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 159 HIS : no HD1:sc= -0.0141 K(o=0.08,f=-3.2) USER MOD Set 1.2: A 164 ASN : amide:sc= 0.0941 X(o=0.08,f=-0.22) USER MOD Single : A 148 THR OG1 : rot -77:sc= 0.937 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.1!) USER MOD Single : A 160 LYS NZ :NH3+ -156:sc= -0.0251 (180deg=-0.269) USER MOD Single : A 171 LYS NZ :NH3+ -171:sc= 0.803 (180deg=0.432!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 186 ASN : amide:sc= 0.989 K(o=0.99,f=0) USER MOD Single : A 187 SER OG : rot 77:sc= 1.19 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -162:sc= -0.206 (180deg=-0.844) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 12.902 -9.450 -13.304 1.00 0.00 N ATOM 89 CA TRP A 147 14.182 -9.355 -13.994 1.00 0.00 C ATOM 90 C TRP A 147 13.959 -9.577 -15.489 1.00 0.00 C ATOM 91 O TRP A 147 13.308 -10.547 -15.877 1.00 0.00 O ATOM 92 CB TRP A 147 15.138 -10.413 -13.431 1.00 0.00 C ATOM 93 CG TRP A 147 15.940 -9.973 -12.245 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.791 -10.410 -10.983 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.039 -9.016 -12.192 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.708 -9.817 -10.145 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.513 -8.942 -10.844 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.689 -8.204 -13.142 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.577 -8.117 -10.469 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.760 -7.365 -12.766 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.205 -7.329 -11.437 1.00 0.00 C ATOM 0 HA TRP A 147 14.621 -8.369 -13.843 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.559 -11.293 -13.153 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.824 -10.719 -14.221 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.051 -11.130 -10.668 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.782 -10.000 -9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.364 -8.224 -14.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.910 -8.089 -9.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.241 -6.745 -13.509 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.033 -6.692 -11.162 1.00 0.00 H new ATOM 112 N THR A 148 14.494 -8.679 -16.328 1.00 0.00 N ATOM 113 CA THR A 148 14.339 -8.789 -17.774 1.00 0.00 C ATOM 114 C THR A 148 15.465 -9.643 -18.358 1.00 0.00 C ATOM 115 O THR A 148 16.534 -9.766 -17.762 1.00 0.00 O ATOM 116 CB THR A 148 14.339 -7.392 -18.407 1.00 0.00 C ATOM 117 OG1 THR A 148 15.585 -6.770 -18.189 1.00 0.00 O ATOM 118 CG2 THR A 148 13.225 -6.537 -17.795 1.00 0.00 C ATOM 0 H THR A 148 15.037 -7.871 -16.024 1.00 0.00 H new ATOM 0 HA THR A 148 13.387 -9.272 -17.996 1.00 0.00 H new ATOM 0 HB THR A 148 14.165 -7.490 -19.479 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.632 -6.447 -17.265 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.234 -5.547 -18.251 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.261 -7.012 -17.976 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.387 -6.443 -16.721 1.00 0.00 H new ATOM 126 N GLU A 149 15.216 -10.227 -19.536 1.00 0.00 N ATOM 127 CA GLU A 149 16.199 -11.058 -20.216 1.00 0.00 C ATOM 128 C GLU A 149 17.459 -10.240 -20.509 1.00 0.00 C ATOM 129 O GLU A 149 18.575 -10.752 -20.405 1.00 0.00 O ATOM 130 CB GLU A 149 15.575 -11.598 -21.512 1.00 0.00 C ATOM 131 CG GLU A 149 16.550 -12.554 -22.218 1.00 0.00 C ATOM 132 CD GLU A 149 17.196 -11.904 -23.441 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.461 -10.686 -23.376 1.00 0.00 O ATOM 134 OE2 GLU A 149 17.420 -12.642 -24.424 1.00 0.00 O ATOM 0 H GLU A 149 14.332 -10.134 -20.036 1.00 0.00 H new ATOM 0 HA GLU A 149 16.487 -11.898 -19.583 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.645 -12.119 -21.286 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.324 -10.770 -22.175 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.326 -12.864 -21.518 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.018 -13.455 -22.523 1.00 0.00 H new ATOM 141 N GLU A 150 17.278 -8.966 -20.874 1.00 0.00 N ATOM 142 CA GLU A 150 18.393 -8.094 -21.187 1.00 0.00 C ATOM 143 C GLU A 150 19.276 -7.913 -19.955 1.00 0.00 C ATOM 144 O GLU A 150 20.488 -8.078 -20.037 1.00 0.00 O ATOM 145 CB GLU A 150 17.868 -6.740 -21.690 1.00 0.00 C ATOM 146 CG GLU A 150 18.445 -6.444 -23.078 1.00 0.00 C ATOM 147 CD GLU A 150 19.969 -6.395 -23.039 1.00 0.00 C ATOM 148 OE1 GLU A 150 20.489 -5.439 -22.427 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.583 -7.317 -23.622 1.00 0.00 O ATOM 0 H GLU A 150 16.363 -8.524 -20.957 1.00 0.00 H new ATOM 0 HA GLU A 150 18.996 -8.545 -21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.779 -6.755 -21.734 1.00 0.00 H new ATOM 0 HB3 GLU A 150 18.148 -5.950 -20.994 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.120 -7.211 -23.781 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.056 -5.493 -23.442 1.00 0.00 H new ATOM 156 N GLU A 151 18.667 -7.577 -18.811 1.00 0.00 N ATOM 157 CA GLU A 151 19.408 -7.373 -17.574 1.00 0.00 C ATOM 158 C GLU A 151 20.318 -8.569 -17.293 1.00 0.00 C ATOM 159 O GLU A 151 21.492 -8.388 -16.974 1.00 0.00 O ATOM 160 CB GLU A 151 18.431 -7.174 -16.422 1.00 0.00 C ATOM 161 CG GLU A 151 17.946 -5.724 -16.388 1.00 0.00 C ATOM 162 CD GLU A 151 16.839 -5.553 -15.357 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.815 -6.261 -15.497 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.032 -4.723 -14.442 1.00 0.00 O ATOM 0 H GLU A 151 17.660 -7.442 -18.723 1.00 0.00 H new ATOM 0 HA GLU A 151 20.031 -6.484 -17.676 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.581 -7.847 -16.535 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.914 -7.426 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.778 -5.062 -16.149 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.581 -5.434 -17.373 1.00 0.00 H new ATOM 171 N ASP A 152 19.780 -9.790 -17.410 1.00 0.00 N ATOM 172 CA ASP A 152 20.559 -11.001 -17.178 1.00 0.00 C ATOM 173 C ASP A 152 21.806 -10.992 -18.066 1.00 0.00 C ATOM 174 O ASP A 152 22.896 -11.338 -17.610 1.00 0.00 O ATOM 175 CB ASP A 152 19.696 -12.237 -17.463 1.00 0.00 C ATOM 176 CG ASP A 152 18.758 -12.544 -16.298 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.167 -11.578 -15.768 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.649 -13.744 -15.961 1.00 0.00 O ATOM 0 H ASP A 152 18.807 -9.959 -17.664 1.00 0.00 H new ATOM 0 HA ASP A 152 20.877 -11.035 -16.136 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.112 -12.073 -18.369 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.340 -13.097 -17.650 1.00 0.00 H new ATOM 183 N ARG A 153 21.647 -10.589 -19.336 1.00 0.00 N ATOM 184 CA ARG A 153 22.762 -10.525 -20.272 1.00 0.00 C ATOM 185 C ARG A 153 23.791 -9.497 -19.791 1.00 0.00 C ATOM 186 O ARG A 153 24.990 -9.766 -19.827 1.00 0.00 O ATOM 187 CB ARG A 153 22.242 -10.172 -21.672 1.00 0.00 C ATOM 188 CG ARG A 153 23.383 -10.274 -22.692 1.00 0.00 C ATOM 189 CD ARG A 153 22.878 -9.903 -24.092 1.00 0.00 C ATOM 190 NE ARG A 153 22.031 -10.969 -24.655 1.00 0.00 N ATOM 191 CZ ARG A 153 20.681 -10.988 -24.580 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.000 -9.959 -24.054 1.00 0.00 N ATOM 193 NH2 ARG A 153 20.015 -12.055 -25.037 1.00 0.00 N ATOM 0 H ARG A 153 20.751 -10.303 -19.732 1.00 0.00 H new ATOM 0 HA ARG A 153 23.252 -11.497 -20.322 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.432 -10.847 -21.950 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.830 -9.163 -21.673 1.00 0.00 H new ATOM 0 HG2 ARG A 153 24.198 -9.610 -22.404 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.784 -11.287 -22.699 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.311 -8.973 -24.042 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.727 -9.724 -24.752 1.00 0.00 H new ATOM 0 HE ARG A 153 22.493 -11.743 -25.132 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.501 -9.143 -23.702 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.982 -9.992 -24.006 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.526 -12.842 -25.436 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.997 -12.081 -24.986 1.00 0.00 H new ATOM 207 N ILE A 154 23.328 -8.320 -19.338 1.00 0.00 N ATOM 208 CA ILE A 154 24.227 -7.276 -18.852 1.00 0.00 C ATOM 209 C ILE A 154 25.040 -7.806 -17.672 1.00 0.00 C ATOM 210 O ILE A 154 26.261 -7.658 -17.645 1.00 0.00 O ATOM 211 CB ILE A 154 23.423 -6.027 -18.431 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.633 -5.450 -19.626 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.382 -4.960 -17.884 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.539 -5.242 -20.846 1.00 0.00 C ATOM 0 H ILE A 154 22.339 -8.074 -19.301 1.00 0.00 H new ATOM 0 HA ILE A 154 24.907 -6.991 -19.655 1.00 0.00 H new ATOM 0 HB ILE A 154 22.712 -6.318 -17.657 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.819 -6.126 -19.886 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.180 -4.500 -19.341 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.814 -4.078 -17.587 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.914 -5.358 -17.019 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.100 -4.686 -18.657 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.952 -4.835 -21.670 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.338 -4.546 -20.591 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.971 -6.197 -21.145 1.00 0.00 H new ATOM 226 N ILE A 155 24.363 -8.423 -16.697 1.00 0.00 N ATOM 227 CA ILE A 155 25.029 -8.955 -15.519 1.00 0.00 C ATOM 228 C ILE A 155 26.032 -10.030 -15.931 1.00 0.00 C ATOM 229 O ILE A 155 27.136 -10.059 -15.412 1.00 0.00 O ATOM 230 CB ILE A 155 23.992 -9.520 -14.536 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.094 -8.383 -14.026 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.714 -10.167 -13.343 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.780 -8.955 -13.495 1.00 0.00 C ATOM 0 H ILE A 155 23.353 -8.563 -16.707 1.00 0.00 H new ATOM 0 HA ILE A 155 25.570 -8.152 -15.018 1.00 0.00 H new ATOM 0 HB ILE A 155 23.383 -10.267 -15.045 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.605 -7.830 -13.238 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.894 -7.677 -14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.978 -10.568 -12.646 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.354 -10.975 -13.699 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.323 -9.418 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.149 -8.143 -13.135 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.265 -9.488 -14.295 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.988 -9.643 -12.676 1.00 0.00 H new ATOM 245 N TYR A 156 25.649 -10.912 -16.863 1.00 0.00 N ATOM 246 CA TYR A 156 26.534 -11.975 -17.322 1.00 0.00 C ATOM 247 C TYR A 156 27.795 -11.379 -17.947 1.00 0.00 C ATOM 248 O TYR A 156 28.904 -11.774 -17.597 1.00 0.00 O ATOM 249 CB TYR A 156 25.797 -12.864 -18.328 1.00 0.00 C ATOM 250 CG TYR A 156 26.650 -14.005 -18.844 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.659 -15.239 -18.168 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.442 -13.830 -19.994 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.461 -16.293 -18.638 1.00 0.00 C ATOM 254 CE2 TYR A 156 28.243 -14.885 -20.463 1.00 0.00 C ATOM 255 CZ TYR A 156 28.254 -16.115 -19.786 1.00 0.00 C ATOM 256 OH TYR A 156 29.035 -17.137 -20.241 1.00 0.00 O ATOM 0 H TYR A 156 24.732 -10.905 -17.310 1.00 0.00 H new ATOM 0 HA TYR A 156 26.833 -12.586 -16.470 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.902 -13.271 -17.858 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.467 -12.255 -19.169 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.049 -15.376 -17.287 1.00 0.00 H new ATOM 0 HD2 TYR A 156 27.434 -12.885 -20.516 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.468 -17.239 -18.118 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.851 -14.750 -21.345 1.00 0.00 H new ATOM 0 HH TYR A 156 29.517 -16.848 -21.043 1.00 0.00 H new ATOM 266 N GLN A 157 27.623 -10.431 -18.875 1.00 0.00 N ATOM 267 CA GLN A 157 28.743 -9.793 -19.551 1.00 0.00 C ATOM 268 C GLN A 157 29.663 -9.136 -18.522 1.00 0.00 C ATOM 269 O GLN A 157 30.872 -9.363 -18.532 1.00 0.00 O ATOM 270 CB GLN A 157 28.199 -8.761 -20.552 1.00 0.00 C ATOM 271 CG GLN A 157 29.337 -8.199 -21.417 1.00 0.00 C ATOM 272 CD GLN A 157 30.131 -7.122 -20.677 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.553 -6.232 -20.059 1.00 0.00 O ATOM 274 NE2 GLN A 157 31.460 -7.203 -20.742 1.00 0.00 N ATOM 0 H GLN A 157 26.708 -10.091 -19.172 1.00 0.00 H new ATOM 0 HA GLN A 157 29.327 -10.535 -20.096 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.446 -9.225 -21.189 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.707 -7.950 -20.016 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.006 -9.008 -21.709 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.924 -7.780 -22.335 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.900 -7.959 -21.267 1.00 0.00 H new ATOM 0 HE22 GLN A 157 32.037 -6.509 -20.267 1.00 0.00 H new ATOM 283 N ALA A 158 29.086 -8.322 -17.636 1.00 0.00 N ATOM 284 CA ALA A 158 29.846 -7.628 -16.612 1.00 0.00 C ATOM 285 C ALA A 158 30.559 -8.635 -15.705 1.00 0.00 C ATOM 286 O ALA A 158 31.720 -8.446 -15.367 1.00 0.00 O ATOM 287 CB ALA A 158 28.896 -6.747 -15.800 1.00 0.00 C ATOM 0 H ALA A 158 28.084 -8.131 -17.613 1.00 0.00 H new ATOM 0 HA ALA A 158 30.606 -7.002 -17.080 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.458 -6.221 -15.028 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.419 -6.022 -16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.133 -7.369 -15.333 1.00 0.00 H new ATOM 293 N HIS A 159 29.853 -9.701 -15.317 1.00 0.00 N ATOM 294 CA HIS A 159 30.392 -10.727 -14.436 1.00 0.00 C ATOM 295 C HIS A 159 31.526 -11.493 -15.122 1.00 0.00 C ATOM 296 O HIS A 159 32.453 -11.944 -14.460 1.00 0.00 O ATOM 297 CB HIS A 159 29.258 -11.680 -14.036 1.00 0.00 C ATOM 298 CG HIS A 159 29.704 -12.758 -13.085 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.298 -13.940 -13.513 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.651 -12.864 -11.720 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.561 -14.663 -12.407 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.190 -14.061 -11.277 1.00 0.00 N ATOM 0 H HIS A 159 28.891 -9.872 -15.608 1.00 0.00 H new ATOM 0 HA HIS A 159 30.807 -10.258 -13.544 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.454 -11.106 -13.575 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.846 -12.142 -14.933 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.239 -12.107 -11.069 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.028 -15.637 -12.433 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.281 -14.399 -10.319 1.00 0.00 H new ATOM 310 N LYS A 160 31.455 -11.647 -16.444 1.00 0.00 N ATOM 311 CA LYS A 160 32.473 -12.371 -17.190 1.00 0.00 C ATOM 312 C LYS A 160 33.832 -11.667 -17.074 1.00 0.00 C ATOM 313 O LYS A 160 34.870 -12.325 -17.107 1.00 0.00 O ATOM 314 CB LYS A 160 32.034 -12.475 -18.660 1.00 0.00 C ATOM 315 CG LYS A 160 32.962 -13.419 -19.442 1.00 0.00 C ATOM 316 CD LYS A 160 32.742 -14.875 -18.997 1.00 0.00 C ATOM 317 CE LYS A 160 34.005 -15.426 -18.320 1.00 0.00 C ATOM 318 NZ LYS A 160 35.134 -15.504 -19.267 1.00 0.00 N ATOM 0 H LYS A 160 30.698 -11.277 -17.019 1.00 0.00 H new ATOM 0 HA LYS A 160 32.585 -13.373 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.008 -12.840 -18.713 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.044 -11.486 -19.118 1.00 0.00 H new ATOM 0 HG2 LYS A 160 32.770 -13.325 -20.511 1.00 0.00 H new ATOM 0 HG3 LYS A 160 34.002 -13.135 -19.279 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.900 -14.927 -18.307 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.486 -15.491 -19.859 1.00 0.00 H new ATOM 0 HE2 LYS A 160 34.277 -14.788 -17.479 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.799 -16.417 -17.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 35.813 -16.220 -18.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 34.780 -15.769 -20.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 35.606 -14.579 -19.322 1.00 0.00 H new ATOM 332 N ARG A 161 33.823 -10.332 -16.950 1.00 0.00 N ATOM 333 CA ARG A 161 35.053 -9.548 -16.890 1.00 0.00 C ATOM 334 C ARG A 161 35.403 -9.164 -15.447 1.00 0.00 C ATOM 335 O ARG A 161 36.569 -9.217 -15.060 1.00 0.00 O ATOM 336 CB ARG A 161 34.864 -8.292 -17.754 1.00 0.00 C ATOM 337 CG ARG A 161 36.197 -7.540 -17.910 1.00 0.00 C ATOM 338 CD ARG A 161 36.245 -6.331 -16.964 1.00 0.00 C ATOM 339 NE ARG A 161 35.189 -5.355 -17.282 1.00 0.00 N ATOM 340 CZ ARG A 161 35.264 -4.489 -18.311 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.331 -4.491 -19.123 1.00 0.00 N ATOM 342 NH2 ARG A 161 34.266 -3.621 -18.523 1.00 0.00 N ATOM 0 H ARG A 161 32.970 -9.776 -16.890 1.00 0.00 H new ATOM 0 HA ARG A 161 35.882 -10.145 -17.269 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.481 -8.573 -18.735 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.122 -7.637 -17.297 1.00 0.00 H new ATOM 0 HG2 ARG A 161 37.028 -8.212 -17.694 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.316 -7.208 -18.941 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.131 -6.669 -15.934 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.220 -5.850 -17.036 1.00 0.00 H new ATOM 0 HE ARG A 161 34.357 -5.334 -16.692 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.092 -5.151 -18.963 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.382 -3.833 -19.900 1.00 0.00 H new ATOM 0 HH21 ARG A 161 33.453 -3.618 -17.906 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.319 -2.963 -19.301 1.00 0.00 H new ATOM 356 N LEU A 162 34.400 -8.757 -14.663 1.00 0.00 N ATOM 357 CA LEU A 162 34.614 -8.274 -13.300 1.00 0.00 C ATOM 358 C LEU A 162 34.530 -9.409 -12.275 1.00 0.00 C ATOM 359 O LEU A 162 35.069 -9.282 -11.178 1.00 0.00 O ATOM 360 CB LEU A 162 33.565 -7.198 -12.980 1.00 0.00 C ATOM 361 CG LEU A 162 33.674 -6.023 -13.969 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.398 -5.183 -13.900 1.00 0.00 C ATOM 363 CD2 LEU A 162 34.878 -5.145 -13.611 1.00 0.00 C ATOM 0 H LEU A 162 33.423 -8.754 -14.955 1.00 0.00 H new ATOM 0 HA LEU A 162 35.617 -7.853 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.566 -7.631 -13.030 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.706 -6.837 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 162 33.805 -6.416 -14.977 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.472 -4.350 -14.599 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.540 -5.802 -14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.271 -4.797 -12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 162 34.947 -4.317 -14.316 1.00 0.00 H new ATOM 0 HD22 LEU A 162 34.755 -4.753 -12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.790 -5.740 -13.660 1.00 0.00 H new ATOM 375 N GLY A 163 33.852 -10.507 -12.615 1.00 0.00 N ATOM 376 CA GLY A 163 33.683 -11.620 -11.692 1.00 0.00 C ATOM 377 C GLY A 163 32.526 -11.319 -10.742 1.00 0.00 C ATOM 378 O GLY A 163 31.586 -10.620 -11.115 1.00 0.00 O ATOM 0 H GLY A 163 33.412 -10.645 -13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.485 -12.538 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.601 -11.780 -11.126 1.00 0.00 H new ATOM 382 N ASN A 164 32.596 -11.838 -9.508 1.00 0.00 N ATOM 383 CA ASN A 164 31.547 -11.613 -8.513 1.00 0.00 C ATOM 384 C ASN A 164 31.738 -10.252 -7.835 1.00 0.00 C ATOM 385 O ASN A 164 31.363 -10.081 -6.676 1.00 0.00 O ATOM 386 CB ASN A 164 31.576 -12.734 -7.465 1.00 0.00 C ATOM 387 CG ASN A 164 31.416 -14.107 -8.109 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.301 -14.601 -8.251 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.534 -14.727 -8.496 1.00 0.00 N ATOM 0 H ASN A 164 33.369 -12.416 -9.179 1.00 0.00 H new ATOM 0 HA ASN A 164 30.579 -11.617 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.517 -12.696 -6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.778 -12.576 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.482 -15.649 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.440 -14.279 -8.358 1.00 0.00 H new ATOM 396 N ARG A 165 32.318 -9.281 -8.553 1.00 0.00 N ATOM 397 CA ARG A 165 32.541 -7.953 -8.012 1.00 0.00 C ATOM 398 C ARG A 165 31.303 -7.100 -8.262 1.00 0.00 C ATOM 399 O ARG A 165 31.340 -6.150 -9.046 1.00 0.00 O ATOM 400 CB ARG A 165 33.784 -7.336 -8.661 1.00 0.00 C ATOM 401 CG ARG A 165 35.034 -8.089 -8.197 1.00 0.00 C ATOM 402 CD ARG A 165 36.284 -7.411 -8.764 1.00 0.00 C ATOM 403 NE ARG A 165 37.508 -8.061 -8.272 1.00 0.00 N ATOM 404 CZ ARG A 165 37.999 -9.208 -8.782 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.367 -9.832 -9.785 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.127 -9.728 -8.281 1.00 0.00 N ATOM 0 H ARG A 165 32.639 -9.401 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 165 32.714 -8.006 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.701 -7.383 -9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.861 -6.282 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.078 -8.103 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.989 -9.127 -8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.260 -7.450 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.290 -6.358 -8.483 1.00 0.00 H new ATOM 0 HE ARG A 165 38.013 -7.620 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.507 -9.439 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.746 -10.700 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.611 -9.256 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.502 -10.596 -8.664 1.00 0.00 H new ATOM 420 N TRP A 166 30.201 -7.445 -7.585 1.00 0.00 N ATOM 421 CA TRP A 166 28.948 -6.714 -7.722 1.00 0.00 C ATOM 422 C TRP A 166 29.126 -5.274 -7.246 1.00 0.00 C ATOM 423 O TRP A 166 28.290 -4.434 -7.523 1.00 0.00 O ATOM 424 CB TRP A 166 27.839 -7.408 -6.924 1.00 0.00 C ATOM 425 CG TRP A 166 27.970 -8.890 -6.832 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.496 -9.546 -5.795 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.597 -9.919 -7.795 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.498 -10.901 -6.014 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.949 -11.194 -7.249 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.002 -9.914 -9.076 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.730 -12.390 -7.936 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.779 -11.121 -9.775 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.148 -12.353 -9.206 1.00 0.00 C ATOM 0 H TRP A 166 30.158 -8.230 -6.936 1.00 0.00 H new ATOM 0 HA TRP A 166 28.661 -6.701 -8.773 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.824 -6.995 -5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.878 -7.170 -7.381 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.871 -9.072 -4.900 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.855 -11.595 -5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.714 -8.976 -9.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.008 -13.334 -7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.322 -11.098 -10.753 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.982 -13.271 -9.751 1.00 0.00 H new ATOM 444 N ALA A 167 30.224 -4.988 -6.533 1.00 0.00 N ATOM 445 CA ALA A 167 30.510 -3.642 -6.066 1.00 0.00 C ATOM 446 C ALA A 167 30.569 -2.675 -7.253 1.00 0.00 C ATOM 447 O ALA A 167 30.301 -1.486 -7.094 1.00 0.00 O ATOM 448 CB ALA A 167 31.838 -3.645 -5.309 1.00 0.00 C ATOM 0 H ALA A 167 30.926 -5.680 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 167 29.717 -3.310 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.058 -2.637 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.769 -4.321 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.635 -3.979 -5.974 1.00 0.00 H new ATOM 454 N GLU A 168 30.919 -3.190 -8.443 1.00 0.00 N ATOM 455 CA GLU A 168 31.012 -2.377 -9.648 1.00 0.00 C ATOM 456 C GLU A 168 29.719 -2.482 -10.455 1.00 0.00 C ATOM 457 O GLU A 168 29.204 -1.473 -10.933 1.00 0.00 O ATOM 458 CB GLU A 168 32.214 -2.842 -10.480 1.00 0.00 C ATOM 459 CG GLU A 168 33.477 -2.895 -9.607 1.00 0.00 C ATOM 460 CD GLU A 168 33.630 -1.625 -8.778 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.645 -0.537 -9.394 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.720 -1.758 -7.540 1.00 0.00 O ATOM 0 H GLU A 168 31.142 -4.175 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 168 31.154 -1.332 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.014 -3.827 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.370 -2.162 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.429 -3.760 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.354 -3.027 -10.240 1.00 0.00 H new ATOM 469 N ILE A 169 29.191 -3.702 -10.603 1.00 0.00 N ATOM 470 CA ILE A 169 27.957 -3.927 -11.352 1.00 0.00 C ATOM 471 C ILE A 169 26.822 -3.120 -10.713 1.00 0.00 C ATOM 472 O ILE A 169 25.986 -2.548 -11.412 1.00 0.00 O ATOM 473 CB ILE A 169 27.623 -5.432 -11.371 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.860 -6.239 -11.812 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.467 -5.686 -12.348 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.509 -7.724 -11.927 1.00 0.00 C ATOM 0 H ILE A 169 29.603 -4.549 -10.211 1.00 0.00 H new ATOM 0 HA ILE A 169 28.084 -3.595 -12.382 1.00 0.00 H new ATOM 0 HB ILE A 169 27.330 -5.748 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.222 -5.868 -12.771 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.667 -6.103 -11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.230 -6.750 -12.362 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.590 -5.123 -12.028 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.759 -5.366 -13.348 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.391 -8.283 -12.239 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.169 -8.093 -10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.717 -7.855 -12.664 1.00 0.00 H new ATOM 488 N ALA A 170 26.808 -3.078 -9.379 1.00 0.00 N ATOM 489 CA ALA A 170 25.803 -2.356 -8.621 1.00 0.00 C ATOM 490 C ALA A 170 25.878 -0.856 -8.923 1.00 0.00 C ATOM 491 O ALA A 170 24.854 -0.182 -8.946 1.00 0.00 O ATOM 492 CB ALA A 170 26.019 -2.627 -7.128 1.00 0.00 C ATOM 0 H ALA A 170 27.501 -3.549 -8.798 1.00 0.00 H new ATOM 0 HA ALA A 170 24.809 -2.699 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.269 -2.089 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.928 -3.696 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.014 -2.289 -6.837 1.00 0.00 H new ATOM 498 N LYS A 171 27.090 -0.330 -9.161 1.00 0.00 N ATOM 499 CA LYS A 171 27.260 1.082 -9.484 1.00 0.00 C ATOM 500 C LYS A 171 26.805 1.334 -10.921 1.00 0.00 C ATOM 501 O LYS A 171 26.165 2.346 -11.197 1.00 0.00 O ATOM 502 CB LYS A 171 28.725 1.494 -9.297 1.00 0.00 C ATOM 503 CG LYS A 171 29.047 1.617 -7.802 1.00 0.00 C ATOM 504 CD LYS A 171 30.278 2.515 -7.595 1.00 0.00 C ATOM 505 CE LYS A 171 31.521 1.903 -8.260 1.00 0.00 C ATOM 506 NZ LYS A 171 31.963 0.684 -7.562 1.00 0.00 N ATOM 0 H LYS A 171 27.958 -0.864 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 171 26.650 1.685 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.381 0.757 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.911 2.444 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.191 2.034 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.234 0.629 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.087 3.503 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.460 2.649 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.299 1.667 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.329 2.634 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.885 0.383 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.052 0.879 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.265 -0.073 -7.710 1.00 0.00 H new ATOM 520 N LEU A 172 27.134 0.408 -11.835 1.00 0.00 N ATOM 521 CA LEU A 172 26.734 0.527 -13.233 1.00 0.00 C ATOM 522 C LEU A 172 25.207 0.505 -13.334 1.00 0.00 C ATOM 523 O LEU A 172 24.634 1.201 -14.171 1.00 0.00 O ATOM 524 CB LEU A 172 27.350 -0.621 -14.047 1.00 0.00 C ATOM 525 CG LEU A 172 28.871 -0.429 -14.183 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.503 -1.729 -14.686 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.174 0.697 -15.180 1.00 0.00 C ATOM 0 H LEU A 172 27.677 -0.430 -11.624 1.00 0.00 H new ATOM 0 HA LEU A 172 27.095 1.472 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.140 -1.573 -13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.893 -0.660 -15.036 1.00 0.00 H new ATOM 0 HG LEU A 172 29.284 -0.166 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.580 -1.596 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.299 -2.531 -13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.080 -1.987 -15.657 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.253 0.824 -15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.758 0.442 -16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.727 1.626 -14.826 1.00 0.00 H new ATOM 539 N LEU A 173 24.556 -0.292 -12.472 1.00 0.00 N ATOM 540 CA LEU A 173 23.100 -0.390 -12.427 1.00 0.00 C ATOM 541 C LEU A 173 22.618 0.016 -11.027 1.00 0.00 C ATOM 542 O LEU A 173 22.396 -0.849 -10.188 1.00 0.00 O ATOM 543 CB LEU A 173 22.676 -1.835 -12.739 1.00 0.00 C ATOM 544 CG LEU A 173 23.103 -2.239 -14.160 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.816 -3.729 -14.362 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.322 -1.429 -15.201 1.00 0.00 C ATOM 0 H LEU A 173 25.030 -0.884 -11.790 1.00 0.00 H new ATOM 0 HA LEU A 173 22.655 0.274 -13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.124 -2.514 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.595 -1.930 -12.639 1.00 0.00 H new ATOM 0 HG LEU A 173 24.168 -2.040 -14.283 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.116 -4.024 -15.367 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.378 -4.310 -13.631 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.750 -3.915 -14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.635 -1.726 -16.202 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.255 -1.618 -15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.520 -0.367 -15.059 1.00 0.00 H new ATOM 558 N PRO A 174 22.459 1.334 -10.768 1.00 0.00 N ATOM 559 CA PRO A 174 22.053 1.838 -9.464 1.00 0.00 C ATOM 560 C PRO A 174 20.746 1.200 -8.985 1.00 0.00 C ATOM 561 O PRO A 174 20.592 0.927 -7.797 1.00 0.00 O ATOM 562 CB PRO A 174 21.905 3.353 -9.631 1.00 0.00 C ATOM 563 CG PRO A 174 22.401 3.699 -11.039 1.00 0.00 C ATOM 564 CD PRO A 174 22.685 2.376 -11.748 1.00 0.00 C ATOM 0 HA PRO A 174 22.792 1.589 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.866 3.655 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.486 3.883 -8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.651 4.275 -11.582 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.301 4.312 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.030 2.248 -12.610 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.709 2.346 -12.119 1.00 0.00 H new ATOM 572 N GLY A 175 19.805 0.966 -9.909 1.00 0.00 N ATOM 573 CA GLY A 175 18.519 0.371 -9.570 1.00 0.00 C ATOM 574 C GLY A 175 18.692 -1.050 -9.021 1.00 0.00 C ATOM 575 O GLY A 175 17.803 -1.557 -8.336 1.00 0.00 O ATOM 0 H GLY A 175 19.917 1.183 -10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.013 0.990 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.882 0.347 -10.454 1.00 0.00 H new ATOM 579 N ARG A 176 19.831 -1.689 -9.329 1.00 0.00 N ATOM 580 CA ARG A 176 20.117 -3.047 -8.890 1.00 0.00 C ATOM 581 C ARG A 176 21.264 -3.025 -7.877 1.00 0.00 C ATOM 582 O ARG A 176 22.421 -2.877 -8.254 1.00 0.00 O ATOM 583 CB ARG A 176 20.495 -3.898 -10.111 1.00 0.00 C ATOM 584 CG ARG A 176 19.399 -3.830 -11.186 1.00 0.00 C ATOM 585 CD ARG A 176 18.083 -4.380 -10.631 1.00 0.00 C ATOM 586 NE ARG A 176 17.192 -4.806 -11.720 1.00 0.00 N ATOM 587 CZ ARG A 176 16.082 -5.531 -11.516 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.765 -5.935 -10.283 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.292 -5.847 -12.547 1.00 0.00 N ATOM 0 H ARG A 176 20.574 -1.272 -9.890 1.00 0.00 H new ATOM 0 HA ARG A 176 19.238 -3.479 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.440 -3.547 -10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.647 -4.933 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.262 -2.799 -11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.702 -4.404 -12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.286 -5.223 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.590 -3.616 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 176 17.429 -4.538 -12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.367 -5.692 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.921 -6.486 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.533 -5.537 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.448 -6.398 -12.392 1.00 0.00 H new ATOM 603 N THR A 177 20.944 -3.173 -6.587 1.00 0.00 N ATOM 604 CA THR A 177 21.956 -3.157 -5.538 1.00 0.00 C ATOM 605 C THR A 177 22.834 -4.407 -5.631 1.00 0.00 C ATOM 606 O THR A 177 22.447 -5.404 -6.243 1.00 0.00 O ATOM 607 CB THR A 177 21.276 -3.076 -4.166 1.00 0.00 C ATOM 608 OG1 THR A 177 20.411 -4.180 -3.997 1.00 0.00 O ATOM 609 CG2 THR A 177 20.471 -1.777 -4.061 1.00 0.00 C ATOM 0 H THR A 177 19.991 -3.305 -6.249 1.00 0.00 H new ATOM 0 HA THR A 177 22.593 -2.282 -5.667 1.00 0.00 H new ATOM 0 HB THR A 177 22.040 -3.091 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.980 -4.126 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.990 -1.725 -3.084 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.139 -0.924 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.710 -1.756 -4.841 1.00 0.00 H new ATOM 617 N ASP A 178 24.019 -4.348 -5.013 1.00 0.00 N ATOM 618 CA ASP A 178 24.956 -5.461 -5.010 1.00 0.00 C ATOM 619 C ASP A 178 24.283 -6.706 -4.433 1.00 0.00 C ATOM 620 O ASP A 178 24.393 -7.792 -4.999 1.00 0.00 O ATOM 621 CB ASP A 178 26.200 -5.077 -4.190 1.00 0.00 C ATOM 622 CG ASP A 178 25.862 -4.874 -2.714 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.955 -4.054 -2.443 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.515 -5.545 -1.886 1.00 0.00 O ATOM 0 H ASP A 178 24.348 -3.527 -4.504 1.00 0.00 H new ATOM 0 HA ASP A 178 25.266 -5.686 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.955 -5.857 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.634 -4.162 -4.593 1.00 0.00 H new ATOM 629 N ASN A 179 23.582 -6.538 -3.308 1.00 0.00 N ATOM 630 CA ASN A 179 22.892 -7.634 -2.653 1.00 0.00 C ATOM 631 C ASN A 179 21.829 -8.218 -3.581 1.00 0.00 C ATOM 632 O ASN A 179 21.752 -9.435 -3.742 1.00 0.00 O ATOM 633 CB ASN A 179 22.255 -7.122 -1.359 1.00 0.00 C ATOM 634 CG ASN A 179 21.513 -8.243 -0.638 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.305 -8.391 -0.796 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.239 -9.031 0.155 1.00 0.00 N ATOM 0 H ASN A 179 23.482 -5.640 -2.834 1.00 0.00 H new ATOM 0 HA ASN A 179 23.604 -8.424 -2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.026 -6.712 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.564 -6.310 -1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.792 -9.795 0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.241 -8.870 0.255 1.00 0.00 H new ATOM 643 N ALA A 180 21.007 -7.350 -4.188 1.00 0.00 N ATOM 644 CA ALA A 180 19.939 -7.788 -5.074 1.00 0.00 C ATOM 645 C ALA A 180 20.498 -8.647 -6.207 1.00 0.00 C ATOM 646 O ALA A 180 20.004 -9.749 -6.445 1.00 0.00 O ATOM 647 CB ALA A 180 19.207 -6.568 -5.635 1.00 0.00 C ATOM 0 H ALA A 180 21.069 -6.338 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 180 19.234 -8.397 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.407 -6.897 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.783 -5.989 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.909 -5.947 -6.192 1.00 0.00 H new ATOM 653 N ILE A 181 21.523 -8.145 -6.910 1.00 0.00 N ATOM 654 CA ILE A 181 22.113 -8.870 -8.029 1.00 0.00 C ATOM 655 C ILE A 181 22.717 -10.187 -7.541 1.00 0.00 C ATOM 656 O ILE A 181 22.475 -11.231 -8.136 1.00 0.00 O ATOM 657 CB ILE A 181 23.193 -8.021 -8.720 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.603 -6.693 -9.215 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.739 -8.804 -9.921 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.725 -5.666 -9.402 1.00 0.00 C ATOM 0 H ILE A 181 21.955 -7.241 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 181 21.326 -9.083 -8.753 1.00 0.00 H new ATOM 0 HB ILE A 181 23.988 -7.806 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.077 -6.847 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.871 -6.320 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.507 -8.214 -10.422 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.171 -9.744 -9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.928 -9.011 -10.619 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.302 -4.725 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.232 -5.503 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.441 -6.038 -10.135 1.00 0.00 H new ATOM 672 N LYS A 182 23.510 -10.132 -6.463 1.00 0.00 N ATOM 673 CA LYS A 182 24.169 -11.314 -5.923 1.00 0.00 C ATOM 674 C LYS A 182 23.145 -12.415 -5.640 1.00 0.00 C ATOM 675 O LYS A 182 23.330 -13.556 -6.066 1.00 0.00 O ATOM 676 CB LYS A 182 24.930 -10.931 -4.649 1.00 0.00 C ATOM 677 CG LYS A 182 25.767 -12.118 -4.165 1.00 0.00 C ATOM 678 CD LYS A 182 26.611 -11.691 -2.962 1.00 0.00 C ATOM 679 CE LYS A 182 27.508 -12.852 -2.523 1.00 0.00 C ATOM 680 NZ LYS A 182 28.305 -12.488 -1.337 1.00 0.00 N ATOM 0 H LYS A 182 23.707 -9.273 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 182 24.878 -11.701 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.576 -10.075 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.227 -10.629 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.116 -12.948 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.413 -12.473 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.221 -10.826 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.963 -11.388 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.895 -13.725 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.173 -13.131 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.904 -13.292 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.906 -11.670 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.668 -12.245 -0.552 1.00 0.00 H new ATOM 694 N ASN A 183 22.069 -12.076 -4.921 1.00 0.00 N ATOM 695 CA ASN A 183 21.032 -13.042 -4.585 1.00 0.00 C ATOM 696 C ASN A 183 20.408 -13.598 -5.862 1.00 0.00 C ATOM 697 O ASN A 183 20.391 -14.807 -6.062 1.00 0.00 O ATOM 698 CB ASN A 183 19.966 -12.380 -3.705 1.00 0.00 C ATOM 699 CG ASN A 183 20.376 -12.413 -2.236 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.954 -13.295 -1.493 1.00 0.00 O ATOM 701 ND2 ASN A 183 21.198 -11.454 -1.817 1.00 0.00 N ATOM 0 H ASN A 183 21.899 -11.136 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 183 21.475 -13.867 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.817 -11.348 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.013 -12.894 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 183 21.502 -11.432 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.524 -10.741 -2.469 1.00 0.00 H new ATOM 708 N HIS A 184 19.898 -12.707 -6.722 1.00 0.00 N ATOM 709 CA HIS A 184 19.264 -13.099 -7.979 1.00 0.00 C ATOM 710 C HIS A 184 20.156 -14.073 -8.754 1.00 0.00 C ATOM 711 O HIS A 184 19.687 -15.116 -9.218 1.00 0.00 O ATOM 712 CB HIS A 184 18.987 -11.833 -8.804 1.00 0.00 C ATOM 713 CG HIS A 184 19.061 -12.054 -10.294 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.101 -12.768 -11.003 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.975 -11.659 -11.238 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.489 -12.761 -12.296 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.628 -12.098 -12.506 1.00 0.00 N ATOM 0 H HIS A 184 19.915 -11.700 -6.564 1.00 0.00 H new ATOM 0 HA HIS A 184 18.324 -13.612 -7.773 1.00 0.00 H new ATOM 0 HB2 HIS A 184 17.997 -11.454 -8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.705 -11.062 -8.523 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.858 -11.077 -11.019 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.932 -13.245 -13.084 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.123 -11.950 -13.386 1.00 0.00 H new ATOM 725 N TRP A 185 21.435 -13.728 -8.896 1.00 0.00 N ATOM 726 CA TRP A 185 22.377 -14.544 -9.634 1.00 0.00 C ATOM 727 C TRP A 185 22.499 -15.930 -9.006 1.00 0.00 C ATOM 728 O TRP A 185 22.361 -16.935 -9.693 1.00 0.00 O ATOM 729 CB TRP A 185 23.733 -13.846 -9.672 1.00 0.00 C ATOM 730 CG TRP A 185 24.794 -14.594 -10.418 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.561 -15.569 -9.910 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.229 -14.446 -11.803 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.451 -16.038 -10.844 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.293 -15.373 -12.044 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.841 -13.625 -12.886 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.936 -15.471 -13.278 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.487 -13.725 -14.138 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.534 -14.644 -14.330 1.00 0.00 C ATOM 0 H TRP A 185 21.838 -12.878 -8.502 1.00 0.00 H new ATOM 0 HA TRP A 185 22.015 -14.673 -10.654 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.610 -12.864 -10.128 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.072 -13.682 -8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.488 -15.938 -8.897 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.135 -16.776 -10.675 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.040 -12.912 -12.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.738 -16.180 -13.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.174 -13.091 -14.954 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.026 -14.710 -15.289 1.00 0.00 H new ATOM 749 N ASN A 186 22.768 -15.987 -7.702 1.00 0.00 N ATOM 750 CA ASN A 186 22.959 -17.257 -7.019 1.00 0.00 C ATOM 751 C ASN A 186 21.648 -18.046 -6.923 1.00 0.00 C ATOM 752 O ASN A 186 21.681 -19.261 -6.723 1.00 0.00 O ATOM 753 CB ASN A 186 23.541 -17.006 -5.626 1.00 0.00 C ATOM 754 CG ASN A 186 25.043 -16.753 -5.706 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.836 -17.682 -5.579 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.434 -15.497 -5.919 1.00 0.00 N ATOM 0 H ASN A 186 22.858 -15.167 -7.102 1.00 0.00 H new ATOM 0 HA ASN A 186 23.658 -17.859 -7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.047 -16.149 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.346 -17.865 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.428 -15.276 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.740 -14.757 -6.018 1.00 0.00 H new ATOM 763 N SER A 187 20.503 -17.372 -7.056 1.00 0.00 N ATOM 764 CA SER A 187 19.210 -18.031 -6.956 1.00 0.00 C ATOM 765 C SER A 187 18.902 -18.836 -8.221 1.00 0.00 C ATOM 766 O SER A 187 18.499 -19.993 -8.121 1.00 0.00 O ATOM 767 CB SER A 187 18.118 -16.987 -6.712 1.00 0.00 C ATOM 768 OG SER A 187 18.278 -16.424 -5.428 1.00 0.00 O ATOM 0 H SER A 187 20.451 -16.369 -7.233 1.00 0.00 H new ATOM 0 HA SER A 187 19.240 -18.726 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.171 -16.207 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.134 -17.449 -6.797 1.00 0.00 H new ATOM 0 HG SER A 187 19.012 -15.775 -5.445 1.00 0.00 H new ATOM 774 N THR A 188 19.072 -18.223 -9.407 1.00 0.00 N ATOM 775 CA THR A 188 18.724 -18.883 -10.669 1.00 0.00 C ATOM 776 C THR A 188 19.860 -18.798 -11.693 1.00 0.00 C ATOM 777 O THR A 188 20.128 -19.773 -12.398 1.00 0.00 O ATOM 778 CB THR A 188 17.454 -18.223 -11.226 1.00 0.00 C ATOM 779 OG1 THR A 188 16.473 -18.157 -10.212 1.00 0.00 O ATOM 780 CG2 THR A 188 16.911 -19.039 -12.401 1.00 0.00 C ATOM 0 H THR A 188 19.445 -17.280 -9.513 1.00 0.00 H new ATOM 0 HA THR A 188 18.552 -19.942 -10.476 1.00 0.00 H new ATOM 0 HB THR A 188 17.698 -17.218 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.663 -17.734 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.010 -18.563 -12.789 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.663 -19.088 -13.188 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.672 -20.048 -12.064 1.00 0.00 H new ATOM 788 N MET A 189 20.516 -17.639 -11.796 1.00 0.00 N ATOM 789 CA MET A 189 21.564 -17.432 -12.792 1.00 0.00 C ATOM 790 C MET A 189 22.910 -17.979 -12.287 1.00 0.00 C ATOM 791 O MET A 189 23.938 -17.309 -12.376 1.00 0.00 O ATOM 792 CB MET A 189 21.636 -15.929 -13.127 1.00 0.00 C ATOM 793 CG MET A 189 20.868 -15.638 -14.421 1.00 0.00 C ATOM 794 SD MET A 189 21.578 -16.401 -15.906 1.00 0.00 S ATOM 795 CE MET A 189 23.235 -15.671 -15.861 1.00 0.00 C ATOM 0 H MET A 189 20.338 -16.831 -11.200 1.00 0.00 H new ATOM 0 HA MET A 189 21.329 -17.981 -13.704 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.216 -15.346 -12.307 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.676 -15.623 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.841 -15.985 -14.305 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.825 -14.559 -14.568 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.700 -15.764 -16.842 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.161 -14.617 -15.593 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.842 -16.192 -15.121 1.00 0.00 H new ATOM 805 N ARG A 190 22.905 -19.215 -11.770 1.00 0.00 N ATOM 806 CA ARG A 190 24.120 -19.858 -11.286 1.00 0.00 C ATOM 807 C ARG A 190 24.846 -20.498 -12.471 1.00 0.00 C ATOM 808 O ARG A 190 25.085 -21.705 -12.482 1.00 0.00 O ATOM 809 CB ARG A 190 23.745 -20.908 -10.229 1.00 0.00 C ATOM 810 CG ARG A 190 24.991 -21.334 -9.434 1.00 0.00 C ATOM 811 CD ARG A 190 25.230 -20.365 -8.273 1.00 0.00 C ATOM 812 NE ARG A 190 24.139 -20.444 -7.290 1.00 0.00 N ATOM 813 CZ ARG A 190 24.152 -21.255 -6.217 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.163 -22.114 -6.020 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.142 -21.201 -5.342 1.00 0.00 N ATOM 0 H ARG A 190 22.065 -19.787 -11.679 1.00 0.00 H new ATOM 0 HA ARG A 190 24.786 -19.129 -10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.995 -20.500 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.299 -21.777 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.860 -22.346 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.862 -21.351 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.178 -20.598 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.308 -19.347 -8.654 1.00 0.00 H new ATOM 0 HE ARG A 190 23.323 -19.848 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 190 25.933 -22.157 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.162 -22.724 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 190 22.372 -20.549 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 190 23.142 -21.812 -4.525 1.00 0.00 H new