USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= -0.195 K(o=-0.1,f=-0.97) USER MOD Set 1.2: A 188 THR OG1 : rot 142:sc= 0.0945 USER MOD Set 2.1: A 179 ASN : amide:sc= 1.72 K(o=2.9,f=-2.1) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 145:sc= 1.19 (180deg=0) USER MOD Set 3.1: A 159 HIS : no HD1:sc= 0.0262 K(o=0.14,f=-3.1) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.112 X(o=0.14,f=0.35!) USER MOD Set 4.1: A 156 TYR OH : rot 180:sc=-0.00824 USER MOD Set 4.2: A 160 LYS NZ :NH3+ 175:sc= 0.137 (180deg=0.119) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.125 K(o=-0.13,f=-5.5!) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.00765 USER MOD Single : A 183 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.5) USER MOD Single : A 186 ASN : amide:sc= 1.18 K(o=1.2,f=-4.7!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -145:sc= -0.881 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.365 -9.344 -12.326 1.00 0.00 N ATOM 89 CA TRP A 147 14.464 -9.341 -13.277 1.00 0.00 C ATOM 90 C TRP A 147 13.952 -9.711 -14.668 1.00 0.00 C ATOM 91 O TRP A 147 12.955 -10.424 -14.793 1.00 0.00 O ATOM 92 CB TRP A 147 15.526 -10.335 -12.808 1.00 0.00 C ATOM 93 CG TRP A 147 16.366 -9.843 -11.674 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.287 -10.248 -10.395 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.424 -8.845 -11.697 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.213 -9.595 -9.615 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.952 -8.708 -10.375 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.996 -8.036 -12.700 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.993 -7.828 -10.074 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.042 -7.143 -12.400 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.542 -7.044 -11.095 1.00 0.00 C ATOM 0 HA TRP A 147 14.905 -8.346 -13.333 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.034 -11.260 -12.507 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.176 -10.579 -13.648 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.590 -10.987 -10.029 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.337 -9.745 -8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.626 -8.102 -13.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.370 -7.753 -9.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.463 -6.529 -13.183 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.351 -6.363 -10.877 1.00 0.00 H new ATOM 112 N THR A 148 14.638 -9.220 -15.711 1.00 0.00 N ATOM 113 CA THR A 148 14.264 -9.494 -17.095 1.00 0.00 C ATOM 114 C THR A 148 15.496 -9.933 -17.886 1.00 0.00 C ATOM 115 O THR A 148 16.627 -9.688 -17.470 1.00 0.00 O ATOM 116 CB THR A 148 13.649 -8.233 -17.718 1.00 0.00 C ATOM 117 OG1 THR A 148 14.613 -7.201 -17.747 1.00 0.00 O ATOM 118 CG2 THR A 148 12.439 -7.778 -16.896 1.00 0.00 C ATOM 0 H THR A 148 15.462 -8.626 -15.614 1.00 0.00 H new ATOM 0 HA THR A 148 13.528 -10.297 -17.123 1.00 0.00 H new ATOM 0 HB THR A 148 13.326 -8.460 -18.734 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.220 -6.397 -18.146 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.009 -6.883 -17.346 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.691 -8.571 -16.880 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.754 -7.556 -15.876 1.00 0.00 H new ATOM 126 N GLU A 149 15.270 -10.582 -19.036 1.00 0.00 N ATOM 127 CA GLU A 149 16.354 -11.049 -19.892 1.00 0.00 C ATOM 128 C GLU A 149 17.245 -9.870 -20.304 1.00 0.00 C ATOM 129 O GLU A 149 18.455 -10.028 -20.476 1.00 0.00 O ATOM 130 CB GLU A 149 15.757 -11.738 -21.125 1.00 0.00 C ATOM 131 CG GLU A 149 16.853 -12.498 -21.879 1.00 0.00 C ATOM 132 CD GLU A 149 16.300 -13.133 -23.148 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.272 -13.834 -23.032 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.917 -12.904 -24.211 1.00 0.00 O ATOM 0 H GLU A 149 14.338 -10.794 -19.391 1.00 0.00 H new ATOM 0 HA GLU A 149 16.972 -11.764 -19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.968 -12.426 -20.822 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.299 -10.997 -21.780 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.665 -11.816 -22.133 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.274 -13.270 -21.235 1.00 0.00 H new ATOM 141 N GLU A 150 16.639 -8.686 -20.458 1.00 0.00 N ATOM 142 CA GLU A 150 17.364 -7.489 -20.848 1.00 0.00 C ATOM 143 C GLU A 150 18.434 -7.151 -19.807 1.00 0.00 C ATOM 144 O GLU A 150 19.447 -6.545 -20.142 1.00 0.00 O ATOM 145 CB GLU A 150 16.368 -6.331 -21.010 1.00 0.00 C ATOM 146 CG GLU A 150 16.966 -5.238 -21.903 1.00 0.00 C ATOM 147 CD GLU A 150 17.072 -5.711 -23.349 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.016 -5.750 -24.012 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.209 -6.028 -23.763 1.00 0.00 O ATOM 0 H GLU A 150 15.640 -8.540 -20.315 1.00 0.00 H new ATOM 0 HA GLU A 150 17.870 -7.659 -21.799 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.439 -6.699 -21.446 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.119 -5.917 -20.033 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.345 -4.343 -21.854 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.954 -4.962 -21.534 1.00 0.00 H new ATOM 156 N GLU A 151 18.212 -7.548 -18.548 1.00 0.00 N ATOM 157 CA GLU A 151 19.172 -7.310 -17.482 1.00 0.00 C ATOM 158 C GLU A 151 20.151 -8.482 -17.404 1.00 0.00 C ATOM 159 O GLU A 151 21.343 -8.277 -17.181 1.00 0.00 O ATOM 160 CB GLU A 151 18.434 -7.137 -16.155 1.00 0.00 C ATOM 161 CG GLU A 151 17.647 -5.822 -16.160 1.00 0.00 C ATOM 162 CD GLU A 151 16.889 -5.642 -14.852 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.842 -6.308 -14.706 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.368 -4.845 -14.014 1.00 0.00 O ATOM 0 H GLU A 151 17.369 -8.038 -18.249 1.00 0.00 H new ATOM 0 HA GLU A 151 19.733 -6.399 -17.690 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.756 -7.975 -15.995 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.146 -7.141 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.329 -4.985 -16.309 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.947 -5.815 -16.995 1.00 0.00 H new ATOM 171 N ASP A 152 19.644 -9.713 -17.590 1.00 0.00 N ATOM 172 CA ASP A 152 20.472 -10.917 -17.543 1.00 0.00 C ATOM 173 C ASP A 152 21.716 -10.746 -18.412 1.00 0.00 C ATOM 174 O ASP A 152 22.824 -11.037 -17.967 1.00 0.00 O ATOM 175 CB ASP A 152 19.667 -12.127 -18.039 1.00 0.00 C ATOM 176 CG ASP A 152 18.704 -12.650 -16.979 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.263 -11.833 -16.147 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.429 -13.872 -17.026 1.00 0.00 O ATOM 0 H ASP A 152 18.657 -9.894 -17.775 1.00 0.00 H new ATOM 0 HA ASP A 152 20.780 -11.082 -16.511 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.106 -11.848 -18.931 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.352 -12.923 -18.330 1.00 0.00 H new ATOM 183 N ARG A 153 21.531 -10.284 -19.657 1.00 0.00 N ATOM 184 CA ARG A 153 22.641 -10.123 -20.590 1.00 0.00 C ATOM 185 C ARG A 153 23.680 -9.130 -20.046 1.00 0.00 C ATOM 186 O ARG A 153 24.877 -9.317 -20.258 1.00 0.00 O ATOM 187 CB ARG A 153 22.103 -9.676 -21.958 1.00 0.00 C ATOM 188 CG ARG A 153 21.618 -8.225 -21.890 1.00 0.00 C ATOM 189 CD ARG A 153 20.697 -7.922 -23.073 1.00 0.00 C ATOM 190 NE ARG A 153 21.360 -8.204 -24.351 1.00 0.00 N ATOM 191 CZ ARG A 153 20.763 -8.027 -25.543 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.548 -7.466 -25.614 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.385 -8.413 -26.664 1.00 0.00 N ATOM 0 H ARG A 153 20.622 -10.017 -20.035 1.00 0.00 H new ATOM 0 HA ARG A 153 23.145 -11.082 -20.710 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.884 -9.770 -22.712 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.284 -10.326 -22.264 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.087 -8.054 -20.953 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.472 -7.547 -21.901 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.789 -8.520 -22.992 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.393 -6.876 -23.042 1.00 0.00 H new ATOM 0 HE ARG A 153 22.319 -8.551 -24.335 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.072 -7.171 -24.762 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.099 -7.334 -26.521 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.310 -8.840 -26.613 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.934 -8.280 -27.569 1.00 0.00 H new ATOM 207 N ILE A 154 23.227 -8.077 -19.348 1.00 0.00 N ATOM 208 CA ILE A 154 24.130 -7.069 -18.802 1.00 0.00 C ATOM 209 C ILE A 154 24.952 -7.677 -17.671 1.00 0.00 C ATOM 210 O ILE A 154 26.176 -7.546 -17.656 1.00 0.00 O ATOM 211 CB ILE A 154 23.326 -5.856 -18.296 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.475 -5.249 -19.433 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.286 -4.798 -17.738 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.359 -4.678 -20.550 1.00 0.00 C ATOM 0 H ILE A 154 22.240 -7.907 -19.152 1.00 0.00 H new ATOM 0 HA ILE A 154 24.807 -6.729 -19.586 1.00 0.00 H new ATOM 0 HB ILE A 154 22.653 -6.189 -17.506 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.815 -6.013 -19.844 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.838 -4.461 -19.032 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.715 -3.941 -17.381 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.857 -5.224 -16.912 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.970 -4.476 -18.524 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.729 -4.259 -21.334 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.000 -3.896 -20.143 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.977 -5.473 -20.967 1.00 0.00 H new ATOM 226 N ILE A 155 24.280 -8.340 -16.722 1.00 0.00 N ATOM 227 CA ILE A 155 24.955 -8.959 -15.590 1.00 0.00 C ATOM 228 C ILE A 155 25.948 -9.999 -16.101 1.00 0.00 C ATOM 229 O ILE A 155 27.070 -10.066 -15.623 1.00 0.00 O ATOM 230 CB ILE A 155 23.927 -9.610 -14.650 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.921 -8.560 -14.154 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.654 -10.224 -13.444 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.728 -9.257 -13.499 1.00 0.00 C ATOM 0 H ILE A 155 23.267 -8.458 -16.722 1.00 0.00 H new ATOM 0 HA ILE A 155 25.495 -8.197 -15.028 1.00 0.00 H new ATOM 0 HB ILE A 155 23.392 -10.387 -15.196 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.401 -7.892 -13.439 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.582 -7.945 -14.988 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.926 -10.686 -12.777 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.359 -10.979 -13.790 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.193 -9.443 -12.908 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.017 -8.509 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.242 -9.907 -14.227 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.074 -9.853 -12.654 1.00 0.00 H new ATOM 245 N TYR A 156 25.526 -10.810 -17.076 1.00 0.00 N ATOM 246 CA TYR A 156 26.368 -11.848 -17.646 1.00 0.00 C ATOM 247 C TYR A 156 27.626 -11.238 -18.262 1.00 0.00 C ATOM 248 O TYR A 156 28.738 -11.656 -17.941 1.00 0.00 O ATOM 249 CB TYR A 156 25.566 -12.619 -18.696 1.00 0.00 C ATOM 250 CG TYR A 156 26.323 -13.786 -19.286 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.615 -14.904 -18.487 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.735 -13.756 -20.630 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.317 -15.989 -19.029 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.437 -14.846 -21.173 1.00 0.00 C ATOM 255 CZ TYR A 156 27.727 -15.963 -20.372 1.00 0.00 C ATOM 256 OH TYR A 156 28.410 -17.021 -20.894 1.00 0.00 O ATOM 0 H TYR A 156 24.593 -10.760 -17.486 1.00 0.00 H new ATOM 0 HA TYR A 156 26.684 -12.535 -16.861 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.644 -12.984 -18.243 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.280 -11.938 -19.497 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.298 -14.927 -17.455 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.512 -12.896 -21.245 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.543 -16.847 -18.413 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.753 -14.825 -22.205 1.00 0.00 H new ATOM 0 HH TYR A 156 28.618 -16.844 -21.835 1.00 0.00 H new ATOM 266 N GLN A 157 27.448 -10.252 -19.149 1.00 0.00 N ATOM 267 CA GLN A 157 28.561 -9.596 -19.819 1.00 0.00 C ATOM 268 C GLN A 157 29.528 -9.005 -18.792 1.00 0.00 C ATOM 269 O GLN A 157 30.736 -9.225 -18.876 1.00 0.00 O ATOM 270 CB GLN A 157 28.009 -8.501 -20.740 1.00 0.00 C ATOM 271 CG GLN A 157 29.165 -7.713 -21.367 1.00 0.00 C ATOM 272 CD GLN A 157 28.664 -6.744 -22.436 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.262 -6.635 -23.505 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.571 -6.037 -22.149 1.00 0.00 N ATOM 0 H GLN A 157 26.532 -9.893 -19.417 1.00 0.00 H new ATOM 0 HA GLN A 157 29.113 -10.324 -20.414 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.395 -8.947 -21.523 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.364 -7.829 -20.174 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.693 -7.159 -20.591 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.882 -8.405 -21.809 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.106 -6.159 -21.249 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.199 -5.374 -22.829 1.00 0.00 H new ATOM 283 N ALA A 158 28.993 -8.248 -17.831 1.00 0.00 N ATOM 284 CA ALA A 158 29.805 -7.604 -16.812 1.00 0.00 C ATOM 285 C ALA A 158 30.530 -8.648 -15.961 1.00 0.00 C ATOM 286 O ALA A 158 31.720 -8.514 -15.705 1.00 0.00 O ATOM 287 CB ALA A 158 28.909 -6.724 -15.940 1.00 0.00 C ATOM 0 H ALA A 158 27.993 -8.069 -17.743 1.00 0.00 H new ATOM 0 HA ALA A 158 30.562 -6.983 -17.292 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.512 -6.238 -15.173 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.430 -5.966 -16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.146 -7.340 -15.465 1.00 0.00 H new ATOM 293 N HIS A 159 29.808 -9.681 -15.521 1.00 0.00 N ATOM 294 CA HIS A 159 30.369 -10.725 -14.672 1.00 0.00 C ATOM 295 C HIS A 159 31.494 -11.469 -15.394 1.00 0.00 C ATOM 296 O HIS A 159 32.495 -11.817 -14.780 1.00 0.00 O ATOM 297 CB HIS A 159 29.255 -11.695 -14.264 1.00 0.00 C ATOM 298 CG HIS A 159 29.721 -12.733 -13.279 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.443 -13.859 -13.655 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.581 -12.843 -11.920 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.688 -14.557 -12.528 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.187 -13.989 -11.432 1.00 0.00 N ATOM 0 H HIS A 159 28.822 -9.814 -15.744 1.00 0.00 H new ATOM 0 HA HIS A 159 30.796 -10.268 -13.779 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.430 -11.132 -13.829 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.868 -12.192 -15.153 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.061 -12.124 -11.304 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.237 -15.487 -12.515 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.237 -14.318 -10.468 1.00 0.00 H new ATOM 310 N LYS A 160 31.329 -11.721 -16.695 1.00 0.00 N ATOM 311 CA LYS A 160 32.330 -12.443 -17.471 1.00 0.00 C ATOM 312 C LYS A 160 33.656 -11.674 -17.525 1.00 0.00 C ATOM 313 O LYS A 160 34.692 -12.269 -17.813 1.00 0.00 O ATOM 314 CB LYS A 160 31.793 -12.692 -18.889 1.00 0.00 C ATOM 315 CG LYS A 160 31.169 -14.089 -18.968 1.00 0.00 C ATOM 316 CD LYS A 160 32.281 -15.137 -19.133 1.00 0.00 C ATOM 317 CE LYS A 160 31.881 -16.443 -18.440 1.00 0.00 C ATOM 318 NZ LYS A 160 30.686 -17.038 -19.062 1.00 0.00 N ATOM 0 H LYS A 160 30.509 -11.434 -17.230 1.00 0.00 H new ATOM 0 HA LYS A 160 32.526 -13.398 -16.984 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.050 -11.937 -19.145 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.601 -12.603 -19.615 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.593 -14.293 -18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.476 -14.143 -19.808 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.465 -15.320 -20.192 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.212 -14.761 -18.708 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.709 -17.151 -18.489 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.687 -16.252 -17.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.491 -17.962 -18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.870 -16.409 -18.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.851 -17.164 -20.081 1.00 0.00 H new ATOM 332 N ARG A 161 33.625 -10.360 -17.259 1.00 0.00 N ATOM 333 CA ARG A 161 34.823 -9.528 -17.319 1.00 0.00 C ATOM 334 C ARG A 161 35.329 -9.184 -15.914 1.00 0.00 C ATOM 335 O ARG A 161 36.528 -9.250 -15.657 1.00 0.00 O ATOM 336 CB ARG A 161 34.495 -8.249 -18.097 1.00 0.00 C ATOM 337 CG ARG A 161 34.164 -8.601 -19.551 1.00 0.00 C ATOM 338 CD ARG A 161 33.630 -7.366 -20.275 1.00 0.00 C ATOM 339 NE ARG A 161 33.243 -7.702 -21.651 1.00 0.00 N ATOM 340 CZ ARG A 161 32.355 -6.987 -22.364 1.00 0.00 C ATOM 341 NH1 ARG A 161 31.885 -5.825 -21.890 1.00 0.00 N ATOM 342 NH2 ARG A 161 31.937 -7.440 -23.552 1.00 0.00 N ATOM 0 H ARG A 161 32.778 -9.855 -17.000 1.00 0.00 H new ATOM 0 HA ARG A 161 35.616 -10.078 -17.826 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.651 -7.737 -17.635 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.341 -7.563 -18.062 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.055 -8.973 -20.056 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.423 -9.400 -19.582 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.771 -6.965 -19.737 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.391 -6.586 -20.286 1.00 0.00 H new ATOM 0 HE ARG A 161 33.669 -8.519 -22.088 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.201 -5.479 -20.984 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.212 -5.287 -22.435 1.00 0.00 H new ATOM 0 HH21 ARG A 161 32.292 -8.325 -23.914 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.263 -6.900 -24.095 1.00 0.00 H new ATOM 356 N LEU A 162 34.414 -8.803 -15.016 1.00 0.00 N ATOM 357 CA LEU A 162 34.768 -8.380 -13.666 1.00 0.00 C ATOM 358 C LEU A 162 34.689 -9.550 -12.684 1.00 0.00 C ATOM 359 O LEU A 162 35.608 -9.754 -11.893 1.00 0.00 O ATOM 360 CB LEU A 162 33.816 -7.255 -13.232 1.00 0.00 C ATOM 361 CG LEU A 162 33.961 -6.036 -14.158 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.840 -5.039 -13.856 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.316 -5.357 -13.930 1.00 0.00 C ATOM 0 H LEU A 162 33.412 -8.781 -15.208 1.00 0.00 H new ATOM 0 HA LEU A 162 35.796 -8.017 -13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.787 -7.614 -13.253 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.032 -6.965 -12.204 1.00 0.00 H new ATOM 0 HG LEU A 162 33.898 -6.366 -15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.938 -4.172 -14.510 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.874 -5.515 -14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.908 -4.719 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.407 -4.495 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.388 -5.028 -12.893 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.118 -6.064 -14.143 1.00 0.00 H new ATOM 375 N GLY A 163 33.587 -10.307 -12.729 1.00 0.00 N ATOM 376 CA GLY A 163 33.369 -11.432 -11.826 1.00 0.00 C ATOM 377 C GLY A 163 32.250 -11.091 -10.850 1.00 0.00 C ATOM 378 O GLY A 163 31.312 -10.381 -11.207 1.00 0.00 O ATOM 0 H GLY A 163 32.827 -10.154 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.110 -12.324 -12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.286 -11.657 -11.281 1.00 0.00 H new ATOM 382 N ASN A 164 32.351 -11.588 -9.610 1.00 0.00 N ATOM 383 CA ASN A 164 31.343 -11.325 -8.585 1.00 0.00 C ATOM 384 C ASN A 164 31.608 -9.970 -7.921 1.00 0.00 C ATOM 385 O ASN A 164 31.347 -9.802 -6.730 1.00 0.00 O ATOM 386 CB ASN A 164 31.364 -12.444 -7.535 1.00 0.00 C ATOM 387 CG ASN A 164 31.211 -13.820 -8.179 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.096 -14.295 -8.376 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.334 -14.463 -8.503 1.00 0.00 N ATOM 0 H ASN A 164 33.124 -12.175 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 164 30.359 -11.297 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.300 -12.404 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.559 -12.286 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.287 -15.387 -8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.240 -14.031 -8.321 1.00 0.00 H new ATOM 396 N ARG A 165 32.127 -9.001 -8.688 1.00 0.00 N ATOM 397 CA ARG A 165 32.422 -7.677 -8.166 1.00 0.00 C ATOM 398 C ARG A 165 31.149 -6.838 -8.181 1.00 0.00 C ATOM 399 O ARG A 165 31.061 -5.845 -8.901 1.00 0.00 O ATOM 400 CB ARG A 165 33.519 -7.024 -9.016 1.00 0.00 C ATOM 401 CG ARG A 165 34.856 -7.737 -8.776 1.00 0.00 C ATOM 402 CD ARG A 165 35.934 -7.153 -9.698 1.00 0.00 C ATOM 403 NE ARG A 165 36.035 -5.692 -9.552 1.00 0.00 N ATOM 404 CZ ARG A 165 36.697 -5.088 -8.551 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.301 -5.813 -7.598 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.750 -3.754 -8.511 1.00 0.00 N ATOM 0 H ARG A 165 32.349 -9.119 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 165 32.781 -7.749 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.253 -7.076 -10.072 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.609 -5.968 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.156 -7.624 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.746 -8.805 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.897 -7.610 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.702 -7.401 -10.734 1.00 0.00 H new ATOM 0 HE ARG A 165 35.577 -5.105 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.260 -6.832 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.801 -5.346 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.290 -3.203 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.250 -3.286 -7.755 1.00 0.00 H new ATOM 420 N TRP A 166 30.160 -7.242 -7.381 1.00 0.00 N ATOM 421 CA TRP A 166 28.892 -6.533 -7.306 1.00 0.00 C ATOM 422 C TRP A 166 29.124 -5.104 -6.834 1.00 0.00 C ATOM 423 O TRP A 166 28.440 -4.198 -7.270 1.00 0.00 O ATOM 424 CB TRP A 166 27.943 -7.257 -6.355 1.00 0.00 C ATOM 425 CG TRP A 166 28.048 -8.743 -6.373 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.442 -9.490 -5.340 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.771 -9.685 -7.452 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.435 -10.824 -5.661 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.024 -11.008 -6.968 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.333 -9.568 -8.792 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.850 -12.142 -7.761 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.159 -10.715 -9.598 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.420 -11.996 -9.083 1.00 0.00 C ATOM 0 H TRP A 166 30.219 -8.061 -6.776 1.00 0.00 H new ATOM 0 HA TRP A 166 28.440 -6.507 -8.297 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.132 -6.906 -5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.919 -6.977 -6.604 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.729 -9.096 -4.376 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.697 -11.576 -5.023 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.129 -8.590 -9.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.046 -13.124 -7.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.823 -10.606 -10.619 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.289 -12.867 -9.708 1.00 0.00 H new ATOM 444 N ALA A 167 30.099 -4.901 -5.943 1.00 0.00 N ATOM 445 CA ALA A 167 30.411 -3.572 -5.435 1.00 0.00 C ATOM 446 C ALA A 167 30.764 -2.622 -6.590 1.00 0.00 C ATOM 447 O ALA A 167 30.716 -1.407 -6.419 1.00 0.00 O ATOM 448 CB ALA A 167 31.572 -3.671 -4.445 1.00 0.00 C ATOM 0 H ALA A 167 30.684 -5.645 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 167 29.537 -3.167 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.809 -2.678 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.290 -4.322 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.446 -4.084 -4.949 1.00 0.00 H new ATOM 454 N GLU A 168 31.113 -3.183 -7.762 1.00 0.00 N ATOM 455 CA GLU A 168 31.449 -2.398 -8.940 1.00 0.00 C ATOM 456 C GLU A 168 30.276 -2.422 -9.927 1.00 0.00 C ATOM 457 O GLU A 168 29.806 -1.374 -10.358 1.00 0.00 O ATOM 458 CB GLU A 168 32.714 -2.982 -9.578 1.00 0.00 C ATOM 459 CG GLU A 168 33.221 -2.054 -10.686 1.00 0.00 C ATOM 460 CD GLU A 168 34.435 -2.653 -11.385 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.232 -3.312 -10.678 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.545 -2.444 -12.609 1.00 0.00 O ATOM 0 H GLU A 168 31.167 -4.191 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 168 31.638 -1.361 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.486 -3.112 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.501 -3.969 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.427 -1.881 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.482 -1.084 -10.262 1.00 0.00 H new ATOM 469 N ILE A 169 29.808 -3.625 -10.283 1.00 0.00 N ATOM 470 CA ILE A 169 28.711 -3.792 -11.235 1.00 0.00 C ATOM 471 C ILE A 169 27.462 -3.049 -10.745 1.00 0.00 C ATOM 472 O ILE A 169 26.792 -2.376 -11.525 1.00 0.00 O ATOM 473 CB ILE A 169 28.421 -5.294 -11.414 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.657 -5.991 -12.012 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.219 -5.481 -12.353 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.523 -7.511 -11.887 1.00 0.00 C ATOM 0 H ILE A 169 30.179 -4.503 -9.920 1.00 0.00 H new ATOM 0 HA ILE A 169 28.995 -3.368 -12.198 1.00 0.00 H new ATOM 0 HB ILE A 169 28.192 -5.734 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.767 -5.714 -13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.557 -5.655 -11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.017 -6.545 -12.477 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.344 -4.993 -11.925 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.443 -5.038 -13.324 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.404 -7.990 -12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.436 -7.783 -10.835 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.634 -7.843 -12.423 1.00 0.00 H new ATOM 488 N ALA A 170 27.156 -3.179 -9.452 1.00 0.00 N ATOM 489 CA ALA A 170 25.990 -2.549 -8.849 1.00 0.00 C ATOM 490 C ALA A 170 26.031 -1.025 -9.025 1.00 0.00 C ATOM 491 O ALA A 170 24.988 -0.381 -9.018 1.00 0.00 O ATOM 492 CB ALA A 170 25.927 -2.926 -7.364 1.00 0.00 C ATOM 0 H ALA A 170 27.714 -3.726 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 170 25.092 -2.908 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.056 -2.457 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.850 -4.009 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.831 -2.580 -6.862 1.00 0.00 H new ATOM 498 N LYS A 171 27.230 -0.441 -9.189 1.00 0.00 N ATOM 499 CA LYS A 171 27.355 1.001 -9.384 1.00 0.00 C ATOM 500 C LYS A 171 26.781 1.384 -10.749 1.00 0.00 C ATOM 501 O LYS A 171 26.249 2.480 -10.912 1.00 0.00 O ATOM 502 CB LYS A 171 28.825 1.431 -9.281 1.00 0.00 C ATOM 503 CG LYS A 171 29.424 0.999 -7.934 1.00 0.00 C ATOM 504 CD LYS A 171 28.869 1.872 -6.803 1.00 0.00 C ATOM 505 CE LYS A 171 29.551 1.496 -5.485 1.00 0.00 C ATOM 506 NZ LYS A 171 29.088 2.359 -4.383 1.00 0.00 N ATOM 0 H LYS A 171 28.116 -0.946 -9.190 1.00 0.00 H new ATOM 0 HA LYS A 171 26.795 1.516 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.396 0.989 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.901 2.513 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.190 -0.048 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.510 1.082 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.040 2.925 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.791 1.735 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.340 0.453 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.632 1.586 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.566 2.083 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.311 3.351 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.060 2.253 -4.267 1.00 0.00 H new ATOM 520 N LEU A 172 26.885 0.473 -11.728 1.00 0.00 N ATOM 521 CA LEU A 172 26.359 0.707 -13.066 1.00 0.00 C ATOM 522 C LEU A 172 24.832 0.614 -13.035 1.00 0.00 C ATOM 523 O LEU A 172 24.157 1.228 -13.859 1.00 0.00 O ATOM 524 CB LEU A 172 26.939 -0.326 -14.045 1.00 0.00 C ATOM 525 CG LEU A 172 28.475 -0.361 -13.960 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.009 -1.414 -14.933 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.057 1.009 -14.326 1.00 0.00 C ATOM 0 H LEU A 172 27.333 -0.436 -11.609 1.00 0.00 H new ATOM 0 HA LEU A 172 26.648 1.703 -13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.536 -1.313 -13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.633 -0.081 -15.062 1.00 0.00 H new ATOM 0 HG LEU A 172 28.770 -0.611 -12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.097 -1.443 -14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.606 -2.392 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.705 -1.159 -15.948 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.144 0.971 -14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.762 1.270 -15.342 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.679 1.762 -13.634 1.00 0.00 H new ATOM 539 N LEU A 173 24.296 -0.159 -12.075 1.00 0.00 N ATOM 540 CA LEU A 173 22.859 -0.337 -11.909 1.00 0.00 C ATOM 541 C LEU A 173 22.467 0.056 -10.479 1.00 0.00 C ATOM 542 O LEU A 173 22.224 -0.819 -9.654 1.00 0.00 O ATOM 543 CB LEU A 173 22.500 -1.809 -12.175 1.00 0.00 C ATOM 544 CG LEU A 173 22.810 -2.194 -13.632 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.690 -3.712 -13.786 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.820 -1.510 -14.582 1.00 0.00 C ATOM 0 H LEU A 173 24.855 -0.675 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 173 22.317 0.294 -12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.061 -2.453 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.442 -1.973 -11.968 1.00 0.00 H new ATOM 0 HG LEU A 173 23.821 -1.871 -13.880 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.909 -3.992 -14.817 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.399 -4.203 -13.119 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.677 -4.025 -13.532 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.050 -1.790 -15.610 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.805 -1.825 -14.338 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.900 -0.428 -14.474 1.00 0.00 H new ATOM 558 N PRO A 174 22.409 1.372 -10.176 1.00 0.00 N ATOM 559 CA PRO A 174 22.093 1.859 -8.843 1.00 0.00 C ATOM 560 C PRO A 174 20.788 1.258 -8.317 1.00 0.00 C ATOM 561 O PRO A 174 20.702 0.903 -7.143 1.00 0.00 O ATOM 562 CB PRO A 174 22.000 3.383 -8.965 1.00 0.00 C ATOM 563 CG PRO A 174 22.425 3.745 -10.393 1.00 0.00 C ATOM 564 CD PRO A 174 22.660 2.429 -11.135 1.00 0.00 C ATOM 0 HA PRO A 174 22.859 1.565 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.984 3.724 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.648 3.869 -8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.653 4.334 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.331 4.350 -10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.994 2.342 -11.993 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.680 2.374 -11.516 1.00 0.00 H new ATOM 572 N GLY A 175 19.775 1.147 -9.186 1.00 0.00 N ATOM 573 CA GLY A 175 18.485 0.593 -8.803 1.00 0.00 C ATOM 574 C GLY A 175 18.647 -0.824 -8.252 1.00 0.00 C ATOM 575 O GLY A 175 17.954 -1.207 -7.310 1.00 0.00 O ATOM 0 H GLY A 175 19.832 1.437 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.019 1.230 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.819 0.579 -9.666 1.00 0.00 H new ATOM 579 N ARG A 176 19.563 -1.601 -8.844 1.00 0.00 N ATOM 580 CA ARG A 176 19.808 -2.971 -8.428 1.00 0.00 C ATOM 581 C ARG A 176 20.956 -3.001 -7.416 1.00 0.00 C ATOM 582 O ARG A 176 22.124 -2.952 -7.797 1.00 0.00 O ATOM 583 CB ARG A 176 20.154 -3.821 -9.655 1.00 0.00 C ATOM 584 CG ARG A 176 19.037 -3.741 -10.712 1.00 0.00 C ATOM 585 CD ARG A 176 17.745 -4.369 -10.176 1.00 0.00 C ATOM 586 NE ARG A 176 16.901 -4.847 -11.283 1.00 0.00 N ATOM 587 CZ ARG A 176 15.674 -5.369 -11.107 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.131 -5.428 -9.883 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.993 -5.831 -12.159 1.00 0.00 N ATOM 0 H ARG A 176 20.148 -1.292 -9.620 1.00 0.00 H new ATOM 0 HA ARG A 176 18.914 -3.379 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.094 -3.478 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.302 -4.858 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.858 -2.700 -10.982 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.350 -4.257 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.986 -5.199 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.197 -3.636 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 176 17.266 -4.779 -12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.649 -5.076 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.200 -5.825 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.404 -5.787 -13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.062 -6.228 -12.030 1.00 0.00 H new ATOM 603 N THR A 177 20.620 -3.084 -6.125 1.00 0.00 N ATOM 604 CA THR A 177 21.619 -3.117 -5.063 1.00 0.00 C ATOM 605 C THR A 177 22.552 -4.319 -5.245 1.00 0.00 C ATOM 606 O THR A 177 22.164 -5.332 -5.830 1.00 0.00 O ATOM 607 CB THR A 177 20.909 -3.184 -3.707 1.00 0.00 C ATOM 608 OG1 THR A 177 19.928 -4.200 -3.739 1.00 0.00 O ATOM 609 CG2 THR A 177 20.239 -1.842 -3.404 1.00 0.00 C ATOM 0 H THR A 177 19.657 -3.130 -5.793 1.00 0.00 H new ATOM 0 HA THR A 177 22.225 -2.212 -5.106 1.00 0.00 H new ATOM 0 HB THR A 177 21.641 -3.405 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.475 -4.244 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.736 -1.896 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.994 -1.056 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.509 -1.616 -4.181 1.00 0.00 H new ATOM 617 N ASP A 178 23.785 -4.200 -4.734 1.00 0.00 N ATOM 618 CA ASP A 178 24.784 -5.254 -4.835 1.00 0.00 C ATOM 619 C ASP A 178 24.231 -6.585 -4.318 1.00 0.00 C ATOM 620 O ASP A 178 24.423 -7.620 -4.950 1.00 0.00 O ATOM 621 CB ASP A 178 26.037 -4.834 -4.048 1.00 0.00 C ATOM 622 CG ASP A 178 25.815 -4.919 -2.538 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.788 -4.363 -2.076 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.671 -5.541 -1.874 1.00 0.00 O ATOM 0 H ASP A 178 24.110 -3.368 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 178 25.049 -5.400 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.874 -5.474 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.311 -3.814 -4.318 1.00 0.00 H new ATOM 629 N ASN A 179 23.549 -6.554 -3.170 1.00 0.00 N ATOM 630 CA ASN A 179 22.995 -7.755 -2.563 1.00 0.00 C ATOM 631 C ASN A 179 21.920 -8.371 -3.460 1.00 0.00 C ATOM 632 O ASN A 179 21.796 -9.592 -3.518 1.00 0.00 O ATOM 633 CB ASN A 179 22.426 -7.412 -1.184 1.00 0.00 C ATOM 634 CG ASN A 179 23.533 -7.396 -0.133 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.713 -8.372 0.595 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.279 -6.294 -0.055 1.00 0.00 N ATOM 0 H ASN A 179 23.369 -5.700 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 179 23.788 -8.494 -2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.936 -6.439 -1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.665 -8.142 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.034 -6.237 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.095 -5.508 -0.679 1.00 0.00 H new ATOM 643 N ALA A 180 21.144 -7.534 -4.160 1.00 0.00 N ATOM 644 CA ALA A 180 20.093 -8.026 -5.040 1.00 0.00 C ATOM 645 C ALA A 180 20.715 -8.797 -6.202 1.00 0.00 C ATOM 646 O ALA A 180 20.289 -9.909 -6.501 1.00 0.00 O ATOM 647 CB ALA A 180 19.248 -6.858 -5.553 1.00 0.00 C ATOM 0 H ALA A 180 21.229 -6.518 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 180 19.441 -8.700 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.465 -7.236 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.794 -6.339 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.882 -6.165 -6.106 1.00 0.00 H new ATOM 653 N ILE A 181 21.727 -8.207 -6.852 1.00 0.00 N ATOM 654 CA ILE A 181 22.405 -8.850 -7.973 1.00 0.00 C ATOM 655 C ILE A 181 23.100 -10.122 -7.485 1.00 0.00 C ATOM 656 O ILE A 181 23.003 -11.166 -8.120 1.00 0.00 O ATOM 657 CB ILE A 181 23.429 -7.882 -8.593 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.724 -6.617 -9.104 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.131 -8.575 -9.768 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.727 -5.466 -9.203 1.00 0.00 C ATOM 0 H ILE A 181 22.091 -7.284 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 181 21.674 -9.115 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 181 24.158 -7.601 -7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.278 -6.808 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.911 -6.346 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.857 -7.894 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.643 -9.469 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.392 -8.856 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.220 -4.572 -9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.152 -5.268 -8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.525 -5.737 -9.895 1.00 0.00 H new ATOM 672 N LYS A 182 23.802 -10.016 -6.353 1.00 0.00 N ATOM 673 CA LYS A 182 24.524 -11.131 -5.758 1.00 0.00 C ATOM 674 C LYS A 182 23.592 -12.324 -5.549 1.00 0.00 C ATOM 675 O LYS A 182 23.862 -13.421 -6.043 1.00 0.00 O ATOM 676 CB LYS A 182 25.109 -10.656 -4.422 1.00 0.00 C ATOM 677 CG LYS A 182 25.744 -11.823 -3.653 1.00 0.00 C ATOM 678 CD LYS A 182 26.403 -11.295 -2.371 1.00 0.00 C ATOM 679 CE LYS A 182 25.334 -11.019 -1.302 1.00 0.00 C ATOM 680 NZ LYS A 182 25.815 -10.042 -0.306 1.00 0.00 N ATOM 0 H LYS A 182 23.882 -9.147 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 182 25.326 -11.457 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.858 -9.885 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.323 -10.202 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.985 -12.565 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.486 -12.322 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.123 -12.023 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.956 -10.381 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.429 -10.641 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.067 -11.950 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 25.023 -9.444 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.209 -10.547 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.553 -9.446 -0.733 1.00 0.00 H new ATOM 694 N ASN A 183 22.502 -12.106 -4.806 1.00 0.00 N ATOM 695 CA ASN A 183 21.548 -13.161 -4.493 1.00 0.00 C ATOM 696 C ASN A 183 20.901 -13.688 -5.770 1.00 0.00 C ATOM 697 O ASN A 183 20.830 -14.898 -5.971 1.00 0.00 O ATOM 698 CB ASN A 183 20.483 -12.615 -3.534 1.00 0.00 C ATOM 699 CG ASN A 183 21.083 -12.262 -2.172 1.00 0.00 C ATOM 700 OD1 ASN A 183 22.285 -12.409 -1.955 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.240 -11.796 -1.253 1.00 0.00 N ATOM 0 H ASN A 183 22.262 -11.197 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 183 22.070 -13.989 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.020 -11.729 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.694 -13.356 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.584 -11.545 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.250 -11.690 -1.476 1.00 0.00 H new ATOM 708 N HIS A 184 20.426 -12.779 -6.630 1.00 0.00 N ATOM 709 CA HIS A 184 19.775 -13.155 -7.877 1.00 0.00 C ATOM 710 C HIS A 184 20.681 -14.068 -8.698 1.00 0.00 C ATOM 711 O HIS A 184 20.244 -15.113 -9.170 1.00 0.00 O ATOM 712 CB HIS A 184 19.434 -11.891 -8.667 1.00 0.00 C ATOM 713 CG HIS A 184 18.972 -12.188 -10.069 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.955 -13.092 -10.353 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.374 -11.714 -11.292 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.810 -13.104 -11.693 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.649 -12.283 -12.326 1.00 0.00 N ATOM 0 H HIS A 184 20.484 -11.772 -6.477 1.00 0.00 H new ATOM 0 HA HIS A 184 18.858 -13.701 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.655 -11.338 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.311 -11.245 -8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.160 -10.986 -11.432 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.084 -13.719 -12.205 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.736 -12.115 -13.328 1.00 0.00 H new ATOM 725 N TRP A 185 21.942 -13.671 -8.872 1.00 0.00 N ATOM 726 CA TRP A 185 22.885 -14.450 -9.646 1.00 0.00 C ATOM 727 C TRP A 185 23.065 -15.830 -9.023 1.00 0.00 C ATOM 728 O TRP A 185 22.786 -16.834 -9.658 1.00 0.00 O ATOM 729 CB TRP A 185 24.229 -13.716 -9.719 1.00 0.00 C ATOM 730 CG TRP A 185 25.316 -14.482 -10.416 1.00 0.00 C ATOM 731 CD1 TRP A 185 26.090 -15.428 -9.858 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.767 -14.389 -11.800 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.982 -15.939 -10.769 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.826 -15.331 -11.999 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.392 -13.610 -12.912 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.469 -15.487 -13.230 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.036 -13.763 -14.157 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.071 -14.700 -14.316 1.00 0.00 C ATOM 0 H TRP A 185 22.327 -12.810 -8.482 1.00 0.00 H new ATOM 0 HA TRP A 185 22.498 -14.576 -10.657 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.083 -12.766 -10.233 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.557 -13.483 -8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.020 -15.745 -8.828 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.666 -16.668 -10.565 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.599 -12.884 -12.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.265 -16.208 -13.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.731 -13.155 -14.996 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.558 -14.812 -15.274 1.00 0.00 H new ATOM 749 N ASN A 186 23.551 -15.870 -7.784 1.00 0.00 N ATOM 750 CA ASN A 186 23.864 -17.123 -7.111 1.00 0.00 C ATOM 751 C ASN A 186 22.663 -18.065 -7.035 1.00 0.00 C ATOM 752 O ASN A 186 22.837 -19.278 -7.150 1.00 0.00 O ATOM 753 CB ASN A 186 24.382 -16.821 -5.701 1.00 0.00 C ATOM 754 CG ASN A 186 25.862 -16.468 -5.730 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.709 -17.347 -5.579 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.174 -15.187 -5.925 1.00 0.00 N ATOM 0 H ASN A 186 23.737 -15.038 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 186 24.629 -17.632 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.816 -15.995 -5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.223 -17.686 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 186 27.152 -14.899 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.435 -14.495 -6.045 1.00 0.00 H new ATOM 763 N SER A 187 21.463 -17.522 -6.816 1.00 0.00 N ATOM 764 CA SER A 187 20.271 -18.339 -6.629 1.00 0.00 C ATOM 765 C SER A 187 19.564 -18.642 -7.953 1.00 0.00 C ATOM 766 O SER A 187 19.356 -19.806 -8.289 1.00 0.00 O ATOM 767 CB SER A 187 19.322 -17.607 -5.674 1.00 0.00 C ATOM 768 OG SER A 187 18.233 -18.444 -5.352 1.00 0.00 O ATOM 0 H SER A 187 21.295 -16.517 -6.764 1.00 0.00 H new ATOM 0 HA SER A 187 20.571 -19.298 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.854 -17.320 -4.767 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.962 -16.688 -6.137 1.00 0.00 H new ATOM 0 HG SER A 187 17.629 -17.974 -4.740 1.00 0.00 H new ATOM 774 N THR A 188 19.166 -17.599 -8.686 1.00 0.00 N ATOM 775 CA THR A 188 18.367 -17.760 -9.894 1.00 0.00 C ATOM 776 C THR A 188 19.205 -18.160 -11.110 1.00 0.00 C ATOM 777 O THR A 188 18.796 -19.041 -11.865 1.00 0.00 O ATOM 778 CB THR A 188 17.626 -16.446 -10.180 1.00 0.00 C ATOM 779 OG1 THR A 188 17.144 -15.894 -8.971 1.00 0.00 O ATOM 780 CG2 THR A 188 16.448 -16.709 -11.121 1.00 0.00 C ATOM 0 H THR A 188 19.388 -16.630 -8.458 1.00 0.00 H new ATOM 0 HA THR A 188 17.661 -18.572 -9.719 1.00 0.00 H new ATOM 0 HB THR A 188 18.317 -15.745 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.232 -14.918 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.926 -15.773 -11.321 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.817 -17.126 -12.058 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.761 -17.416 -10.655 1.00 0.00 H new ATOM 788 N MET A 189 20.354 -17.504 -11.328 1.00 0.00 N ATOM 789 CA MET A 189 21.147 -17.738 -12.534 1.00 0.00 C ATOM 790 C MET A 189 22.287 -18.725 -12.270 1.00 0.00 C ATOM 791 O MET A 189 22.143 -19.916 -12.539 1.00 0.00 O ATOM 792 CB MET A 189 21.667 -16.392 -13.061 1.00 0.00 C ATOM 793 CG MET A 189 20.489 -15.422 -13.236 1.00 0.00 C ATOM 794 SD MET A 189 20.750 -14.134 -14.485 1.00 0.00 S ATOM 795 CE MET A 189 22.360 -13.522 -13.947 1.00 0.00 C ATOM 0 H MET A 189 20.749 -16.814 -10.689 1.00 0.00 H new ATOM 0 HA MET A 189 20.516 -18.195 -13.297 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.396 -15.974 -12.367 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.179 -16.535 -14.013 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.601 -15.994 -13.504 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.284 -14.944 -12.278 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.416 -12.447 -14.118 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.491 -13.727 -12.885 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.147 -14.021 -14.513 1.00 0.00 H new ATOM 805 N ARG A 190 23.421 -18.228 -11.760 1.00 0.00 N ATOM 806 CA ARG A 190 24.594 -19.051 -11.493 1.00 0.00 C ATOM 807 C ARG A 190 25.137 -19.633 -12.805 1.00 0.00 C ATOM 808 O ARG A 190 25.819 -20.656 -12.800 1.00 0.00 O ATOM 809 CB ARG A 190 24.227 -20.161 -10.494 1.00 0.00 C ATOM 810 CG ARG A 190 25.442 -20.496 -9.626 1.00 0.00 C ATOM 811 CD ARG A 190 25.071 -21.588 -8.618 1.00 0.00 C ATOM 812 NE ARG A 190 26.145 -21.781 -7.634 1.00 0.00 N ATOM 813 CZ ARG A 190 26.412 -20.902 -6.648 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.605 -19.854 -6.437 1.00 0.00 N ATOM 815 NH2 ARG A 190 27.492 -21.075 -5.876 1.00 0.00 N ATOM 0 H ARG A 190 23.545 -17.244 -11.523 1.00 0.00 H new ATOM 0 HA ARG A 190 25.380 -18.439 -11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.397 -19.838 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.894 -21.050 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.268 -20.832 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.783 -19.604 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.148 -21.317 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.881 -22.524 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 190 26.717 -22.623 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 190 24.782 -19.717 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.813 -19.193 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 190 28.110 -21.871 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.697 -20.411 -5.129 1.00 0.00 H new