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 184 HIS : no HD1:sc= -0.239 X(o=-0.23,f=-0.48) USER MOD Set 1.2: A 188 THR OG1 : rot 135:sc= 0.0113 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.151 K(o=-0.043,f=-4.7!) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.108 X(o=-0.043,f=-0.2) USER MOD Set 3.1: A 156 TYR OH : rot 150:sc= 0.667 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 161:sc= 0.797 (180deg=0.158) USER MOD Single : A 148 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 157 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.22) USER MOD Single : A 171 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.298) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 179 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -149:sc=-1.12e-05 (180deg=-1.98!) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.7!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -178:sc= -0.385 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.223 -9.361 -12.761 1.00 0.00 N ATOM 89 CA TRP A 147 14.432 -9.352 -13.568 1.00 0.00 C ATOM 90 C TRP A 147 14.079 -9.625 -15.029 1.00 0.00 C ATOM 91 O TRP A 147 13.308 -10.540 -15.318 1.00 0.00 O ATOM 92 CB TRP A 147 15.395 -10.413 -13.033 1.00 0.00 C ATOM 93 CG TRP A 147 16.227 -9.962 -11.875 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.153 -10.428 -10.616 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.275 -8.954 -11.851 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.074 -9.804 -9.807 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.807 -8.879 -10.526 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.837 -8.092 -12.814 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.847 -8.009 -10.186 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.881 -7.210 -12.474 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.391 -7.177 -11.172 1.00 0.00 C ATOM 0 HA TRP A 147 14.913 -8.376 -13.511 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.821 -11.290 -12.733 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.057 -10.726 -13.840 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.463 -11.190 -10.284 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.199 -9.997 -8.813 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.462 -8.108 -13.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.226 -7.979 -9.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.292 -6.553 -13.226 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.204 -6.510 -10.927 1.00 0.00 H new ATOM 112 N THR A 148 14.647 -8.828 -15.946 1.00 0.00 N ATOM 113 CA THR A 148 14.399 -8.979 -17.376 1.00 0.00 C ATOM 114 C THR A 148 15.606 -9.633 -18.052 1.00 0.00 C ATOM 115 O THR A 148 16.707 -9.634 -17.502 1.00 0.00 O ATOM 116 CB THR A 148 14.119 -7.603 -17.994 1.00 0.00 C ATOM 117 OG1 THR A 148 15.248 -6.772 -17.835 1.00 0.00 O ATOM 118 CG2 THR A 148 12.910 -6.958 -17.310 1.00 0.00 C ATOM 0 H THR A 148 15.286 -8.068 -15.713 1.00 0.00 H new ATOM 0 HA THR A 148 13.531 -9.620 -17.527 1.00 0.00 H new ATOM 0 HB THR A 148 13.906 -7.728 -19.056 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.336 -6.516 -16.893 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.718 -5.982 -17.755 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.035 -7.595 -17.441 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.115 -6.838 -16.246 1.00 0.00 H new ATOM 126 N GLU A 149 15.392 -10.185 -19.255 1.00 0.00 N ATOM 127 CA GLU A 149 16.453 -10.835 -20.011 1.00 0.00 C ATOM 128 C GLU A 149 17.617 -9.871 -20.226 1.00 0.00 C ATOM 129 O GLU A 149 18.769 -10.239 -20.024 1.00 0.00 O ATOM 130 CB GLU A 149 15.911 -11.298 -21.365 1.00 0.00 C ATOM 131 CG GLU A 149 14.956 -12.478 -21.180 1.00 0.00 C ATOM 132 CD GLU A 149 14.574 -13.073 -22.531 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.495 -13.208 -23.372 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.376 -13.379 -22.700 1.00 0.00 O ATOM 0 H GLU A 149 14.485 -10.190 -19.721 1.00 0.00 H new ATOM 0 HA GLU A 149 16.809 -11.697 -19.448 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.392 -10.475 -21.857 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.737 -11.588 -22.015 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.427 -13.241 -20.560 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.060 -12.149 -20.654 1.00 0.00 H new ATOM 141 N GLU A 150 17.310 -8.637 -20.645 1.00 0.00 N ATOM 142 CA GLU A 150 18.330 -7.633 -20.903 1.00 0.00 C ATOM 143 C GLU A 150 19.240 -7.495 -19.684 1.00 0.00 C ATOM 144 O GLU A 150 20.460 -7.550 -19.810 1.00 0.00 O ATOM 145 CB GLU A 150 17.651 -6.298 -21.240 1.00 0.00 C ATOM 146 CG GLU A 150 18.697 -5.276 -21.704 1.00 0.00 C ATOM 147 CD GLU A 150 19.385 -5.735 -22.985 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.688 -5.769 -24.022 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.593 -6.046 -22.903 1.00 0.00 O ATOM 0 H GLU A 150 16.356 -8.316 -20.811 1.00 0.00 H new ATOM 0 HA GLU A 150 18.945 -7.935 -21.751 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.906 -6.447 -22.021 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.124 -5.918 -20.365 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.218 -4.311 -21.871 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.441 -5.131 -20.920 1.00 0.00 H new ATOM 156 N GLU A 151 18.644 -7.321 -18.503 1.00 0.00 N ATOM 157 CA GLU A 151 19.401 -7.181 -17.273 1.00 0.00 C ATOM 158 C GLU A 151 20.302 -8.398 -17.061 1.00 0.00 C ATOM 159 O GLU A 151 21.484 -8.247 -16.764 1.00 0.00 O ATOM 160 CB GLU A 151 18.439 -7.031 -16.103 1.00 0.00 C ATOM 161 CG GLU A 151 17.799 -5.642 -16.119 1.00 0.00 C ATOM 162 CD GLU A 151 16.727 -5.539 -15.044 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.725 -6.280 -15.163 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.924 -4.726 -14.116 1.00 0.00 O ATOM 0 H GLU A 151 17.633 -7.274 -18.380 1.00 0.00 H new ATOM 0 HA GLU A 151 20.031 -6.294 -17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.665 -7.796 -16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.971 -7.183 -15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.562 -4.881 -15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.361 -5.448 -17.098 1.00 0.00 H new ATOM 171 N ASP A 152 19.743 -9.604 -17.210 1.00 0.00 N ATOM 172 CA ASP A 152 20.505 -10.834 -17.026 1.00 0.00 C ATOM 173 C ASP A 152 21.716 -10.841 -17.961 1.00 0.00 C ATOM 174 O ASP A 152 22.810 -11.236 -17.558 1.00 0.00 O ATOM 175 CB ASP A 152 19.606 -12.048 -17.295 1.00 0.00 C ATOM 176 CG ASP A 152 18.404 -12.073 -16.353 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.518 -11.476 -15.261 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.392 -12.693 -16.746 1.00 0.00 O ATOM 0 H ASP A 152 18.764 -9.750 -17.458 1.00 0.00 H new ATOM 0 HA ASP A 152 20.862 -10.888 -15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.260 -12.024 -18.328 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.184 -12.964 -17.174 1.00 0.00 H new ATOM 183 N ARG A 153 21.519 -10.398 -19.209 1.00 0.00 N ATOM 184 CA ARG A 153 22.592 -10.345 -20.192 1.00 0.00 C ATOM 185 C ARG A 153 23.652 -9.330 -19.753 1.00 0.00 C ATOM 186 O ARG A 153 24.846 -9.586 -19.898 1.00 0.00 O ATOM 187 CB ARG A 153 22.014 -9.980 -21.565 1.00 0.00 C ATOM 188 CG ARG A 153 21.135 -11.128 -22.080 1.00 0.00 C ATOM 189 CD ARG A 153 20.314 -10.657 -23.286 1.00 0.00 C ATOM 190 NE ARG A 153 19.139 -11.519 -23.499 1.00 0.00 N ATOM 191 CZ ARG A 153 19.217 -12.780 -23.964 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.397 -13.287 -24.348 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.112 -13.534 -24.044 1.00 0.00 N ATOM 0 H ARG A 153 20.618 -10.071 -19.557 1.00 0.00 H new ATOM 0 HA ARG A 153 23.069 -11.322 -20.267 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.427 -9.065 -21.491 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.822 -9.784 -22.270 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.759 -11.976 -22.363 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.470 -11.471 -21.288 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.990 -9.628 -23.129 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.939 -10.662 -24.179 1.00 0.00 H new ATOM 0 HE ARG A 153 18.217 -11.140 -23.283 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.241 -12.717 -24.289 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.451 -14.243 -24.700 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.212 -13.152 -23.753 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.171 -14.489 -24.396 1.00 0.00 H new ATOM 207 N ILE A 154 23.219 -8.179 -19.212 1.00 0.00 N ATOM 208 CA ILE A 154 24.142 -7.149 -18.747 1.00 0.00 C ATOM 209 C ILE A 154 25.015 -7.713 -17.626 1.00 0.00 C ATOM 210 O ILE A 154 26.242 -7.623 -17.688 1.00 0.00 O ATOM 211 CB ILE A 154 23.354 -5.915 -18.255 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.668 -5.212 -19.447 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.303 -4.937 -17.545 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.666 -4.348 -20.229 1.00 0.00 C ATOM 0 H ILE A 154 22.234 -7.945 -19.089 1.00 0.00 H new ATOM 0 HA ILE A 154 24.785 -6.839 -19.571 1.00 0.00 H new ATOM 0 HB ILE A 154 22.589 -6.243 -17.552 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.231 -5.958 -20.110 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.850 -4.590 -19.084 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.740 -4.069 -17.201 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.764 -5.433 -16.691 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.079 -4.614 -18.239 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.155 -3.866 -21.062 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.083 -3.587 -19.570 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.470 -4.977 -20.612 1.00 0.00 H new ATOM 226 N ILE A 155 24.380 -8.293 -16.600 1.00 0.00 N ATOM 227 CA ILE A 155 25.104 -8.851 -15.466 1.00 0.00 C ATOM 228 C ILE A 155 26.036 -9.960 -15.949 1.00 0.00 C ATOM 229 O ILE A 155 27.161 -10.052 -15.487 1.00 0.00 O ATOM 230 CB ILE A 155 24.116 -9.383 -14.411 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.204 -8.246 -13.923 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.898 -9.946 -13.212 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.921 -8.829 -13.331 1.00 0.00 C ATOM 0 H ILE A 155 23.366 -8.385 -16.538 1.00 0.00 H new ATOM 0 HA ILE A 155 25.704 -8.069 -15.000 1.00 0.00 H new ATOM 0 HB ILE A 155 23.508 -10.168 -14.861 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.722 -7.648 -13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.963 -7.580 -14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.198 -10.322 -12.466 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.543 -10.758 -13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.508 -9.157 -12.772 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.278 -8.019 -12.987 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.399 -9.408 -14.093 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.170 -9.477 -12.491 1.00 0.00 H new ATOM 245 N TYR A 156 25.566 -10.802 -16.880 1.00 0.00 N ATOM 246 CA TYR A 156 26.372 -11.899 -17.403 1.00 0.00 C ATOM 247 C TYR A 156 27.636 -11.362 -18.072 1.00 0.00 C ATOM 248 O TYR A 156 28.739 -11.813 -17.764 1.00 0.00 O ATOM 249 CB TYR A 156 25.544 -12.723 -18.394 1.00 0.00 C ATOM 250 CG TYR A 156 26.360 -13.787 -19.099 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.882 -14.867 -18.368 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.615 -13.686 -20.479 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.660 -15.842 -19.010 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.392 -14.664 -21.122 1.00 0.00 C ATOM 255 CZ TYR A 156 27.919 -15.740 -20.386 1.00 0.00 C ATOM 256 OH TYR A 156 28.688 -16.679 -21.009 1.00 0.00 O ATOM 0 H TYR A 156 24.631 -10.739 -17.282 1.00 0.00 H new ATOM 0 HA TYR A 156 26.674 -12.543 -16.577 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.718 -13.197 -17.864 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.106 -12.056 -19.137 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.684 -14.947 -17.309 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.214 -12.857 -21.044 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.060 -16.671 -18.445 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.585 -14.589 -22.182 1.00 0.00 H new ATOM 0 HH TYR A 156 28.407 -16.764 -21.944 1.00 0.00 H new ATOM 266 N GLN A 157 27.472 -10.406 -18.990 1.00 0.00 N ATOM 267 CA GLN A 157 28.592 -9.824 -19.713 1.00 0.00 C ATOM 268 C GLN A 157 29.588 -9.198 -18.735 1.00 0.00 C ATOM 269 O GLN A 157 30.797 -9.361 -18.887 1.00 0.00 O ATOM 270 CB GLN A 157 28.057 -8.775 -20.698 1.00 0.00 C ATOM 271 CG GLN A 157 29.191 -8.251 -21.589 1.00 0.00 C ATOM 272 CD GLN A 157 29.736 -9.352 -22.493 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.783 -9.929 -22.212 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.023 -9.642 -23.581 1.00 0.00 N ATOM 0 H GLN A 157 26.564 -10.020 -19.248 1.00 0.00 H new ATOM 0 HA GLN A 157 29.117 -10.601 -20.268 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.273 -9.213 -21.316 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.605 -7.948 -20.149 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.826 -7.424 -22.198 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.994 -7.857 -20.966 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.159 -9.136 -23.774 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.342 -10.370 -24.221 1.00 0.00 H new ATOM 283 N ALA A 158 29.078 -8.477 -17.734 1.00 0.00 N ATOM 284 CA ALA A 158 29.922 -7.815 -16.753 1.00 0.00 C ATOM 285 C ALA A 158 30.567 -8.835 -15.809 1.00 0.00 C ATOM 286 O ALA A 158 31.692 -8.634 -15.362 1.00 0.00 O ATOM 287 CB ALA A 158 29.078 -6.814 -15.966 1.00 0.00 C ATOM 0 H ALA A 158 28.078 -8.340 -17.586 1.00 0.00 H new ATOM 0 HA ALA A 158 30.726 -7.289 -17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.703 -6.312 -15.227 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.659 -6.075 -16.649 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.269 -7.340 -15.459 1.00 0.00 H new ATOM 293 N HIS A 159 29.854 -9.922 -15.497 1.00 0.00 N ATOM 294 CA HIS A 159 30.346 -10.929 -14.570 1.00 0.00 C ATOM 295 C HIS A 159 31.497 -11.722 -15.183 1.00 0.00 C ATOM 296 O HIS A 159 32.542 -11.859 -14.565 1.00 0.00 O ATOM 297 CB HIS A 159 29.206 -11.868 -14.171 1.00 0.00 C ATOM 298 CG HIS A 159 29.655 -12.915 -13.188 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.318 -14.076 -13.573 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.562 -13.000 -11.824 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.576 -14.766 -12.445 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.140 -14.163 -11.341 1.00 0.00 N ATOM 0 H HIS A 159 28.930 -10.122 -15.879 1.00 0.00 H new ATOM 0 HA HIS A 159 30.723 -10.425 -13.680 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.393 -11.287 -13.735 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.808 -12.354 -15.062 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.095 -12.252 -11.201 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.088 -15.717 -12.437 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.214 -14.480 -10.374 1.00 0.00 H new ATOM 310 N LYS A 160 31.309 -12.257 -16.392 1.00 0.00 N ATOM 311 CA LYS A 160 32.345 -13.061 -17.034 1.00 0.00 C ATOM 312 C LYS A 160 33.589 -12.213 -17.343 1.00 0.00 C ATOM 313 O LYS A 160 34.635 -12.764 -17.677 1.00 0.00 O ATOM 314 CB LYS A 160 31.786 -13.715 -18.304 1.00 0.00 C ATOM 315 CG LYS A 160 31.571 -12.666 -19.401 1.00 0.00 C ATOM 316 CD LYS A 160 30.707 -13.254 -20.523 1.00 0.00 C ATOM 317 CE LYS A 160 31.446 -14.412 -21.207 1.00 0.00 C ATOM 318 NZ LYS A 160 30.666 -14.947 -22.337 1.00 0.00 N ATOM 0 H LYS A 160 30.456 -12.148 -16.940 1.00 0.00 H new ATOM 0 HA LYS A 160 32.653 -13.849 -16.347 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.474 -14.483 -18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.842 -14.212 -18.079 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.088 -11.783 -18.982 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.532 -12.343 -19.801 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.760 -13.607 -20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.471 -12.481 -21.254 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.417 -14.068 -21.562 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.634 -15.205 -20.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.293 -15.486 -22.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.917 -15.572 -21.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.236 -14.161 -22.865 1.00 0.00 H new ATOM 332 N ARG A 161 33.475 -10.880 -17.230 1.00 0.00 N ATOM 333 CA ARG A 161 34.586 -9.978 -17.493 1.00 0.00 C ATOM 334 C ARG A 161 35.267 -9.576 -16.180 1.00 0.00 C ATOM 335 O ARG A 161 36.486 -9.673 -16.060 1.00 0.00 O ATOM 336 CB ARG A 161 34.059 -8.745 -18.235 1.00 0.00 C ATOM 337 CG ARG A 161 35.230 -7.862 -18.677 1.00 0.00 C ATOM 338 CD ARG A 161 34.698 -6.648 -19.440 1.00 0.00 C ATOM 339 NE ARG A 161 35.799 -5.780 -19.875 1.00 0.00 N ATOM 340 CZ ARG A 161 35.607 -4.627 -20.538 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.366 -4.224 -20.845 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.659 -3.878 -20.893 1.00 0.00 N ATOM 0 H ARG A 161 32.613 -10.409 -16.955 1.00 0.00 H new ATOM 0 HA ARG A 161 35.329 -10.479 -18.113 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.477 -9.054 -19.103 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.389 -8.179 -17.587 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.801 -7.536 -17.808 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.910 -8.432 -19.310 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.127 -6.980 -20.307 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.015 -6.085 -18.805 1.00 0.00 H new ATOM 0 HE ARG A 161 36.755 -6.066 -19.664 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.564 -4.793 -20.575 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.224 -3.348 -21.348 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.604 -4.183 -20.660 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.515 -3.003 -21.396 1.00 0.00 H new ATOM 356 N LEU A 162 34.475 -9.112 -15.201 1.00 0.00 N ATOM 357 CA LEU A 162 35.001 -8.650 -13.919 1.00 0.00 C ATOM 358 C LEU A 162 34.994 -9.787 -12.893 1.00 0.00 C ATOM 359 O LEU A 162 36.019 -10.064 -12.270 1.00 0.00 O ATOM 360 CB LEU A 162 34.153 -7.470 -13.414 1.00 0.00 C ATOM 361 CG LEU A 162 34.020 -6.383 -14.498 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.204 -5.215 -13.940 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.403 -5.878 -14.923 1.00 0.00 C ATOM 0 H LEU A 162 33.460 -9.049 -15.280 1.00 0.00 H new ATOM 0 HA LEU A 162 36.032 -8.322 -14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.163 -7.825 -13.127 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.611 -7.044 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 162 33.519 -6.809 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.106 -4.442 -14.703 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.214 -5.568 -13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.710 -4.802 -13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.291 -5.111 -15.689 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.917 -5.456 -14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.986 -6.707 -15.323 1.00 0.00 H new ATOM 375 N GLY A 163 33.834 -10.432 -12.716 1.00 0.00 N ATOM 376 CA GLY A 163 33.667 -11.522 -11.760 1.00 0.00 C ATOM 377 C GLY A 163 32.482 -11.220 -10.851 1.00 0.00 C ATOM 378 O GLY A 163 31.547 -10.534 -11.261 1.00 0.00 O ATOM 0 H GLY A 163 32.985 -10.208 -13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.505 -12.462 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.573 -11.642 -11.167 1.00 0.00 H new ATOM 382 N ASN A 164 32.524 -11.721 -9.610 1.00 0.00 N ATOM 383 CA ASN A 164 31.457 -11.479 -8.641 1.00 0.00 C ATOM 384 C ASN A 164 31.675 -10.125 -7.959 1.00 0.00 C ATOM 385 O ASN A 164 31.365 -9.967 -6.779 1.00 0.00 O ATOM 386 CB ASN A 164 31.439 -12.603 -7.593 1.00 0.00 C ATOM 387 CG ASN A 164 31.271 -13.975 -8.240 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.155 -14.465 -8.377 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.384 -14.598 -8.633 1.00 0.00 N ATOM 0 H ASN A 164 33.288 -12.297 -9.257 1.00 0.00 H new ATOM 0 HA ASN A 164 30.498 -11.465 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.366 -12.582 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.625 -12.431 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.327 -15.519 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.292 -14.153 -8.499 1.00 0.00 H new ATOM 396 N ARG A 165 32.212 -9.146 -8.700 1.00 0.00 N ATOM 397 CA ARG A 165 32.484 -7.827 -8.157 1.00 0.00 C ATOM 398 C ARG A 165 31.224 -6.974 -8.258 1.00 0.00 C ATOM 399 O ARG A 165 31.190 -5.981 -8.988 1.00 0.00 O ATOM 400 CB ARG A 165 33.655 -7.190 -8.915 1.00 0.00 C ATOM 401 CG ARG A 165 34.861 -8.144 -8.908 1.00 0.00 C ATOM 402 CD ARG A 165 36.150 -7.363 -8.633 1.00 0.00 C ATOM 403 NE ARG A 165 36.300 -6.231 -9.557 1.00 0.00 N ATOM 404 CZ ARG A 165 36.780 -6.345 -10.807 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.173 -7.536 -11.281 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.863 -5.259 -11.583 1.00 0.00 N ATOM 0 H ARG A 165 32.465 -9.254 -9.682 1.00 0.00 H new ATOM 0 HA ARG A 165 32.765 -7.902 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.360 -6.970 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.927 -6.242 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.723 -8.912 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.935 -8.656 -9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.143 -6.998 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.008 -8.029 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 165 36.024 -5.305 -9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.109 -8.366 -10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.536 -7.612 -12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.563 -4.352 -11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.226 -5.337 -12.533 1.00 0.00 H new ATOM 420 N TRP A 166 30.182 -7.369 -7.518 1.00 0.00 N ATOM 421 CA TRP A 166 28.914 -6.657 -7.525 1.00 0.00 C ATOM 422 C TRP A 166 29.114 -5.219 -7.061 1.00 0.00 C ATOM 423 O TRP A 166 28.356 -4.348 -7.438 1.00 0.00 O ATOM 424 CB TRP A 166 27.907 -7.367 -6.622 1.00 0.00 C ATOM 425 CG TRP A 166 28.034 -8.851 -6.579 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.495 -9.546 -5.537 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.716 -9.844 -7.600 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.491 -10.894 -5.799 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.014 -11.141 -7.072 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.205 -9.793 -8.918 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.816 -12.311 -7.805 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.005 -10.976 -9.662 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.313 -12.230 -9.105 1.00 0.00 C ATOM 0 H TRP A 166 30.200 -8.184 -6.905 1.00 0.00 H new ATOM 0 HA TRP A 166 28.525 -6.645 -8.543 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.014 -6.979 -5.609 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.901 -7.113 -6.956 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.828 -9.106 -4.609 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.798 -11.613 -5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.965 -8.838 -9.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.050 -13.272 -7.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.613 -10.918 -10.666 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.161 -13.130 -9.682 1.00 0.00 H new ATOM 444 N ALA A 167 30.141 -4.970 -6.243 1.00 0.00 N ATOM 445 CA ALA A 167 30.426 -3.628 -5.759 1.00 0.00 C ATOM 446 C ALA A 167 30.599 -2.664 -6.940 1.00 0.00 C ATOM 447 O ALA A 167 30.308 -1.477 -6.815 1.00 0.00 O ATOM 448 CB ALA A 167 31.691 -3.660 -4.901 1.00 0.00 C ATOM 0 H ALA A 167 30.786 -5.685 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 167 29.592 -3.275 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.909 -2.656 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.539 -4.329 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.528 -4.017 -5.500 1.00 0.00 H new ATOM 454 N GLU A 168 31.072 -3.182 -8.086 1.00 0.00 N ATOM 455 CA GLU A 168 31.285 -2.376 -9.280 1.00 0.00 C ATOM 456 C GLU A 168 30.062 -2.457 -10.198 1.00 0.00 C ATOM 457 O GLU A 168 29.559 -1.431 -10.646 1.00 0.00 O ATOM 458 CB GLU A 168 32.542 -2.869 -10.003 1.00 0.00 C ATOM 459 CG GLU A 168 33.782 -2.520 -9.172 1.00 0.00 C ATOM 460 CD GLU A 168 35.032 -3.170 -9.748 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.136 -3.216 -10.992 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.865 -3.616 -8.933 1.00 0.00 O ATOM 0 H GLU A 168 31.313 -4.166 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 168 31.425 -1.333 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.486 -3.947 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.611 -2.409 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.912 -1.438 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.638 -2.850 -8.143 1.00 0.00 H new ATOM 469 N ILE A 169 29.588 -3.676 -10.480 1.00 0.00 N ATOM 470 CA ILE A 169 28.438 -3.877 -11.364 1.00 0.00 C ATOM 471 C ILE A 169 27.215 -3.124 -10.821 1.00 0.00 C ATOM 472 O ILE A 169 26.490 -2.482 -11.578 1.00 0.00 O ATOM 473 CB ILE A 169 28.146 -5.384 -11.492 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.383 -6.103 -12.064 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.944 -5.601 -12.424 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.162 -7.619 -12.074 1.00 0.00 C ATOM 0 H ILE A 169 29.985 -4.538 -10.107 1.00 0.00 H new ATOM 0 HA ILE A 169 28.665 -3.480 -12.353 1.00 0.00 H new ATOM 0 HB ILE A 169 27.915 -5.792 -10.508 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.580 -5.751 -13.077 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.261 -5.861 -11.466 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.740 -6.668 -12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.069 -5.097 -12.013 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.169 -5.192 -13.409 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.045 -8.113 -12.481 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.988 -7.968 -11.056 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.296 -7.856 -12.692 1.00 0.00 H new ATOM 488 N ALA A 170 26.994 -3.211 -9.508 1.00 0.00 N ATOM 489 CA ALA A 170 25.864 -2.569 -8.851 1.00 0.00 C ATOM 490 C ALA A 170 25.875 -1.053 -9.090 1.00 0.00 C ATOM 491 O ALA A 170 24.818 -0.435 -9.134 1.00 0.00 O ATOM 492 CB ALA A 170 25.909 -2.887 -7.352 1.00 0.00 C ATOM 0 H ALA A 170 27.598 -3.731 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 170 24.937 -2.956 -9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.066 -2.409 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.853 -3.966 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.841 -2.512 -6.928 1.00 0.00 H new ATOM 498 N LYS A 171 27.063 -0.448 -9.248 1.00 0.00 N ATOM 499 CA LYS A 171 27.157 0.989 -9.491 1.00 0.00 C ATOM 500 C LYS A 171 26.628 1.315 -10.890 1.00 0.00 C ATOM 501 O LYS A 171 26.083 2.395 -11.105 1.00 0.00 O ATOM 502 CB LYS A 171 28.605 1.461 -9.334 1.00 0.00 C ATOM 503 CG LYS A 171 29.016 1.384 -7.858 1.00 0.00 C ATOM 504 CD LYS A 171 30.528 1.615 -7.710 1.00 0.00 C ATOM 505 CE LYS A 171 30.933 2.985 -8.275 1.00 0.00 C ATOM 506 NZ LYS A 171 30.147 4.076 -7.669 1.00 0.00 N ATOM 0 H LYS A 171 27.960 -0.931 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 171 26.547 1.516 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.267 0.842 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.706 2.484 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.470 2.131 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.749 0.409 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.808 1.554 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.073 0.827 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.994 3.155 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.791 2.990 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.586 4.990 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.177 4.053 -8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.124 3.955 -6.636 1.00 0.00 H new ATOM 520 N LEU A 172 26.782 0.378 -11.837 1.00 0.00 N ATOM 521 CA LEU A 172 26.293 0.567 -13.198 1.00 0.00 C ATOM 522 C LEU A 172 24.766 0.469 -13.207 1.00 0.00 C ATOM 523 O LEU A 172 24.111 1.079 -14.051 1.00 0.00 O ATOM 524 CB LEU A 172 26.903 -0.491 -14.131 1.00 0.00 C ATOM 525 CG LEU A 172 28.438 -0.488 -14.035 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.002 -1.562 -14.968 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.994 0.880 -14.443 1.00 0.00 C ATOM 0 H LEU A 172 27.243 -0.518 -11.678 1.00 0.00 H new ATOM 0 HA LEU A 172 26.590 1.553 -13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.520 -1.477 -13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.599 -0.294 -15.159 1.00 0.00 H new ATOM 0 HG LEU A 172 28.730 -0.696 -13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.090 -1.565 -14.904 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.619 -2.539 -14.672 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.699 -1.349 -15.993 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.081 0.867 -14.370 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.702 1.100 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.595 1.647 -13.780 1.00 0.00 H new ATOM 539 N LEU A 173 24.208 -0.300 -12.257 1.00 0.00 N ATOM 540 CA LEU A 173 22.767 -0.477 -12.124 1.00 0.00 C ATOM 541 C LEU A 173 22.338 -0.052 -10.714 1.00 0.00 C ATOM 542 O LEU A 173 22.110 -0.907 -9.866 1.00 0.00 O ATOM 543 CB LEU A 173 22.416 -1.955 -12.363 1.00 0.00 C ATOM 544 CG LEU A 173 22.756 -2.374 -13.803 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.624 -3.895 -13.927 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.797 -1.702 -14.792 1.00 0.00 C ATOM 0 H LEU A 173 24.751 -0.814 -11.563 1.00 0.00 H new ATOM 0 HA LEU A 173 22.243 0.136 -12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.964 -2.581 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.355 -2.116 -12.174 1.00 0.00 H new ATOM 0 HG LEU A 173 23.776 -2.066 -14.033 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.864 -4.199 -14.946 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.312 -4.378 -13.233 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.602 -4.192 -13.691 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.049 -2.007 -15.808 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.773 -2.001 -14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.886 -0.619 -14.706 1.00 0.00 H new ATOM 558 N PRO A 174 22.231 1.270 -10.452 1.00 0.00 N ATOM 559 CA PRO A 174 21.873 1.786 -9.140 1.00 0.00 C ATOM 560 C PRO A 174 20.567 1.173 -8.626 1.00 0.00 C ATOM 561 O PRO A 174 20.443 0.893 -7.435 1.00 0.00 O ATOM 562 CB PRO A 174 21.751 3.304 -9.306 1.00 0.00 C ATOM 563 CG PRO A 174 22.192 3.635 -10.737 1.00 0.00 C ATOM 564 CD PRO A 174 22.468 2.305 -11.438 1.00 0.00 C ATOM 0 HA PRO A 174 22.628 1.526 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.725 3.630 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.377 3.823 -8.580 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.416 4.193 -11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.085 4.260 -10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.815 2.177 -12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.493 2.264 -11.806 1.00 0.00 H new ATOM 572 N GLY A 175 19.595 0.967 -9.524 1.00 0.00 N ATOM 573 CA GLY A 175 18.306 0.395 -9.155 1.00 0.00 C ATOM 574 C GLY A 175 18.470 -1.021 -8.593 1.00 0.00 C ATOM 575 O GLY A 175 17.618 -1.487 -7.837 1.00 0.00 O ATOM 0 H GLY A 175 19.684 1.191 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.822 1.030 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.653 0.370 -10.027 1.00 0.00 H new ATOM 579 N ARG A 176 19.563 -1.703 -8.966 1.00 0.00 N ATOM 580 CA ARG A 176 19.835 -3.060 -8.517 1.00 0.00 C ATOM 581 C ARG A 176 21.012 -3.044 -7.538 1.00 0.00 C ATOM 582 O ARG A 176 22.163 -2.923 -7.950 1.00 0.00 O ATOM 583 CB ARG A 176 20.162 -3.939 -9.731 1.00 0.00 C ATOM 584 CG ARG A 176 19.062 -3.833 -10.802 1.00 0.00 C ATOM 585 CD ARG A 176 17.747 -4.424 -10.282 1.00 0.00 C ATOM 586 NE ARG A 176 16.879 -4.813 -11.404 1.00 0.00 N ATOM 587 CZ ARG A 176 15.704 -5.443 -11.248 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.237 -5.711 -10.022 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.999 -5.804 -12.326 1.00 0.00 N ATOM 0 H ARG A 176 20.277 -1.322 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 176 18.960 -3.467 -8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.119 -3.636 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.268 -4.977 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.914 -2.789 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.373 -4.360 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.954 -5.292 -9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.236 -3.694 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 176 17.186 -4.592 -12.351 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.775 -5.436 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.343 -6.190 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.355 -5.600 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.105 -6.283 -12.214 1.00 0.00 H new ATOM 603 N THR A 177 20.723 -3.164 -6.239 1.00 0.00 N ATOM 604 CA THR A 177 21.758 -3.145 -5.214 1.00 0.00 C ATOM 605 C THR A 177 22.674 -4.362 -5.357 1.00 0.00 C ATOM 606 O THR A 177 22.302 -5.362 -5.978 1.00 0.00 O ATOM 607 CB THR A 177 21.103 -3.132 -3.827 1.00 0.00 C ATOM 608 OG1 THR A 177 20.298 -4.284 -3.673 1.00 0.00 O ATOM 609 CG2 THR A 177 20.237 -1.878 -3.670 1.00 0.00 C ATOM 0 H THR A 177 19.776 -3.275 -5.876 1.00 0.00 H new ATOM 0 HA THR A 177 22.363 -2.246 -5.334 1.00 0.00 H new ATOM 0 HB THR A 177 21.882 -3.127 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.881 -4.276 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.775 -1.876 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.859 -0.990 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.460 -1.875 -4.434 1.00 0.00 H new ATOM 617 N ASP A 178 23.877 -4.277 -4.769 1.00 0.00 N ATOM 618 CA ASP A 178 24.834 -5.372 -4.799 1.00 0.00 C ATOM 619 C ASP A 178 24.200 -6.627 -4.202 1.00 0.00 C ATOM 620 O ASP A 178 24.458 -7.734 -4.665 1.00 0.00 O ATOM 621 CB ASP A 178 26.088 -4.972 -4.009 1.00 0.00 C ATOM 622 CG ASP A 178 25.874 -5.164 -2.511 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.069 -4.390 -1.948 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.511 -6.090 -1.960 1.00 0.00 O ATOM 0 H ASP A 178 24.203 -3.452 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 178 25.119 -5.585 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.937 -5.572 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.335 -3.930 -4.214 1.00 0.00 H new ATOM 629 N ASN A 179 23.371 -6.444 -3.167 1.00 0.00 N ATOM 630 CA ASN A 179 22.698 -7.544 -2.502 1.00 0.00 C ATOM 631 C ASN A 179 21.682 -8.180 -3.447 1.00 0.00 C ATOM 632 O ASN A 179 21.602 -9.402 -3.532 1.00 0.00 O ATOM 633 CB ASN A 179 22.008 -7.026 -1.234 1.00 0.00 C ATOM 634 CG ASN A 179 22.966 -7.029 -0.045 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.807 -7.826 0.875 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.961 -6.140 -0.061 1.00 0.00 N ATOM 0 H ASN A 179 23.154 -5.528 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 179 23.427 -8.304 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.639 -6.015 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.142 -7.648 -1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.626 -6.105 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.057 -5.496 -0.846 1.00 0.00 H new ATOM 643 N ALA A 180 20.907 -7.348 -4.156 1.00 0.00 N ATOM 644 CA ALA A 180 19.895 -7.838 -5.080 1.00 0.00 C ATOM 645 C ALA A 180 20.544 -8.676 -6.182 1.00 0.00 C ATOM 646 O ALA A 180 20.124 -9.806 -6.427 1.00 0.00 O ATOM 647 CB ALA A 180 19.135 -6.653 -5.680 1.00 0.00 C ATOM 0 H ALA A 180 20.968 -6.331 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 180 19.192 -8.473 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.377 -7.020 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.654 -6.087 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.832 -6.007 -6.214 1.00 0.00 H new ATOM 653 N ILE A 181 21.567 -8.122 -6.847 1.00 0.00 N ATOM 654 CA ILE A 181 22.253 -8.818 -7.931 1.00 0.00 C ATOM 655 C ILE A 181 22.907 -10.094 -7.399 1.00 0.00 C ATOM 656 O ILE A 181 22.725 -11.167 -7.964 1.00 0.00 O ATOM 657 CB ILE A 181 23.314 -7.897 -8.559 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.652 -6.635 -9.131 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.027 -8.650 -9.690 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.695 -5.529 -9.300 1.00 0.00 C ATOM 0 H ILE A 181 21.934 -7.191 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 181 21.527 -9.089 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 181 24.031 -7.605 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.190 -6.860 -10.092 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.857 -6.298 -8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.780 -8.003 -10.139 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.508 -9.541 -9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.300 -8.941 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.217 -4.637 -9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.137 -5.295 -8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.475 -5.866 -9.983 1.00 0.00 H new ATOM 672 N LYS A 182 23.673 -9.962 -6.313 1.00 0.00 N ATOM 673 CA LYS A 182 24.381 -11.079 -5.704 1.00 0.00 C ATOM 674 C LYS A 182 23.418 -12.224 -5.387 1.00 0.00 C ATOM 675 O LYS A 182 23.656 -13.361 -5.791 1.00 0.00 O ATOM 676 CB LYS A 182 25.073 -10.565 -4.438 1.00 0.00 C ATOM 677 CG LYS A 182 25.692 -11.717 -3.645 1.00 0.00 C ATOM 678 CD LYS A 182 26.724 -11.172 -2.638 1.00 0.00 C ATOM 679 CE LYS A 182 26.129 -10.022 -1.802 1.00 0.00 C ATOM 680 NZ LYS A 182 26.317 -8.711 -2.465 1.00 0.00 N ATOM 0 H LYS A 182 23.817 -9.073 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 182 25.126 -11.476 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.848 -9.848 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.352 -10.036 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.912 -12.266 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.172 -12.420 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.051 -11.975 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.606 -10.819 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.066 -10.200 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.600 -10.004 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.412 -7.968 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.176 -8.738 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.495 -8.506 -3.067 1.00 0.00 H new ATOM 694 N ASN A 183 22.335 -11.926 -4.663 1.00 0.00 N ATOM 695 CA ASN A 183 21.358 -12.935 -4.281 1.00 0.00 C ATOM 696 C ASN A 183 20.729 -13.564 -5.522 1.00 0.00 C ATOM 697 O ASN A 183 20.703 -14.787 -5.649 1.00 0.00 O ATOM 698 CB ASN A 183 20.280 -12.294 -3.404 1.00 0.00 C ATOM 699 CG ASN A 183 19.184 -13.302 -3.073 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.120 -13.287 -3.684 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.447 -14.181 -2.105 1.00 0.00 N ATOM 0 H ASN A 183 22.117 -10.987 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 183 21.858 -13.722 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.728 -11.921 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.848 -11.436 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.749 -14.878 -1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.346 -14.156 -1.624 1.00 0.00 H new ATOM 708 N HIS A 184 20.216 -12.726 -6.431 1.00 0.00 N ATOM 709 CA HIS A 184 19.566 -13.199 -7.644 1.00 0.00 C ATOM 710 C HIS A 184 20.480 -14.148 -8.411 1.00 0.00 C ATOM 711 O HIS A 184 20.057 -15.231 -8.799 1.00 0.00 O ATOM 712 CB HIS A 184 19.192 -12.002 -8.518 1.00 0.00 C ATOM 713 CG HIS A 184 18.796 -12.410 -9.914 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.865 -13.413 -10.171 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.195 -11.975 -11.153 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.764 -13.513 -11.511 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.550 -12.662 -12.169 1.00 0.00 N ATOM 0 H HIS A 184 20.243 -11.710 -6.341 1.00 0.00 H new ATOM 0 HA HIS A 184 18.663 -13.746 -7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.368 -11.460 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.037 -11.315 -8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.922 -11.193 -11.316 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.109 -14.216 -12.004 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.652 -12.545 -13.177 1.00 0.00 H new ATOM 725 N TRP A 185 21.726 -13.738 -8.636 1.00 0.00 N ATOM 726 CA TRP A 185 22.669 -14.543 -9.383 1.00 0.00 C ATOM 727 C TRP A 185 22.949 -15.851 -8.648 1.00 0.00 C ATOM 728 O TRP A 185 22.750 -16.920 -9.200 1.00 0.00 O ATOM 729 CB TRP A 185 23.960 -13.752 -9.596 1.00 0.00 C ATOM 730 CG TRP A 185 24.998 -14.459 -10.414 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.772 -15.472 -9.992 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.402 -14.222 -11.794 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.625 -15.890 -10.983 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.451 -15.139 -12.123 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.999 -13.328 -12.809 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.069 -15.154 -13.371 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.618 -13.346 -14.076 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.656 -14.254 -14.350 1.00 0.00 C ATOM 0 H TRP A 185 22.100 -12.848 -8.307 1.00 0.00 H new ATOM 0 HA TRP A 185 22.243 -14.788 -10.356 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.716 -12.807 -10.081 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.387 -13.509 -8.623 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.729 -15.902 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.296 -16.653 -10.888 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.206 -12.621 -12.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.862 -15.858 -13.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.292 -12.657 -14.841 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.133 -14.253 -15.319 1.00 0.00 H new ATOM 749 N ASN A 186 23.420 -15.764 -7.405 1.00 0.00 N ATOM 750 CA ASN A 186 23.779 -16.946 -6.631 1.00 0.00 C ATOM 751 C ASN A 186 22.614 -17.935 -6.547 1.00 0.00 C ATOM 752 O ASN A 186 22.837 -19.143 -6.513 1.00 0.00 O ATOM 753 CB ASN A 186 24.216 -16.521 -5.224 1.00 0.00 C ATOM 754 CG ASN A 186 25.517 -15.718 -5.254 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.112 -15.520 -6.311 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.958 -15.255 -4.085 1.00 0.00 N ATOM 0 H ASN A 186 23.561 -14.882 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 186 24.604 -17.450 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.430 -15.923 -4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.349 -17.406 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.821 -14.713 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.433 -15.443 -3.231 1.00 0.00 H new ATOM 763 N SER A 187 21.379 -17.428 -6.504 1.00 0.00 N ATOM 764 CA SER A 187 20.202 -18.274 -6.388 1.00 0.00 C ATOM 765 C SER A 187 19.777 -18.820 -7.756 1.00 0.00 C ATOM 766 O SER A 187 19.750 -20.032 -7.960 1.00 0.00 O ATOM 767 CB SER A 187 19.070 -17.459 -5.753 1.00 0.00 C ATOM 768 OG SER A 187 17.934 -18.279 -5.576 1.00 0.00 O ATOM 0 H SER A 187 21.174 -16.430 -6.548 1.00 0.00 H new ATOM 0 HA SER A 187 20.436 -19.131 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.393 -17.057 -4.793 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.821 -16.608 -6.388 1.00 0.00 H new ATOM 0 HG SER A 187 17.213 -17.755 -5.168 1.00 0.00 H new ATOM 774 N THR A 188 19.423 -17.922 -8.681 1.00 0.00 N ATOM 775 CA THR A 188 18.905 -18.303 -9.988 1.00 0.00 C ATOM 776 C THR A 188 20.024 -18.648 -10.976 1.00 0.00 C ATOM 777 O THR A 188 19.997 -19.716 -11.585 1.00 0.00 O ATOM 778 CB THR A 188 18.051 -17.147 -10.531 1.00 0.00 C ATOM 779 OG1 THR A 188 17.172 -16.692 -9.522 1.00 0.00 O ATOM 780 CG2 THR A 188 17.235 -17.623 -11.735 1.00 0.00 C ATOM 0 H THR A 188 19.489 -16.914 -8.540 1.00 0.00 H new ATOM 0 HA THR A 188 18.300 -19.203 -9.873 1.00 0.00 H new ATOM 0 HB THR A 188 18.708 -16.334 -10.839 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.185 -15.712 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.632 -16.798 -12.115 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.910 -17.970 -12.518 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.581 -18.441 -11.431 1.00 0.00 H new ATOM 788 N MET A 189 20.993 -17.739 -11.156 1.00 0.00 N ATOM 789 CA MET A 189 22.054 -17.919 -12.147 1.00 0.00 C ATOM 790 C MET A 189 23.345 -18.361 -11.463 1.00 0.00 C ATOM 791 O MET A 189 24.393 -17.749 -11.660 1.00 0.00 O ATOM 792 CB MET A 189 22.269 -16.597 -12.902 1.00 0.00 C ATOM 793 CG MET A 189 20.977 -16.163 -13.610 1.00 0.00 C ATOM 794 SD MET A 189 20.970 -14.425 -14.128 1.00 0.00 S ATOM 795 CE MET A 189 22.409 -14.437 -15.223 1.00 0.00 C ATOM 0 H MET A 189 21.060 -16.871 -10.625 1.00 0.00 H new ATOM 0 HA MET A 189 21.763 -18.694 -12.856 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.586 -15.821 -12.205 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.069 -16.715 -13.633 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.825 -16.793 -14.486 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.133 -16.336 -12.942 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.580 -13.432 -15.610 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.287 -14.766 -14.667 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.229 -15.120 -16.053 1.00 0.00 H new ATOM 805 N ARG A 190 23.273 -19.423 -10.655 1.00 0.00 N ATOM 806 CA ARG A 190 24.438 -19.914 -9.941 1.00 0.00 C ATOM 807 C ARG A 190 25.492 -20.384 -10.942 1.00 0.00 C ATOM 808 O ARG A 190 25.164 -21.074 -11.907 1.00 0.00 O ATOM 809 CB ARG A 190 24.024 -21.044 -9.001 1.00 0.00 C ATOM 810 CG ARG A 190 25.112 -21.249 -7.945 1.00 0.00 C ATOM 811 CD ARG A 190 24.575 -22.137 -6.823 1.00 0.00 C ATOM 812 NE ARG A 190 25.574 -22.297 -5.759 1.00 0.00 N ATOM 813 CZ ARG A 190 25.292 -22.845 -4.564 1.00 0.00 C ATOM 814 NH1 ARG A 190 24.051 -23.275 -4.294 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.254 -22.962 -3.640 1.00 0.00 N ATOM 0 H ARG A 190 22.418 -19.953 -10.484 1.00 0.00 H new ATOM 0 HA ARG A 190 24.871 -19.113 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.076 -20.803 -8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.871 -21.964 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.991 -21.709 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.428 -20.287 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.666 -21.699 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.305 -23.114 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 190 26.527 -21.977 -5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.317 -23.187 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.841 -23.690 -3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.199 -22.636 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 190 26.042 -23.377 -2.733 1.00 0.00 H new