USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 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 184 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-1.8) USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 179 ASN : amide:sc= 0.141 K(o=-0.069,f=-1.6) USER MOD Set 2.2: A 183 ASN : amide:sc= -0.211 K(o=-0.069,f=-1.4) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.226 K(o=-0.021,f=-2.9) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.205 X(o=-0.021,f=0.0018) USER MOD Set 4.1: A 156 TYR OH : rot 180:sc= 0.806 USER MOD Set 4.2: A 160 LYS NZ :NH3+ -115:sc= 0.931 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 LYS NZ :NH3+ -159:sc= 0.728 (180deg=0.118) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -163:sc= -1.38 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.872 -8.181 -12.723 1.00 0.00 N ATOM 89 CA TRP A 147 14.831 -8.537 -13.770 1.00 0.00 C ATOM 90 C TRP A 147 14.114 -8.970 -15.054 1.00 0.00 C ATOM 91 O TRP A 147 12.920 -9.265 -15.043 1.00 0.00 O ATOM 92 CB TRP A 147 15.781 -9.632 -13.271 1.00 0.00 C ATOM 93 CG TRP A 147 16.628 -9.225 -12.109 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.390 -9.513 -10.818 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.858 -8.449 -12.112 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.371 -8.988 -10.010 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.315 -8.315 -10.764 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.642 -7.841 -13.117 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.484 -7.623 -10.437 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.819 -7.138 -12.791 1.00 0.00 C ATOM 101 CH2 TRP A 147 20.238 -7.031 -11.458 1.00 0.00 C ATOM 0 HA TRP A 147 15.422 -7.653 -14.009 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.194 -10.506 -12.990 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.431 -9.935 -14.092 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.542 -10.080 -10.463 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.399 -9.082 -8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.335 -7.916 -14.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.803 -7.545 -9.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.403 -6.678 -13.575 1.00 0.00 H new ATOM 0 HH2 TRP A 147 21.143 -6.492 -11.218 1.00 0.00 H new ATOM 112 N THR A 148 14.862 -8.997 -16.166 1.00 0.00 N ATOM 113 CA THR A 148 14.332 -9.390 -17.465 1.00 0.00 C ATOM 114 C THR A 148 15.405 -10.158 -18.229 1.00 0.00 C ATOM 115 O THR A 148 16.581 -10.101 -17.875 1.00 0.00 O ATOM 116 CB THR A 148 13.907 -8.147 -18.264 1.00 0.00 C ATOM 117 OG1 THR A 148 15.042 -7.351 -18.542 1.00 0.00 O ATOM 118 CG2 THR A 148 12.888 -7.323 -17.471 1.00 0.00 C ATOM 0 H THR A 148 15.850 -8.746 -16.183 1.00 0.00 H new ATOM 0 HA THR A 148 13.458 -10.025 -17.322 1.00 0.00 H new ATOM 0 HB THR A 148 13.447 -8.472 -19.198 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.770 -6.560 -19.053 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.598 -6.447 -18.051 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.007 -7.932 -17.268 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.333 -7.003 -16.529 1.00 0.00 H new ATOM 126 N GLU A 149 14.998 -10.869 -19.284 1.00 0.00 N ATOM 127 CA GLU A 149 15.922 -11.633 -20.107 1.00 0.00 C ATOM 128 C GLU A 149 17.006 -10.710 -20.666 1.00 0.00 C ATOM 129 O GLU A 149 18.150 -11.125 -20.836 1.00 0.00 O ATOM 130 CB GLU A 149 15.156 -12.307 -21.254 1.00 0.00 C ATOM 131 CG GLU A 149 13.954 -13.092 -20.709 1.00 0.00 C ATOM 132 CD GLU A 149 12.654 -12.318 -20.917 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.445 -11.342 -20.162 1.00 0.00 O ATOM 134 OE2 GLU A 149 11.898 -12.715 -21.828 1.00 0.00 O ATOM 0 H GLU A 149 14.025 -10.927 -19.585 1.00 0.00 H new ATOM 0 HA GLU A 149 16.397 -12.402 -19.497 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.814 -11.553 -21.963 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.820 -12.979 -21.798 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.890 -14.059 -21.209 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.097 -13.291 -19.647 1.00 0.00 H new ATOM 141 N GLU A 150 16.637 -9.455 -20.955 1.00 0.00 N ATOM 142 CA GLU A 150 17.563 -8.479 -21.500 1.00 0.00 C ATOM 143 C GLU A 150 18.548 -8.025 -20.420 1.00 0.00 C ATOM 144 O GLU A 150 19.755 -8.005 -20.652 1.00 0.00 O ATOM 145 CB GLU A 150 16.767 -7.286 -22.048 1.00 0.00 C ATOM 146 CG GLU A 150 17.675 -6.391 -22.902 1.00 0.00 C ATOM 147 CD GLU A 150 18.083 -7.098 -24.189 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.206 -7.225 -25.070 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.264 -7.506 -24.268 1.00 0.00 O ATOM 0 H GLU A 150 15.692 -9.099 -20.815 1.00 0.00 H new ATOM 0 HA GLU A 150 18.137 -8.928 -22.310 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.929 -7.643 -22.646 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.347 -6.710 -21.223 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.156 -5.463 -23.141 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.565 -6.121 -22.333 1.00 0.00 H new ATOM 156 N GLU A 151 18.031 -7.655 -19.243 1.00 0.00 N ATOM 157 CA GLU A 151 18.863 -7.166 -18.152 1.00 0.00 C ATOM 158 C GLU A 151 19.854 -8.247 -17.701 1.00 0.00 C ATOM 159 O GLU A 151 21.012 -7.943 -17.427 1.00 0.00 O ATOM 160 CB GLU A 151 17.963 -6.722 -16.994 1.00 0.00 C ATOM 161 CG GLU A 151 18.719 -5.732 -16.100 1.00 0.00 C ATOM 162 CD GLU A 151 17.849 -5.250 -14.941 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.644 -5.586 -14.945 1.00 0.00 O ATOM 164 OE2 GLU A 151 18.404 -4.551 -14.067 1.00 0.00 O ATOM 0 H GLU A 151 17.035 -7.687 -19.027 1.00 0.00 H new ATOM 0 HA GLU A 151 19.447 -6.311 -18.494 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.057 -6.257 -17.383 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.651 -7.588 -16.411 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.619 -6.207 -15.708 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.043 -4.877 -16.694 1.00 0.00 H new ATOM 171 N ASP A 152 19.396 -9.505 -17.627 1.00 0.00 N ATOM 172 CA ASP A 152 20.238 -10.625 -17.203 1.00 0.00 C ATOM 173 C ASP A 152 21.542 -10.666 -18.008 1.00 0.00 C ATOM 174 O ASP A 152 22.603 -10.959 -17.455 1.00 0.00 O ATOM 175 CB ASP A 152 19.463 -11.938 -17.380 1.00 0.00 C ATOM 176 CG ASP A 152 18.485 -12.178 -16.230 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.119 -11.182 -15.570 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.122 -13.360 -16.035 1.00 0.00 O ATOM 0 H ASP A 152 18.439 -9.770 -17.858 1.00 0.00 H new ATOM 0 HA ASP A 152 20.497 -10.493 -16.153 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.917 -11.914 -18.323 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.165 -12.770 -17.440 1.00 0.00 H new ATOM 183 N ARG A 153 21.463 -10.379 -19.315 1.00 0.00 N ATOM 184 CA ARG A 153 22.633 -10.408 -20.189 1.00 0.00 C ATOM 185 C ARG A 153 23.697 -9.427 -19.691 1.00 0.00 C ATOM 186 O ARG A 153 24.890 -9.711 -19.784 1.00 0.00 O ATOM 187 CB ARG A 153 22.213 -10.061 -21.621 1.00 0.00 C ATOM 188 CG ARG A 153 21.279 -11.146 -22.167 1.00 0.00 C ATOM 189 CD ARG A 153 20.509 -10.605 -23.371 1.00 0.00 C ATOM 190 NE ARG A 153 19.424 -11.521 -23.748 1.00 0.00 N ATOM 191 CZ ARG A 153 18.402 -11.167 -24.549 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.334 -9.929 -25.052 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.445 -12.057 -24.841 1.00 0.00 N ATOM 0 H ARG A 153 20.595 -10.124 -19.787 1.00 0.00 H new ATOM 0 HA ARG A 153 23.062 -11.410 -20.177 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.710 -9.094 -21.638 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.094 -9.973 -22.257 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.856 -12.024 -22.457 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.583 -11.464 -21.391 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.098 -9.624 -23.135 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.188 -10.472 -24.213 1.00 0.00 H new ATOM 0 HE ARG A 153 19.446 -12.474 -23.384 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.059 -9.247 -24.829 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.557 -9.667 -25.658 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.492 -13.001 -24.457 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.669 -11.791 -25.448 1.00 0.00 H new ATOM 207 N ILE A 154 23.266 -8.276 -19.160 1.00 0.00 N ATOM 208 CA ILE A 154 24.191 -7.272 -18.653 1.00 0.00 C ATOM 209 C ILE A 154 24.958 -7.846 -17.463 1.00 0.00 C ATOM 210 O ILE A 154 26.162 -7.616 -17.331 1.00 0.00 O ATOM 211 CB ILE A 154 23.421 -6.003 -18.243 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.517 -5.512 -19.395 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.417 -4.901 -17.856 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.313 -5.354 -20.696 1.00 0.00 C ATOM 0 H ILE A 154 22.282 -8.023 -19.073 1.00 0.00 H new ATOM 0 HA ILE A 154 24.901 -7.002 -19.435 1.00 0.00 H new ATOM 0 HB ILE A 154 22.787 -6.241 -17.389 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.702 -6.219 -19.548 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.064 -4.558 -19.124 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.871 -4.003 -17.566 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.028 -5.240 -17.020 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.060 -4.676 -18.707 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.650 -5.007 -21.488 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.112 -4.628 -20.548 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.744 -6.315 -20.978 1.00 0.00 H new ATOM 226 N ILE A 155 24.262 -8.600 -16.599 1.00 0.00 N ATOM 227 CA ILE A 155 24.892 -9.207 -15.435 1.00 0.00 C ATOM 228 C ILE A 155 25.939 -10.209 -15.910 1.00 0.00 C ATOM 229 O ILE A 155 27.042 -10.239 -15.385 1.00 0.00 O ATOM 230 CB ILE A 155 23.854 -9.914 -14.537 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.582 -9.065 -14.388 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.472 -10.153 -13.148 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.572 -9.809 -13.514 1.00 0.00 C ATOM 0 H ILE A 155 23.266 -8.799 -16.691 1.00 0.00 H new ATOM 0 HA ILE A 155 25.362 -8.423 -14.841 1.00 0.00 H new ATOM 0 HB ILE A 155 23.581 -10.862 -15.000 1.00 0.00 H new ATOM 0 HG12 ILE A 155 22.826 -8.101 -13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.151 -8.862 -15.368 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.745 -10.652 -12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.359 -10.779 -13.247 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.751 -9.197 -12.704 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.670 -9.207 -13.408 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.320 -10.762 -13.980 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.005 -9.989 -12.530 1.00 0.00 H new ATOM 245 N TYR A 156 25.584 -11.033 -16.909 1.00 0.00 N ATOM 246 CA TYR A 156 26.493 -12.040 -17.439 1.00 0.00 C ATOM 247 C TYR A 156 27.750 -11.383 -18.000 1.00 0.00 C ATOM 248 O TYR A 156 28.858 -11.794 -17.671 1.00 0.00 O ATOM 249 CB TYR A 156 25.787 -12.856 -18.525 1.00 0.00 C ATOM 250 CG TYR A 156 26.671 -13.938 -19.112 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.197 -14.936 -18.276 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.978 -13.942 -20.486 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.026 -15.935 -18.806 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.810 -14.945 -21.017 1.00 0.00 C ATOM 255 CZ TYR A 156 28.333 -15.942 -20.175 1.00 0.00 C ATOM 256 OH TYR A 156 29.143 -16.914 -20.685 1.00 0.00 O ATOM 0 H TYR A 156 24.670 -11.015 -17.361 1.00 0.00 H new ATOM 0 HA TYR A 156 26.789 -12.708 -16.630 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.891 -13.313 -18.105 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.461 -12.187 -19.322 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.962 -14.934 -17.222 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.575 -13.176 -21.132 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.429 -16.700 -18.159 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.047 -14.949 -22.071 1.00 0.00 H new ATOM 0 HH TYR A 156 29.254 -16.775 -21.649 1.00 0.00 H new ATOM 266 N GLN A 157 27.575 -10.370 -18.850 1.00 0.00 N ATOM 267 CA GLN A 157 28.692 -9.680 -19.471 1.00 0.00 C ATOM 268 C GLN A 157 29.619 -9.091 -18.405 1.00 0.00 C ATOM 269 O GLN A 157 30.824 -9.347 -18.418 1.00 0.00 O ATOM 270 CB GLN A 157 28.146 -8.579 -20.386 1.00 0.00 C ATOM 271 CG GLN A 157 29.302 -7.869 -21.099 1.00 0.00 C ATOM 272 CD GLN A 157 28.778 -6.849 -22.103 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.047 -6.954 -23.296 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.028 -5.858 -21.618 1.00 0.00 N ATOM 0 H GLN A 157 26.660 -10.011 -19.122 1.00 0.00 H new ATOM 0 HA GLN A 157 29.276 -10.385 -20.063 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.465 -9.009 -21.120 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.572 -7.860 -19.801 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.936 -7.371 -20.365 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.924 -8.603 -21.611 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.830 -5.810 -20.619 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.653 -5.148 -22.247 1.00 0.00 H new ATOM 283 N ALA A 158 29.057 -8.295 -17.492 1.00 0.00 N ATOM 284 CA ALA A 158 29.837 -7.630 -16.459 1.00 0.00 C ATOM 285 C ALA A 158 30.494 -8.647 -15.520 1.00 0.00 C ATOM 286 O ALA A 158 31.662 -8.497 -15.173 1.00 0.00 O ATOM 287 CB ALA A 158 28.925 -6.685 -15.679 1.00 0.00 C ATOM 0 H ALA A 158 28.057 -8.098 -17.452 1.00 0.00 H new ATOM 0 HA ALA A 158 30.638 -7.059 -16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.501 -6.182 -14.902 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.505 -5.943 -16.357 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.117 -7.255 -15.220 1.00 0.00 H new ATOM 293 N HIS A 159 29.745 -9.671 -15.103 1.00 0.00 N ATOM 294 CA HIS A 159 30.253 -10.678 -14.181 1.00 0.00 C ATOM 295 C HIS A 159 31.380 -11.483 -14.822 1.00 0.00 C ATOM 296 O HIS A 159 32.414 -11.693 -14.205 1.00 0.00 O ATOM 297 CB HIS A 159 29.114 -11.607 -13.757 1.00 0.00 C ATOM 298 CG HIS A 159 29.570 -12.670 -12.793 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.182 -13.849 -13.205 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.521 -12.759 -11.427 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.455 -14.554 -12.089 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.076 -13.942 -10.967 1.00 0.00 N ATOM 0 H HIS A 159 28.779 -9.821 -15.394 1.00 0.00 H new ATOM 0 HA HIS A 159 30.655 -10.175 -13.302 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.321 -11.018 -13.296 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.687 -12.081 -14.641 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.100 -11.999 -10.786 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.935 -15.522 -12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.171 -14.266 -10.004 1.00 0.00 H new ATOM 310 N LYS A 160 31.181 -11.942 -16.055 1.00 0.00 N ATOM 311 CA LYS A 160 32.181 -12.744 -16.740 1.00 0.00 C ATOM 312 C LYS A 160 33.457 -11.928 -16.965 1.00 0.00 C ATOM 313 O LYS A 160 34.549 -12.490 -17.001 1.00 0.00 O ATOM 314 CB LYS A 160 31.603 -13.244 -18.067 1.00 0.00 C ATOM 315 CG LYS A 160 32.576 -14.234 -18.717 1.00 0.00 C ATOM 316 CD LYS A 160 31.793 -15.221 -19.584 1.00 0.00 C ATOM 317 CE LYS A 160 32.756 -16.217 -20.235 1.00 0.00 C ATOM 318 NZ LYS A 160 32.017 -17.334 -20.851 1.00 0.00 N ATOM 0 H LYS A 160 30.334 -11.770 -16.597 1.00 0.00 H new ATOM 0 HA LYS A 160 32.444 -13.604 -16.125 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.640 -13.725 -17.896 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.425 -12.403 -18.737 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.305 -13.698 -19.325 1.00 0.00 H new ATOM 0 HG3 LYS A 160 33.133 -14.770 -17.949 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.062 -15.753 -18.975 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.238 -14.683 -20.352 1.00 0.00 H new ATOM 0 HE2 LYS A 160 33.354 -15.710 -20.992 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.449 -16.602 -19.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.249 -18.219 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.995 -17.155 -20.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.285 -17.418 -21.852 1.00 0.00 H new ATOM 332 N ARG A 161 33.316 -10.606 -17.117 1.00 0.00 N ATOM 333 CA ARG A 161 34.453 -9.730 -17.344 1.00 0.00 C ATOM 334 C ARG A 161 35.179 -9.430 -16.027 1.00 0.00 C ATOM 335 O ARG A 161 36.405 -9.504 -15.971 1.00 0.00 O ATOM 336 CB ARG A 161 33.957 -8.435 -17.999 1.00 0.00 C ATOM 337 CG ARG A 161 35.148 -7.540 -18.354 1.00 0.00 C ATOM 338 CD ARG A 161 34.652 -6.300 -19.099 1.00 0.00 C ATOM 339 NE ARG A 161 35.770 -5.413 -19.442 1.00 0.00 N ATOM 340 CZ ARG A 161 35.610 -4.251 -20.099 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.387 -3.854 -20.478 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.676 -3.489 -20.377 1.00 0.00 N ATOM 0 H ARG A 161 32.417 -10.125 -17.085 1.00 0.00 H new ATOM 0 HA ARG A 161 35.165 -10.222 -18.006 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.385 -8.668 -18.898 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.285 -7.909 -17.321 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.677 -7.245 -17.448 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.857 -8.089 -18.973 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.130 -6.601 -20.007 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.933 -5.763 -18.481 1.00 0.00 H new ATOM 0 HE ARG A 161 36.713 -5.691 -19.169 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.575 -4.434 -20.268 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.269 -2.972 -20.976 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.607 -3.791 -20.090 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.556 -2.607 -20.875 1.00 0.00 H new ATOM 356 N LEU A 162 34.423 -9.077 -14.976 1.00 0.00 N ATOM 357 CA LEU A 162 35.003 -8.704 -13.688 1.00 0.00 C ATOM 358 C LEU A 162 35.019 -9.900 -12.731 1.00 0.00 C ATOM 359 O LEU A 162 36.087 -10.361 -12.334 1.00 0.00 O ATOM 360 CB LEU A 162 34.198 -7.536 -13.086 1.00 0.00 C ATOM 361 CG LEU A 162 34.128 -6.360 -14.076 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.231 -5.268 -13.494 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.529 -5.789 -14.320 1.00 0.00 C ATOM 0 H LEU A 162 33.404 -9.044 -14.999 1.00 0.00 H new ATOM 0 HA LEU A 162 36.035 -8.388 -13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.191 -7.871 -12.839 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.662 -7.208 -12.156 1.00 0.00 H new ATOM 0 HG LEU A 162 33.720 -6.713 -15.023 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.177 -4.432 -14.191 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.231 -5.668 -13.330 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.645 -4.924 -12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.466 -4.958 -15.022 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.948 -5.437 -13.377 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.171 -6.566 -14.734 1.00 0.00 H new ATOM 375 N GLY A 163 33.833 -10.388 -12.359 1.00 0.00 N ATOM 376 CA GLY A 163 33.689 -11.504 -11.432 1.00 0.00 C ATOM 377 C GLY A 163 32.508 -11.228 -10.514 1.00 0.00 C ATOM 378 O GLY A 163 31.534 -10.607 -10.936 1.00 0.00 O ATOM 0 H GLY A 163 32.945 -10.016 -12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.532 -12.433 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.600 -11.629 -10.847 1.00 0.00 H new ATOM 382 N ASN A 164 32.591 -11.666 -9.250 1.00 0.00 N ATOM 383 CA ASN A 164 31.528 -11.413 -8.279 1.00 0.00 C ATOM 384 C ASN A 164 31.670 -9.996 -7.716 1.00 0.00 C ATOM 385 O ASN A 164 31.269 -9.739 -6.582 1.00 0.00 O ATOM 386 CB ASN A 164 31.585 -12.441 -7.143 1.00 0.00 C ATOM 387 CG ASN A 164 31.565 -13.869 -7.680 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.497 -14.439 -7.888 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.746 -14.449 -7.902 1.00 0.00 N ATOM 0 H ASN A 164 33.382 -12.195 -8.881 1.00 0.00 H new ATOM 0 HA ASN A 164 30.564 -11.505 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.489 -12.285 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.739 -12.291 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.786 -15.404 -8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.609 -13.938 -7.715 1.00 0.00 H new ATOM 396 N ARG A 165 32.241 -9.075 -8.509 1.00 0.00 N ATOM 397 CA ARG A 165 32.413 -7.701 -8.091 1.00 0.00 C ATOM 398 C ARG A 165 31.094 -6.967 -8.265 1.00 0.00 C ATOM 399 O ARG A 165 30.971 -6.092 -9.124 1.00 0.00 O ATOM 400 CB ARG A 165 33.517 -7.036 -8.921 1.00 0.00 C ATOM 401 CG ARG A 165 34.892 -7.536 -8.465 1.00 0.00 C ATOM 402 CD ARG A 165 35.993 -6.671 -9.094 1.00 0.00 C ATOM 403 NE ARG A 165 35.853 -5.256 -8.705 1.00 0.00 N ATOM 404 CZ ARG A 165 36.200 -4.781 -7.493 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.769 -5.589 -6.587 1.00 0.00 N ATOM 406 NH2 ARG A 165 35.975 -3.496 -7.190 1.00 0.00 N ATOM 0 H ARG A 165 32.589 -9.273 -9.447 1.00 0.00 H new ATOM 0 HA ARG A 165 32.709 -7.664 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.372 -7.259 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.461 -5.953 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.962 -7.496 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.025 -8.578 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.970 -7.040 -8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.950 -6.757 -10.180 1.00 0.00 H new ATOM 0 HE ARG A 165 35.473 -4.602 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.941 -6.568 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.030 -5.224 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 165 35.541 -2.879 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 165 36.237 -3.135 -6.273 1.00 0.00 H new ATOM 420 N TRP A 166 30.104 -7.325 -7.442 1.00 0.00 N ATOM 421 CA TRP A 166 28.800 -6.698 -7.493 1.00 0.00 C ATOM 422 C TRP A 166 28.936 -5.207 -7.224 1.00 0.00 C ATOM 423 O TRP A 166 28.043 -4.461 -7.540 1.00 0.00 O ATOM 424 CB TRP A 166 27.858 -7.335 -6.472 1.00 0.00 C ATOM 425 CG TRP A 166 28.009 -8.810 -6.306 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.442 -9.412 -5.198 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.737 -9.886 -7.253 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.474 -10.776 -5.353 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.041 -11.132 -6.617 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.266 -9.948 -8.583 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.883 -12.362 -7.261 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.102 -11.189 -9.238 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.411 -12.392 -8.576 1.00 0.00 C ATOM 0 H TRP A 166 30.192 -8.052 -6.732 1.00 0.00 H new ATOM 0 HA TRP A 166 28.378 -6.845 -8.487 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.019 -6.858 -5.505 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.830 -7.121 -6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.730 -8.894 -4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.775 -11.435 -4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.028 -9.034 -9.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.123 -13.281 -6.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.737 -11.215 -10.254 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.284 -13.337 -9.083 1.00 0.00 H new ATOM 444 N ALA A 167 30.064 -4.776 -6.646 1.00 0.00 N ATOM 445 CA ALA A 167 30.304 -3.367 -6.394 1.00 0.00 C ATOM 446 C ALA A 167 30.270 -2.599 -7.714 1.00 0.00 C ATOM 447 O ALA A 167 29.649 -1.545 -7.803 1.00 0.00 O ATOM 448 CB ALA A 167 31.659 -3.200 -5.706 1.00 0.00 C ATOM 0 H ALA A 167 30.821 -5.391 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 167 29.528 -2.968 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.842 -2.143 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.657 -3.744 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.445 -3.594 -6.350 1.00 0.00 H new ATOM 454 N GLU A 168 30.942 -3.133 -8.741 1.00 0.00 N ATOM 455 CA GLU A 168 31.006 -2.487 -10.042 1.00 0.00 C ATOM 456 C GLU A 168 29.653 -2.589 -10.748 1.00 0.00 C ATOM 457 O GLU A 168 29.149 -1.593 -11.265 1.00 0.00 O ATOM 458 CB GLU A 168 32.109 -3.135 -10.890 1.00 0.00 C ATOM 459 CG GLU A 168 33.443 -3.152 -10.123 1.00 0.00 C ATOM 460 CD GLU A 168 33.855 -1.759 -9.659 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.555 -0.794 -10.396 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.467 -1.688 -8.572 1.00 0.00 O ATOM 0 H GLU A 168 31.449 -4.016 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 168 31.243 -1.432 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.822 -4.153 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.227 -2.585 -11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.356 -3.810 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.223 -3.566 -10.762 1.00 0.00 H new ATOM 469 N ILE A 169 29.065 -3.791 -10.772 1.00 0.00 N ATOM 470 CA ILE A 169 27.772 -3.998 -11.422 1.00 0.00 C ATOM 471 C ILE A 169 26.703 -3.134 -10.732 1.00 0.00 C ATOM 472 O ILE A 169 25.844 -2.553 -11.395 1.00 0.00 O ATOM 473 CB ILE A 169 27.399 -5.493 -11.378 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.585 -6.336 -11.888 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.170 -5.738 -12.265 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.171 -7.799 -12.065 1.00 0.00 C ATOM 0 H ILE A 169 29.464 -4.629 -10.350 1.00 0.00 H new ATOM 0 HA ILE A 169 27.832 -3.696 -12.468 1.00 0.00 H new ATOM 0 HB ILE A 169 27.168 -5.781 -10.352 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.941 -5.936 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.414 -6.270 -11.184 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.905 -6.795 -12.235 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.333 -5.143 -11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.399 -5.450 -13.291 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.022 -8.377 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 169 27.838 -8.201 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.357 -7.862 -12.788 1.00 0.00 H new ATOM 488 N ALA A 170 26.773 -3.052 -9.402 1.00 0.00 N ATOM 489 CA ALA A 170 25.839 -2.267 -8.606 1.00 0.00 C ATOM 490 C ALA A 170 26.063 -0.776 -8.869 1.00 0.00 C ATOM 491 O ALA A 170 25.108 -0.012 -8.941 1.00 0.00 O ATOM 492 CB ALA A 170 26.020 -2.605 -7.116 1.00 0.00 C ATOM 0 H ALA A 170 27.483 -3.531 -8.849 1.00 0.00 H new ATOM 0 HA ALA A 170 24.815 -2.511 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.321 -2.017 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.828 -3.666 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.040 -2.372 -6.811 1.00 0.00 H new ATOM 498 N LYS A 171 27.329 -0.361 -9.026 1.00 0.00 N ATOM 499 CA LYS A 171 27.648 1.029 -9.332 1.00 0.00 C ATOM 500 C LYS A 171 27.018 1.409 -10.673 1.00 0.00 C ATOM 501 O LYS A 171 26.454 2.493 -10.810 1.00 0.00 O ATOM 502 CB LYS A 171 29.171 1.216 -9.378 1.00 0.00 C ATOM 503 CG LYS A 171 29.704 1.511 -7.972 1.00 0.00 C ATOM 504 CD LYS A 171 31.222 1.273 -7.911 1.00 0.00 C ATOM 505 CE LYS A 171 31.953 2.180 -8.911 1.00 0.00 C ATOM 506 NZ LYS A 171 32.139 1.509 -10.213 1.00 0.00 N ATOM 0 H LYS A 171 28.142 -0.971 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 171 27.245 1.679 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.644 0.318 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.425 2.034 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.480 2.543 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.200 0.874 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.586 1.468 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.441 0.228 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.385 3.100 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.924 2.464 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.914 1.968 -10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.372 0.507 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.262 1.578 -10.768 1.00 0.00 H new ATOM 520 N LEU A 172 27.114 0.508 -11.661 1.00 0.00 N ATOM 521 CA LEU A 172 26.545 0.740 -12.983 1.00 0.00 C ATOM 522 C LEU A 172 25.016 0.748 -12.904 1.00 0.00 C ATOM 523 O LEU A 172 24.369 1.541 -13.587 1.00 0.00 O ATOM 524 CB LEU A 172 27.029 -0.351 -13.947 1.00 0.00 C ATOM 525 CG LEU A 172 28.527 -0.173 -14.247 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.094 -1.485 -14.795 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.725 0.936 -15.287 1.00 0.00 C ATOM 0 H LEU A 172 27.585 -0.391 -11.562 1.00 0.00 H new ATOM 0 HA LEU A 172 26.874 1.711 -13.354 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.853 -1.335 -13.512 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.458 -0.306 -14.874 1.00 0.00 H new ATOM 0 HG LEU A 172 29.045 0.100 -13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.156 -1.361 -15.008 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.962 -2.275 -14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.569 -1.754 -15.711 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.789 1.055 -15.494 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.204 0.669 -16.207 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.323 1.873 -14.901 1.00 0.00 H new ATOM 539 N LEU A 173 24.444 -0.136 -12.070 1.00 0.00 N ATOM 540 CA LEU A 173 22.996 -0.235 -11.894 1.00 0.00 C ATOM 541 C LEU A 173 22.639 0.029 -10.425 1.00 0.00 C ATOM 542 O LEU A 173 22.445 -0.918 -9.667 1.00 0.00 O ATOM 543 CB LEU A 173 22.530 -1.641 -12.310 1.00 0.00 C ATOM 544 CG LEU A 173 22.839 -1.905 -13.794 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.568 -3.379 -14.109 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.951 -1.028 -14.684 1.00 0.00 C ATOM 0 H LEU A 173 24.975 -0.797 -11.503 1.00 0.00 H new ATOM 0 HA LEU A 173 22.496 0.506 -12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.025 -2.390 -11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.459 -1.740 -12.134 1.00 0.00 H new ATOM 0 HG LEU A 173 23.885 -1.666 -13.989 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.785 -3.572 -15.159 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.204 -4.007 -13.485 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.522 -3.608 -13.907 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.179 -1.224 -15.732 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.903 -1.258 -14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.138 0.023 -14.462 1.00 0.00 H new ATOM 558 N PRO A 174 22.553 1.316 -10.012 1.00 0.00 N ATOM 559 CA PRO A 174 22.253 1.685 -8.637 1.00 0.00 C ATOM 560 C PRO A 174 20.964 1.025 -8.141 1.00 0.00 C ATOM 561 O PRO A 174 20.880 0.630 -6.979 1.00 0.00 O ATOM 562 CB PRO A 174 22.139 3.212 -8.627 1.00 0.00 C ATOM 563 CG PRO A 174 22.535 3.699 -10.026 1.00 0.00 C ATOM 564 CD PRO A 174 22.755 2.454 -10.886 1.00 0.00 C ATOM 0 HA PRO A 174 23.035 1.341 -7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.122 3.521 -8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.793 3.643 -7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.753 4.328 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.441 4.303 -9.982 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.057 2.431 -11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.760 2.446 -11.309 1.00 0.00 H new ATOM 572 N GLY A 175 19.961 0.908 -9.022 1.00 0.00 N ATOM 573 CA GLY A 175 18.689 0.292 -8.669 1.00 0.00 C ATOM 574 C GLY A 175 18.901 -1.139 -8.170 1.00 0.00 C ATOM 575 O GLY A 175 18.153 -1.616 -7.318 1.00 0.00 O ATOM 0 H GLY A 175 20.013 1.236 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.195 0.882 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.029 0.286 -9.536 1.00 0.00 H new ATOM 579 N ARG A 176 19.924 -1.819 -8.706 1.00 0.00 N ATOM 580 CA ARG A 176 20.241 -3.185 -8.324 1.00 0.00 C ATOM 581 C ARG A 176 21.382 -3.163 -7.303 1.00 0.00 C ATOM 582 O ARG A 176 22.548 -3.076 -7.676 1.00 0.00 O ATOM 583 CB ARG A 176 20.645 -3.986 -9.573 1.00 0.00 C ATOM 584 CG ARG A 176 19.627 -3.788 -10.711 1.00 0.00 C ATOM 585 CD ARG A 176 18.249 -4.318 -10.301 1.00 0.00 C ATOM 586 NE ARG A 176 17.423 -4.579 -11.489 1.00 0.00 N ATOM 587 CZ ARG A 176 16.104 -4.832 -11.434 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.476 -4.899 -10.254 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.412 -5.019 -12.562 1.00 0.00 N ATOM 0 H ARG A 176 20.548 -1.431 -9.414 1.00 0.00 H new ATOM 0 HA ARG A 176 19.371 -3.663 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.634 -3.671 -9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.715 -5.045 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.555 -2.730 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.970 -4.306 -11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.363 -5.234 -9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.751 -3.593 -9.657 1.00 0.00 H new ATOM 0 HE ARG A 176 17.875 -4.567 -12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.998 -4.758 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.475 -5.091 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.885 -4.970 -13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.411 -5.211 -12.520 1.00 0.00 H new ATOM 603 N THR A 177 21.045 -3.237 -6.011 1.00 0.00 N ATOM 604 CA THR A 177 22.046 -3.208 -4.951 1.00 0.00 C ATOM 605 C THR A 177 22.917 -4.465 -5.010 1.00 0.00 C ATOM 606 O THR A 177 22.511 -5.480 -5.574 1.00 0.00 O ATOM 607 CB THR A 177 21.345 -3.102 -3.592 1.00 0.00 C ATOM 608 OG1 THR A 177 20.441 -4.178 -3.439 1.00 0.00 O ATOM 609 CG2 THR A 177 20.582 -1.778 -3.502 1.00 0.00 C ATOM 0 H THR A 177 20.084 -3.317 -5.679 1.00 0.00 H new ATOM 0 HA THR A 177 22.692 -2.340 -5.087 1.00 0.00 H new ATOM 0 HB THR A 177 22.094 -3.140 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.995 -4.109 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.086 -1.709 -2.534 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.280 -0.948 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.836 -1.733 -4.296 1.00 0.00 H new ATOM 617 N ASP A 178 24.118 -4.390 -4.416 1.00 0.00 N ATOM 618 CA ASP A 178 25.051 -5.511 -4.380 1.00 0.00 C ATOM 619 C ASP A 178 24.330 -6.787 -3.958 1.00 0.00 C ATOM 620 O ASP A 178 24.439 -7.815 -4.623 1.00 0.00 O ATOM 621 CB ASP A 178 26.177 -5.201 -3.388 1.00 0.00 C ATOM 622 CG ASP A 178 27.028 -4.033 -3.861 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.472 -2.914 -3.929 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.219 -4.280 -4.140 1.00 0.00 O ATOM 0 H ASP A 178 24.463 -3.550 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 178 25.469 -5.659 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.750 -4.970 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.805 -6.083 -3.261 1.00 0.00 H new ATOM 629 N ASN A 179 23.598 -6.713 -2.842 1.00 0.00 N ATOM 630 CA ASN A 179 22.876 -7.855 -2.308 1.00 0.00 C ATOM 631 C ASN A 179 21.857 -8.371 -3.325 1.00 0.00 C ATOM 632 O ASN A 179 21.761 -9.573 -3.539 1.00 0.00 O ATOM 633 CB ASN A 179 22.184 -7.450 -1.004 1.00 0.00 C ATOM 634 CG ASN A 179 21.512 -8.651 -0.347 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.290 -8.707 -0.251 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.314 -9.614 0.108 1.00 0.00 N ATOM 0 H ASN A 179 23.494 -5.861 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 179 23.579 -8.662 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.914 -7.018 -0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.441 -6.679 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.916 -10.439 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.325 -9.526 0.007 1.00 0.00 H new ATOM 643 N ALA A 180 21.095 -7.463 -3.949 1.00 0.00 N ATOM 644 CA ALA A 180 20.078 -7.847 -4.920 1.00 0.00 C ATOM 645 C ALA A 180 20.706 -8.635 -6.072 1.00 0.00 C ATOM 646 O ALA A 180 20.198 -9.692 -6.444 1.00 0.00 O ATOM 647 CB ALA A 180 19.369 -6.596 -5.444 1.00 0.00 C ATOM 0 H ALA A 180 21.169 -6.458 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 180 19.345 -8.490 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.609 -6.886 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.897 -6.071 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.096 -5.939 -5.922 1.00 0.00 H new ATOM 653 N ILE A 181 21.808 -8.122 -6.636 1.00 0.00 N ATOM 654 CA ILE A 181 22.483 -8.781 -7.749 1.00 0.00 C ATOM 655 C ILE A 181 23.029 -10.134 -7.294 1.00 0.00 C ATOM 656 O ILE A 181 22.805 -11.148 -7.953 1.00 0.00 O ATOM 657 CB ILE A 181 23.625 -7.895 -8.279 1.00 0.00 C ATOM 658 CG1 ILE A 181 23.073 -6.531 -8.719 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.283 -8.586 -9.481 1.00 0.00 C ATOM 660 CD1 ILE A 181 24.225 -5.572 -9.025 1.00 0.00 C ATOM 0 H ILE A 181 22.247 -7.252 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 181 21.767 -8.941 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 181 24.359 -7.745 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.445 -6.652 -9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.442 -6.115 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.093 -7.963 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.683 -9.552 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.541 -8.735 -10.266 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.823 -4.608 -9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.835 -5.440 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.839 -5.984 -9.826 1.00 0.00 H new ATOM 672 N LYS A 182 23.750 -10.140 -6.167 1.00 0.00 N ATOM 673 CA LYS A 182 24.347 -11.352 -5.627 1.00 0.00 C ATOM 674 C LYS A 182 23.280 -12.435 -5.450 1.00 0.00 C ATOM 675 O LYS A 182 23.473 -13.571 -5.882 1.00 0.00 O ATOM 676 CB LYS A 182 25.020 -11.017 -4.291 1.00 0.00 C ATOM 677 CG LYS A 182 25.823 -12.219 -3.789 1.00 0.00 C ATOM 678 CD LYS A 182 26.512 -11.859 -2.472 1.00 0.00 C ATOM 679 CE LYS A 182 27.300 -13.066 -1.956 1.00 0.00 C ATOM 680 NZ LYS A 182 27.921 -12.774 -0.651 1.00 0.00 N ATOM 0 H LYS A 182 23.932 -9.305 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 182 25.097 -11.738 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.677 -10.156 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.266 -10.741 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.164 -13.075 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.565 -12.510 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.181 -11.012 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.770 -11.554 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.636 -13.925 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.071 -13.336 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.449 -13.608 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.572 -11.969 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.181 -12.539 0.041 1.00 0.00 H new ATOM 694 N ASN A 183 22.159 -12.080 -4.814 1.00 0.00 N ATOM 695 CA ASN A 183 21.072 -13.018 -4.573 1.00 0.00 C ATOM 696 C ASN A 183 20.514 -13.522 -5.901 1.00 0.00 C ATOM 697 O ASN A 183 20.470 -14.725 -6.134 1.00 0.00 O ATOM 698 CB ASN A 183 19.965 -12.333 -3.760 1.00 0.00 C ATOM 699 CG ASN A 183 20.454 -11.912 -2.376 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.513 -12.341 -1.922 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.674 -11.064 -1.707 1.00 0.00 N ATOM 0 H ASN A 183 21.986 -11.141 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 183 21.453 -13.868 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.606 -11.457 -4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.118 -13.012 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.947 -10.744 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.803 -10.735 -2.124 1.00 0.00 H new ATOM 708 N HIS A 184 20.084 -12.592 -6.765 1.00 0.00 N ATOM 709 CA HIS A 184 19.505 -12.928 -8.061 1.00 0.00 C ATOM 710 C HIS A 184 20.395 -13.919 -8.813 1.00 0.00 C ATOM 711 O HIS A 184 19.915 -14.946 -9.290 1.00 0.00 O ATOM 712 CB HIS A 184 19.321 -11.641 -8.871 1.00 0.00 C ATOM 713 CG HIS A 184 19.074 -11.902 -10.333 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.835 -12.285 -10.834 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.895 -11.847 -11.428 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.984 -12.428 -12.167 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.222 -12.176 -12.592 1.00 0.00 N ATOM 0 H HIS A 184 20.130 -11.590 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 184 18.536 -13.405 -7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.484 -11.076 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.209 -11.019 -8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.941 -11.579 -11.388 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.179 -12.718 -12.826 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.585 -12.216 -13.544 1.00 0.00 H new ATOM 725 N TRP A 185 21.689 -13.612 -8.925 1.00 0.00 N ATOM 726 CA TRP A 185 22.618 -14.474 -9.631 1.00 0.00 C ATOM 727 C TRP A 185 22.680 -15.844 -8.960 1.00 0.00 C ATOM 728 O TRP A 185 22.553 -16.864 -9.631 1.00 0.00 O ATOM 729 CB TRP A 185 24.001 -13.825 -9.657 1.00 0.00 C ATOM 730 CG TRP A 185 25.044 -14.607 -10.399 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.678 -15.695 -9.943 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.593 -14.378 -11.726 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.585 -16.164 -10.863 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.581 -15.376 -11.993 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.359 -13.431 -12.734 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.302 -15.416 -13.187 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.081 -13.462 -13.941 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.056 -14.450 -14.166 1.00 0.00 C ATOM 0 H TRP A 185 22.110 -12.770 -8.533 1.00 0.00 H new ATOM 0 HA TRP A 185 22.274 -14.611 -10.656 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.916 -12.837 -10.110 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.338 -13.677 -8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.500 -16.145 -8.978 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.179 -16.982 -10.728 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.612 -12.666 -12.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.042 -16.185 -13.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.885 -12.721 -14.701 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.612 -14.462 -15.092 1.00 0.00 H new ATOM 749 N ASN A 186 22.885 -15.865 -7.635 1.00 0.00 N ATOM 750 CA ASN A 186 23.010 -17.113 -6.890 1.00 0.00 C ATOM 751 C ASN A 186 21.643 -17.593 -6.392 1.00 0.00 C ATOM 752 O ASN A 186 21.513 -17.998 -5.237 1.00 0.00 O ATOM 753 CB ASN A 186 23.974 -16.904 -5.716 1.00 0.00 C ATOM 754 CG ASN A 186 25.381 -16.590 -6.213 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.162 -17.498 -6.482 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.704 -15.302 -6.337 1.00 0.00 N ATOM 0 H ASN A 186 22.967 -15.026 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 186 23.407 -17.885 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.616 -16.088 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.995 -17.799 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.632 -15.039 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.023 -14.580 -6.102 1.00 0.00 H new ATOM 763 N SER A 187 20.624 -17.561 -7.262 1.00 0.00 N ATOM 764 CA SER A 187 19.289 -18.023 -6.900 1.00 0.00 C ATOM 765 C SER A 187 18.435 -18.185 -8.156 1.00 0.00 C ATOM 766 O SER A 187 17.963 -19.283 -8.450 1.00 0.00 O ATOM 767 CB SER A 187 18.634 -17.030 -5.931 1.00 0.00 C ATOM 768 OG SER A 187 17.412 -17.562 -5.465 1.00 0.00 O ATOM 0 H SER A 187 20.705 -17.219 -8.220 1.00 0.00 H new ATOM 0 HA SER A 187 19.369 -18.991 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.300 -16.832 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.461 -16.078 -6.432 1.00 0.00 H new ATOM 0 HG SER A 187 16.995 -16.928 -4.845 1.00 0.00 H new ATOM 774 N THR A 188 18.236 -17.089 -8.890 1.00 0.00 N ATOM 775 CA THR A 188 17.408 -17.092 -10.082 1.00 0.00 C ATOM 776 C THR A 188 18.182 -17.665 -11.267 1.00 0.00 C ATOM 777 O THR A 188 17.645 -18.479 -12.014 1.00 0.00 O ATOM 778 CB THR A 188 16.956 -15.655 -10.380 1.00 0.00 C ATOM 779 OG1 THR A 188 16.482 -15.052 -9.194 1.00 0.00 O ATOM 780 CG2 THR A 188 15.838 -15.665 -11.425 1.00 0.00 C ATOM 0 H THR A 188 18.646 -16.181 -8.670 1.00 0.00 H new ATOM 0 HA THR A 188 16.533 -17.721 -9.916 1.00 0.00 H new ATOM 0 HB THR A 188 17.804 -15.089 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.196 -14.135 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.523 -14.642 -11.631 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.203 -16.124 -12.344 1.00 0.00 H new ATOM 0 HG23 THR A 188 14.991 -16.236 -11.046 1.00 0.00 H new ATOM 788 N MET A 189 19.438 -17.231 -11.448 1.00 0.00 N ATOM 789 CA MET A 189 20.242 -17.674 -12.577 1.00 0.00 C ATOM 790 C MET A 189 21.034 -18.936 -12.223 1.00 0.00 C ATOM 791 O MET A 189 20.570 -20.041 -12.496 1.00 0.00 O ATOM 792 CB MET A 189 21.165 -16.536 -13.032 1.00 0.00 C ATOM 793 CG MET A 189 20.321 -15.347 -13.507 1.00 0.00 C ATOM 794 SD MET A 189 21.050 -14.428 -14.888 1.00 0.00 S ATOM 795 CE MET A 189 22.606 -13.928 -14.117 1.00 0.00 C ATOM 0 H MET A 189 19.910 -16.576 -10.825 1.00 0.00 H new ATOM 0 HA MET A 189 19.582 -17.933 -13.405 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.813 -16.230 -12.211 1.00 0.00 H new ATOM 0 HB3 MET A 189 21.813 -16.880 -13.838 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.337 -15.709 -13.805 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.170 -14.665 -12.670 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.051 -13.115 -14.690 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.416 -13.592 -13.098 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.291 -14.776 -14.097 1.00 0.00 H new ATOM 805 N ARG A 190 22.234 -18.768 -11.632 1.00 0.00 N ATOM 806 CA ARG A 190 23.123 -19.887 -11.300 1.00 0.00 C ATOM 807 C ARG A 190 23.488 -20.666 -12.575 1.00 0.00 C ATOM 808 O ARG A 190 23.017 -20.333 -13.663 1.00 0.00 O ATOM 809 CB ARG A 190 22.465 -20.803 -10.255 1.00 0.00 C ATOM 810 CG ARG A 190 22.495 -20.130 -8.884 1.00 0.00 C ATOM 811 CD ARG A 190 21.832 -21.039 -7.849 1.00 0.00 C ATOM 812 NE ARG A 190 20.376 -21.075 -8.037 1.00 0.00 N ATOM 813 CZ ARG A 190 19.567 -21.915 -7.369 1.00 0.00 C ATOM 814 NH1 ARG A 190 20.082 -22.824 -6.530 1.00 0.00 N ATOM 815 NH2 ARG A 190 18.244 -21.840 -7.543 1.00 0.00 N ATOM 0 H ARG A 190 22.608 -17.855 -11.374 1.00 0.00 H new ATOM 0 HA ARG A 190 24.043 -19.495 -10.866 1.00 0.00 H new ATOM 0 HB2 ARG A 190 21.436 -21.017 -10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.989 -21.758 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 190 23.525 -19.922 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 190 21.976 -19.172 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.238 -22.047 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 190 22.064 -20.683 -6.845 1.00 0.00 H new ATOM 0 HE ARG A 190 19.958 -20.430 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 190 21.092 -22.880 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 190 19.464 -23.460 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 190 17.852 -21.147 -8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 190 17.626 -22.476 -7.038 1.00 0.00 H new