USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= 0.0064 K(o=0.2,f=-0.83) USER MOD Set 1.2: A 188 THR OG1 : rot 139:sc= 0.189 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.0703 K(o=0.046,f=-1.9) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.116 K(o=0.046,f=0.68) USER MOD Set 3.1: A 156 TYR OH : rot 130:sc= 0.797 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 175:sc= 0.948 (180deg=0.0219) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 157 GLN : amide:sc= -0.0514 K(o=-0.051,f=-3.2!) USER MOD Single : A 171 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0947) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 179 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.15) USER MOD Single : A 182 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.17) USER MOD Single : A 183 ASN : amide:sc= 0.308 K(o=0.31,f=-0.36) USER MOD Single : A 186 ASN : amide:sc= 1.03 K(o=1,f=-0.44) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -177:sc= -0.371 (180deg=-0.444) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.646 -10.164 -11.908 1.00 0.00 N ATOM 89 CA TRP A 147 14.729 -9.831 -12.821 1.00 0.00 C ATOM 90 C TRP A 147 14.364 -10.254 -14.244 1.00 0.00 C ATOM 91 O TRP A 147 13.959 -11.393 -14.471 1.00 0.00 O ATOM 92 CB TRP A 147 16.007 -10.538 -12.365 1.00 0.00 C ATOM 93 CG TRP A 147 16.713 -9.877 -11.223 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.532 -10.151 -9.919 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.727 -8.830 -11.259 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.347 -9.369 -9.135 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.113 -8.525 -9.916 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.368 -8.104 -12.287 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.075 -7.557 -9.615 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.339 -7.125 -11.985 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.688 -6.853 -10.657 1.00 0.00 C ATOM 0 HA TRP A 147 14.894 -8.754 -12.815 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.758 -11.560 -12.078 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.692 -10.602 -13.210 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.839 -10.887 -9.538 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.381 -9.407 -8.116 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.112 -8.300 -13.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.342 -7.354 -8.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.817 -6.581 -12.786 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.430 -6.100 -10.437 1.00 0.00 H new ATOM 112 N THR A 148 14.513 -9.327 -15.198 1.00 0.00 N ATOM 113 CA THR A 148 14.213 -9.593 -16.595 1.00 0.00 C ATOM 114 C THR A 148 15.442 -10.184 -17.282 1.00 0.00 C ATOM 115 O THR A 148 16.574 -9.869 -16.916 1.00 0.00 O ATOM 116 CB THR A 148 13.790 -8.288 -17.275 1.00 0.00 C ATOM 117 OG1 THR A 148 14.726 -7.276 -16.973 1.00 0.00 O ATOM 118 CG2 THR A 148 12.408 -7.865 -16.773 1.00 0.00 C ATOM 0 H THR A 148 14.843 -8.379 -15.017 1.00 0.00 H new ATOM 0 HA THR A 148 13.397 -10.312 -16.670 1.00 0.00 H new ATOM 0 HB THR A 148 13.750 -8.442 -18.353 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.457 -6.441 -17.409 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.113 -6.936 -17.260 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.682 -8.644 -17.006 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.443 -7.713 -15.694 1.00 0.00 H new ATOM 126 N GLU A 149 15.211 -11.038 -18.282 1.00 0.00 N ATOM 127 CA GLU A 149 16.288 -11.685 -19.021 1.00 0.00 C ATOM 128 C GLU A 149 17.177 -10.637 -19.702 1.00 0.00 C ATOM 129 O GLU A 149 18.385 -10.838 -19.824 1.00 0.00 O ATOM 130 CB GLU A 149 15.714 -12.680 -20.051 1.00 0.00 C ATOM 131 CG GLU A 149 14.477 -12.105 -20.764 1.00 0.00 C ATOM 132 CD GLU A 149 13.197 -12.443 -20.005 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.757 -13.608 -20.112 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.685 -11.532 -19.321 1.00 0.00 O ATOM 0 H GLU A 149 14.276 -11.297 -18.598 1.00 0.00 H new ATOM 0 HA GLU A 149 16.905 -12.245 -18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.479 -12.924 -20.788 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.446 -13.610 -19.550 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.575 -11.023 -20.853 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.419 -12.504 -21.777 1.00 0.00 H new ATOM 141 N GLU A 150 16.585 -9.517 -20.141 1.00 0.00 N ATOM 142 CA GLU A 150 17.341 -8.457 -20.793 1.00 0.00 C ATOM 143 C GLU A 150 18.310 -7.830 -19.789 1.00 0.00 C ATOM 144 O GLU A 150 19.474 -7.615 -20.105 1.00 0.00 O ATOM 145 CB GLU A 150 16.381 -7.401 -21.365 1.00 0.00 C ATOM 146 CG GLU A 150 16.565 -7.299 -22.884 1.00 0.00 C ATOM 147 CD GLU A 150 17.994 -6.899 -23.244 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.358 -5.747 -22.928 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.696 -7.756 -23.830 1.00 0.00 O ATOM 0 H GLU A 150 15.586 -9.329 -20.053 1.00 0.00 H new ATOM 0 HA GLU A 150 17.917 -8.873 -21.619 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.351 -7.669 -21.132 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.572 -6.433 -20.901 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.326 -8.256 -23.347 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.867 -6.566 -23.289 1.00 0.00 H new ATOM 156 N GLU A 151 17.827 -7.547 -18.574 1.00 0.00 N ATOM 157 CA GLU A 151 18.668 -6.983 -17.527 1.00 0.00 C ATOM 158 C GLU A 151 19.801 -7.966 -17.220 1.00 0.00 C ATOM 159 O GLU A 151 20.953 -7.560 -17.068 1.00 0.00 O ATOM 160 CB GLU A 151 17.812 -6.707 -16.283 1.00 0.00 C ATOM 161 CG GLU A 151 18.639 -5.999 -15.202 1.00 0.00 C ATOM 162 CD GLU A 151 18.723 -4.498 -15.451 1.00 0.00 C ATOM 163 OE1 GLU A 151 19.519 -4.108 -16.328 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.985 -3.768 -14.748 1.00 0.00 O ATOM 0 H GLU A 151 16.857 -7.701 -18.297 1.00 0.00 H new ATOM 0 HA GLU A 151 19.107 -6.039 -17.851 1.00 0.00 H new ATOM 0 HB2 GLU A 151 16.955 -6.090 -16.555 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.418 -7.645 -15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.193 -6.181 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.644 -6.421 -15.178 1.00 0.00 H new ATOM 171 N ASP A 152 19.467 -9.265 -17.142 1.00 0.00 N ATOM 172 CA ASP A 152 20.451 -10.313 -16.886 1.00 0.00 C ATOM 173 C ASP A 152 21.602 -10.218 -17.889 1.00 0.00 C ATOM 174 O ASP A 152 22.742 -10.520 -17.549 1.00 0.00 O ATOM 175 CB ASP A 152 19.774 -11.691 -16.975 1.00 0.00 C ATOM 176 CG ASP A 152 19.903 -12.464 -15.667 1.00 0.00 C ATOM 177 OD1 ASP A 152 21.040 -12.521 -15.149 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.862 -12.987 -15.214 1.00 0.00 O ATOM 0 H ASP A 152 18.513 -9.609 -17.255 1.00 0.00 H new ATOM 0 HA ASP A 152 20.859 -10.182 -15.884 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.720 -11.564 -17.221 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.223 -12.266 -17.784 1.00 0.00 H new ATOM 183 N ARG A 153 21.301 -9.794 -19.126 1.00 0.00 N ATOM 184 CA ARG A 153 22.310 -9.643 -20.167 1.00 0.00 C ATOM 185 C ARG A 153 23.452 -8.754 -19.664 1.00 0.00 C ATOM 186 O ARG A 153 24.624 -9.057 -19.889 1.00 0.00 O ATOM 187 CB ARG A 153 21.659 -9.023 -21.410 1.00 0.00 C ATOM 188 CG ARG A 153 22.495 -9.324 -22.655 1.00 0.00 C ATOM 189 CD ARG A 153 22.190 -8.281 -23.736 1.00 0.00 C ATOM 190 NE ARG A 153 22.417 -8.833 -25.082 1.00 0.00 N ATOM 191 CZ ARG A 153 21.446 -9.384 -25.845 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.158 -9.342 -25.466 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.774 -9.982 -26.998 1.00 0.00 N ATOM 0 H ARG A 153 20.357 -9.550 -19.424 1.00 0.00 H new ATOM 0 HA ARG A 153 22.721 -10.619 -20.424 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.651 -9.419 -21.536 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.564 -7.945 -21.279 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.556 -9.307 -22.407 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.270 -10.324 -23.025 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.156 -7.950 -23.645 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.820 -7.404 -23.588 1.00 0.00 H new ATOM 0 HE ARG A 153 23.363 -8.798 -25.462 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.899 -8.889 -24.590 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.439 -9.763 -26.055 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.749 -10.019 -27.294 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.048 -10.400 -27.580 1.00 0.00 H new ATOM 207 N ILE A 154 23.101 -7.655 -18.984 1.00 0.00 N ATOM 208 CA ILE A 154 24.083 -6.714 -18.465 1.00 0.00 C ATOM 209 C ILE A 154 24.908 -7.381 -17.368 1.00 0.00 C ATOM 210 O ILE A 154 26.135 -7.262 -17.354 1.00 0.00 O ATOM 211 CB ILE A 154 23.367 -5.465 -17.916 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.399 -4.879 -18.968 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.407 -4.410 -17.519 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.112 -4.644 -20.306 1.00 0.00 C ATOM 0 H ILE A 154 22.134 -7.401 -18.783 1.00 0.00 H new ATOM 0 HA ILE A 154 24.753 -6.409 -19.269 1.00 0.00 H new ATOM 0 HB ILE A 154 22.786 -5.754 -17.040 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.561 -5.560 -19.114 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.986 -3.939 -18.603 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.900 -3.527 -17.131 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.064 -4.818 -16.751 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.998 -4.134 -18.393 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.406 -4.231 -21.027 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.935 -3.944 -20.162 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.502 -5.590 -20.681 1.00 0.00 H new ATOM 226 N ILE A 155 24.233 -8.082 -16.447 1.00 0.00 N ATOM 227 CA ILE A 155 24.907 -8.754 -15.344 1.00 0.00 C ATOM 228 C ILE A 155 25.903 -9.765 -15.903 1.00 0.00 C ATOM 229 O ILE A 155 27.020 -9.855 -15.422 1.00 0.00 O ATOM 230 CB ILE A 155 23.889 -9.463 -14.426 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.722 -8.524 -14.080 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.595 -9.893 -13.130 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.692 -9.273 -13.234 1.00 0.00 C ATOM 0 H ILE A 155 23.219 -8.195 -16.450 1.00 0.00 H new ATOM 0 HA ILE A 155 25.436 -8.010 -14.749 1.00 0.00 H new ATOM 0 HB ILE A 155 23.493 -10.334 -14.948 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.091 -7.655 -13.536 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.257 -8.154 -14.994 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.882 -10.395 -12.476 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.410 -10.576 -13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.994 -9.014 -12.624 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.866 -8.605 -12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.314 -10.128 -13.794 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.161 -9.621 -12.314 1.00 0.00 H new ATOM 245 N TYR A 156 25.487 -10.522 -16.924 1.00 0.00 N ATOM 246 CA TYR A 156 26.332 -11.532 -17.541 1.00 0.00 C ATOM 247 C TYR A 156 27.550 -10.887 -18.199 1.00 0.00 C ATOM 248 O TYR A 156 28.678 -11.296 -17.939 1.00 0.00 O ATOM 249 CB TYR A 156 25.511 -12.313 -18.573 1.00 0.00 C ATOM 250 CG TYR A 156 26.366 -13.129 -19.521 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.943 -14.336 -19.088 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.594 -12.672 -20.832 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.747 -15.084 -19.965 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.398 -13.419 -21.707 1.00 0.00 C ATOM 255 CZ TYR A 156 27.974 -14.625 -21.274 1.00 0.00 C ATOM 256 OH TYR A 156 28.762 -15.346 -22.126 1.00 0.00 O ATOM 0 H TYR A 156 24.558 -10.447 -17.339 1.00 0.00 H new ATOM 0 HA TYR A 156 26.692 -12.217 -16.774 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.822 -12.978 -18.052 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.905 -11.614 -19.150 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.768 -14.688 -18.082 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.150 -11.746 -21.165 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.190 -16.011 -19.633 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.574 -13.067 -22.713 1.00 0.00 H new ATOM 0 HH TYR A 156 28.294 -15.471 -22.978 1.00 0.00 H new ATOM 266 N GLN A 157 27.322 -9.887 -19.057 1.00 0.00 N ATOM 267 CA GLN A 157 28.403 -9.220 -19.771 1.00 0.00 C ATOM 268 C GLN A 157 29.433 -8.662 -18.788 1.00 0.00 C ATOM 269 O GLN A 157 30.636 -8.824 -18.990 1.00 0.00 O ATOM 270 CB GLN A 157 27.816 -8.099 -20.639 1.00 0.00 C ATOM 271 CG GLN A 157 28.842 -7.664 -21.691 1.00 0.00 C ATOM 272 CD GLN A 157 28.441 -6.338 -22.330 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.108 -5.326 -22.132 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.351 -6.344 -23.097 1.00 0.00 N ATOM 0 H GLN A 157 26.393 -9.524 -19.271 1.00 0.00 H new ATOM 0 HA GLN A 157 28.912 -9.940 -20.411 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.905 -8.444 -21.128 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.540 -7.250 -20.014 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.824 -7.566 -21.228 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.927 -8.431 -22.460 1.00 0.00 H new ATOM 0 HE21 GLN A 157 26.828 -7.209 -23.233 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.040 -5.484 -23.548 1.00 0.00 H new ATOM 283 N ALA A 158 28.964 -8.000 -17.729 1.00 0.00 N ATOM 284 CA ALA A 158 29.849 -7.409 -16.741 1.00 0.00 C ATOM 285 C ALA A 158 30.525 -8.498 -15.904 1.00 0.00 C ATOM 286 O ALA A 158 31.728 -8.445 -15.686 1.00 0.00 O ATOM 287 CB ALA A 158 29.047 -6.457 -15.857 1.00 0.00 C ATOM 0 H ALA A 158 27.971 -7.863 -17.539 1.00 0.00 H new ATOM 0 HA ALA A 158 30.635 -6.848 -17.246 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.706 -6.010 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.609 -5.671 -16.472 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.253 -7.009 -15.354 1.00 0.00 H new ATOM 293 N HIS A 159 29.747 -9.479 -15.436 1.00 0.00 N ATOM 294 CA HIS A 159 30.261 -10.560 -14.601 1.00 0.00 C ATOM 295 C HIS A 159 31.331 -11.363 -15.341 1.00 0.00 C ATOM 296 O HIS A 159 32.296 -11.807 -14.734 1.00 0.00 O ATOM 297 CB HIS A 159 29.101 -11.472 -14.187 1.00 0.00 C ATOM 298 CG HIS A 159 29.547 -12.643 -13.352 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.081 -13.802 -13.904 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.550 -12.865 -11.999 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.367 -14.626 -12.877 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.065 -14.113 -11.684 1.00 0.00 N ATOM 0 H HIS A 159 28.747 -9.543 -15.627 1.00 0.00 H new ATOM 0 HA HIS A 159 30.724 -10.131 -13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.370 -10.890 -13.626 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.598 -11.840 -15.081 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.194 -12.154 -11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.799 -15.607 -13.008 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.184 -14.536 -10.763 1.00 0.00 H new ATOM 310 N LYS A 160 31.159 -11.557 -16.646 1.00 0.00 N ATOM 311 CA LYS A 160 32.106 -12.327 -17.436 1.00 0.00 C ATOM 312 C LYS A 160 33.482 -11.647 -17.457 1.00 0.00 C ATOM 313 O LYS A 160 34.493 -12.315 -17.659 1.00 0.00 O ATOM 314 CB LYS A 160 31.553 -12.492 -18.857 1.00 0.00 C ATOM 315 CG LYS A 160 32.505 -13.357 -19.693 1.00 0.00 C ATOM 316 CD LYS A 160 31.761 -13.950 -20.895 1.00 0.00 C ATOM 317 CE LYS A 160 31.214 -12.828 -21.784 1.00 0.00 C ATOM 318 NZ LYS A 160 30.673 -13.370 -23.044 1.00 0.00 N ATOM 0 H LYS A 160 30.369 -11.189 -17.177 1.00 0.00 H new ATOM 0 HA LYS A 160 32.237 -13.311 -16.985 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.566 -12.953 -18.821 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.431 -11.515 -19.324 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.347 -12.756 -20.037 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.915 -14.158 -19.078 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.434 -14.585 -21.471 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.943 -14.582 -20.550 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.433 -12.285 -21.252 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.007 -12.112 -22.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.233 -12.603 -23.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.444 -13.793 -23.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.960 -14.097 -22.832 1.00 0.00 H new ATOM 332 N ARG A 161 33.517 -10.321 -17.258 1.00 0.00 N ATOM 333 CA ARG A 161 34.765 -9.563 -17.299 1.00 0.00 C ATOM 334 C ARG A 161 35.291 -9.261 -15.888 1.00 0.00 C ATOM 335 O ARG A 161 36.487 -9.388 -15.640 1.00 0.00 O ATOM 336 CB ARG A 161 34.520 -8.257 -18.060 1.00 0.00 C ATOM 337 CG ARG A 161 34.281 -8.558 -19.545 1.00 0.00 C ATOM 338 CD ARG A 161 33.834 -7.283 -20.264 1.00 0.00 C ATOM 339 NE ARG A 161 32.474 -6.906 -19.858 1.00 0.00 N ATOM 340 CZ ARG A 161 31.899 -5.741 -20.202 1.00 0.00 C ATOM 341 NH1 ARG A 161 32.533 -4.890 -21.020 1.00 0.00 N ATOM 342 NH2 ARG A 161 30.687 -5.432 -19.726 1.00 0.00 N ATOM 0 H ARG A 161 32.690 -9.755 -17.067 1.00 0.00 H new ATOM 0 HA ARG A 161 35.522 -10.161 -17.806 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.658 -7.738 -17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.377 -7.593 -17.947 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.194 -8.942 -20.000 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.521 -9.332 -19.651 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.525 -6.471 -20.037 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.867 -7.437 -21.342 1.00 0.00 H new ATOM 0 HE ARG A 161 31.939 -7.561 -19.287 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.456 -5.125 -21.385 1.00 0.00 H new ATOM 0 HH12 ARG A 161 32.092 -4.007 -21.278 1.00 0.00 H new ATOM 0 HH21 ARG A 161 30.203 -6.080 -19.104 1.00 0.00 H new ATOM 0 HH22 ARG A 161 30.247 -4.549 -19.985 1.00 0.00 H new ATOM 356 N LEU A 162 34.404 -8.842 -14.977 1.00 0.00 N ATOM 357 CA LEU A 162 34.797 -8.433 -13.628 1.00 0.00 C ATOM 358 C LEU A 162 34.701 -9.593 -12.630 1.00 0.00 C ATOM 359 O LEU A 162 35.408 -9.593 -11.623 1.00 0.00 O ATOM 360 CB LEU A 162 33.893 -7.277 -13.170 1.00 0.00 C ATOM 361 CG LEU A 162 33.926 -6.119 -14.183 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.961 -5.023 -13.723 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.341 -5.540 -14.280 1.00 0.00 C ATOM 0 H LEU A 162 33.402 -8.778 -15.155 1.00 0.00 H new ATOM 0 HA LEU A 162 35.838 -8.111 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.870 -7.634 -13.054 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.219 -6.920 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 162 33.628 -6.493 -15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.979 -4.199 -14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.951 -5.429 -13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.264 -4.660 -12.741 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.351 -4.722 -15.000 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.650 -5.168 -13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.031 -6.318 -14.606 1.00 0.00 H new ATOM 375 N GLY A 163 33.826 -10.566 -12.895 1.00 0.00 N ATOM 376 CA GLY A 163 33.618 -11.693 -11.993 1.00 0.00 C ATOM 377 C GLY A 163 32.477 -11.368 -11.032 1.00 0.00 C ATOM 378 O GLY A 163 31.544 -10.655 -11.399 1.00 0.00 O ATOM 0 H GLY A 163 33.248 -10.592 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.383 -12.591 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.531 -11.900 -11.435 1.00 0.00 H new ATOM 382 N ASN A 164 32.552 -11.879 -9.794 1.00 0.00 N ATOM 383 CA ASN A 164 31.523 -11.622 -8.783 1.00 0.00 C ATOM 384 C ASN A 164 31.741 -10.239 -8.161 1.00 0.00 C ATOM 385 O ASN A 164 31.628 -10.078 -6.947 1.00 0.00 O ATOM 386 CB ASN A 164 31.577 -12.707 -7.698 1.00 0.00 C ATOM 387 CG ASN A 164 31.530 -14.108 -8.304 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.454 -14.634 -8.573 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.700 -14.714 -8.513 1.00 0.00 N ATOM 0 H ASN A 164 33.316 -12.473 -9.472 1.00 0.00 H new ATOM 0 HA ASN A 164 30.541 -11.645 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.490 -12.593 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.740 -12.578 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.724 -15.653 -8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.570 -14.239 -8.274 1.00 0.00 H new ATOM 396 N ARG A 165 32.057 -9.243 -8.997 1.00 0.00 N ATOM 397 CA ARG A 165 32.318 -7.891 -8.535 1.00 0.00 C ATOM 398 C ARG A 165 31.014 -7.089 -8.547 1.00 0.00 C ATOM 399 O ARG A 165 30.899 -6.070 -9.232 1.00 0.00 O ATOM 400 CB ARG A 165 33.404 -7.262 -9.433 1.00 0.00 C ATOM 401 CG ARG A 165 34.613 -6.869 -8.582 1.00 0.00 C ATOM 402 CD ARG A 165 35.716 -6.314 -9.487 1.00 0.00 C ATOM 403 NE ARG A 165 36.815 -5.740 -8.697 1.00 0.00 N ATOM 404 CZ ARG A 165 36.764 -4.513 -8.143 1.00 0.00 C ATOM 405 NH1 ARG A 165 35.653 -3.775 -8.240 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.829 -4.029 -7.492 1.00 0.00 N ATOM 0 H ARG A 165 32.137 -9.359 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 165 32.688 -7.892 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.705 -7.970 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.005 -6.385 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.324 -6.122 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.981 -7.735 -8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.101 -7.109 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.300 -5.551 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 165 37.658 -6.298 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 165 34.840 -4.141 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 165 35.619 -2.847 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.678 -4.589 -7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.791 -3.100 -7.072 1.00 0.00 H new ATOM 420 N TRP A 166 30.023 -7.553 -7.775 1.00 0.00 N ATOM 421 CA TRP A 166 28.736 -6.876 -7.695 1.00 0.00 C ATOM 422 C TRP A 166 28.935 -5.447 -7.195 1.00 0.00 C ATOM 423 O TRP A 166 28.119 -4.587 -7.468 1.00 0.00 O ATOM 424 CB TRP A 166 27.778 -7.634 -6.778 1.00 0.00 C ATOM 425 CG TRP A 166 28.030 -9.100 -6.666 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.558 -9.701 -5.599 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.782 -10.165 -7.632 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.660 -11.056 -5.793 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.189 -11.405 -7.045 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.257 -10.222 -8.944 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.078 -12.624 -7.716 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.142 -11.454 -9.625 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.553 -12.650 -9.011 1.00 0.00 C ATOM 0 H TRP A 166 30.094 -8.393 -7.201 1.00 0.00 H new ATOM 0 HA TRP A 166 28.295 -6.847 -8.691 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.832 -7.196 -5.782 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.760 -7.483 -7.138 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.865 -9.188 -4.699 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.032 -11.714 -5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.940 -9.312 -9.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.395 -13.539 -7.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.735 -11.477 -10.625 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.463 -13.588 -9.539 1.00 0.00 H new ATOM 444 N ALA A 167 30.030 -5.198 -6.465 1.00 0.00 N ATOM 445 CA ALA A 167 30.335 -3.870 -5.963 1.00 0.00 C ATOM 446 C ALA A 167 30.350 -2.863 -7.117 1.00 0.00 C ATOM 447 O ALA A 167 29.889 -1.737 -6.955 1.00 0.00 O ATOM 448 CB ALA A 167 31.690 -3.899 -5.255 1.00 0.00 C ATOM 0 H ALA A 167 30.717 -5.909 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 167 29.568 -3.562 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.924 -2.904 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.652 -4.604 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.462 -4.210 -5.959 1.00 0.00 H new ATOM 454 N GLU A 168 30.880 -3.273 -8.281 1.00 0.00 N ATOM 455 CA GLU A 168 30.957 -2.403 -9.448 1.00 0.00 C ATOM 456 C GLU A 168 29.740 -2.604 -10.347 1.00 0.00 C ATOM 457 O GLU A 168 29.172 -1.632 -10.827 1.00 0.00 O ATOM 458 CB GLU A 168 32.249 -2.691 -10.220 1.00 0.00 C ATOM 459 CG GLU A 168 33.435 -2.026 -9.513 1.00 0.00 C ATOM 460 CD GLU A 168 33.358 -0.504 -9.615 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.398 -0.008 -10.762 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.261 0.132 -8.542 1.00 0.00 O ATOM 0 H GLU A 168 31.261 -4.207 -8.431 1.00 0.00 H new ATOM 0 HA GLU A 168 30.965 -1.365 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.411 -3.767 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.165 -2.316 -11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.449 -2.322 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.368 -2.376 -9.955 1.00 0.00 H new ATOM 469 N ILE A 169 29.337 -3.861 -10.580 1.00 0.00 N ATOM 470 CA ILE A 169 28.186 -4.152 -11.437 1.00 0.00 C ATOM 471 C ILE A 169 26.952 -3.418 -10.896 1.00 0.00 C ATOM 472 O ILE A 169 26.173 -2.855 -11.664 1.00 0.00 O ATOM 473 CB ILE A 169 27.948 -5.673 -11.500 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.197 -6.376 -12.064 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.744 -5.969 -12.403 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.125 -7.884 -11.802 1.00 0.00 C ATOM 0 H ILE A 169 29.790 -4.686 -10.188 1.00 0.00 H new ATOM 0 HA ILE A 169 28.381 -3.802 -12.451 1.00 0.00 H new ATOM 0 HB ILE A 169 27.750 -6.044 -10.495 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.274 -6.190 -13.135 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.094 -5.963 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.577 -7.045 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.857 -5.481 -11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.940 -5.592 -13.407 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.015 -8.366 -12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.071 -8.065 -10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.238 -8.295 -12.284 1.00 0.00 H new ATOM 488 N ALA A 170 26.787 -3.426 -9.569 1.00 0.00 N ATOM 489 CA ALA A 170 25.671 -2.766 -8.911 1.00 0.00 C ATOM 490 C ALA A 170 25.725 -1.256 -9.162 1.00 0.00 C ATOM 491 O ALA A 170 24.697 -0.640 -9.425 1.00 0.00 O ATOM 492 CB ALA A 170 25.717 -3.074 -7.408 1.00 0.00 C ATOM 0 H ALA A 170 27.428 -3.892 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 170 24.732 -3.139 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.882 -2.581 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.646 -4.151 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.655 -2.709 -6.990 1.00 0.00 H new ATOM 498 N LYS A 171 26.927 -0.664 -9.083 1.00 0.00 N ATOM 499 CA LYS A 171 27.104 0.769 -9.306 1.00 0.00 C ATOM 500 C LYS A 171 26.831 1.113 -10.772 1.00 0.00 C ATOM 501 O LYS A 171 26.213 2.134 -11.064 1.00 0.00 O ATOM 502 CB LYS A 171 28.531 1.175 -8.922 1.00 0.00 C ATOM 503 CG LYS A 171 28.680 1.191 -7.399 1.00 0.00 C ATOM 504 CD LYS A 171 30.147 1.452 -7.035 1.00 0.00 C ATOM 505 CE LYS A 171 30.353 1.289 -5.525 1.00 0.00 C ATOM 506 NZ LYS A 171 29.592 2.300 -4.769 1.00 0.00 N ATOM 0 H LYS A 171 27.790 -1.162 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 171 26.397 1.319 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.246 0.477 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.759 2.160 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.044 1.964 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.353 0.239 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.792 0.759 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.432 2.458 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.040 0.291 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.413 1.377 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.855 2.253 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.810 3.247 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.574 2.115 -4.869 1.00 0.00 H new ATOM 520 N LEU A 172 27.299 0.258 -11.690 1.00 0.00 N ATOM 521 CA LEU A 172 27.112 0.471 -13.118 1.00 0.00 C ATOM 522 C LEU A 172 25.625 0.400 -13.466 1.00 0.00 C ATOM 523 O LEU A 172 25.163 1.117 -14.352 1.00 0.00 O ATOM 524 CB LEU A 172 27.907 -0.584 -13.900 1.00 0.00 C ATOM 525 CG LEU A 172 29.414 -0.287 -13.812 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.205 -1.561 -14.121 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.794 0.801 -14.823 1.00 0.00 C ATOM 0 H LEU A 172 27.813 -0.592 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 172 27.479 1.460 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.701 -1.576 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.590 -0.589 -14.943 1.00 0.00 H new ATOM 0 HG LEU A 172 29.650 0.059 -12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.273 -1.350 -14.059 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.945 -2.335 -13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.961 -1.906 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.863 1.005 -14.754 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.554 0.461 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.236 1.712 -14.605 1.00 0.00 H new ATOM 539 N LEU A 173 24.875 -0.459 -12.764 1.00 0.00 N ATOM 540 CA LEU A 173 23.444 -0.593 -12.989 1.00 0.00 C ATOM 541 C LEU A 173 22.718 0.564 -12.286 1.00 0.00 C ATOM 542 O LEU A 173 23.236 1.109 -11.315 1.00 0.00 O ATOM 543 CB LEU A 173 22.972 -1.948 -12.452 1.00 0.00 C ATOM 544 CG LEU A 173 23.372 -3.072 -13.422 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.317 -4.417 -12.695 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.409 -3.106 -14.613 1.00 0.00 C ATOM 0 H LEU A 173 25.244 -1.070 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 173 23.219 -0.550 -14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.410 -2.131 -11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.890 -1.939 -12.321 1.00 0.00 H new ATOM 0 HG LEU A 173 24.384 -2.886 -13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.600 -5.214 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.007 -4.403 -11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.304 -4.594 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.701 -3.905 -15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.395 -3.286 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.445 -2.151 -15.137 1.00 0.00 H new ATOM 558 N PRO A 174 21.523 0.956 -12.781 1.00 0.00 N ATOM 559 CA PRO A 174 20.781 2.076 -12.233 1.00 0.00 C ATOM 560 C PRO A 174 20.215 1.758 -10.836 1.00 0.00 C ATOM 561 O PRO A 174 20.898 1.960 -9.835 1.00 0.00 O ATOM 562 CB PRO A 174 19.680 2.368 -13.264 1.00 0.00 C ATOM 563 CG PRO A 174 19.581 1.120 -14.148 1.00 0.00 C ATOM 564 CD PRO A 174 20.870 0.328 -13.916 1.00 0.00 C ATOM 0 HA PRO A 174 21.415 2.949 -12.076 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.729 2.573 -12.771 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.927 3.248 -13.858 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.706 0.525 -13.885 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.476 1.394 -15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.653 -0.720 -13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.509 0.355 -14.798 1.00 0.00 H new ATOM 572 N GLY A 175 18.961 1.280 -10.765 1.00 0.00 N ATOM 573 CA GLY A 175 18.297 1.019 -9.491 1.00 0.00 C ATOM 574 C GLY A 175 18.530 -0.411 -9.014 1.00 0.00 C ATOM 575 O GLY A 175 17.576 -1.096 -8.651 1.00 0.00 O ATOM 0 H GLY A 175 18.390 1.068 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.665 1.717 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.227 1.198 -9.595 1.00 0.00 H new ATOM 579 N ARG A 176 19.793 -0.857 -9.005 1.00 0.00 N ATOM 580 CA ARG A 176 20.145 -2.201 -8.551 1.00 0.00 C ATOM 581 C ARG A 176 21.099 -2.092 -7.360 1.00 0.00 C ATOM 582 O ARG A 176 21.663 -1.026 -7.117 1.00 0.00 O ATOM 583 CB ARG A 176 20.794 -2.986 -9.698 1.00 0.00 C ATOM 584 CG ARG A 176 19.899 -2.973 -10.951 1.00 0.00 C ATOM 585 CD ARG A 176 18.551 -3.640 -10.661 1.00 0.00 C ATOM 586 NE ARG A 176 17.868 -3.992 -11.914 1.00 0.00 N ATOM 587 CZ ARG A 176 16.738 -4.716 -11.959 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.216 -5.229 -10.836 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.133 -4.921 -13.133 1.00 0.00 N ATOM 0 H ARG A 176 20.590 -0.299 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 176 19.247 -2.735 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.765 -2.553 -9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.972 -4.015 -9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.739 -1.946 -11.279 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.400 -3.494 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.704 -4.536 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.925 -2.967 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 176 18.273 -3.670 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.677 -5.070 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.357 -5.778 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.530 -4.529 -13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.274 -5.470 -13.175 1.00 0.00 H new ATOM 603 N THR A 177 21.275 -3.194 -6.612 1.00 0.00 N ATOM 604 CA THR A 177 22.143 -3.203 -5.437 1.00 0.00 C ATOM 605 C THR A 177 22.979 -4.481 -5.403 1.00 0.00 C ATOM 606 O THR A 177 22.642 -5.471 -6.058 1.00 0.00 O ATOM 607 CB THR A 177 21.293 -3.092 -4.162 1.00 0.00 C ATOM 608 OG1 THR A 177 20.410 -4.191 -4.082 1.00 0.00 O ATOM 609 CG2 THR A 177 20.486 -1.790 -4.176 1.00 0.00 C ATOM 0 H THR A 177 20.824 -4.088 -6.806 1.00 0.00 H new ATOM 0 HA THR A 177 22.819 -2.349 -5.491 1.00 0.00 H new ATOM 0 HB THR A 177 21.956 -3.091 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.870 -4.118 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.888 -1.723 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.167 -0.940 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.828 -1.779 -5.045 1.00 0.00 H new ATOM 617 N ASP A 178 24.072 -4.447 -4.625 1.00 0.00 N ATOM 618 CA ASP A 178 24.968 -5.583 -4.467 1.00 0.00 C ATOM 619 C ASP A 178 24.179 -6.812 -4.026 1.00 0.00 C ATOM 620 O ASP A 178 24.235 -7.848 -4.675 1.00 0.00 O ATOM 621 CB ASP A 178 26.039 -5.221 -3.425 1.00 0.00 C ATOM 622 CG ASP A 178 26.982 -6.392 -3.152 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.521 -7.361 -2.505 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.147 -6.295 -3.589 1.00 0.00 O ATOM 0 H ASP A 178 24.352 -3.625 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 178 25.450 -5.816 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.615 -4.365 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.555 -4.919 -2.496 1.00 0.00 H new ATOM 629 N ASN A 179 23.449 -6.687 -2.913 1.00 0.00 N ATOM 630 CA ASN A 179 22.675 -7.787 -2.352 1.00 0.00 C ATOM 631 C ASN A 179 21.692 -8.352 -3.378 1.00 0.00 C ATOM 632 O ASN A 179 21.586 -9.570 -3.524 1.00 0.00 O ATOM 633 CB ASN A 179 21.923 -7.290 -1.115 1.00 0.00 C ATOM 634 CG ASN A 179 22.895 -6.816 -0.040 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.213 -5.633 0.032 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.367 -7.743 0.795 1.00 0.00 N ATOM 0 H ASN A 179 23.381 -5.820 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 179 23.357 -8.590 -2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.257 -6.474 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.298 -8.090 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.021 -7.480 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.074 -8.715 0.696 1.00 0.00 H new ATOM 643 N ALA A 180 20.967 -7.472 -4.080 1.00 0.00 N ATOM 644 CA ALA A 180 19.967 -7.897 -5.051 1.00 0.00 C ATOM 645 C ALA A 180 20.602 -8.748 -6.151 1.00 0.00 C ATOM 646 O ALA A 180 20.133 -9.850 -6.425 1.00 0.00 O ATOM 647 CB ALA A 180 19.280 -6.668 -5.647 1.00 0.00 C ATOM 0 H ALA A 180 21.059 -6.460 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 180 19.223 -8.512 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.532 -6.986 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.796 -6.101 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.022 -6.040 -6.141 1.00 0.00 H new ATOM 653 N ILE A 181 21.661 -8.239 -6.784 1.00 0.00 N ATOM 654 CA ILE A 181 22.328 -8.956 -7.865 1.00 0.00 C ATOM 655 C ILE A 181 22.978 -10.231 -7.329 1.00 0.00 C ATOM 656 O ILE A 181 22.897 -11.282 -7.957 1.00 0.00 O ATOM 657 CB ILE A 181 23.387 -8.048 -8.508 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.716 -6.821 -9.134 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.127 -8.826 -9.600 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.722 -5.677 -9.240 1.00 0.00 C ATOM 0 H ILE A 181 22.073 -7.332 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 181 21.592 -9.234 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 181 24.090 -7.723 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.331 -7.071 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.864 -6.513 -8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.879 -8.184 -10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.613 -9.697 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.417 -9.151 -10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.239 -4.808 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.086 -5.419 -8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.560 -5.986 -9.864 1.00 0.00 H new ATOM 672 N LYS A 182 23.632 -10.123 -6.173 1.00 0.00 N ATOM 673 CA LYS A 182 24.344 -11.232 -5.566 1.00 0.00 C ATOM 674 C LYS A 182 23.414 -12.424 -5.335 1.00 0.00 C ATOM 675 O LYS A 182 23.691 -13.514 -5.827 1.00 0.00 O ATOM 676 CB LYS A 182 24.962 -10.750 -4.250 1.00 0.00 C ATOM 677 CG LYS A 182 25.773 -11.875 -3.595 1.00 0.00 C ATOM 678 CD LYS A 182 26.835 -11.273 -2.663 1.00 0.00 C ATOM 679 CE LYS A 182 26.172 -10.624 -1.441 1.00 0.00 C ATOM 680 NZ LYS A 182 26.990 -9.510 -0.926 1.00 0.00 N ATOM 0 H LYS A 182 23.679 -9.258 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 182 25.133 -11.572 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.606 -9.891 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.176 -10.418 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.111 -12.533 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.251 -12.485 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.526 -12.051 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.422 -10.530 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.182 -10.258 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.033 -11.370 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.593 -9.176 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.966 -9.837 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.989 -8.731 -1.615 1.00 0.00 H new ATOM 694 N ASN A 183 22.321 -12.231 -4.583 1.00 0.00 N ATOM 695 CA ASN A 183 21.416 -13.334 -4.272 1.00 0.00 C ATOM 696 C ASN A 183 20.710 -13.823 -5.541 1.00 0.00 C ATOM 697 O ASN A 183 20.494 -15.022 -5.698 1.00 0.00 O ATOM 698 CB ASN A 183 20.411 -12.912 -3.188 1.00 0.00 C ATOM 699 CG ASN A 183 19.139 -12.323 -3.788 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.174 -13.041 -4.030 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.140 -11.018 -4.026 1.00 0.00 N ATOM 0 H ASN A 183 22.049 -11.332 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 183 21.997 -14.168 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.156 -13.776 -2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.875 -12.178 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.315 -10.572 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.966 -10.461 -3.808 1.00 0.00 H new ATOM 708 N HIS A 184 20.354 -12.899 -6.445 1.00 0.00 N ATOM 709 CA HIS A 184 19.685 -13.258 -7.687 1.00 0.00 C ATOM 710 C HIS A 184 20.566 -14.200 -8.502 1.00 0.00 C ATOM 711 O HIS A 184 20.117 -15.273 -8.913 1.00 0.00 O ATOM 712 CB HIS A 184 19.377 -11.991 -8.487 1.00 0.00 C ATOM 713 CG HIS A 184 19.067 -12.280 -9.932 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.103 -13.201 -10.328 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.589 -11.792 -11.103 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.103 -13.207 -11.676 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.989 -12.367 -12.210 1.00 0.00 N ATOM 0 H HIS A 184 20.522 -11.899 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 184 18.750 -13.770 -7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.530 -11.476 -8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.229 -11.314 -8.430 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.372 -11.050 -11.155 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.449 -13.832 -12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.179 -12.190 -13.196 1.00 0.00 H new ATOM 725 N TRP A 185 21.819 -13.795 -8.742 1.00 0.00 N ATOM 726 CA TRP A 185 22.741 -14.593 -9.526 1.00 0.00 C ATOM 727 C TRP A 185 23.024 -15.912 -8.813 1.00 0.00 C ATOM 728 O TRP A 185 22.969 -16.967 -9.436 1.00 0.00 O ATOM 729 CB TRP A 185 24.039 -13.815 -9.775 1.00 0.00 C ATOM 730 CG TRP A 185 25.024 -14.533 -10.652 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.737 -15.611 -10.298 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.408 -14.259 -12.034 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.529 -16.046 -11.332 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.370 -15.240 -12.440 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.043 -13.292 -12.993 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.934 -15.256 -13.718 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.613 -13.299 -14.283 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.557 -14.279 -14.644 1.00 0.00 C ATOM 0 H TRP A 185 22.209 -12.917 -8.400 1.00 0.00 H new ATOM 0 HA TRP A 185 22.289 -14.814 -10.493 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.794 -12.856 -10.231 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.511 -13.600 -8.816 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.694 -16.078 -9.325 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.150 -16.854 -11.287 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.317 -12.535 -12.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.653 -16.015 -13.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.323 -12.546 -15.000 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.989 -14.276 -15.634 1.00 0.00 H new ATOM 749 N ASN A 186 23.326 -15.854 -7.505 1.00 0.00 N ATOM 750 CA ASN A 186 23.613 -17.055 -6.722 1.00 0.00 C ATOM 751 C ASN A 186 22.301 -17.742 -6.338 1.00 0.00 C ATOM 752 O ASN A 186 22.031 -17.972 -5.161 1.00 0.00 O ATOM 753 CB ASN A 186 24.431 -16.687 -5.479 1.00 0.00 C ATOM 754 CG ASN A 186 25.856 -16.297 -5.862 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.745 -17.144 -5.890 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.073 -15.018 -6.158 1.00 0.00 N ATOM 0 H ASN A 186 23.376 -14.985 -6.973 1.00 0.00 H new ATOM 0 HA ASN A 186 24.203 -17.750 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.952 -15.860 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.453 -17.531 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 186 27.008 -14.707 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.304 -14.349 -6.122 1.00 0.00 H new ATOM 763 N SER A 187 21.498 -18.067 -7.353 1.00 0.00 N ATOM 764 CA SER A 187 20.217 -18.728 -7.181 1.00 0.00 C ATOM 765 C SER A 187 19.671 -19.069 -8.564 1.00 0.00 C ATOM 766 O SER A 187 19.331 -20.219 -8.838 1.00 0.00 O ATOM 767 CB SER A 187 19.248 -17.807 -6.425 1.00 0.00 C ATOM 768 OG SER A 187 17.982 -18.424 -6.333 1.00 0.00 O ATOM 0 H SER A 187 21.728 -17.873 -8.328 1.00 0.00 H new ATOM 0 HA SER A 187 20.334 -19.640 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.634 -17.596 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.161 -16.851 -6.942 1.00 0.00 H new ATOM 0 HG SER A 187 17.366 -17.836 -5.849 1.00 0.00 H new ATOM 774 N THR A 188 19.598 -18.053 -9.436 1.00 0.00 N ATOM 775 CA THR A 188 19.097 -18.217 -10.790 1.00 0.00 C ATOM 776 C THR A 188 20.259 -18.521 -11.739 1.00 0.00 C ATOM 777 O THR A 188 20.266 -19.556 -12.405 1.00 0.00 O ATOM 778 CB THR A 188 18.366 -16.932 -11.218 1.00 0.00 C ATOM 779 OG1 THR A 188 17.587 -16.446 -10.144 1.00 0.00 O ATOM 780 CG2 THR A 188 17.456 -17.227 -12.412 1.00 0.00 C ATOM 0 H THR A 188 19.886 -17.100 -9.214 1.00 0.00 H new ATOM 0 HA THR A 188 18.397 -19.051 -10.828 1.00 0.00 H new ATOM 0 HB THR A 188 19.103 -16.181 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.666 -15.470 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.941 -16.314 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.056 -17.595 -13.245 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.722 -17.983 -12.132 1.00 0.00 H new ATOM 788 N MET A 189 21.241 -17.611 -11.798 1.00 0.00 N ATOM 789 CA MET A 189 22.389 -17.756 -12.685 1.00 0.00 C ATOM 790 C MET A 189 23.444 -18.652 -12.036 1.00 0.00 C ATOM 791 O MET A 189 24.577 -18.226 -11.809 1.00 0.00 O ATOM 792 CB MET A 189 22.966 -16.370 -12.990 1.00 0.00 C ATOM 793 CG MET A 189 21.950 -15.534 -13.779 1.00 0.00 C ATOM 794 SD MET A 189 21.878 -15.935 -15.543 1.00 0.00 S ATOM 795 CE MET A 189 23.415 -15.143 -16.073 1.00 0.00 C ATOM 0 H MET A 189 21.257 -16.761 -11.234 1.00 0.00 H new ATOM 0 HA MET A 189 22.076 -18.224 -13.618 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.222 -15.862 -12.060 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.888 -16.470 -13.563 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.961 -15.677 -13.344 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.198 -14.479 -13.667 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.520 -15.238 -17.154 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.393 -14.087 -15.802 1.00 0.00 H new ATOM 0 HE3 MET A 189 24.261 -15.625 -15.583 1.00 0.00 H new ATOM 805 N ARG A 190 23.067 -19.900 -11.746 1.00 0.00 N ATOM 806 CA ARG A 190 23.969 -20.871 -11.146 1.00 0.00 C ATOM 807 C ARG A 190 24.200 -22.004 -12.134 1.00 0.00 C ATOM 808 O ARG A 190 25.326 -22.216 -12.583 1.00 0.00 O ATOM 809 CB ARG A 190 23.359 -21.393 -9.843 1.00 0.00 C ATOM 810 CG ARG A 190 23.517 -20.346 -8.733 1.00 0.00 C ATOM 811 CD ARG A 190 24.937 -20.390 -8.150 1.00 0.00 C ATOM 812 NE ARG A 190 25.795 -19.353 -8.743 1.00 0.00 N ATOM 813 CZ ARG A 190 27.016 -19.054 -8.264 1.00 0.00 C ATOM 814 NH1 ARG A 190 27.549 -19.791 -7.279 1.00 0.00 N ATOM 815 NH2 ARG A 190 27.701 -18.020 -8.768 1.00 0.00 N ATOM 0 H ARG A 190 22.129 -20.260 -11.922 1.00 0.00 H new ATOM 0 HA ARG A 190 24.928 -20.408 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.303 -21.621 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.847 -22.322 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 190 23.311 -19.352 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.788 -20.531 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.892 -20.253 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.375 -21.372 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 190 25.449 -18.838 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.029 -20.579 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 190 28.475 -19.564 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.297 -17.457 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 190 28.627 -17.795 -8.403 1.00 0.00 H new