -19.941 1.00 0.00 O ATOM 145 CB GLU A 150 17.172 -6.898 -21.300 1.00 0.00 C ATOM 146 CG GLU A 150 17.725 -6.429 -22.651 1.00 0.00 C ATOM 147 CD GLU A 150 19.229 -6.185 -22.577 1.00 0.00 C ATOM 148 OE1 GLU A 150 19.612 -5.205 -21.903 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.966 -6.985 -23.195 1.00 0.00 O ATOM 0 H GLU A 150 16.001 -8.791 -20.264 1.00 0.00 H new ATOM 0 HA GLU A 150 18.457 -8.561 -21.706 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.103 -7.095 -21.383 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.295 -6.113 -20.554 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.513 -7.178 -23.414 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.220 -5.512 -22.955 1.00 0.00 H new ATOM 156 N GLU A 151 18.383 -7.572 -18.531 1.00 0.00 N ATOM 157 CA GLU A 151 19.225 -7.273 -17.384 1.00 0.00 C ATOM 158 C GLU A 151 20.187 -8.438 -17.120 1.00 0.00 C ATOM 159 O GLU A 151 21.350 -8.215 -16.785 1.00 0.00 O ATOM 160 CB GLU A 151 18.344 -7.002 -16.165 1.00 0.00 C ATOM 161 CG GLU A 151 17.618 -5.660 -16.337 1.00 0.00 C ATOM 162 CD GLU A 151 16.597 -5.435 -15.226 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.913 -6.419 -14.863 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.515 -4.280 -14.754 1.00 0.00 O ATOM 0 H GLU A 151 17.382 -7.535 -18.337 1.00 0.00 H new ATOM 0 HA GLU A 151 19.821 -6.384 -17.588 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.618 -7.806 -16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.953 -6.983 -15.261 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.345 -4.848 -16.335 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.117 -5.637 -17.305 1.00 0.00 H new ATOM 171 N ASP A 152 19.705 -9.681 -17.280 1.00 0.00 N ATOM 172 CA ASP A 152 20.543 -10.862 -17.090 1.00 0.00 C ATOM 173 C ASP A 152 21.766 -10.782 -18.011 1.00 0.00 C ATOM 174 O ASP A 152 22.877 -11.107 -17.593 1.00 0.00 O ATOM 175 CB ASP A 152 19.733 -12.134 -17.380 1.00 0.00 C ATOM 176 CG ASP A 152 18.890 -12.550 -16.176 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.236 -11.656 -15.599 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.914 -13.761 -15.859 1.00 0.00 O ATOM 0 H ASP A 152 18.741 -9.887 -17.540 1.00 0.00 H new ATOM 0 HA ASP A 152 20.884 -10.899 -16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.083 -11.965 -18.239 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.411 -12.945 -17.648 1.00 0.00 H new ATOM 183 N ARG A 153 21.563 -10.345 -19.266 1.00 0.00 N ATOM 184 CA ARG A 153 22.657 -10.219 -20.225 1.00 0.00 C ATOM 185 C ARG A 153 23.649 -9.157 -19.745 1.00 0.00 C ATOM 186 O ARG A 153 24.859 -9.361 -19.835 1.00 0.00 O ATOM 187 CB ARG A 153 22.114 -9.852 -21.612 1.00 0.00 C ATOM 188 CG ARG A 153 21.323 -11.023 -22.202 1.00 0.00 C ATOM 189 CD ARG A 153 20.811 -10.638 -23.593 1.00 0.00 C ATOM 190 NE ARG A 153 20.009 -11.719 -24.188 1.00 0.00 N ATOM 191 CZ ARG A 153 18.672 -11.817 -24.048 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.013 -11.004 -23.219 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.992 -12.733 -24.742 1.00 0.00 N ATOM 0 H ARG A 153 20.650 -10.075 -19.633 1.00 0.00 H new ATOM 0 HA ARG A 153 23.172 -11.177 -20.300 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.474 -8.973 -21.538 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.939 -9.591 -22.275 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.956 -11.908 -22.267 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.486 -11.276 -21.551 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.209 -9.732 -23.523 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.656 -10.409 -24.243 1.00 0.00 H new ATOM 0 HE ARG A 153 20.491 -12.432 -24.736 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.521 -10.300 -22.684 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.001 -11.087 -23.121 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.484 -13.359 -25.379 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.980 -12.806 -24.635 1.00 0.00 H new ATOM 207 N ILE A 154 23.141 -8.023 -19.237 1.00 0.00 N ATOM 208 CA ILE A 154 23.998 -6.947 -18.750 1.00 0.00 C ATOM 209 C ILE A 154 24.901 -7.473 -17.634 1.00 0.00 C ATOM 210 O ILE A 154 26.115 -7.267 -17.668 1.00 0.00 O ATOM 211 CB ILE A 154 23.141 -5.769 -18.240 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.222 -5.230 -19.358 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.057 -4.646 -17.736 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.013 -4.941 -20.640 1.00 0.00 C ATOM 0 H ILE A 154 22.142 -7.834 -19.156 1.00 0.00 H new ATOM 0 HA ILE A 154 24.621 -6.588 -19.570 1.00 0.00 H new ATOM 0 HB ILE A 154 22.514 -6.127 -17.423 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.437 -5.957 -19.568 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.730 -4.319 -19.019 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.450 -3.815 -17.376 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.678 -5.021 -16.922 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.695 -4.303 -18.551 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.337 -4.563 -21.407 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.781 -4.195 -20.434 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.484 -5.859 -20.992 1.00 0.00 H new ATOM 226 N ILE A 155 24.310 -8.153 -16.643 1.00 0.00 N ATOM 227 CA ILE A 155 25.072 -8.689 -15.526 1.00 0.00 C ATOM 228 C ILE A 155 26.060 -9.737 -16.034 1.00 0.00 C ATOM 229 O ILE A 155 27.195 -9.764 -15.590 1.00 0.00 O ATOM 230 CB ILE A 155 24.129 -9.293 -14.473 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.188 -8.208 -13.929 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.961 -9.865 -13.313 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.971 -8.859 -13.271 1.00 0.00 C ATOM 0 H ILE A 155 23.308 -8.341 -16.599 1.00 0.00 H new ATOM 0 HA ILE A 155 25.630 -7.881 -15.053 1.00 0.00 H new ATOM 0 HB ILE A 155 23.539 -10.085 -14.934 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.715 -7.586 -13.205 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.868 -7.552 -14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.295 -10.294 -12.564 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.629 -10.639 -13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.550 -9.068 -12.860 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.307 -8.084 -12.887 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.438 -9.461 -14.007 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.299 -9.496 -12.449 1.00 0.00 H new ATOM 245 N TYR A 156 25.628 -10.598 -16.965 1.00 0.00 N ATOM 246 CA TYR A 156 26.489 -11.642 -17.509 1.00 0.00 C ATOM 247 C TYR A 156 27.731 -11.031 -18.155 1.00 0.00 C ATOM 248 O TYR A 156 28.840 -11.477 -17.891 1.00 0.00 O ATOM 249 CB TYR A 156 25.711 -12.478 -18.529 1.00 0.00 C ATOM 250 CG TYR A 156 26.604 -13.383 -19.356 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.345 -14.402 -18.730 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.709 -13.194 -20.747 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.186 -15.229 -19.491 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.551 -14.024 -21.507 1.00 0.00 C ATOM 255 CZ TYR A 156 28.291 -15.041 -20.878 1.00 0.00 C ATOM 256 OH TYR A 156 29.112 -15.844 -21.613 1.00 0.00 O ATOM 0 H TYR A 156 24.685 -10.587 -17.354 1.00 0.00 H new ATOM 0 HA TYR A 156 26.813 -12.290 -16.695 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.972 -13.085 -18.006 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.162 -11.811 -19.194 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.267 -14.548 -17.663 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.143 -12.411 -21.230 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.753 -16.011 -19.009 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.630 -13.881 -22.575 1.00 0.00 H new ATOM 0 HH TYR A 156 29.068 -15.581 -22.556 1.00 0.00 H new ATOM 266 N GLN A 157 27.542 -10.019 -19.006 1.00 0.00 N ATOM 267 CA GLN A 157 28.646 -9.370 -19.703 1.00 0.00 C ATOM 268 C GLN A 157 29.710 -8.906 -18.706 1.00 0.00 C ATOM 269 O GLN A 157 30.889 -9.217 -18.866 1.00 0.00 O ATOM 270 CB GLN A 157 28.091 -8.187 -20.513 1.00 0.00 C ATOM 271 CG GLN A 157 29.229 -7.383 -21.163 1.00 0.00 C ATOM 272 CD GLN A 157 30.122 -8.263 -22.034 1.00 0.00 C ATOM 273 OE1 GLN A 157 31.344 -8.235 -21.898 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.515 -9.040 -22.931 1.00 0.00 N ATOM 0 H GLN A 157 26.625 -9.632 -19.227 1.00 0.00 H new ATOM 0 HA GLN A 157 29.122 -10.077 -20.382 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.414 -8.555 -21.284 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.508 -7.537 -19.861 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.807 -6.581 -21.769 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.831 -6.912 -20.386 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.498 -9.031 -23.009 1.00 0.00 H new ATOM 0 HE22 GLN A 157 30.068 -9.644 -23.540 1.00 0.00 H new ATOM 283 N ALA A 158 29.293 -8.159 -17.682 1.00 0.00 N ATOM 284 CA ALA A 158 30.213 -7.631 -16.686 1.00 0.00 C ATOM 285 C ALA A 158 30.799 -8.761 -15.833 1.00 0.00 C ATOM 286 O ALA A 158 32.008 -8.832 -15.650 1.00 0.00 O ATOM 287 CB ALA A 158 29.467 -6.624 -15.810 1.00 0.00 C ATOM 0 H ALA A 158 28.317 -7.908 -17.525 1.00 0.00 H new ATOM 0 HA ALA A 158 31.044 -7.134 -17.187 1.00 0.00 H new ATOM 0 HB1 ALA A 158 30.147 -6.221 -15.059 1.00 0.00 H new ATOM 0 HB2 ALA A 158 29.089 -5.812 -16.431 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.632 -7.121 -15.315 1.00 0.00 H new ATOM 293 N HIS A 159 29.934 -9.630 -15.309 1.00 0.00 N ATOM 294 CA HIS A 159 30.337 -10.725 -14.433 1.00 0.00 C ATOM 295 C HIS A 159 31.343 -11.654 -15.116 1.00 0.00 C ATOM 296 O HIS A 159 32.273 -12.128 -14.476 1.00 0.00 O ATOM 297 CB HIS A 159 29.086 -11.510 -14.017 1.00 0.00 C ATOM 298 CG HIS A 159 29.395 -12.658 -13.092 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.896 -13.874 -13.542 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.280 -12.806 -11.734 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.051 -14.656 -12.455 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.692 -14.062 -11.317 1.00 0.00 N ATOM 0 H HIS A 159 28.930 -9.592 -15.483 1.00 0.00 H new ATOM 0 HA HIS A 159 30.829 -10.308 -13.554 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.385 -10.834 -13.527 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.590 -11.892 -14.909 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.913 -12.037 -11.070 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.430 -15.666 -12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.715 -14.440 -10.370 1.00 0.00 H new ATOM 310 N LYS A 160 31.151 -11.927 -16.405 1.00 0.00 N ATOM 311 CA LYS A 160 32.016 -12.839 -17.139 1.00 0.00 C ATOM 312 C LYS A 160 33.470 -12.353 -17.120 1.00 0.00 C ATOM 313 O LYS A 160 34.390 -13.170 -17.112 1.00 0.00 O ATOM 314 CB LYS A 160 31.496 -12.965 -18.581 1.00 0.00 C ATOM 315 CG LYS A 160 32.321 -13.989 -19.376 1.00 0.00 C ATOM 316 CD LYS A 160 32.230 -15.371 -18.717 1.00 0.00 C ATOM 317 CE LYS A 160 32.683 -16.445 -19.708 1.00 0.00 C ATOM 318 NZ LYS A 160 32.651 -17.783 -19.089 1.00 0.00 N ATOM 0 H LYS A 160 30.398 -11.525 -16.963 1.00 0.00 H new ATOM 0 HA LYS A 160 31.998 -13.818 -16.661 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.449 -13.267 -18.569 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.542 -11.994 -19.074 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.956 -14.043 -20.402 1.00 0.00 H new ATOM 0 HG3 LYS A 160 33.362 -13.669 -19.424 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.854 -15.400 -17.824 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.206 -15.566 -18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.037 -16.431 -20.586 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.693 -16.224 -20.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.963 -18.493 -19.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.286 -17.800 -18.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.681 -18.001 -18.782 1.00 0.00 H new ATOM 332 N ARG A 161 33.675 -11.031 -17.124 1.00 0.00 N ATOM 333 CA ARG A 161 35.015 -10.452 -17.160 1.00 0.00 C ATOM 334 C ARG A 161 35.508 -10.089 -15.754 1.00 0.00 C ATOM 335 O ARG A 161 36.666 -10.337 -15.424 1.00 0.00 O ATOM 336 CB ARG A 161 34.984 -9.211 -18.057 1.00 0.00 C ATOM 337 CG ARG A 161 34.818 -9.639 -19.521 1.00 0.00 C ATOM 338 CD ARG A 161 34.089 -8.548 -20.307 1.00 0.00 C ATOM 339 NE ARG A 161 34.836 -7.286 -20.284 1.00 0.00 N ATOM 340 CZ ARG A 161 34.398 -6.169 -20.888 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.237 -6.177 -21.558 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.123 -5.044 -20.820 1.00 0.00 N ATOM 0 H ARG A 161 32.923 -10.342 -17.103 1.00 0.00 H new ATOM 0 HA ARG A 161 35.712 -11.187 -17.562 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.162 -8.558 -17.763 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.904 -8.640 -17.937 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.795 -9.828 -19.966 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.258 -10.573 -19.574 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.949 -8.872 -21.338 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.096 -8.393 -19.884 1.00 0.00 H new ATOM 0 HE ARG A 161 35.727 -7.255 -19.788 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.684 -7.033 -21.610 1.00 0.00 H new ATOM 0 HH12 ARG A 161 32.907 -5.328 -22.016 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.006 -5.037 -20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.791 -4.195 -21.278 1.00 0.00 H new ATOM 356 N LEU A 162 34.639 -9.490 -14.935 1.00 0.00 N ATOM 357 CA LEU A 162 35.010 -9.039 -13.597 1.00 0.00 C ATOM 358 C LEU A 162 34.919 -10.184 -12.587 1.00 0.00 C ATOM 359 O LEU A 162 35.841 -10.384 -11.795 1.00 0.00 O ATOM 360 CB LEU A 162 34.084 -7.887 -13.174 1.00 0.00 C ATOM 361 CG LEU A 162 34.196 -6.706 -14.153 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.133 -5.663 -13.804 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.585 -6.064 -14.053 1.00 0.00 C ATOM 0 H LEU A 162 33.666 -9.306 -15.181 1.00 0.00 H new ATOM 0 HA LEU A 162 36.043 -8.691 -13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.053 -8.238 -13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.344 -7.557 -12.168 1.00 0.00 H new ATOM 0 HG LEU A 162 34.045 -7.070 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.207 -4.823 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.143 -6.112 -13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.290 -5.310 -12.785 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.651 -5.229 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.746 -5.702 -13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.346 -6.804 -14.299 1.00 0.00 H new ATOM 375 N GLY A 163 33.801 -10.918 -12.610 1.00 0.00 N ATOM 376 CA GLY A 163 33.548 -12.006 -11.673 1.00 0.00 C ATOM 377 C GLY A 163 32.359 -11.636 -10.793 1.00 0.00 C ATOM 378 O GLY A 163 31.477 -10.898 -11.228 1.00 0.00 O ATOM 0 H GLY A 163 33.048 -10.770 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.343 -12.929 -12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.430 -12.186 -11.058 1.00 0.00 H new ATOM 382 N ASN A 164 32.334 -12.135 -9.550 1.00 0.00 N ATOM 383 CA ASN A 164 31.252 -11.828 -8.613 1.00 0.00 C ATOM 384 C ASN A 164 31.475 -10.441 -8.004 1.00 0.00 C ATOM 385 O ASN A 164 31.312 -10.258 -6.798 1.00 0.00 O ATOM 386 CB ASN A 164 31.202 -12.893 -7.509 1.00 0.00 C ATOM 387 CG ASN A 164 31.049 -14.296 -8.092 1.00 0.00 C ATOM 388 OD1 ASN A 164 29.935 -14.765 -8.299 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.173 -14.967 -8.352 1.00 0.00 N ATOM 0 H ASN A 164 33.052 -12.753 -9.173 1.00 0.00 H new ATOM 0 HA ASN A 164 30.301 -11.830 -9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.113 -12.843 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.369 -12.684 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.126 -15.910 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.079 -14.537 -8.164 1.00 0.00 H new ATOM 396 N ARG A 165 31.854 -9.465 -8.839 1.00 0.00 N ATOM 397 CA ARG A 165 32.125 -8.117 -8.380 1.00 0.00 C ATOM 398 C ARG A 165 30.850 -7.293 -8.405 1.00 0.00 C ATOM 399 O ARG A 165 30.760 -6.315 -9.146 1.00 0.00 O ATOM 400 CB ARG A 165 33.173 -7.466 -9.281 1.00 0.00 C ATOM 401 CG ARG A 165 34.479 -8.257 -9.250 1.00 0.00 C ATOM 402 CD ARG A 165 35.612 -7.329 -9.682 1.00 0.00 C ATOM 403 NE ARG A 165 36.633 -8.035 -10.453 1.00 0.00 N ATOM 404 CZ ARG A 165 37.673 -7.403 -11.019 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.808 -6.073 -10.879 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.573 -8.099 -11.725 1.00 0.00 N ATOM 0 H ARG A 165 31.978 -9.596 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 165 32.502 -8.160 -7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.798 -7.413 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.355 -6.442 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.665 -8.643 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.418 -9.117 -9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.205 -6.514 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.069 -6.880 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 165 36.552 -9.046 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.120 -5.544 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.598 -5.593 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.468 -9.108 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.364 -7.620 -12.156 1.00 0.00 H new ATOM 420 N TRP A 166 29.863 -7.667 -7.594 1.00 0.00 N ATOM 421 CA TRP A 166 28.624 -6.911 -7.530 1.00 0.00 C ATOM 422 C TRP A 166 28.931 -5.502 -7.027 1.00 0.00 C ATOM 423 O TRP A 166 28.193 -4.578 -7.309 1.00 0.00 O ATOM 424 CB TRP A 166 27.607 -7.610 -6.634 1.00 0.00 C ATOM 425 CG TRP A 166 27.779 -9.085 -6.529 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.304 -9.713 -5.479 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.457 -10.134 -7.491 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.342 -11.070 -5.679 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.824 -11.393 -6.919 1.00 0.00 C ATOM 430 CE3 TRP A 166 26.897 -10.162 -8.789 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.642 -12.603 -7.590 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.713 -11.384 -9.472 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.088 -12.600 -8.872 1.00 0.00 C ATOM 0 H TRP A 166 29.900 -8.481 -6.980 1.00 0.00 H new ATOM 0 HA TRP A 166 28.183 -6.847 -8.525 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.667 -7.179 -5.635 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.606 -7.401 -7.012 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.655 -9.218 -4.585 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.702 -11.746 -5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.606 -9.237 -9.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.927 -13.534 -7.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.281 -11.385 -10.462 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.948 -13.530 -9.402 1.00 0.00 H new ATOM 444 N ALA A 167 30.039 -5.338 -6.292 1.00 0.00 N ATOM 445 CA ALA A 167 30.455 -4.033 -5.809 1.00 0.00 C ATOM 446 C ALA A 167 30.689 -3.090 -6.994 1.00 0.00 C ATOM 447 O ALA A 167 30.511 -1.881 -6.862 1.00 0.00 O ATOM 448 CB ALA A 167 31.729 -4.184 -4.978 1.00 0.00 C ATOM 0 H ALA A 167 30.659 -6.102 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 167 29.673 -3.606 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.044 -3.206 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.535 -4.841 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.518 -4.612 -5.596 1.00 0.00 H new ATOM 454 N GLU A 168 31.081 -3.651 -8.151 1.00 0.00 N ATOM 455 CA GLU A 168 31.313 -2.873 -9.360 1.00 0.00 C ATOM 456 C GLU A 168 30.043 -2.864 -10.217 1.00 0.00 C ATOM 457 O GLU A 168 29.580 -1.804 -10.629 1.00 0.00 O ATOM 458 CB GLU A 168 32.487 -3.476 -10.148 1.00 0.00 C ATOM 459 CG GLU A 168 33.793 -3.341 -9.348 1.00 0.00 C ATOM 460 CD GLU A 168 34.993 -3.831 -10.161 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.943 -3.679 -11.400 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.941 -4.351 -9.528 1.00 0.00 O ATOM 0 H GLU A 168 31.243 -4.652 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 168 31.563 -1.847 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.290 -4.527 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.587 -2.970 -11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.943 -2.299 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.718 -3.915 -8.424 1.00 0.00 H new ATOM 469 N ILE A 169 29.484 -4.054 -10.485 1.00 0.00 N ATOM 470 CA ILE A 169 28.285 -4.193 -11.316 1.00 0.00 C ATOM 471 C ILE A 169 27.142 -3.338 -10.754 1.00 0.00 C ATOM 472 O ILE A 169 26.428 -2.681 -11.509 1.00 0.00 O ATOM 473 CB ILE A 169 27.859 -5.674 -11.371 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.012 -6.554 -11.894 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.647 -5.827 -12.299 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.778 -8.014 -11.486 1.00 0.00 C ATOM 0 H ILE A 169 29.849 -4.939 -10.133 1.00 0.00 H new ATOM 0 HA ILE A 169 28.513 -3.847 -12.324 1.00 0.00 H new ATOM 0 HB ILE A 169 27.599 -5.996 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.078 -6.476 -12.979 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.962 -6.202 -11.491 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.347 -6.874 -12.337 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.820 -5.226 -11.920 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.911 -5.489 -13.301 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.596 -8.631 -11.858 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.735 -8.086 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.837 -8.364 -11.910 1.00 0.00 H new ATOM 488 N ALA A 170 26.970 -3.358 -9.428 1.00 0.00 N ATOM 489 CA ALA A 170 25.905 -2.619 -8.760 1.00 0.00 C ATOM 490 C ALA A 170 25.975 -1.128 -9.103 1.00 0.00 C ATOM 491 O ALA A 170 24.944 -0.469 -9.182 1.00 0.00 O ATOM 492 CB ALA A 170 26.003 -2.842 -7.245 1.00 0.00 C ATOM 0 H ALA A 170 27.567 -3.888 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 170 24.941 -2.988 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.208 -2.290 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.901 -3.905 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.970 -2.489 -6.887 1.00 0.00 H new ATOM 498 N LYS A 171 27.186 -0.593 -9.313 1.00 0.00 N ATOM 499 CA LYS A 171 27.349 0.817 -9.660 1.00 0.00 C ATOM 500 C LYS A 171 26.714 1.090 -11.026 1.00 0.00 C ATOM 501 O LYS A 171 26.195 2.180 -11.261 1.00 0.00 O ATOM 502 CB LYS A 171 28.838 1.192 -9.678 1.00 0.00 C ATOM 503 CG LYS A 171 29.494 0.871 -8.327 1.00 0.00 C ATOM 504 CD LYS A 171 28.898 1.755 -7.224 1.00 0.00 C ATOM 505 CE LYS A 171 29.751 1.653 -5.955 1.00 0.00 C ATOM 506 NZ LYS A 171 29.705 0.293 -5.387 1.00 0.00 N ATOM 0 H LYS A 171 28.060 -1.116 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 171 26.849 1.428 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.346 0.647 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.948 2.254 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.343 -0.180 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.570 1.032 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.854 2.791 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.875 1.445 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.783 1.919 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 171 29.395 2.370 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.148 0.295 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.715 -0.015 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.220 -0.361 -6.010 1.00 0.00 H new ATOM 520 N LEU A 172 26.755 0.096 -11.925 1.00 0.00 N ATOM 521 CA LEU A 172 26.180 0.230 -13.258 1.00 0.00 C ATOM 522 C LEU A 172 24.653 0.132 -13.183 1.00 0.00 C ATOM 523 O LEU A 172 23.964 0.568 -14.103 1.00 0.00 O ATOM 524 CB LEU A 172 26.740 -0.864 -14.181 1.00 0.00 C ATOM 525 CG LEU A 172 28.278 -0.883 -14.142 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.791 -1.981 -15.076 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.836 0.470 -14.595 1.00 0.00 C ATOM 0 H LEU A 172 27.184 -0.812 -11.745 1.00 0.00 H new ATOM 0 HA LEU A 172 26.447 1.205 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.353 -1.836 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.400 -0.692 -15.202 1.00 0.00 H new ATOM 0 HG LEU A 172 28.607 -1.078 -13.121 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.881 -1.999 -15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.405 -2.946 -14.749 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.453 -1.781 -16.093 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.925 0.444 -14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.508 0.676 -15.614 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.472 1.254 -13.931 1.00 0.00 H new ATOM 539 N LEU A 173 24.129 -0.440 -12.083 1.00 0.00 N ATOM 540 CA LEU A 173 22.692 -0.593 -11.883 1.00 0.00 C ATOM 541 C LEU A 173 22.284 0.078 -10.563 1.00 0.00 C ATOM 542 O LEU A 173 22.032 -0.615 -9.579 1.00 0.00 O ATOM 543 CB LEU A 173 22.340 -2.090 -11.851 1.00 0.00 C ATOM 544 CG LEU A 173 22.676 -2.762 -13.194 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.551 -4.280 -13.042 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.709 -2.283 -14.283 1.00 0.00 C ATOM 0 H LEU A 173 24.694 -0.805 -11.316 1.00 0.00 H new ATOM 0 HA LEU A 173 22.152 -0.118 -12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.890 -2.580 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.279 -2.214 -11.633 1.00 0.00 H new ATOM 0 HG LEU A 173 23.694 -2.497 -13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.788 -4.761 -13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.244 -4.627 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.532 -4.534 -12.751 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.957 -2.766 -15.228 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.688 -2.540 -14.002 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.793 -1.202 -14.395 1.00 0.00 H new ATOM 558 N PRO A 174 22.214 1.429 -10.535 1.00 0.00 N ATOM 559 CA PRO A 174 21.852 2.171 -9.338 1.00 0.00 C ATOM 560 C PRO A 174 20.465 1.767 -8.830 1.00 0.00 C ATOM 561 O PRO A 174 20.204 1.832 -7.631 1.00 0.00 O ATOM 562 CB PRO A 174 21.890 3.651 -9.733 1.00 0.00 C ATOM 563 CG PRO A 174 22.246 3.709 -11.223 1.00 0.00 C ATOM 564 CD PRO A 174 22.494 2.271 -11.679 1.00 0.00 C ATOM 0 HA PRO A 174 22.542 1.962 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.926 4.124 -9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.628 4.190 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.436 4.161 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.132 4.323 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.849 2.013 -12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.523 2.141 -12.015 1.00 0.00 H new ATOM 572 N GLY A 175 19.575 1.352 -9.743 1.00 0.00 N ATOM 573 CA GLY A 175 18.227 0.936 -9.380 1.00 0.00 C ATOM 574 C GLY A 175 18.257 -0.347 -8.542 1.00 0.00 C ATOM 575 O GLY A 175 17.271 -0.675 -7.884 1.00 0.00 O ATOM 0 H GLY A 175 19.773 1.298 -10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.736 1.731 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.637 0.772 -10.282 1.00 0.00 H new ATOM 579 N ARG A 176 19.388 -1.070 -8.572 1.00 0.00 N ATOM 580 CA ARG A 176 19.554 -2.310 -7.825 1.00 0.00 C ATOM 581 C ARG A 176 20.660 -2.123 -6.780 1.00 0.00 C ATOM 582 O ARG A 176 21.197 -1.025 -6.637 1.00 0.00 O ATOM 583 CB ARG A 176 19.902 -3.445 -8.801 1.00 0.00 C ATOM 584 CG ARG A 176 18.877 -3.509 -9.949 1.00 0.00 C ATOM 585 CD ARG A 176 17.487 -3.886 -9.407 1.00 0.00 C ATOM 586 NE ARG A 176 16.870 -4.963 -10.203 1.00 0.00 N ATOM 587 CZ ARG A 176 16.510 -4.825 -11.493 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.767 -3.690 -12.151 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.893 -5.832 -12.122 1.00 0.00 N ATOM 0 H ARG A 176 20.208 -0.805 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 176 18.630 -2.570 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.901 -3.288 -9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.920 -4.396 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.828 -2.545 -10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.197 -4.242 -10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.575 -4.204 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 176 16.841 -3.008 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 176 16.707 -5.863 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.239 -2.921 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.491 -3.593 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.697 -6.700 -11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.619 -5.731 -13.099 1.00 0.00 H new ATOM 603 N THR A 177 20.998 -3.195 -6.046 1.00 0.00 N ATOM 604 CA THR A 177 22.029 -3.136 -5.011 1.00 0.00 C ATOM 605 C THR A 177 22.901 -4.389 -5.062 1.00 0.00 C ATOM 606 O THR A 177 22.528 -5.386 -5.676 1.00 0.00 O ATOM 607 CB THR A 177 21.371 -3.001 -3.630 1.00 0.00 C ATOM 608 OG1 THR A 177 20.503 -4.092 -3.409 1.00 0.00 O ATOM 609 CG2 THR A 177 20.579 -1.694 -3.546 1.00 0.00 C ATOM 0 H THR A 177 20.568 -4.113 -6.155 1.00 0.00 H new ATOM 0 HA THR A 177 22.662 -2.267 -5.189 1.00 0.00 H new ATOM 0 HB THR A 177 22.151 -2.993 -2.868 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.086 -4.005 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.118 -1.611 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.251 -0.851 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.803 -1.689 -4.312 1.00 0.00 H new ATOM 617 N ASP A 178 24.067 -4.323 -4.404 1.00 0.00 N ATOM 618 CA ASP A 178 25.015 -5.429 -4.348 1.00 0.00 C ATOM 619 C ASP A 178 24.312 -6.718 -3.912 1.00 0.00 C ATOM 620 O ASP A 178 24.336 -7.716 -4.633 1.00 0.00 O ATOM 621 CB ASP A 178 26.131 -5.053 -3.360 1.00 0.00 C ATOM 622 CG ASP A 178 27.226 -6.114 -3.313 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.913 -7.240 -2.868 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.358 -5.775 -3.720 1.00 0.00 O ATOM 0 H ASP A 178 24.374 -3.494 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 178 25.441 -5.609 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.565 -4.095 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.707 -4.924 -2.364 1.00 0.00 H new ATOM 629 N ASN A 179 23.689 -6.689 -2.728 1.00 0.00 N ATOM 630 CA ASN A 179 23.006 -7.850 -2.174 1.00 0.00 C ATOM 631 C ASN A 179 21.917 -8.349 -3.124 1.00 0.00 C ATOM 632 O ASN A 179 21.814 -9.548 -3.366 1.00 0.00 O ATOM 633 CB ASN A 179 22.399 -7.482 -0.817 1.00 0.00 C ATOM 634 CG ASN A 179 23.490 -7.236 0.221 1.00 0.00 C ATOM 635 OD1 ASN A 179 24.025 -8.179 0.794 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.817 -5.965 0.462 1.00 0.00 N ATOM 0 H ASN A 179 23.648 -5.861 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 179 23.730 -8.654 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.782 -6.589 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.744 -8.284 -0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.540 -5.746 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.344 -5.213 -0.039 1.00 0.00 H new ATOM 643 N ALA A 180 21.100 -7.431 -3.656 1.00 0.00 N ATOM 644 CA ALA A 180 20.008 -7.798 -4.548 1.00 0.00 C ATOM 645 C ALA A 180 20.540 -8.549 -5.769 1.00 0.00 C ATOM 646 O ALA A 180 20.031 -9.616 -6.104 1.00 0.00 O ATOM 647 CB ALA A 180 19.254 -6.540 -4.977 1.00 0.00 C ATOM 0 H ALA A 180 21.180 -6.429 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 180 19.323 -8.460 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.437 -6.815 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.851 -6.040 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.936 -5.867 -5.496 1.00 0.00 H new ATOM 653 N ILE A 181 21.557 -7.990 -6.435 1.00 0.00 N ATOM 654 CA ILE A 181 22.128 -8.602 -7.629 1.00 0.00 C ATOM 655 C ILE A 181 22.752 -9.953 -7.277 1.00 0.00 C ATOM 656 O ILE A 181 22.544 -10.931 -7.991 1.00 0.00 O ATOM 657 CB ILE A 181 23.176 -7.665 -8.249 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.506 -6.357 -8.696 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.807 -8.346 -9.469 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.550 -5.246 -8.800 1.00 0.00 C ATOM 0 H ILE A 181 21.999 -7.112 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 181 21.337 -8.767 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 181 23.943 -7.445 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.017 -6.500 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.731 -6.074 -7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.551 -7.684 -9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.286 -9.275 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.033 -8.564 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.067 -4.322 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.019 -5.095 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.310 -5.528 -9.529 1.00 0.00 H new ATOM 672 N LYS A 182 23.516 -10.006 -6.179 1.00 0.00 N ATOM 673 CA LYS A 182 24.161 -11.237 -5.750 1.00 0.00 C ATOM 674 C LYS A 182 23.115 -12.332 -5.555 1.00 0.00 C ATOM 675 O LYS A 182 23.231 -13.407 -6.131 1.00 0.00 O ATOM 676 CB LYS A 182 24.931 -10.985 -4.449 1.00 0.00 C ATOM 677 CG LYS A 182 25.543 -12.299 -3.948 1.00 0.00 C ATOM 678 CD LYS A 182 26.403 -12.030 -2.710 1.00 0.00 C ATOM 679 CE LYS A 182 26.562 -13.318 -1.894 1.00 0.00 C ATOM 680 NZ LYS A 182 27.050 -14.433 -2.729 1.00 0.00 N ATOM 0 H LYS A 182 23.698 -9.204 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 182 24.864 -11.567 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.716 -10.248 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.262 -10.573 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.753 -13.010 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.150 -12.751 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.382 -11.657 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.941 -11.256 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.258 -13.146 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.604 -13.588 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.494 -15.152 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.251 -14.858 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.749 -14.076 -3.411 1.00 0.00 H new ATOM 694 N ASN A 183 22.097 -12.054 -4.735 1.00 0.00 N ATOM 695 CA ASN A 183 21.043 -13.018 -4.448 1.00 0.00 C ATOM 696 C ASN A 183 20.336 -13.427 -5.739 1.00 0.00 C ATOM 697 O ASN A 183 20.073 -14.610 -5.954 1.00 0.00 O ATOM 698 CB ASN A 183 20.048 -12.403 -3.458 1.00 0.00 C ATOM 699 CG ASN A 183 20.709 -12.117 -2.109 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.788 -12.629 -1.818 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.058 -11.296 -1.286 1.00 0.00 N ATOM 0 H ASN A 183 21.985 -11.160 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 183 21.480 -13.912 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.646 -11.478 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.207 -13.081 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.453 -11.070 -0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.164 -10.893 -1.569 1.00 0.00 H new ATOM 708 N HIS A 184 20.030 -12.445 -6.595 1.00 0.00 N ATOM 709 CA HIS A 184 19.355 -12.697 -7.860 1.00 0.00 C ATOM 710 C HIS A 184 20.160 -13.683 -8.703 1.00 0.00 C ATOM 711 O HIS A 184 19.617 -14.672 -9.170 1.00 0.00 O ATOM 712 CB HIS A 184 19.170 -11.371 -8.605 1.00 0.00 C ATOM 713 CG HIS A 184 19.032 -11.547 -10.096 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.080 -12.378 -10.679 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.723 -11.009 -11.152 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.254 -12.289 -12.014 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.243 -11.468 -12.367 1.00 0.00 N ATOM 0 H HIS A 184 20.244 -11.462 -6.426 1.00 0.00 H new ATOM 0 HA HIS A 184 18.377 -13.138 -7.669 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.284 -10.865 -8.221 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.022 -10.723 -8.399 1.00 0.00 H new ATOM 0 HD1 HIS A 184 17.386 -12.944 -10.192 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.542 -10.312 -11.048 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.650 -12.830 -12.727 1.00 0.00 H new ATOM 725 N TRP A 185 21.447 -13.409 -8.901 1.00 0.00 N ATOM 726 CA TRP A 185 22.297 -14.269 -9.706 1.00 0.00 C ATOM 727 C TRP A 185 22.428 -15.645 -9.054 1.00 0.00 C ATOM 728 O TRP A 185 22.277 -16.664 -9.719 1.00 0.00 O ATOM 729 CB TRP A 185 23.673 -13.614 -9.861 1.00 0.00 C ATOM 730 CG TRP A 185 24.677 -14.417 -10.637 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.327 -15.506 -10.190 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.178 -14.206 -11.991 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.192 -15.991 -11.137 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.144 -15.222 -12.281 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.923 -13.263 -13.008 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.817 -15.291 -13.501 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.599 -13.330 -14.244 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.545 -14.339 -14.487 1.00 0.00 C ATOM 0 H TRP A 185 21.921 -12.594 -8.512 1.00 0.00 H new ATOM 0 HA TRP A 185 21.850 -14.403 -10.691 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.546 -12.649 -10.351 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.078 -13.416 -8.869 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.186 -15.942 -9.212 1.00 0.00 H new ATOM 0 HE1 TRP A 185 26.789 -16.808 -11.012 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.200 -12.479 -12.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.541 -16.072 -13.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.387 -12.599 -15.010 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.062 -14.379 -15.435 1.00 0.00 H new ATOM 749 N ASN A 186 22.725 -15.664 -7.754 1.00 0.00 N ATOM 750 CA ASN A 186 22.948 -16.902 -7.016 1.00 0.00 C ATOM 751 C ASN A 186 21.722 -17.819 -7.081 1.00 0.00 C ATOM 752 O ASN A 186 21.870 -19.033 -7.204 1.00 0.00 O ATOM 753 CB ASN A 186 23.277 -16.568 -5.547 1.00 0.00 C ATOM 754 CG ASN A 186 24.682 -15.967 -5.371 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.176 -15.869 -4.248 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.327 -15.561 -6.465 1.00 0.00 N ATOM 0 H ASN A 186 22.817 -14.822 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 186 23.785 -17.430 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.536 -15.866 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.197 -17.474 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.259 -15.155 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.888 -15.657 -7.381 1.00 0.00 H new ATOM 763 N SER A 187 20.518 -17.245 -6.979 1.00 0.00 N ATOM 764 CA SER A 187 19.287 -18.028 -6.951 1.00 0.00 C ATOM 765 C SER A 187 18.720 -18.252 -8.357 1.00 0.00 C ATOM 766 O SER A 187 18.397 -19.380 -8.720 1.00 0.00 O ATOM 767 CB SER A 187 18.259 -17.300 -6.079 1.00 0.00 C ATOM 768 OG SER A 187 18.850 -16.934 -4.849 1.00 0.00 O ATOM 0 H SER A 187 20.374 -16.237 -6.915 1.00 0.00 H new ATOM 0 HA SER A 187 19.511 -19.010 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.893 -16.413 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.397 -17.944 -5.902 1.00 0.00 H new ATOM 0 HG SER A 187 19.365 -16.108 -4.966 1.00 0.00 H new ATOM 774 N THR A 188 18.577 -17.174 -9.131 1.00 0.00 N ATOM 775 CA THR A 188 17.953 -17.235 -10.449 1.00 0.00 C ATOM 776 C THR A 188 18.923 -17.760 -11.510 1.00 0.00 C ATOM 777 O THR A 188 18.589 -18.695 -12.237 1.00 0.00 O ATOM 778 CB THR A 188 17.450 -15.833 -10.838 1.00 0.00 C ATOM 779 OG1 THR A 188 16.937 -15.172 -9.700 1.00 0.00 O ATOM 780 CG2 THR A 188 16.347 -15.953 -11.892 1.00 0.00 C ATOM 0 H THR A 188 18.889 -16.241 -8.862 1.00 0.00 H new ATOM 0 HA THR A 188 17.115 -17.930 -10.400 1.00 0.00 H new ATOM 0 HB THR A 188 18.283 -15.260 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.670 -14.736 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.994 -14.958 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.742 -16.453 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.518 -16.534 -11.487 1.00 0.00 H new ATOM 788 N MET A 189 20.111 -17.153 -11.618 1.00 0.00 N ATOM 789 CA MET A 189 21.071 -17.531 -12.648 1.00 0.00 C ATOM 790 C MET A 189 21.949 -18.681 -12.147 1.00 0.00 C ATOM 791 O MET A 189 21.487 -19.820 -12.092 1.00 0.00 O ATOM 792 CB MET A 189 21.901 -16.303 -13.053 1.00 0.00 C ATOM 793 CG MET A 189 20.976 -15.228 -13.642 1.00 0.00 C ATOM 794 SD MET A 189 21.828 -13.721 -14.174 1.00 0.00 S ATOM 795 CE MET A 189 22.739 -14.379 -15.592 1.00 0.00 C ATOM 0 H MET A 189 20.425 -16.401 -11.004 1.00 0.00 H new ATOM 0 HA MET A 189 20.547 -17.885 -13.535 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.430 -15.907 -12.186 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.657 -16.588 -13.785 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.444 -15.651 -14.494 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.226 -14.963 -12.897 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.183 -13.556 -16.153 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.527 -15.045 -15.241 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.057 -14.932 -16.238 1.00 0.00 H new ATOM 805 N ARG A 190 23.212 -18.384 -11.787 1.00 0.00 N ATOM 806 CA ARG A 190 24.148 -19.393 -11.299 1.00 0.00 C ATOM 807 C ARG A 190 24.249 -20.549 -12.304 1.00 0.00 C ATOM 808 O ARG A 190 24.371 -21.712 -11.913 1.00 0.00 O ATOM 809 CB ARG A 190 23.679 -19.888 -9.923 1.00 0.00 C ATOM 810 CG ARG A 190 24.805 -20.663 -9.224 1.00 0.00 C ATOM 811 CD ARG A 190 24.225 -21.907 -8.542 1.00 0.00 C ATOM 812 NE ARG A 190 25.287 -22.847 -8.161 1.00 0.00 N ATOM 813 CZ ARG A 190 25.835 -23.728 -9.021 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.505 -23.704 -10.321 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.716 -24.633 -8.575 1.00 0.00 N ATOM 0 H ARG A 190 23.602 -17.443 -11.829 1.00 0.00 H new ATOM 0 HA ARG A 190 25.142 -18.959 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.375 -19.041 -9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.804 -20.528 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.565 -20.954 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.295 -20.027 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.663 -21.611 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.523 -22.400 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 190 25.626 -22.832 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 190 24.835 -23.016 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.924 -24.374 -10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.970 -24.654 -7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.133 -25.301 -9.223 1.00 0.00 H new