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= -0.244 K(o=0.058,f=-3.8) USER MOD Set 1.2: A 164 ASN : amide:sc= 0.302 X(o=0.058,f=-0.055) USER MOD Set 2.1: A 156 TYR OH : rot 150:sc= 0.814 USER MOD Set 2.2: A 160 LYS NZ :NH3+ 173:sc= 0.92 (180deg=-0.0843) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00082 USER MOD Single : A 157 GLN : amide:sc= 0.688 K(o=0.69,f=-11!) USER MOD Single : A 171 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.19) USER MOD Single : A 177 THR OG1 : rot -59:sc= 1.3 USER MOD Single : A 179 ASN : amide:sc= -0.67 K(o=-0.67,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.576 X(o=-0.58,f=-1.1) USER MOD Single : A 184 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.25) USER MOD Single : A 186 ASN : amide:sc= 1.9 K(o=1.9,f=-3.7!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -151:sc= -1.05 (180deg=-1.95) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 14.141 -8.998 -12.404 1.00 0.00 N ATOM 89 CA TRP A 147 15.236 -9.257 -13.339 1.00 0.00 C ATOM 90 C TRP A 147 14.712 -9.833 -14.656 1.00 0.00 C ATOM 91 O TRP A 147 14.377 -11.016 -14.740 1.00 0.00 O ATOM 92 CB TRP A 147 16.263 -10.193 -12.697 1.00 0.00 C ATOM 93 CG TRP A 147 17.037 -9.575 -11.583 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.901 -9.851 -10.276 1.00 0.00 C ATOM 95 CD2 TRP A 147 18.076 -8.562 -11.658 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.778 -9.105 -9.524 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.539 -8.284 -10.336 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.681 -7.846 -12.711 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.549 -7.356 -10.079 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.697 -6.904 -12.457 1.00 0.00 C ATOM 101 CH2 TRP A 147 20.130 -6.662 -11.146 1.00 0.00 C ATOM 0 HA TRP A 147 15.726 -8.311 -13.570 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.748 -11.077 -12.321 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.959 -10.532 -13.464 1.00 0.00 H new ATOM 0 HD1 TRP A 147 16.198 -10.563 -9.870 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.856 -9.151 -8.508 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.361 -8.022 -13.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.879 -7.175 -9.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.145 -6.364 -13.278 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.912 -5.940 -10.960 1.00 0.00 H new ATOM 112 N THR A 148 14.652 -8.983 -15.686 1.00 0.00 N ATOM 113 CA THR A 148 14.190 -9.384 -17.006 1.00 0.00 C ATOM 114 C THR A 148 15.385 -9.817 -17.860 1.00 0.00 C ATOM 115 O THR A 148 16.532 -9.548 -17.507 1.00 0.00 O ATOM 116 CB THR A 148 13.458 -8.205 -17.660 1.00 0.00 C ATOM 117 OG1 THR A 148 14.332 -7.100 -17.749 1.00 0.00 O ATOM 118 CG2 THR A 148 12.236 -7.822 -16.820 1.00 0.00 C ATOM 0 H THR A 148 14.923 -8.002 -15.622 1.00 0.00 H new ATOM 0 HA THR A 148 13.503 -10.226 -16.921 1.00 0.00 H new ATOM 0 HB THR A 148 13.131 -8.495 -18.659 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.866 -6.347 -18.168 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.720 -6.984 -17.289 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.559 -8.674 -16.753 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.558 -7.535 -15.819 1.00 0.00 H new ATOM 126 N GLU A 149 15.106 -10.485 -18.989 1.00 0.00 N ATOM 127 CA GLU A 149 16.145 -10.952 -19.902 1.00 0.00 C ATOM 128 C GLU A 149 17.076 -9.795 -20.281 1.00 0.00 C ATOM 129 O GLU A 149 18.291 -9.978 -20.385 1.00 0.00 O ATOM 130 CB GLU A 149 15.479 -11.547 -21.150 1.00 0.00 C ATOM 131 CG GLU A 149 16.530 -12.221 -22.037 1.00 0.00 C ATOM 132 CD GLU A 149 15.875 -12.878 -23.245 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.236 -13.933 -23.040 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.024 -12.314 -24.350 1.00 0.00 O ATOM 0 H GLU A 149 14.158 -10.713 -19.288 1.00 0.00 H new ATOM 0 HA GLU A 149 16.747 -11.720 -19.416 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.721 -12.273 -20.856 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.969 -10.762 -21.709 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.260 -11.483 -22.370 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.074 -12.969 -21.460 1.00 0.00 H new ATOM 141 N GLU A 150 16.497 -8.604 -20.483 1.00 0.00 N ATOM 142 CA GLU A 150 17.256 -7.417 -20.840 1.00 0.00 C ATOM 143 C GLU A 150 18.386 -7.197 -19.831 1.00 0.00 C ATOM 144 O GLU A 150 19.545 -7.052 -20.218 1.00 0.00 O ATOM 145 CB GLU A 150 16.303 -6.211 -20.871 1.00 0.00 C ATOM 146 CG GLU A 150 17.041 -4.952 -21.344 1.00 0.00 C ATOM 147 CD GLU A 150 17.551 -5.114 -22.770 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.713 -5.418 -23.643 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.773 -4.934 -22.962 1.00 0.00 O ATOM 0 H GLU A 150 15.493 -8.445 -20.402 1.00 0.00 H new ATOM 0 HA GLU A 150 17.706 -7.541 -21.825 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.465 -6.420 -21.536 1.00 0.00 H new ATOM 0 HB3 GLU A 150 15.887 -6.044 -19.877 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.372 -4.093 -21.290 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.878 -4.746 -20.677 1.00 0.00 H new ATOM 156 N GLU A 151 18.041 -7.175 -18.539 1.00 0.00 N ATOM 157 CA GLU A 151 19.013 -6.960 -17.479 1.00 0.00 C ATOM 158 C GLU A 151 19.972 -8.148 -17.387 1.00 0.00 C ATOM 159 O GLU A 151 21.184 -7.958 -17.308 1.00 0.00 O ATOM 160 CB GLU A 151 18.284 -6.770 -16.146 1.00 0.00 C ATOM 161 CG GLU A 151 17.373 -5.540 -16.203 1.00 0.00 C ATOM 162 CD GLU A 151 16.802 -5.230 -14.822 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.615 -4.906 -13.932 1.00 0.00 O ATOM 164 OE2 GLU A 151 15.563 -5.321 -14.677 1.00 0.00 O ATOM 0 H GLU A 151 17.085 -7.305 -18.207 1.00 0.00 H new ATOM 0 HA GLU A 151 19.592 -6.065 -17.705 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.693 -7.657 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.010 -6.655 -15.341 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.935 -4.682 -16.571 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.560 -5.715 -16.908 1.00 0.00 H new ATOM 171 N ASP A 152 19.422 -9.371 -17.386 1.00 0.00 N ATOM 172 CA ASP A 152 20.214 -10.595 -17.265 1.00 0.00 C ATOM 173 C ASP A 152 21.393 -10.578 -18.240 1.00 0.00 C ATOM 174 O ASP A 152 22.507 -10.952 -17.871 1.00 0.00 O ATOM 175 CB ASP A 152 19.318 -11.813 -17.528 1.00 0.00 C ATOM 176 CG ASP A 152 18.196 -11.923 -16.495 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.294 -11.226 -15.464 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.258 -12.708 -16.760 1.00 0.00 O ATOM 0 H ASP A 152 18.419 -9.535 -17.469 1.00 0.00 H new ATOM 0 HA ASP A 152 20.616 -10.656 -16.254 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.887 -11.739 -18.527 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.922 -12.720 -17.508 1.00 0.00 H new ATOM 183 N ARG A 153 21.151 -10.146 -19.483 1.00 0.00 N ATOM 184 CA ARG A 153 22.195 -10.084 -20.496 1.00 0.00 C ATOM 185 C ARG A 153 23.362 -9.220 -20.003 1.00 0.00 C ATOM 186 O ARG A 153 24.524 -9.602 -20.145 1.00 0.00 O ATOM 187 CB ARG A 153 21.609 -9.512 -21.790 1.00 0.00 C ATOM 188 CG ARG A 153 22.587 -9.747 -22.948 1.00 0.00 C ATOM 189 CD ARG A 153 22.028 -9.149 -24.244 1.00 0.00 C ATOM 190 NE ARG A 153 22.091 -7.676 -24.221 1.00 0.00 N ATOM 191 CZ ARG A 153 21.052 -6.881 -23.886 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.874 -7.402 -23.526 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.198 -5.554 -23.910 1.00 0.00 N ATOM 0 H ARG A 153 20.235 -9.834 -19.806 1.00 0.00 H new ATOM 0 HA ARG A 153 22.575 -11.087 -20.689 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.652 -9.986 -22.008 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.418 -8.445 -21.674 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.551 -9.294 -22.717 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.759 -10.816 -23.077 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.594 -9.527 -25.096 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.995 -9.470 -24.380 1.00 0.00 H new ATOM 0 HE ARG A 153 22.973 -7.230 -24.473 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.750 -8.414 -23.501 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.099 -6.787 -23.276 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.092 -5.144 -24.181 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.416 -4.950 -23.658 1.00 0.00 H new ATOM 207 N ILE A 154 23.048 -8.052 -19.426 1.00 0.00 N ATOM 208 CA ILE A 154 24.065 -7.134 -18.932 1.00 0.00 C ATOM 209 C ILE A 154 24.802 -7.758 -17.746 1.00 0.00 C ATOM 210 O ILE A 154 26.026 -7.661 -17.664 1.00 0.00 O ATOM 211 CB ILE A 154 23.412 -5.800 -18.525 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.598 -5.209 -19.697 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.498 -4.805 -18.091 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.440 -5.130 -20.976 1.00 0.00 C ATOM 0 H ILE A 154 22.091 -7.726 -19.293 1.00 0.00 H new ATOM 0 HA ILE A 154 24.789 -6.940 -19.724 1.00 0.00 H new ATOM 0 HB ILE A 154 22.733 -5.985 -17.693 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.716 -5.824 -19.877 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.243 -4.213 -19.431 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.033 -3.862 -17.804 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.047 -5.213 -17.242 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.186 -4.633 -18.919 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.839 -4.710 -21.782 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.308 -4.494 -20.802 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.773 -6.130 -21.255 1.00 0.00 H new ATOM 226 N ILE A 155 24.062 -8.399 -16.829 1.00 0.00 N ATOM 227 CA ILE A 155 24.667 -9.034 -15.663 1.00 0.00 C ATOM 228 C ILE A 155 25.693 -10.063 -16.127 1.00 0.00 C ATOM 229 O ILE A 155 26.809 -10.089 -15.627 1.00 0.00 O ATOM 230 CB ILE A 155 23.591 -9.709 -14.798 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.582 -8.669 -14.294 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.256 -10.388 -13.591 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.337 -9.380 -13.759 1.00 0.00 C ATOM 0 H ILE A 155 23.047 -8.488 -16.878 1.00 0.00 H new ATOM 0 HA ILE A 155 25.162 -8.274 -15.058 1.00 0.00 H new ATOM 0 HB ILE A 155 23.069 -10.450 -15.403 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.032 -8.061 -13.509 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.307 -7.992 -15.103 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.493 -10.867 -12.977 1.00 0.00 H new ATOM 0 HG22 ILE A 155 24.965 -11.139 -13.941 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.783 -9.641 -12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.621 -8.640 -13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 155 20.883 -9.968 -14.556 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.619 -10.039 -12.938 1.00 0.00 H new ATOM 245 N TYR A 156 25.305 -10.911 -17.087 1.00 0.00 N ATOM 246 CA TYR A 156 26.187 -11.940 -17.613 1.00 0.00 C ATOM 247 C TYR A 156 27.434 -11.303 -18.222 1.00 0.00 C ATOM 248 O TYR A 156 28.549 -11.674 -17.871 1.00 0.00 O ATOM 249 CB TYR A 156 25.434 -12.771 -18.656 1.00 0.00 C ATOM 250 CG TYR A 156 26.268 -13.894 -19.236 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.320 -15.140 -18.584 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.997 -13.693 -20.423 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.102 -16.179 -19.116 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.777 -14.734 -20.954 1.00 0.00 C ATOM 255 CZ TYR A 156 27.831 -15.976 -20.300 1.00 0.00 C ATOM 256 OH TYR A 156 28.595 -16.983 -20.812 1.00 0.00 O ATOM 0 H TYR A 156 24.378 -10.898 -17.513 1.00 0.00 H new ATOM 0 HA TYR A 156 26.505 -12.597 -16.803 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.538 -13.191 -18.199 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.104 -12.117 -19.463 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.759 -15.298 -17.675 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.957 -12.738 -20.926 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.143 -17.135 -18.614 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.335 -14.579 -21.865 1.00 0.00 H new ATOM 0 HH TYR A 156 28.640 -16.896 -21.787 1.00 0.00 H new ATOM 266 N GLN A 157 27.238 -10.348 -19.135 1.00 0.00 N ATOM 267 CA GLN A 157 28.340 -9.675 -19.810 1.00 0.00 C ATOM 268 C GLN A 157 29.330 -9.099 -18.793 1.00 0.00 C ATOM 269 O GLN A 157 30.538 -9.300 -18.921 1.00 0.00 O ATOM 270 CB GLN A 157 27.758 -8.574 -20.710 1.00 0.00 C ATOM 271 CG GLN A 157 28.883 -7.756 -21.360 1.00 0.00 C ATOM 272 CD GLN A 157 29.237 -6.531 -20.519 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.354 -6.419 -20.021 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.285 -5.613 -20.363 1.00 0.00 N ATOM 0 H GLN A 157 26.315 -10.024 -19.423 1.00 0.00 H new ATOM 0 HA GLN A 157 28.892 -10.388 -20.422 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.133 -9.021 -21.483 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.117 -7.917 -20.122 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.766 -8.383 -21.483 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.576 -7.439 -22.357 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.371 -5.748 -20.795 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.470 -4.775 -19.811 1.00 0.00 H new ATOM 283 N ALA A 158 28.822 -8.379 -17.790 1.00 0.00 N ATOM 284 CA ALA A 158 29.665 -7.757 -16.783 1.00 0.00 C ATOM 285 C ALA A 158 30.348 -8.817 -15.915 1.00 0.00 C ATOM 286 O ALA A 158 31.568 -8.811 -15.779 1.00 0.00 O ATOM 287 CB ALA A 158 28.811 -6.825 -15.922 1.00 0.00 C ATOM 0 H ALA A 158 27.824 -8.215 -17.659 1.00 0.00 H new ATOM 0 HA ALA A 158 30.447 -7.180 -17.276 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.437 -6.355 -15.164 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.364 -6.056 -16.552 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.022 -7.400 -15.436 1.00 0.00 H new ATOM 293 N HIS A 159 29.555 -9.716 -15.325 1.00 0.00 N ATOM 294 CA HIS A 159 30.061 -10.749 -14.427 1.00 0.00 C ATOM 295 C HIS A 159 31.113 -11.627 -15.110 1.00 0.00 C ATOM 296 O HIS A 159 32.052 -12.070 -14.463 1.00 0.00 O ATOM 297 CB HIS A 159 28.891 -11.608 -13.941 1.00 0.00 C ATOM 298 CG HIS A 159 29.327 -12.675 -12.972 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.764 -13.929 -13.381 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.412 -12.702 -11.605 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.077 -14.615 -12.264 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.885 -13.920 -11.143 1.00 0.00 N ATOM 0 H HIS A 159 28.544 -9.745 -15.459 1.00 0.00 H new ATOM 0 HA HIS A 159 30.544 -10.263 -13.579 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.148 -10.969 -13.464 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.406 -12.075 -14.798 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.143 -11.875 -10.965 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.447 -15.629 -12.276 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.047 -14.213 -10.180 1.00 0.00 H new ATOM 310 N LYS A 160 30.956 -11.892 -16.407 1.00 0.00 N ATOM 311 CA LYS A 160 31.889 -12.746 -17.128 1.00 0.00 C ATOM 312 C LYS A 160 33.298 -12.142 -17.122 1.00 0.00 C ATOM 313 O LYS A 160 34.281 -12.878 -17.159 1.00 0.00 O ATOM 314 CB LYS A 160 31.387 -12.947 -18.563 1.00 0.00 C ATOM 315 CG LYS A 160 32.136 -14.109 -19.224 1.00 0.00 C ATOM 316 CD LYS A 160 31.609 -14.308 -20.649 1.00 0.00 C ATOM 317 CE LYS A 160 32.151 -15.618 -21.232 1.00 0.00 C ATOM 318 NZ LYS A 160 31.462 -16.786 -20.651 1.00 0.00 N ATOM 0 H LYS A 160 30.192 -11.527 -16.975 1.00 0.00 H new ATOM 0 HA LYS A 160 31.945 -13.714 -16.630 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.316 -13.151 -18.557 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.535 -12.034 -19.140 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.206 -13.901 -19.246 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.000 -15.021 -18.643 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.519 -14.327 -20.643 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.910 -13.469 -21.277 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.023 -15.618 -22.314 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.221 -15.690 -21.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.763 -17.649 -21.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.702 -16.864 -19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.434 -16.669 -20.754 1.00 0.00 H new ATOM 332 N ARG A 161 33.393 -10.806 -17.085 1.00 0.00 N ATOM 333 CA ARG A 161 34.680 -10.119 -17.122 1.00 0.00 C ATOM 334 C ARG A 161 35.143 -9.723 -15.717 1.00 0.00 C ATOM 335 O ARG A 161 36.311 -9.898 -15.379 1.00 0.00 O ATOM 336 CB ARG A 161 34.547 -8.865 -17.990 1.00 0.00 C ATOM 337 CG ARG A 161 34.131 -9.249 -19.414 1.00 0.00 C ATOM 338 CD ARG A 161 34.055 -7.995 -20.292 1.00 0.00 C ATOM 339 NE ARG A 161 33.049 -7.046 -19.781 1.00 0.00 N ATOM 340 CZ ARG A 161 33.339 -5.986 -18.998 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.599 -5.742 -18.605 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.355 -5.170 -18.607 1.00 0.00 N ATOM 0 H ARG A 161 32.588 -10.182 -17.029 1.00 0.00 H new ATOM 0 HA ARG A 161 35.424 -10.796 -17.541 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.808 -8.191 -17.557 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.495 -8.327 -18.013 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.848 -9.954 -19.834 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.163 -9.750 -19.397 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.031 -7.511 -20.325 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.805 -8.278 -21.314 1.00 0.00 H new ATOM 0 HE ARG A 161 32.073 -7.200 -20.035 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.354 -6.362 -18.898 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.802 -4.936 -18.013 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.395 -5.351 -18.901 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.564 -4.366 -18.015 1.00 0.00 H new ATOM 356 N LEU A 162 34.232 -9.165 -14.914 1.00 0.00 N ATOM 357 CA LEU A 162 34.567 -8.648 -13.589 1.00 0.00 C ATOM 358 C LEU A 162 34.494 -9.740 -12.519 1.00 0.00 C ATOM 359 O LEU A 162 35.098 -9.598 -11.458 1.00 0.00 O ATOM 360 CB LEU A 162 33.606 -7.502 -13.241 1.00 0.00 C ATOM 361 CG LEU A 162 33.628 -6.417 -14.334 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.624 -5.321 -13.974 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.028 -5.805 -14.446 1.00 0.00 C ATOM 0 H LEU A 162 33.249 -9.061 -15.164 1.00 0.00 H new ATOM 0 HA LEU A 162 35.594 -8.283 -13.611 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.594 -7.891 -13.130 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.887 -7.065 -12.283 1.00 0.00 H new ATOM 0 HG LEU A 162 33.362 -6.868 -15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.635 -4.550 -14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.625 -5.751 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.895 -4.880 -13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.030 -5.040 -15.222 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.306 -5.356 -13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.746 -6.584 -14.703 1.00 0.00 H new ATOM 375 N GLY A 163 33.755 -10.819 -12.782 1.00 0.00 N ATOM 376 CA GLY A 163 33.592 -11.894 -11.815 1.00 0.00 C ATOM 377 C GLY A 163 32.531 -11.502 -10.790 1.00 0.00 C ATOM 378 O GLY A 163 31.613 -10.748 -11.108 1.00 0.00 O ATOM 0 H GLY A 163 33.260 -10.967 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.300 -12.813 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.540 -12.094 -11.315 1.00 0.00 H new ATOM 382 N ASN A 164 32.658 -12.006 -9.554 1.00 0.00 N ATOM 383 CA ASN A 164 31.698 -11.704 -8.492 1.00 0.00 C ATOM 384 C ASN A 164 31.995 -10.335 -7.869 1.00 0.00 C ATOM 385 O ASN A 164 31.700 -10.116 -6.695 1.00 0.00 O ATOM 386 CB ASN A 164 31.752 -12.795 -7.414 1.00 0.00 C ATOM 387 CG ASN A 164 31.565 -14.186 -8.015 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.439 -14.647 -8.179 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.672 -14.857 -8.339 1.00 0.00 N ATOM 0 H ASN A 164 33.418 -12.624 -9.269 1.00 0.00 H new ATOM 0 HA ASN A 164 30.698 -11.676 -8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.709 -12.748 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.977 -12.612 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.602 -15.792 -8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.588 -14.435 -8.185 1.00 0.00 H new ATOM 396 N ARG A 165 32.573 -9.410 -8.649 1.00 0.00 N ATOM 397 CA ARG A 165 32.878 -8.076 -8.160 1.00 0.00 C ATOM 398 C ARG A 165 31.637 -7.203 -8.301 1.00 0.00 C ATOM 399 O ARG A 165 31.623 -6.250 -9.082 1.00 0.00 O ATOM 400 CB ARG A 165 34.058 -7.493 -8.945 1.00 0.00 C ATOM 401 CG ARG A 165 35.346 -8.228 -8.565 1.00 0.00 C ATOM 402 CD ARG A 165 36.540 -7.555 -9.249 1.00 0.00 C ATOM 403 NE ARG A 165 37.806 -8.184 -8.845 1.00 0.00 N ATOM 404 CZ ARG A 165 38.272 -9.328 -9.381 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.575 -9.971 -10.329 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.442 -9.828 -8.963 1.00 0.00 N ATOM 0 H ARG A 165 32.835 -9.571 -9.621 1.00 0.00 H new ATOM 0 HA ARG A 165 33.162 -8.115 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.877 -7.587 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.159 -6.429 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.479 -8.215 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.283 -9.274 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.427 -7.620 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.559 -6.495 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 165 38.361 -7.729 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.683 -9.594 -10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.937 -10.837 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.976 -9.343 -8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.799 -10.694 -9.366 1.00 0.00 H new ATOM 420 N TRP A 166 30.590 -7.533 -7.536 1.00 0.00 N ATOM 421 CA TRP A 166 29.342 -6.784 -7.571 1.00 0.00 C ATOM 422 C TRP A 166 29.589 -5.339 -7.156 1.00 0.00 C ATOM 423 O TRP A 166 28.781 -4.480 -7.446 1.00 0.00 O ATOM 424 CB TRP A 166 28.307 -7.427 -6.648 1.00 0.00 C ATOM 425 CG TRP A 166 28.436 -8.903 -6.490 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.977 -9.514 -5.435 1.00 0.00 C ATOM 427 CD2 TRP A 166 28.040 -9.970 -7.398 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.962 -10.878 -5.591 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.388 -11.222 -6.800 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.426 -10.017 -8.668 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.142 -12.445 -7.426 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.172 -11.252 -9.304 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.534 -12.462 -8.684 1.00 0.00 C ATOM 0 H TRP A 166 30.589 -8.318 -6.885 1.00 0.00 H new ATOM 0 HA TRP A 166 28.955 -6.799 -8.590 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.382 -6.963 -5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.311 -7.203 -7.031 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.375 -9.003 -4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.324 -11.545 -4.909 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.147 -9.097 -9.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.419 -13.370 -6.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.696 -11.268 -10.273 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.342 -13.402 -9.180 1.00 0.00 H new ATOM 444 N ALA A 167 30.712 -5.069 -6.480 1.00 0.00 N ATOM 445 CA ALA A 167 31.054 -3.716 -6.077 1.00 0.00 C ATOM 446 C ALA A 167 31.086 -2.802 -7.305 1.00 0.00 C ATOM 447 O ALA A 167 30.800 -1.613 -7.196 1.00 0.00 O ATOM 448 CB ALA A 167 32.412 -3.727 -5.374 1.00 0.00 C ATOM 0 H ALA A 167 31.394 -5.775 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 167 30.303 -3.335 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.672 -2.713 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 167 32.361 -4.368 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 167 33.172 -4.108 -6.056 1.00 0.00 H new ATOM 454 N GLU A 168 31.434 -3.366 -8.473 1.00 0.00 N ATOM 455 CA GLU A 168 31.500 -2.615 -9.717 1.00 0.00 C ATOM 456 C GLU A 168 30.143 -2.646 -10.424 1.00 0.00 C ATOM 457 O GLU A 168 29.625 -1.605 -10.816 1.00 0.00 O ATOM 458 CB GLU A 168 32.581 -3.223 -10.615 1.00 0.00 C ATOM 459 CG GLU A 168 33.947 -3.129 -9.930 1.00 0.00 C ATOM 460 CD GLU A 168 35.039 -3.690 -10.833 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.530 -2.912 -11.677 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.358 -4.886 -10.662 1.00 0.00 O ATOM 0 H GLU A 168 31.675 -4.352 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 168 31.751 -1.576 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.344 -4.265 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.608 -2.700 -11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.167 -2.090 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.927 -3.679 -8.989 1.00 0.00 H new ATOM 469 N ILE A 169 29.573 -3.848 -10.589 1.00 0.00 N ATOM 470 CA ILE A 169 28.291 -4.020 -11.279 1.00 0.00 C ATOM 471 C ILE A 169 27.210 -3.182 -10.586 1.00 0.00 C ATOM 472 O ILE A 169 26.358 -2.587 -11.243 1.00 0.00 O ATOM 473 CB ILE A 169 27.892 -5.511 -11.293 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.084 -6.388 -11.728 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.728 -5.714 -12.273 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.670 -7.861 -11.746 1.00 0.00 C ATOM 0 H ILE A 169 29.984 -4.718 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 169 28.391 -3.679 -12.309 1.00 0.00 H new ATOM 0 HB ILE A 169 27.591 -5.804 -10.287 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.427 -6.086 -12.718 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.920 -6.245 -11.044 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.443 -6.766 -12.286 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.877 -5.111 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.037 -5.409 -13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.517 -8.473 -12.054 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.349 -8.161 -10.748 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.848 -7.999 -12.448 1.00 0.00 H new ATOM 488 N ALA A 170 27.258 -3.145 -9.253 1.00 0.00 N ATOM 489 CA ALA A 170 26.309 -2.398 -8.444 1.00 0.00 C ATOM 490 C ALA A 170 26.282 -0.923 -8.866 1.00 0.00 C ATOM 491 O ALA A 170 25.225 -0.298 -8.837 1.00 0.00 O ATOM 492 CB ALA A 170 26.696 -2.541 -6.966 1.00 0.00 C ATOM 0 H ALA A 170 27.964 -3.638 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 170 25.306 -2.798 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.990 -1.984 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.672 -3.594 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.701 -2.147 -6.813 1.00 0.00 H new ATOM 498 N LYS A 171 27.438 -0.367 -9.266 1.00 0.00 N ATOM 499 CA LYS A 171 27.506 1.024 -9.707 1.00 0.00 C ATOM 500 C LYS A 171 26.768 1.179 -11.037 1.00 0.00 C ATOM 501 O LYS A 171 26.094 2.182 -11.256 1.00 0.00 O ATOM 502 CB LYS A 171 28.966 1.466 -9.864 1.00 0.00 C ATOM 503 CG LYS A 171 29.691 1.397 -8.519 1.00 0.00 C ATOM 504 CD LYS A 171 31.057 2.082 -8.646 1.00 0.00 C ATOM 505 CE LYS A 171 31.841 1.945 -7.337 1.00 0.00 C ATOM 506 NZ LYS A 171 32.418 0.596 -7.198 1.00 0.00 N ATOM 0 H LYS A 171 28.330 -0.862 -9.291 1.00 0.00 H new ATOM 0 HA LYS A 171 27.032 1.655 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.470 0.827 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.005 2.483 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.097 1.885 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.819 0.358 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.621 1.635 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.922 3.136 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.638 2.688 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.183 2.150 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.985 0.549 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.652 -0.106 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.025 0.392 -8.018 1.00 0.00 H new ATOM 520 N LEU A 172 26.901 0.182 -11.923 1.00 0.00 N ATOM 521 CA LEU A 172 26.252 0.213 -13.227 1.00 0.00 C ATOM 522 C LEU A 172 24.735 0.117 -13.058 1.00 0.00 C ATOM 523 O LEU A 172 23.990 0.678 -13.860 1.00 0.00 O ATOM 524 CB LEU A 172 26.767 -0.944 -14.099 1.00 0.00 C ATOM 525 CG LEU A 172 28.301 -0.907 -14.212 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.769 -2.072 -15.087 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.755 0.413 -14.843 1.00 0.00 C ATOM 0 H LEU A 172 27.456 -0.656 -11.752 1.00 0.00 H new ATOM 0 HA LEU A 172 26.490 1.155 -13.721 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.453 -1.896 -13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.324 -0.881 -15.093 1.00 0.00 H new ATOM 0 HG LEU A 172 28.733 -0.991 -13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.856 -2.051 -15.171 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.458 -3.014 -14.635 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.327 -1.982 -16.079 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.842 0.426 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.322 0.508 -15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.424 1.246 -14.223 1.00 0.00 H new ATOM 539 N LEU A 173 24.282 -0.595 -12.012 1.00 0.00 N ATOM 540 CA LEU A 173 22.859 -0.765 -11.734 1.00 0.00 C ATOM 541 C LEU A 173 22.542 -0.252 -10.321 1.00 0.00 C ATOM 542 O LEU A 173 22.397 -1.050 -9.392 1.00 0.00 O ATOM 543 CB LEU A 173 22.495 -2.252 -11.863 1.00 0.00 C ATOM 544 CG LEU A 173 22.775 -2.763 -13.287 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.649 -4.288 -13.307 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.767 -2.161 -14.273 1.00 0.00 C ATOM 0 H LEU A 173 24.894 -1.063 -11.343 1.00 0.00 H new ATOM 0 HA LEU A 173 22.270 -0.191 -12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.070 -2.835 -11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.442 -2.395 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 173 23.782 -2.466 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.846 -4.656 -14.314 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.370 -4.722 -12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.641 -4.574 -13.007 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.975 -2.530 -15.277 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.757 -2.450 -13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.851 -1.074 -14.261 1.00 0.00 H new ATOM 558 N PRO A 174 22.433 1.085 -10.148 1.00 0.00 N ATOM 559 CA PRO A 174 22.155 1.687 -8.857 1.00 0.00 C ATOM 560 C PRO A 174 20.783 1.258 -8.333 1.00 0.00 C ATOM 561 O PRO A 174 20.604 1.106 -7.128 1.00 0.00 O ATOM 562 CB PRO A 174 22.213 3.201 -9.079 1.00 0.00 C ATOM 563 CG PRO A 174 22.395 3.426 -10.584 1.00 0.00 C ATOM 564 CD PRO A 174 22.585 2.049 -11.219 1.00 0.00 C ATOM 0 HA PRO A 174 22.879 1.369 -8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.299 3.678 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.039 3.641 -8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.526 3.930 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.258 4.063 -10.778 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.849 1.878 -12.004 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.569 1.966 -11.681 1.00 0.00 H new ATOM 572 N GLY A 175 19.814 1.064 -9.239 1.00 0.00 N ATOM 573 CA GLY A 175 18.464 0.668 -8.856 1.00 0.00 C ATOM 574 C GLY A 175 18.377 -0.840 -8.592 1.00 0.00 C ATOM 575 O GLY A 175 17.285 -1.406 -8.634 1.00 0.00 O ATOM 0 H GLY A 175 19.947 1.177 -10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.163 1.213 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.765 0.941 -9.646 1.00 0.00 H new ATOM 579 N ARG A 176 19.524 -1.487 -8.321 1.00 0.00 N ATOM 580 CA ARG A 176 19.575 -2.918 -8.039 1.00 0.00 C ATOM 581 C ARG A 176 20.539 -3.162 -6.878 1.00 0.00 C ATOM 582 O ARG A 176 20.187 -3.832 -5.915 1.00 0.00 O ATOM 583 CB ARG A 176 20.044 -3.683 -9.286 1.00 0.00 C ATOM 584 CG ARG A 176 19.080 -3.468 -10.467 1.00 0.00 C ATOM 585 CD ARG A 176 17.765 -4.218 -10.229 1.00 0.00 C ATOM 586 NE ARG A 176 16.921 -4.173 -11.432 1.00 0.00 N ATOM 587 CZ ARG A 176 15.865 -3.350 -11.578 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.626 -2.377 -10.683 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.047 -3.503 -12.627 1.00 0.00 N ATOM 0 H ARG A 176 20.434 -1.028 -8.293 1.00 0.00 H new ATOM 0 HA ARG A 176 18.581 -3.274 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.044 -3.351 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.113 -4.747 -9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.881 -2.404 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.543 -3.817 -11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.974 -5.254 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.233 -3.774 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 176 17.149 -4.802 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.247 -2.256 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.823 -1.759 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.225 -4.240 -13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.245 -2.883 -12.743 1.00 0.00 H new ATOM 603 N THR A 177 21.756 -2.602 -6.992 1.00 0.00 N ATOM 604 CA THR A 177 22.817 -2.718 -5.983 1.00 0.00 C ATOM 605 C THR A 177 23.312 -4.165 -5.853 1.00 0.00 C ATOM 606 O THR A 177 22.722 -5.097 -6.405 1.00 0.00 O ATOM 607 CB THR A 177 22.373 -2.154 -4.610 1.00 0.00 C ATOM 608 OG1 THR A 177 21.643 -3.121 -3.884 1.00 0.00 O ATOM 609 CG2 THR A 177 21.523 -0.893 -4.795 1.00 0.00 C ATOM 0 H THR A 177 22.032 -2.047 -7.802 1.00 0.00 H new ATOM 0 HA THR A 177 23.653 -2.110 -6.329 1.00 0.00 H new ATOM 0 HB THR A 177 23.270 -1.896 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.853 -3.389 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 177 21.221 -0.512 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 177 22.106 -0.134 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.636 -1.135 -5.381 1.00 0.00 H new ATOM 617 N ASP A 178 24.418 -4.326 -5.113 1.00 0.00 N ATOM 618 CA ASP A 178 25.061 -5.614 -4.891 1.00 0.00 C ATOM 619 C ASP A 178 24.061 -6.654 -4.399 1.00 0.00 C ATOM 620 O ASP A 178 24.054 -7.768 -4.888 1.00 0.00 O ATOM 621 CB ASP A 178 26.188 -5.431 -3.859 1.00 0.00 C ATOM 622 CG ASP A 178 26.429 -6.713 -3.058 1.00 0.00 C ATOM 623 OD1 ASP A 178 27.254 -7.529 -3.518 1.00 0.00 O ATOM 624 OD2 ASP A 178 25.777 -6.848 -1.998 1.00 0.00 O ATOM 0 H ASP A 178 24.892 -3.551 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 178 25.471 -5.974 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.107 -5.142 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.932 -4.619 -3.179 1.00 0.00 H new ATOM 629 N ASN A 179 23.237 -6.291 -3.419 1.00 0.00 N ATOM 630 CA ASN A 179 22.295 -7.223 -2.814 1.00 0.00 C ATOM 631 C ASN A 179 21.445 -7.922 -3.878 1.00 0.00 C ATOM 632 O ASN A 179 21.404 -9.152 -3.924 1.00 0.00 O ATOM 633 CB ASN A 179 21.403 -6.467 -1.822 1.00 0.00 C ATOM 634 CG ASN A 179 22.102 -6.233 -0.477 1.00 0.00 C ATOM 635 OD1 ASN A 179 21.434 -6.034 0.534 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.440 -6.253 -0.455 1.00 0.00 N ATOM 0 H ASN A 179 23.205 -5.350 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 179 22.855 -7.995 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.116 -5.508 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.485 -7.031 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.938 -6.100 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.962 -6.421 -1.315 1.00 0.00 H new ATOM 643 N ALA A 180 20.761 -7.144 -4.722 1.00 0.00 N ATOM 644 CA ALA A 180 19.876 -7.703 -5.734 1.00 0.00 C ATOM 645 C ALA A 180 20.655 -8.545 -6.747 1.00 0.00 C ATOM 646 O ALA A 180 20.234 -9.649 -7.081 1.00 0.00 O ATOM 647 CB ALA A 180 19.134 -6.572 -6.442 1.00 0.00 C ATOM 0 H ALA A 180 20.807 -6.125 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 180 19.157 -8.358 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.471 -6.990 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.546 -6.011 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.854 -5.906 -6.917 1.00 0.00 H new ATOM 653 N ILE A 181 21.781 -8.021 -7.249 1.00 0.00 N ATOM 654 CA ILE A 181 22.563 -8.719 -8.268 1.00 0.00 C ATOM 655 C ILE A 181 23.121 -10.030 -7.706 1.00 0.00 C ATOM 656 O ILE A 181 23.009 -11.080 -8.337 1.00 0.00 O ATOM 657 CB ILE A 181 23.715 -7.817 -8.752 1.00 0.00 C ATOM 658 CG1 ILE A 181 23.164 -6.500 -9.321 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.502 -8.544 -9.850 1.00 0.00 C ATOM 660 CD1 ILE A 181 24.248 -5.422 -9.273 1.00 0.00 C ATOM 0 H ILE A 181 22.166 -7.120 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 181 21.914 -8.952 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 181 24.365 -7.595 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.831 -6.648 -10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.295 -6.180 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.318 -7.908 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.909 -9.473 -9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.839 -8.768 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.853 -4.490 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.560 -5.266 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 181 25.105 -5.741 -9.867 1.00 0.00 H new ATOM 672 N LYS A 182 23.733 -9.950 -6.527 1.00 0.00 N ATOM 673 CA LYS A 182 24.374 -11.084 -5.888 1.00 0.00 C ATOM 674 C LYS A 182 23.375 -12.212 -5.631 1.00 0.00 C ATOM 675 O LYS A 182 23.609 -13.343 -6.054 1.00 0.00 O ATOM 676 CB LYS A 182 25.014 -10.603 -4.581 1.00 0.00 C ATOM 677 CG LYS A 182 25.883 -11.705 -3.973 1.00 0.00 C ATOM 678 CD LYS A 182 26.664 -11.127 -2.790 1.00 0.00 C ATOM 679 CE LYS A 182 27.579 -12.198 -2.197 1.00 0.00 C ATOM 680 NZ LYS A 182 28.366 -11.654 -1.076 1.00 0.00 N ATOM 0 H LYS A 182 23.796 -9.086 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 182 25.143 -11.489 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.620 -9.717 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.237 -10.313 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.260 -12.537 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.570 -12.099 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.255 -10.272 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.973 -10.765 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.982 -13.042 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.250 -12.577 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.980 -12.399 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.951 -10.864 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.723 -11.315 -0.333 1.00 0.00 H new ATOM 694 N ASN A 183 22.268 -11.917 -4.933 1.00 0.00 N ATOM 695 CA ASN A 183 21.282 -12.942 -4.602 1.00 0.00 C ATOM 696 C ASN A 183 20.662 -13.518 -5.879 1.00 0.00 C ATOM 697 O ASN A 183 20.441 -14.723 -5.965 1.00 0.00 O ATOM 698 CB ASN A 183 20.208 -12.363 -3.659 1.00 0.00 C ATOM 699 CG ASN A 183 18.951 -11.930 -4.413 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.823 -10.775 -4.797 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.021 -12.864 -4.620 1.00 0.00 N ATOM 0 H ASN A 183 22.039 -10.983 -4.592 1.00 0.00 H new ATOM 0 HA ASN A 183 21.778 -13.759 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.942 -13.110 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.620 -11.508 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.162 -12.627 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.169 -13.815 -4.282 1.00 0.00 H new ATOM 708 N HIS A 184 20.383 -12.657 -6.867 1.00 0.00 N ATOM 709 CA HIS A 184 19.786 -13.089 -8.121 1.00 0.00 C ATOM 710 C HIS A 184 20.699 -14.090 -8.824 1.00 0.00 C ATOM 711 O HIS A 184 20.254 -15.168 -9.213 1.00 0.00 O ATOM 712 CB HIS A 184 19.540 -11.867 -9.006 1.00 0.00 C ATOM 713 CG HIS A 184 19.216 -12.234 -10.429 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.102 -12.986 -10.780 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.850 -11.967 -11.614 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.134 -13.123 -12.121 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.179 -12.524 -12.691 1.00 0.00 N ATOM 0 H HIS A 184 20.565 -11.655 -6.814 1.00 0.00 H new ATOM 0 HA HIS A 184 18.835 -13.583 -7.922 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.719 -11.282 -8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.424 -11.230 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.761 -11.393 -11.698 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.385 -13.666 -12.679 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.425 -12.485 -13.680 1.00 0.00 H new ATOM 725 N TRP A 185 21.973 -13.730 -8.991 1.00 0.00 N ATOM 726 CA TRP A 185 22.925 -14.592 -9.665 1.00 0.00 C ATOM 727 C TRP A 185 23.108 -15.892 -8.883 1.00 0.00 C ATOM 728 O TRP A 185 23.040 -16.974 -9.461 1.00 0.00 O ATOM 729 CB TRP A 185 24.257 -13.862 -9.820 1.00 0.00 C ATOM 730 CG TRP A 185 25.273 -14.618 -10.614 1.00 0.00 C ATOM 731 CD1 TRP A 185 26.106 -15.549 -10.129 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.572 -14.540 -12.038 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.902 -16.062 -11.121 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.617 -15.469 -12.333 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.069 -13.784 -13.116 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.134 -15.634 -13.618 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.588 -13.945 -14.419 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.620 -14.867 -14.667 1.00 0.00 C ATOM 0 H TRP A 185 22.362 -12.845 -8.666 1.00 0.00 H new ATOM 0 HA TRP A 185 22.545 -14.843 -10.655 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.079 -12.899 -10.299 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.664 -13.655 -8.830 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.145 -15.855 -9.094 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.609 -16.784 -10.981 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.276 -13.072 -12.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.924 -16.348 -13.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.189 -13.355 -15.231 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.015 -14.982 -15.666 1.00 0.00 H new ATOM 749 N ASN A 186 23.341 -15.785 -7.567 1.00 0.00 N ATOM 750 CA ASN A 186 23.552 -16.954 -6.718 1.00 0.00 C ATOM 751 C ASN A 186 22.210 -17.585 -6.345 1.00 0.00 C ATOM 752 O ASN A 186 21.934 -17.807 -5.168 1.00 0.00 O ATOM 753 CB ASN A 186 24.331 -16.542 -5.459 1.00 0.00 C ATOM 754 CG ASN A 186 25.768 -16.159 -5.800 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.681 -16.965 -5.632 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.970 -14.933 -6.277 1.00 0.00 N ATOM 0 H ASN A 186 23.387 -14.895 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 186 24.135 -17.696 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.832 -15.701 -4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.331 -17.364 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.913 -14.629 -6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.182 -14.297 -6.400 1.00 0.00 H new ATOM 763 N SER A 187 21.381 -17.878 -7.355 1.00 0.00 N ATOM 764 CA SER A 187 20.080 -18.490 -7.144 1.00 0.00 C ATOM 765 C SER A 187 19.459 -18.852 -8.490 1.00 0.00 C ATOM 766 O SER A 187 19.113 -20.009 -8.725 1.00 0.00 O ATOM 767 CB SER A 187 19.164 -17.521 -6.379 1.00 0.00 C ATOM 768 OG SER A 187 17.914 -18.135 -6.147 1.00 0.00 O ATOM 0 H SER A 187 21.600 -17.695 -8.334 1.00 0.00 H new ATOM 0 HA SER A 187 20.200 -19.398 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.624 -17.241 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.029 -16.603 -6.952 1.00 0.00 H new ATOM 0 HG SER A 187 17.332 -17.517 -5.658 1.00 0.00 H new ATOM 774 N THR A 188 19.311 -17.853 -9.367 1.00 0.00 N ATOM 775 CA THR A 188 18.678 -18.040 -10.662 1.00 0.00 C ATOM 776 C THR A 188 19.708 -18.383 -11.742 1.00 0.00 C ATOM 777 O THR A 188 19.475 -19.290 -12.538 1.00 0.00 O ATOM 778 CB THR A 188 17.918 -16.757 -11.029 1.00 0.00 C ATOM 779 OG1 THR A 188 17.089 -16.376 -9.950 1.00 0.00 O ATOM 780 CG2 THR A 188 17.053 -17.000 -12.268 1.00 0.00 C ATOM 0 H THR A 188 19.628 -16.899 -9.193 1.00 0.00 H new ATOM 0 HA THR A 188 17.984 -18.878 -10.602 1.00 0.00 H new ATOM 0 HB THR A 188 18.636 -15.965 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.605 -15.556 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.517 -16.086 -12.522 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.689 -17.293 -13.104 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.337 -17.795 -12.061 1.00 0.00 H new ATOM 788 N MET A 189 20.835 -17.649 -11.787 1.00 0.00 N ATOM 789 CA MET A 189 21.844 -17.845 -12.829 1.00 0.00 C ATOM 790 C MET A 189 23.181 -18.276 -12.229 1.00 0.00 C ATOM 791 O MET A 189 24.210 -17.659 -12.505 1.00 0.00 O ATOM 792 CB MET A 189 22.013 -16.541 -13.615 1.00 0.00 C ATOM 793 CG MET A 189 20.655 -16.049 -14.125 1.00 0.00 C ATOM 794 SD MET A 189 20.774 -14.816 -15.447 1.00 0.00 S ATOM 795 CE MET A 189 22.021 -13.729 -14.715 1.00 0.00 C ATOM 0 H MET A 189 21.064 -16.918 -11.113 1.00 0.00 H new ATOM 0 HA MET A 189 21.510 -18.639 -13.497 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.467 -15.781 -12.979 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.689 -16.700 -14.455 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.082 -16.903 -14.488 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.097 -15.622 -13.292 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.872 -12.711 -15.074 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.928 -13.749 -13.629 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.015 -14.072 -15.001 1.00 0.00 H new ATOM 805 N ARG A 190 23.175 -19.339 -11.421 1.00 0.00 N ATOM 806 CA ARG A 190 24.398 -19.845 -10.819 1.00 0.00 C ATOM 807 C ARG A 190 24.968 -20.959 -11.700 1.00 0.00 C ATOM 808 O ARG A 190 25.088 -22.104 -11.268 1.00 0.00 O ATOM 809 CB ARG A 190 24.095 -20.337 -9.393 1.00 0.00 C ATOM 810 CG ARG A 190 25.397 -20.565 -8.605 1.00 0.00 C ATOM 811 CD ARG A 190 26.252 -19.288 -8.606 1.00 0.00 C ATOM 812 NE ARG A 190 26.971 -19.123 -7.336 1.00 0.00 N ATOM 813 CZ ARG A 190 28.006 -19.893 -6.960 1.00 0.00 C ATOM 814 NH1 ARG A 190 28.427 -20.895 -7.745 1.00 0.00 N ATOM 815 NH2 ARG A 190 28.617 -19.655 -5.793 1.00 0.00 N ATOM 0 H ARG A 190 22.335 -19.861 -11.172 1.00 0.00 H new ATOM 0 HA ARG A 190 25.148 -19.057 -10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.475 -19.605 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.524 -21.265 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.164 -20.854 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.959 -21.387 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.967 -19.328 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.614 -18.421 -8.780 1.00 0.00 H new ATOM 0 HE ARG A 190 26.668 -18.382 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.961 -21.077 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 190 29.213 -21.476 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 190 28.296 -18.893 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 190 29.403 -20.236 -5.501 1.00 0.00 H new