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 187 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= -0.0281 USER MOD Set 2.1: A 159 HIS : no HD1:sc= 0.344 K(o=0.67,f=-2.8) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.329 X(o=0.67,f=0.6) USER MOD Single : A 148 THR OG1 : rot -76:sc= 1.2 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.022) USER MOD Single : A 160 LYS NZ :NH3+ -164:sc= -0.0024 (180deg=-0.186) USER MOD Single : A 171 LYS NZ :NH3+ -171:sc= 1.5 (180deg=1.34) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0678 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.75) USER MOD Single : A 186 ASN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 189 MET CE :methyl -173:sc= -1.37 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.179 -8.989 -12.375 1.00 0.00 N ATOM 89 CA TRP A 147 14.303 -8.911 -13.299 1.00 0.00 C ATOM 90 C TRP A 147 13.813 -9.086 -14.734 1.00 0.00 C ATOM 91 O TRP A 147 12.680 -9.519 -14.954 1.00 0.00 O ATOM 92 CB TRP A 147 15.325 -9.985 -12.927 1.00 0.00 C ATOM 93 CG TRP A 147 16.215 -9.608 -11.786 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.136 -10.078 -10.530 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.328 -8.672 -11.778 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.112 -9.522 -9.736 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.889 -8.640 -10.464 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.926 -7.843 -12.749 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.988 -7.840 -10.140 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.031 -7.031 -12.426 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.565 -7.036 -11.130 1.00 0.00 C ATOM 0 HA TRP A 147 14.779 -7.933 -13.229 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.796 -10.903 -12.673 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.942 -10.203 -13.799 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.405 -10.796 -10.189 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.244 -9.732 -8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.532 -7.830 -13.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.388 -7.842 -9.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.471 -6.399 -13.184 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.421 -6.420 -10.896 1.00 0.00 H new ATOM 112 N THR A 148 14.671 -8.739 -15.709 1.00 0.00 N ATOM 113 CA THR A 148 14.325 -8.828 -17.122 1.00 0.00 C ATOM 114 C THR A 148 15.441 -9.527 -17.901 1.00 0.00 C ATOM 115 O THR A 148 16.590 -9.562 -17.463 1.00 0.00 O ATOM 116 CB THR A 148 14.087 -7.418 -17.680 1.00 0.00 C ATOM 117 OG1 THR A 148 15.263 -6.649 -17.547 1.00 0.00 O ATOM 118 CG2 THR A 148 12.944 -6.738 -16.922 1.00 0.00 C ATOM 0 H THR A 148 15.614 -8.393 -15.533 1.00 0.00 H new ATOM 0 HA THR A 148 13.413 -9.415 -17.231 1.00 0.00 H new ATOM 0 HB THR A 148 13.820 -7.496 -18.734 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.364 -6.365 -16.615 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.784 -5.738 -17.326 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.033 -7.325 -17.034 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.201 -6.665 -15.865 1.00 0.00 H new ATOM 126 N GLU A 149 15.080 -10.076 -19.069 1.00 0.00 N ATOM 127 CA GLU A 149 16.012 -10.778 -19.944 1.00 0.00 C ATOM 128 C GLU A 149 17.236 -9.904 -20.238 1.00 0.00 C ATOM 129 O GLU A 149 18.369 -10.379 -20.174 1.00 0.00 O ATOM 130 CB GLU A 149 15.258 -11.151 -21.236 1.00 0.00 C ATOM 131 CG GLU A 149 16.228 -11.491 -22.380 1.00 0.00 C ATOM 132 CD GLU A 149 17.103 -12.700 -22.056 1.00 0.00 C ATOM 133 OE1 GLU A 149 16.677 -13.505 -21.202 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.184 -12.794 -22.682 1.00 0.00 O ATOM 0 H GLU A 149 14.127 -10.042 -19.430 1.00 0.00 H new ATOM 0 HA GLU A 149 16.381 -11.684 -19.463 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.607 -12.004 -21.045 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.617 -10.322 -21.536 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.660 -11.689 -23.289 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.863 -10.629 -22.583 1.00 0.00 H new ATOM 141 N GLU A 150 17.011 -8.628 -20.568 1.00 0.00 N ATOM 142 CA GLU A 150 18.100 -7.719 -20.893 1.00 0.00 C ATOM 143 C GLU A 150 19.062 -7.605 -19.708 1.00 0.00 C ATOM 144 O GLU A 150 20.268 -7.773 -19.872 1.00 0.00 O ATOM 145 CB GLU A 150 17.533 -6.339 -21.269 1.00 0.00 C ATOM 146 CG GLU A 150 17.940 -5.979 -22.703 1.00 0.00 C ATOM 147 CD GLU A 150 19.458 -5.981 -22.866 1.00 0.00 C ATOM 148 OE1 GLU A 150 20.098 -5.124 -22.222 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.947 -6.844 -23.633 1.00 0.00 O ATOM 0 H GLU A 150 16.083 -8.207 -20.615 1.00 0.00 H new ATOM 0 HA GLU A 150 18.653 -8.112 -21.746 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.447 -6.347 -21.181 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.903 -5.583 -20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.496 -6.691 -23.399 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.546 -4.996 -22.959 1.00 0.00 H new ATOM 156 N GLU A 151 18.526 -7.321 -18.515 1.00 0.00 N ATOM 157 CA GLU A 151 19.342 -7.176 -17.318 1.00 0.00 C ATOM 158 C GLU A 151 20.183 -8.433 -17.087 1.00 0.00 C ATOM 159 O GLU A 151 21.373 -8.332 -16.793 1.00 0.00 O ATOM 160 CB GLU A 151 18.445 -6.912 -16.115 1.00 0.00 C ATOM 161 CG GLU A 151 17.940 -5.468 -16.140 1.00 0.00 C ATOM 162 CD GLU A 151 16.991 -5.213 -14.978 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.892 -5.812 -14.997 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.376 -4.428 -14.083 1.00 0.00 O ATOM 0 H GLU A 151 17.527 -7.188 -18.359 1.00 0.00 H new ATOM 0 HA GLU A 151 20.019 -6.332 -17.452 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.600 -7.601 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.997 -7.096 -15.193 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.784 -4.781 -16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.430 -5.272 -17.083 1.00 0.00 H new ATOM 171 N ASP A 152 19.568 -9.616 -17.219 1.00 0.00 N ATOM 172 CA ASP A 152 20.281 -10.874 -17.032 1.00 0.00 C ATOM 173 C ASP A 152 21.528 -10.895 -17.917 1.00 0.00 C ATOM 174 O ASP A 152 22.615 -11.220 -17.444 1.00 0.00 O ATOM 175 CB ASP A 152 19.357 -12.052 -17.363 1.00 0.00 C ATOM 176 CG ASP A 152 18.527 -12.459 -16.149 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.774 -11.591 -15.657 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.663 -13.632 -15.739 1.00 0.00 O ATOM 0 H ASP A 152 18.581 -9.722 -17.454 1.00 0.00 H new ATOM 0 HA ASP A 152 20.592 -10.965 -15.991 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.695 -11.779 -18.185 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.952 -12.900 -17.701 1.00 0.00 H new ATOM 183 N ARG A 153 21.370 -10.542 -19.202 1.00 0.00 N ATOM 184 CA ARG A 153 22.486 -10.521 -20.139 1.00 0.00 C ATOM 185 C ARG A 153 23.546 -9.515 -19.685 1.00 0.00 C ATOM 186 O ARG A 153 24.737 -9.823 -19.718 1.00 0.00 O ATOM 187 CB ARG A 153 21.984 -10.166 -21.541 1.00 0.00 C ATOM 188 CG ARG A 153 21.149 -11.318 -22.103 1.00 0.00 C ATOM 189 CD ARG A 153 20.925 -11.107 -23.601 1.00 0.00 C ATOM 190 NE ARG A 153 20.156 -9.875 -23.856 1.00 0.00 N ATOM 191 CZ ARG A 153 18.976 -9.851 -24.506 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.277 -10.977 -24.700 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.501 -8.688 -24.959 1.00 0.00 N ATOM 0 H ARG A 153 20.476 -10.268 -19.609 1.00 0.00 H new ATOM 0 HA ARG A 153 22.940 -11.512 -20.166 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.385 -9.256 -21.503 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.829 -9.963 -22.199 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.658 -12.267 -21.931 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.191 -11.372 -21.586 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.887 -11.051 -24.111 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.394 -11.963 -24.016 1.00 0.00 H new ATOM 0 HE ARG A 153 20.539 -8.991 -23.521 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.637 -11.867 -24.354 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.385 -10.945 -25.194 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.031 -7.829 -24.812 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.609 -8.659 -25.452 1.00 0.00 H new ATOM 207 N ILE A 154 23.119 -8.314 -19.265 1.00 0.00 N ATOM 208 CA ILE A 154 24.047 -7.278 -18.816 1.00 0.00 C ATOM 209 C ILE A 154 24.928 -7.828 -17.694 1.00 0.00 C ATOM 210 O ILE A 154 26.154 -7.707 -17.749 1.00 0.00 O ATOM 211 CB ILE A 154 23.263 -6.037 -18.339 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.535 -5.375 -19.528 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.222 -5.033 -17.685 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.506 -4.547 -20.381 1.00 0.00 C ATOM 0 H ILE A 154 22.137 -8.042 -19.229 1.00 0.00 H new ATOM 0 HA ILE A 154 24.687 -6.979 -19.646 1.00 0.00 H new ATOM 0 HB ILE A 154 22.520 -6.350 -17.605 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.068 -6.143 -20.145 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.735 -4.734 -19.157 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.662 -4.160 -17.351 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.710 -5.500 -16.830 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.976 -4.725 -18.409 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.965 -4.093 -21.211 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.953 -3.765 -19.768 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.291 -5.195 -20.771 1.00 0.00 H new ATOM 226 N ILE A 155 24.303 -8.435 -16.678 1.00 0.00 N ATOM 227 CA ILE A 155 25.033 -8.996 -15.551 1.00 0.00 C ATOM 228 C ILE A 155 25.961 -10.104 -16.044 1.00 0.00 C ATOM 229 O ILE A 155 27.100 -10.179 -15.616 1.00 0.00 O ATOM 230 CB ILE A 155 24.049 -9.540 -14.501 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.170 -8.401 -13.967 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.834 -10.162 -13.333 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.898 -8.978 -13.347 1.00 0.00 C ATOM 0 H ILE A 155 23.291 -8.547 -16.620 1.00 0.00 H new ATOM 0 HA ILE A 155 25.634 -8.215 -15.084 1.00 0.00 H new ATOM 0 HB ILE A 155 23.417 -10.297 -14.966 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.719 -7.824 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.914 -7.717 -14.776 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.136 -10.547 -12.590 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.454 -10.977 -13.705 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.469 -9.403 -12.876 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.277 -8.166 -12.969 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.346 -9.536 -14.103 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.163 -9.644 -12.526 1.00 0.00 H new ATOM 245 N TYR A 156 25.466 -10.964 -16.942 1.00 0.00 N ATOM 246 CA TYR A 156 26.253 -12.074 -17.469 1.00 0.00 C ATOM 247 C TYR A 156 27.542 -11.565 -18.111 1.00 0.00 C ATOM 248 O TYR A 156 28.623 -12.074 -17.817 1.00 0.00 O ATOM 249 CB TYR A 156 25.411 -12.861 -18.480 1.00 0.00 C ATOM 250 CG TYR A 156 25.753 -14.334 -18.518 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.211 -15.200 -17.552 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.609 -14.838 -19.513 1.00 0.00 C ATOM 253 CE1 TYR A 156 25.524 -16.568 -17.578 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.918 -16.210 -19.542 1.00 0.00 C ATOM 255 CZ TYR A 156 26.376 -17.074 -18.572 1.00 0.00 C ATOM 256 OH TYR A 156 26.677 -18.403 -18.596 1.00 0.00 O ATOM 0 H TYR A 156 24.519 -10.908 -17.317 1.00 0.00 H new ATOM 0 HA TYR A 156 26.532 -12.736 -16.649 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.356 -12.745 -18.233 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.554 -12.435 -19.473 1.00 0.00 H new ATOM 0 HD1 TYR A 156 24.553 -14.812 -16.789 1.00 0.00 H new ATOM 0 HD2 TYR A 156 27.028 -14.173 -20.254 1.00 0.00 H new ATOM 0 HE1 TYR A 156 25.109 -17.231 -16.833 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.571 -16.600 -20.308 1.00 0.00 H new ATOM 0 HH TYR A 156 27.278 -18.589 -19.348 1.00 0.00 H new ATOM 266 N GLN A 157 27.428 -10.563 -18.985 1.00 0.00 N ATOM 267 CA GLN A 157 28.580 -10.002 -19.670 1.00 0.00 C ATOM 268 C GLN A 157 29.553 -9.399 -18.655 1.00 0.00 C ATOM 269 O GLN A 157 30.743 -9.715 -18.670 1.00 0.00 O ATOM 270 CB GLN A 157 28.103 -8.941 -20.666 1.00 0.00 C ATOM 271 CG GLN A 157 29.285 -8.460 -21.512 1.00 0.00 C ATOM 272 CD GLN A 157 28.864 -7.346 -22.463 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.981 -7.486 -23.676 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.375 -6.235 -21.910 1.00 0.00 N ATOM 0 H GLN A 157 26.540 -10.125 -19.232 1.00 0.00 H new ATOM 0 HA GLN A 157 29.105 -10.788 -20.213 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.327 -9.355 -21.310 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.659 -8.101 -20.132 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.082 -8.103 -20.859 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.691 -9.295 -22.083 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.296 -6.162 -20.896 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.080 -5.458 -22.501 1.00 0.00 H new ATOM 283 N ALA A 158 29.046 -8.527 -17.777 1.00 0.00 N ATOM 284 CA ALA A 158 29.871 -7.867 -16.775 1.00 0.00 C ATOM 285 C ALA A 158 30.532 -8.896 -15.855 1.00 0.00 C ATOM 286 O ALA A 158 31.676 -8.718 -15.450 1.00 0.00 O ATOM 287 CB ALA A 158 29.002 -6.903 -15.967 1.00 0.00 C ATOM 0 H ALA A 158 28.061 -8.265 -17.745 1.00 0.00 H new ATOM 0 HA ALA A 158 30.664 -7.309 -17.273 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.614 -6.405 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.569 -6.157 -16.634 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.203 -7.458 -15.476 1.00 0.00 H new ATOM 293 N HIS A 159 29.807 -9.970 -15.528 1.00 0.00 N ATOM 294 CA HIS A 159 30.313 -11.013 -14.652 1.00 0.00 C ATOM 295 C HIS A 159 31.443 -11.773 -15.340 1.00 0.00 C ATOM 296 O HIS A 159 32.431 -12.115 -14.708 1.00 0.00 O ATOM 297 CB HIS A 159 29.170 -11.958 -14.274 1.00 0.00 C ATOM 298 CG HIS A 159 29.573 -12.971 -13.238 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.246 -14.146 -13.553 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.410 -13.012 -11.878 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.442 -14.804 -12.393 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.954 -14.164 -11.330 1.00 0.00 N ATOM 0 H HIS A 159 28.858 -10.134 -15.865 1.00 0.00 H new ATOM 0 HA HIS A 159 30.713 -10.565 -13.742 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.330 -11.374 -13.898 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.822 -12.477 -15.167 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.918 -12.241 -11.303 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.946 -15.757 -12.331 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.976 -14.452 -10.352 1.00 0.00 H new ATOM 310 N LYS A 160 31.300 -12.041 -16.638 1.00 0.00 N ATOM 311 CA LYS A 160 32.325 -12.754 -17.383 1.00 0.00 C ATOM 312 C LYS A 160 33.615 -11.931 -17.424 1.00 0.00 C ATOM 313 O LYS A 160 34.707 -12.492 -17.389 1.00 0.00 O ATOM 314 CB LYS A 160 31.824 -13.043 -18.808 1.00 0.00 C ATOM 315 CG LYS A 160 31.619 -14.548 -18.998 1.00 0.00 C ATOM 316 CD LYS A 160 30.388 -15.015 -18.209 1.00 0.00 C ATOM 317 CE LYS A 160 30.373 -16.546 -18.128 1.00 0.00 C ATOM 318 NZ LYS A 160 30.428 -17.152 -19.470 1.00 0.00 N ATOM 0 H LYS A 160 30.485 -11.774 -17.190 1.00 0.00 H new ATOM 0 HA LYS A 160 32.537 -13.701 -16.886 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.887 -12.515 -18.987 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.544 -12.671 -19.537 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.490 -14.775 -20.056 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.503 -15.089 -18.661 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.404 -14.589 -17.206 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.478 -14.658 -18.692 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.221 -16.890 -17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.471 -16.877 -17.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.147 -18.152 -19.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.778 -16.647 -20.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.397 -17.086 -19.841 1.00 0.00 H new ATOM 332 N ARG A 161 33.483 -10.603 -17.505 1.00 0.00 N ATOM 333 CA ARG A 161 34.632 -9.715 -17.585 1.00 0.00 C ATOM 334 C ARG A 161 35.273 -9.516 -16.207 1.00 0.00 C ATOM 335 O ARG A 161 36.482 -9.684 -16.061 1.00 0.00 O ATOM 336 CB ARG A 161 34.183 -8.369 -18.169 1.00 0.00 C ATOM 337 CG ARG A 161 33.813 -8.543 -19.646 1.00 0.00 C ATOM 338 CD ARG A 161 33.236 -7.236 -20.192 1.00 0.00 C ATOM 339 NE ARG A 161 32.869 -7.378 -21.607 1.00 0.00 N ATOM 340 CZ ARG A 161 32.242 -6.414 -22.305 1.00 0.00 C ATOM 341 NH1 ARG A 161 31.943 -5.245 -21.723 1.00 0.00 N ATOM 342 NH2 ARG A 161 31.915 -6.625 -23.587 1.00 0.00 N ATOM 0 H ARG A 161 32.583 -10.123 -17.516 1.00 0.00 H new ATOM 0 HA ARG A 161 35.384 -10.164 -18.234 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.327 -7.988 -17.612 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.981 -7.634 -18.069 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.694 -8.830 -20.220 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.085 -9.347 -19.756 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.359 -6.950 -19.611 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.967 -6.436 -20.080 1.00 0.00 H new ATOM 0 HE ARG A 161 33.101 -8.250 -22.083 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.191 -5.083 -20.747 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.468 -4.517 -22.256 1.00 0.00 H new ATOM 0 HH21 ARG A 161 32.141 -7.515 -24.031 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.440 -5.896 -24.119 1.00 0.00 H new ATOM 356 N LEU A 162 34.467 -9.141 -15.204 1.00 0.00 N ATOM 357 CA LEU A 162 34.976 -8.849 -13.866 1.00 0.00 C ATOM 358 C LEU A 162 34.874 -10.074 -12.953 1.00 0.00 C ATOM 359 O LEU A 162 35.882 -10.516 -12.401 1.00 0.00 O ATOM 360 CB LEU A 162 34.186 -7.673 -13.263 1.00 0.00 C ATOM 361 CG LEU A 162 34.198 -6.461 -14.210 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.375 -5.331 -13.587 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.634 -5.978 -14.435 1.00 0.00 C ATOM 0 H LEU A 162 33.457 -9.034 -15.299 1.00 0.00 H new ATOM 0 HA LEU A 162 36.029 -8.581 -13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.158 -7.980 -13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.619 -7.393 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 162 33.769 -6.752 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.379 -4.468 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.350 -5.668 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.810 -5.051 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.628 -5.120 -15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.074 -5.689 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.223 -6.781 -14.878 1.00 0.00 H new ATOM 375 N GLY A 163 33.656 -10.603 -12.781 1.00 0.00 N ATOM 376 CA GLY A 163 33.402 -11.730 -11.887 1.00 0.00 C ATOM 377 C GLY A 163 32.280 -11.354 -10.925 1.00 0.00 C ATOM 378 O GLY A 163 31.352 -10.643 -11.306 1.00 0.00 O ATOM 0 H GLY A 163 32.823 -10.259 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.125 -12.613 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.306 -11.982 -11.332 1.00 0.00 H new ATOM 382 N ASN A 164 32.370 -11.812 -9.669 1.00 0.00 N ATOM 383 CA ASN A 164 31.370 -11.486 -8.652 1.00 0.00 C ATOM 384 C ASN A 164 31.661 -10.098 -8.072 1.00 0.00 C ATOM 385 O ASN A 164 31.538 -9.888 -6.866 1.00 0.00 O ATOM 386 CB ASN A 164 31.395 -12.543 -7.539 1.00 0.00 C ATOM 387 CG ASN A 164 31.232 -13.953 -8.101 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.115 -14.423 -8.289 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.351 -14.629 -8.367 1.00 0.00 N ATOM 0 H ASN A 164 33.127 -12.409 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 164 30.379 -11.480 -9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.336 -12.475 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.596 -12.340 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.298 -15.576 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.260 -14.199 -8.195 1.00 0.00 H new ATOM 396 N ARG A 165 32.055 -9.150 -8.934 1.00 0.00 N ATOM 397 CA ARG A 165 32.391 -7.802 -8.511 1.00 0.00 C ATOM 398 C ARG A 165 31.130 -6.948 -8.521 1.00 0.00 C ATOM 399 O ARG A 165 31.049 -5.956 -9.250 1.00 0.00 O ATOM 400 CB ARG A 165 33.455 -7.214 -9.454 1.00 0.00 C ATOM 401 CG ARG A 165 34.846 -7.780 -9.127 1.00 0.00 C ATOM 402 CD ARG A 165 34.898 -9.282 -9.431 1.00 0.00 C ATOM 403 NE ARG A 165 36.260 -9.711 -9.777 1.00 0.00 N ATOM 404 CZ ARG A 165 37.259 -9.806 -8.882 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.042 -9.520 -7.591 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.476 -10.191 -9.285 1.00 0.00 N ATOM 0 H ARG A 165 32.146 -9.305 -9.938 1.00 0.00 H new ATOM 0 HA ARG A 165 32.799 -7.818 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.198 -7.444 -10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.468 -6.128 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.604 -7.258 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.078 -7.607 -8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.547 -9.843 -8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.222 -9.512 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 165 36.458 -9.950 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.115 -9.228 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.804 -9.594 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.642 -10.411 -10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.237 -10.265 -8.610 1.00 0.00 H new ATOM 420 N TRP A 166 30.138 -7.329 -7.709 1.00 0.00 N ATOM 421 CA TRP A 166 28.891 -6.583 -7.633 1.00 0.00 C ATOM 422 C TRP A 166 29.175 -5.173 -7.139 1.00 0.00 C ATOM 423 O TRP A 166 28.426 -4.263 -7.431 1.00 0.00 O ATOM 424 CB TRP A 166 27.893 -7.277 -6.711 1.00 0.00 C ATOM 425 CG TRP A 166 28.059 -8.750 -6.593 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.552 -9.371 -5.524 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.748 -9.804 -7.551 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.577 -10.731 -5.708 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.083 -11.062 -6.957 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.216 -9.838 -8.860 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.898 -12.276 -7.618 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.030 -11.065 -9.534 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.372 -12.279 -8.913 1.00 0.00 C ATOM 0 H TRP A 166 30.180 -8.146 -7.100 1.00 0.00 H new ATOM 0 HA TRP A 166 28.449 -6.537 -8.628 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.975 -6.837 -5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.885 -7.069 -7.070 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.889 -8.870 -4.628 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.913 -11.404 -5.019 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.948 -8.914 -9.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.159 -13.205 -7.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.622 -11.071 -10.534 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.228 -13.213 -9.436 1.00 0.00 H new ATOM 444 N ALA A 167 30.269 -4.993 -6.392 1.00 0.00 N ATOM 445 CA ALA A 167 30.652 -3.683 -5.900 1.00 0.00 C ATOM 446 C ALA A 167 30.811 -2.714 -7.073 1.00 0.00 C ATOM 447 O ALA A 167 30.605 -1.515 -6.908 1.00 0.00 O ATOM 448 CB ALA A 167 31.959 -3.800 -5.115 1.00 0.00 C ATOM 0 H ALA A 167 30.901 -5.746 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 167 29.877 -3.297 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.250 -2.817 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.819 -4.479 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.742 -4.188 -5.767 1.00 0.00 H new ATOM 454 N GLU A 168 31.174 -3.239 -8.257 1.00 0.00 N ATOM 455 CA GLU A 168 31.356 -2.424 -9.449 1.00 0.00 C ATOM 456 C GLU A 168 30.105 -2.489 -10.327 1.00 0.00 C ATOM 457 O GLU A 168 29.625 -1.458 -10.786 1.00 0.00 O ATOM 458 CB GLU A 168 32.593 -2.910 -10.218 1.00 0.00 C ATOM 459 CG GLU A 168 33.802 -3.009 -9.273 1.00 0.00 C ATOM 460 CD GLU A 168 33.937 -1.761 -8.405 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.956 -0.654 -8.988 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.011 -1.932 -7.169 1.00 0.00 O ATOM 0 H GLU A 168 31.346 -4.234 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 168 31.511 -1.385 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.392 -3.883 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.816 -2.223 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.696 -3.887 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.712 -3.147 -9.857 1.00 0.00 H new ATOM 469 N ILE A 169 29.571 -3.697 -10.561 1.00 0.00 N ATOM 470 CA ILE A 169 28.365 -3.862 -11.376 1.00 0.00 C ATOM 471 C ILE A 169 27.233 -3.002 -10.794 1.00 0.00 C ATOM 472 O ILE A 169 26.469 -2.385 -11.535 1.00 0.00 O ATOM 473 CB ILE A 169 27.955 -5.348 -11.410 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.077 -6.199 -12.031 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.678 -5.512 -12.246 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.002 -7.634 -11.497 1.00 0.00 C ATOM 0 H ILE A 169 29.956 -4.569 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 169 28.566 -3.536 -12.397 1.00 0.00 H new ATOM 0 HB ILE A 169 27.775 -5.683 -10.389 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.985 -6.201 -13.117 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.048 -5.764 -11.794 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.390 -6.563 -12.268 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.874 -4.925 -11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.861 -5.164 -13.263 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.799 -8.230 -11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.116 -7.625 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.037 -8.069 -11.756 1.00 0.00 H new ATOM 488 N ALA A 170 27.140 -2.969 -9.461 1.00 0.00 N ATOM 489 CA ALA A 170 26.119 -2.209 -8.757 1.00 0.00 C ATOM 490 C ALA A 170 26.235 -0.712 -9.082 1.00 0.00 C ATOM 491 O ALA A 170 25.226 -0.016 -9.114 1.00 0.00 O ATOM 492 CB ALA A 170 26.255 -2.463 -7.248 1.00 0.00 C ATOM 0 H ALA A 170 27.776 -3.473 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 170 25.132 -2.536 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.493 -1.896 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.126 -3.526 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.243 -2.147 -6.913 1.00 0.00 H new ATOM 498 N LYS A 171 27.458 -0.209 -9.333 1.00 0.00 N ATOM 499 CA LYS A 171 27.640 1.200 -9.685 1.00 0.00 C ATOM 500 C LYS A 171 26.965 1.481 -11.028 1.00 0.00 C ATOM 501 O LYS A 171 26.337 2.523 -11.201 1.00 0.00 O ATOM 502 CB LYS A 171 29.130 1.558 -9.771 1.00 0.00 C ATOM 503 CG LYS A 171 29.797 1.423 -8.401 1.00 0.00 C ATOM 504 CD LYS A 171 31.201 2.039 -8.464 1.00 0.00 C ATOM 505 CE LYS A 171 31.919 1.867 -7.121 1.00 0.00 C ATOM 506 NZ LYS A 171 32.470 0.508 -6.981 1.00 0.00 N ATOM 0 H LYS A 171 28.320 -0.753 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 171 27.185 1.812 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.626 0.904 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.244 2.578 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.199 1.926 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.859 0.373 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.779 1.563 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.130 3.098 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.723 2.598 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.223 2.066 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.814 0.371 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.727 -0.191 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.258 0.382 -7.648 1.00 0.00 H new ATOM 520 N LEU A 172 27.101 0.545 -11.978 1.00 0.00 N ATOM 521 CA LEU A 172 26.512 0.693 -13.304 1.00 0.00 C ATOM 522 C LEU A 172 24.987 0.658 -13.203 1.00 0.00 C ATOM 523 O LEU A 172 24.303 1.343 -13.961 1.00 0.00 O ATOM 524 CB LEU A 172 27.013 -0.430 -14.226 1.00 0.00 C ATOM 525 CG LEU A 172 28.551 -0.463 -14.266 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.006 -1.600 -15.183 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.097 0.867 -14.798 1.00 0.00 C ATOM 0 H LEU A 172 27.618 -0.324 -11.845 1.00 0.00 H new ATOM 0 HA LEU A 172 26.812 1.652 -13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.634 -1.390 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.622 -0.281 -15.233 1.00 0.00 H new ATOM 0 HG LEU A 172 28.930 -0.623 -13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.095 -1.628 -15.215 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.630 -2.549 -14.800 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.618 -1.435 -16.188 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.186 0.830 -14.821 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.718 1.039 -15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.775 1.679 -14.146 1.00 0.00 H new ATOM 539 N LEU A 173 24.462 -0.142 -12.262 1.00 0.00 N ATOM 540 CA LEU A 173 23.025 -0.268 -12.046 1.00 0.00 C ATOM 541 C LEU A 173 22.697 0.113 -10.596 1.00 0.00 C ATOM 542 O LEU A 173 22.538 -0.768 -9.758 1.00 0.00 O ATOM 543 CB LEU A 173 22.599 -1.718 -12.327 1.00 0.00 C ATOM 544 CG LEU A 173 22.849 -2.086 -13.800 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.652 -3.593 -13.981 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.868 -1.336 -14.708 1.00 0.00 C ATOM 0 H LEU A 173 25.026 -0.715 -11.635 1.00 0.00 H new ATOM 0 HA LEU A 173 22.484 0.398 -12.718 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.154 -2.397 -11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.542 -1.844 -12.091 1.00 0.00 H new ATOM 0 HG LEU A 173 23.867 -1.806 -14.070 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.828 -3.860 -15.023 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.355 -4.131 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.633 -3.863 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.056 -1.605 -15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.846 -1.607 -14.442 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.004 -0.262 -14.581 1.00 0.00 H new ATOM 558 N PRO A 174 22.596 1.427 -10.292 1.00 0.00 N ATOM 559 CA PRO A 174 22.324 1.904 -8.945 1.00 0.00 C ATOM 560 C PRO A 174 21.046 1.285 -8.375 1.00 0.00 C ATOM 561 O PRO A 174 20.995 0.949 -7.193 1.00 0.00 O ATOM 562 CB PRO A 174 22.208 3.427 -9.054 1.00 0.00 C ATOM 563 CG PRO A 174 22.550 3.800 -10.502 1.00 0.00 C ATOM 564 CD PRO A 174 22.754 2.490 -11.263 1.00 0.00 C ATOM 0 HA PRO A 174 23.120 1.616 -8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.201 3.756 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.890 3.917 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.747 4.385 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.451 4.413 -10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.027 2.391 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.743 2.456 -11.720 1.00 0.00 H new ATOM 572 N GLY A 175 20.014 1.136 -9.216 1.00 0.00 N ATOM 573 CA GLY A 175 18.746 0.558 -8.791 1.00 0.00 C ATOM 574 C GLY A 175 18.936 -0.885 -8.314 1.00 0.00 C ATOM 575 O GLY A 175 18.141 -1.384 -7.519 1.00 0.00 O ATOM 0 H GLY A 175 20.040 1.411 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.320 1.158 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.036 0.582 -9.617 1.00 0.00 H new ATOM 579 N ARG A 176 19.990 -1.552 -8.805 1.00 0.00 N ATOM 580 CA ARG A 176 20.285 -2.928 -8.444 1.00 0.00 C ATOM 581 C ARG A 176 21.433 -2.954 -7.436 1.00 0.00 C ATOM 582 O ARG A 176 22.595 -2.818 -7.813 1.00 0.00 O ATOM 583 CB ARG A 176 20.659 -3.712 -9.707 1.00 0.00 C ATOM 584 CG ARG A 176 19.558 -3.586 -10.772 1.00 0.00 C ATOM 585 CD ARG A 176 18.237 -4.138 -10.232 1.00 0.00 C ATOM 586 NE ARG A 176 17.342 -4.515 -11.333 1.00 0.00 N ATOM 587 CZ ARG A 176 16.253 -5.280 -11.164 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.923 -5.731 -9.947 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.493 -5.598 -12.212 1.00 0.00 N ATOM 0 H ARG A 176 20.656 -1.145 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 176 19.410 -3.391 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.602 -3.339 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.812 -4.762 -9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.435 -2.541 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.848 -4.130 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.431 -5.006 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.754 -3.389 -9.604 1.00 0.00 H new ATOM 0 HE ARG A 176 17.559 -4.179 -12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.501 -5.493 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.094 -6.312 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.740 -5.260 -13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.665 -6.180 -12.084 1.00 0.00 H new ATOM 603 N THR A 177 21.109 -3.127 -6.151 1.00 0.00 N ATOM 604 CA THR A 177 22.119 -3.159 -5.104 1.00 0.00 C ATOM 605 C THR A 177 23.012 -4.389 -5.273 1.00 0.00 C ATOM 606 O THR A 177 22.625 -5.364 -5.921 1.00 0.00 O ATOM 607 CB THR A 177 21.438 -3.173 -3.730 1.00 0.00 C ATOM 608 OG1 THR A 177 20.602 -4.307 -3.624 1.00 0.00 O ATOM 609 CG2 THR A 177 20.601 -1.903 -3.550 1.00 0.00 C ATOM 0 H THR A 177 20.153 -3.247 -5.817 1.00 0.00 H new ATOM 0 HA THR A 177 22.743 -2.268 -5.178 1.00 0.00 H new ATOM 0 HB THR A 177 22.203 -3.212 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.170 -4.314 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.120 -1.920 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.247 -1.028 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.839 -1.856 -4.328 1.00 0.00 H new ATOM 617 N ASP A 178 24.209 -4.339 -4.682 1.00 0.00 N ATOM 618 CA ASP A 178 25.156 -5.439 -4.748 1.00 0.00 C ATOM 619 C ASP A 178 24.507 -6.716 -4.215 1.00 0.00 C ATOM 620 O ASP A 178 24.652 -7.782 -4.810 1.00 0.00 O ATOM 621 CB ASP A 178 26.406 -5.080 -3.933 1.00 0.00 C ATOM 622 CG ASP A 178 26.044 -4.703 -2.499 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.456 -3.611 -2.330 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.358 -5.514 -1.603 1.00 0.00 O ATOM 0 H ASP A 178 24.541 -3.536 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 178 25.449 -5.613 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.094 -5.926 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.927 -4.249 -4.409 1.00 0.00 H new ATOM 629 N ASN A 179 23.785 -6.601 -3.094 1.00 0.00 N ATOM 630 CA ASN A 179 23.116 -7.735 -2.482 1.00 0.00 C ATOM 631 C ASN A 179 22.049 -8.297 -3.422 1.00 0.00 C ATOM 632 O ASN A 179 21.928 -9.512 -3.558 1.00 0.00 O ATOM 633 CB ASN A 179 22.488 -7.296 -1.158 1.00 0.00 C ATOM 634 CG ASN A 179 21.743 -8.454 -0.501 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.357 -9.313 0.125 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.417 -8.476 -0.646 1.00 0.00 N ATOM 0 H ASN A 179 23.654 -5.721 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 179 23.844 -8.523 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.264 -6.929 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.801 -6.468 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.871 -9.229 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.950 -7.740 -1.175 1.00 0.00 H new ATOM 643 N ALA A 180 21.273 -7.414 -4.066 1.00 0.00 N ATOM 644 CA ALA A 180 20.211 -7.837 -4.969 1.00 0.00 C ATOM 645 C ALA A 180 20.789 -8.640 -6.133 1.00 0.00 C ATOM 646 O ALA A 180 20.284 -9.717 -6.451 1.00 0.00 O ATOM 647 CB ALA A 180 19.455 -6.610 -5.483 1.00 0.00 C ATOM 0 H ALA A 180 21.367 -6.403 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 180 19.516 -8.479 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.661 -6.928 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.021 -6.071 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.144 -5.955 -6.016 1.00 0.00 H new ATOM 653 N ILE A 181 21.844 -8.119 -6.773 1.00 0.00 N ATOM 654 CA ILE A 181 22.463 -8.794 -7.907 1.00 0.00 C ATOM 655 C ILE A 181 23.078 -10.117 -7.447 1.00 0.00 C ATOM 656 O ILE A 181 22.867 -11.149 -8.078 1.00 0.00 O ATOM 657 CB ILE A 181 23.536 -7.895 -8.545 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.922 -6.559 -8.994 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.122 -8.611 -9.768 1.00 0.00 C ATOM 660 CD1 ILE A 181 24.017 -5.495 -9.100 1.00 0.00 C ATOM 0 H ILE A 181 22.282 -7.233 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 181 21.700 -9.000 -8.658 1.00 0.00 H new ATOM 0 HB ILE A 181 24.315 -7.696 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.427 -6.681 -9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.160 -6.241 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.884 -7.982 -10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.570 -9.555 -9.457 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.329 -8.806 -10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.577 -4.550 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.493 -5.364 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.763 -5.812 -9.829 1.00 0.00 H new ATOM 672 N LYS A 182 23.842 -10.078 -6.347 1.00 0.00 N ATOM 673 CA LYS A 182 24.495 -11.263 -5.806 1.00 0.00 C ATOM 674 C LYS A 182 23.465 -12.363 -5.554 1.00 0.00 C ATOM 675 O LYS A 182 23.649 -13.500 -5.991 1.00 0.00 O ATOM 676 CB LYS A 182 25.217 -10.884 -4.507 1.00 0.00 C ATOM 677 CG LYS A 182 25.961 -12.097 -3.942 1.00 0.00 C ATOM 678 CD LYS A 182 26.713 -11.686 -2.673 1.00 0.00 C ATOM 679 CE LYS A 182 27.465 -12.893 -2.105 1.00 0.00 C ATOM 680 NZ LYS A 182 28.153 -12.545 -0.847 1.00 0.00 N ATOM 0 H LYS A 182 24.020 -9.226 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 182 25.223 -11.644 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.920 -10.073 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.497 -10.517 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.256 -12.898 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.660 -12.486 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.414 -10.882 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.012 -11.300 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.766 -13.710 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.192 -13.249 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.655 -13.380 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.836 -11.781 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.454 -12.228 -0.145 1.00 0.00 H new ATOM 694 N ASN A 183 22.385 -12.020 -4.845 1.00 0.00 N ATOM 695 CA ASN A 183 21.332 -12.968 -4.524 1.00 0.00 C ATOM 696 C ASN A 183 20.719 -13.525 -5.805 1.00 0.00 C ATOM 697 O ASN A 183 20.662 -14.735 -5.984 1.00 0.00 O ATOM 698 CB ASN A 183 20.264 -12.270 -3.677 1.00 0.00 C ATOM 699 CG ASN A 183 19.028 -13.151 -3.523 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.967 -12.832 -4.052 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.167 -14.261 -2.798 1.00 0.00 N ATOM 0 H ASN A 183 22.223 -11.080 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 183 21.751 -13.799 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.671 -12.033 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.986 -11.325 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.372 -14.886 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.069 -14.486 -2.377 1.00 0.00 H new ATOM 708 N HIS A 184 20.258 -12.632 -6.689 1.00 0.00 N ATOM 709 CA HIS A 184 19.626 -13.026 -7.941 1.00 0.00 C ATOM 710 C HIS A 184 20.511 -14.006 -8.710 1.00 0.00 C ATOM 711 O HIS A 184 20.036 -15.056 -9.153 1.00 0.00 O ATOM 712 CB HIS A 184 19.359 -11.775 -8.777 1.00 0.00 C ATOM 713 CG HIS A 184 18.812 -12.092 -10.143 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.818 -13.041 -10.356 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.100 -11.599 -11.390 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.576 -13.058 -11.682 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.326 -12.198 -12.370 1.00 0.00 N ATOM 0 H HIS A 184 20.315 -11.623 -6.552 1.00 0.00 H new ATOM 0 HA HIS A 184 18.683 -13.530 -7.726 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.654 -11.134 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.285 -11.210 -8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.840 -10.837 -11.584 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.845 -13.706 -12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.329 -12.023 -13.375 1.00 0.00 H new ATOM 725 N TRP A 185 21.793 -13.664 -8.872 1.00 0.00 N ATOM 726 CA TRP A 185 22.722 -14.508 -9.598 1.00 0.00 C ATOM 727 C TRP A 185 22.809 -15.878 -8.929 1.00 0.00 C ATOM 728 O TRP A 185 22.603 -16.905 -9.578 1.00 0.00 O ATOM 729 CB TRP A 185 24.096 -13.841 -9.657 1.00 0.00 C ATOM 730 CG TRP A 185 25.113 -14.605 -10.448 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.873 -15.604 -9.982 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.491 -14.459 -11.847 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.701 -16.098 -10.960 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.507 -15.423 -12.148 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.083 -13.615 -12.897 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.081 -15.537 -13.416 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.657 -13.725 -14.179 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.656 -14.682 -14.437 1.00 0.00 C ATOM 0 H TRP A 185 22.203 -12.805 -8.506 1.00 0.00 H new ATOM 0 HA TRP A 185 22.365 -14.646 -10.619 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.987 -12.847 -10.090 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.467 -13.707 -8.641 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.839 -15.974 -8.968 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.367 -16.859 -10.827 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.319 -12.873 -12.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.844 -16.277 -13.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.327 -13.069 -14.971 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.093 -14.756 -15.422 1.00 0.00 H new ATOM 749 N ASN A 186 23.111 -15.891 -7.628 1.00 0.00 N ATOM 750 CA ASN A 186 23.223 -17.129 -6.873 1.00 0.00 C ATOM 751 C ASN A 186 21.835 -17.570 -6.409 1.00 0.00 C ATOM 752 O ASN A 186 21.608 -17.770 -5.217 1.00 0.00 O ATOM 753 CB ASN A 186 24.161 -16.913 -5.679 1.00 0.00 C ATOM 754 CG ASN A 186 25.578 -16.593 -6.149 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.382 -17.497 -6.357 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.882 -15.305 -6.319 1.00 0.00 N ATOM 0 H ASN A 186 23.282 -15.049 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 186 23.640 -17.915 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.786 -16.098 -5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.174 -17.807 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.815 -15.038 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.182 -14.587 -6.134 1.00 0.00 H new ATOM 763 N SER A 187 20.905 -17.721 -7.362 1.00 0.00 N ATOM 764 CA SER A 187 19.545 -18.133 -7.058 1.00 0.00 C ATOM 765 C SER A 187 18.852 -18.636 -8.319 1.00 0.00 C ATOM 766 O SER A 187 18.282 -19.726 -8.312 1.00 0.00 O ATOM 767 CB SER A 187 18.771 -16.953 -6.456 1.00 0.00 C ATOM 768 OG SER A 187 17.406 -17.295 -6.317 1.00 0.00 O ATOM 0 H SER A 187 21.081 -17.561 -8.354 1.00 0.00 H new ATOM 0 HA SER A 187 19.571 -18.946 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.190 -16.689 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.872 -16.076 -7.095 1.00 0.00 H new ATOM 0 HG SER A 187 16.917 -16.539 -5.931 1.00 0.00 H new ATOM 774 N THR A 188 18.885 -17.841 -9.402 1.00 0.00 N ATOM 775 CA THR A 188 18.201 -18.209 -10.638 1.00 0.00 C ATOM 776 C THR A 188 19.061 -17.887 -11.868 1.00 0.00 C ATOM 777 O THR A 188 18.529 -17.530 -12.916 1.00 0.00 O ATOM 778 CB THR A 188 16.851 -17.470 -10.692 1.00 0.00 C ATOM 779 OG1 THR A 188 16.308 -17.380 -9.388 1.00 0.00 O ATOM 780 CG2 THR A 188 15.869 -18.232 -11.588 1.00 0.00 C ATOM 0 H THR A 188 19.376 -16.948 -9.440 1.00 0.00 H new ATOM 0 HA THR A 188 18.027 -19.285 -10.650 1.00 0.00 H new ATOM 0 HB THR A 188 17.013 -16.471 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.450 -16.908 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 188 14.918 -17.701 -11.619 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.277 -18.305 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.712 -19.233 -11.187 1.00 0.00 H new ATOM 788 N MET A 189 20.391 -18.028 -11.748 1.00 0.00 N ATOM 789 CA MET A 189 21.298 -17.805 -12.873 1.00 0.00 C ATOM 790 C MET A 189 22.457 -18.793 -12.792 1.00 0.00 C ATOM 791 O MET A 189 22.526 -19.733 -13.581 1.00 0.00 O ATOM 792 CB MET A 189 21.833 -16.369 -12.868 1.00 0.00 C ATOM 793 CG MET A 189 20.693 -15.358 -13.043 1.00 0.00 C ATOM 794 SD MET A 189 21.247 -13.634 -13.127 1.00 0.00 S ATOM 795 CE MET A 189 22.244 -13.711 -14.633 1.00 0.00 C ATOM 0 H MET A 189 20.857 -18.296 -10.881 1.00 0.00 H new ATOM 0 HA MET A 189 20.748 -17.959 -13.802 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.356 -16.175 -11.931 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.560 -16.245 -13.670 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.144 -15.598 -13.954 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.995 -15.465 -12.213 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.767 -12.765 -14.772 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.972 -14.518 -14.547 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.596 -13.897 -15.489 1.00 0.00 H new ATOM 805 N ARG A 190 23.371 -18.569 -11.831 1.00 0.00 N ATOM 806 CA ARG A 190 24.542 -19.416 -11.645 1.00 0.00 C ATOM 807 C ARG A 190 25.290 -19.554 -12.981 1.00 0.00 C ATOM 808 O ARG A 190 25.684 -18.546 -13.564 1.00 0.00 O ATOM 809 CB ARG A 190 24.107 -20.778 -11.076 1.00 0.00 C ATOM 810 CG ARG A 190 23.337 -20.566 -9.765 1.00 0.00 C ATOM 811 CD ARG A 190 22.964 -21.920 -9.154 1.00 0.00 C ATOM 812 NE ARG A 190 24.153 -22.618 -8.652 1.00 0.00 N ATOM 813 CZ ARG A 190 24.100 -23.822 -8.055 1.00 0.00 C ATOM 814 NH1 ARG A 190 22.924 -24.446 -7.897 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.226 -24.399 -7.617 1.00 0.00 N ATOM 0 H ARG A 190 23.311 -17.796 -11.168 1.00 0.00 H new ATOM 0 HA ARG A 190 25.228 -18.966 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.480 -21.301 -11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.981 -21.405 -10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 190 23.946 -19.996 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.436 -19.982 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.254 -21.772 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 190 22.466 -22.536 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 190 25.062 -22.169 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.065 -24.008 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.888 -25.359 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.122 -23.925 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.188 -25.312 -7.164 1.00 0.00 H new