USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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= -0.161 X(o=0.052,f=-0.17) USER MOD Set 1.2: A 188 THR OG1 : rot 135:sc= 0.213 USER MOD Set 2.1: A 177 THR OG1 : rot -179:sc= 0.0392 USER MOD Set 2.2: A 179 ASN : amide:sc= -0.736 X(o=-0.7,f=-1.1) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.787 K(o=-0.77,f=-5.2!) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.0203 X(o=-0.77,f=-0.53) USER MOD Set 4.1: A 156 TYR OH : rot 30:sc= 0.649 USER MOD Set 4.2: A 160 LYS NZ :NH3+ 180:sc= 0.722 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.467 K(o=0.47,f=-4.9!) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN :FLIP amide:sc= 0.761 F(o=0,f=0.76) USER MOD Single : A 186 ASN : amide:sc=-0.00178 K(o=-0.0018,f=-1.5) USER MOD Single : A 187 SER OG : rot 82:sc= 0.156 USER MOD Single : A 189 MET CE :methyl 179:sc= -1.43 (180deg=-1.43) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.529 -8.236 -12.755 1.00 0.00 N ATOM 89 CA TRP A 147 14.605 -8.845 -13.519 1.00 0.00 C ATOM 90 C TRP A 147 14.051 -9.415 -14.824 1.00 0.00 C ATOM 91 O TRP A 147 12.942 -9.948 -14.847 1.00 0.00 O ATOM 92 CB TRP A 147 15.269 -9.941 -12.681 1.00 0.00 C ATOM 93 CG TRP A 147 16.186 -9.437 -11.607 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.119 -9.751 -10.302 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.327 -8.534 -11.726 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.122 -9.129 -9.594 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.906 -8.360 -10.430 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.939 -7.845 -12.794 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.029 -7.558 -10.213 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.070 -7.032 -12.579 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.616 -6.895 -11.295 1.00 0.00 C ATOM 0 HA TRP A 147 15.356 -8.094 -13.765 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.491 -10.549 -12.220 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.834 -10.596 -13.345 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.377 -10.404 -9.867 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.266 -9.223 -8.589 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.535 -7.942 -13.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.440 -7.451 -9.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.520 -6.510 -13.411 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.489 -6.278 -11.142 1.00 0.00 H new ATOM 112 N THR A 148 14.830 -9.294 -15.909 1.00 0.00 N ATOM 113 CA THR A 148 14.429 -9.782 -17.224 1.00 0.00 C ATOM 114 C THR A 148 15.618 -10.457 -17.906 1.00 0.00 C ATOM 115 O THR A 148 16.759 -10.287 -17.483 1.00 0.00 O ATOM 116 CB THR A 148 13.926 -8.609 -18.077 1.00 0.00 C ATOM 117 OG1 THR A 148 14.957 -7.652 -18.219 1.00 0.00 O ATOM 118 CG2 THR A 148 12.712 -7.955 -17.413 1.00 0.00 C ATOM 0 H THR A 148 15.751 -8.856 -15.893 1.00 0.00 H new ATOM 0 HA THR A 148 13.625 -10.510 -17.113 1.00 0.00 H new ATOM 0 HB THR A 148 13.635 -8.984 -19.058 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.636 -6.904 -18.765 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.365 -7.124 -18.028 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.913 -8.690 -17.311 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.992 -7.584 -16.427 1.00 0.00 H new ATOM 126 N GLU A 149 15.339 -11.218 -18.972 1.00 0.00 N ATOM 127 CA GLU A 149 16.370 -11.917 -19.729 1.00 0.00 C ATOM 128 C GLU A 149 17.465 -10.937 -20.156 1.00 0.00 C ATOM 129 O GLU A 149 18.648 -11.273 -20.128 1.00 0.00 O ATOM 130 CB GLU A 149 15.738 -12.580 -20.962 1.00 0.00 C ATOM 131 CG GLU A 149 14.551 -13.463 -20.546 1.00 0.00 C ATOM 132 CD GLU A 149 13.223 -12.750 -20.788 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.873 -11.894 -19.945 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.585 -13.073 -21.813 1.00 0.00 O ATOM 0 H GLU A 149 14.394 -11.362 -19.328 1.00 0.00 H new ATOM 0 HA GLU A 149 16.820 -12.686 -19.101 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.403 -11.815 -21.662 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.483 -13.183 -21.481 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.574 -14.396 -21.108 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.640 -13.724 -19.491 1.00 0.00 H new ATOM 141 N GLU A 150 17.063 -9.722 -20.549 1.00 0.00 N ATOM 142 CA GLU A 150 18.000 -8.695 -20.965 1.00 0.00 C ATOM 143 C GLU A 150 18.972 -8.396 -19.825 1.00 0.00 C ATOM 144 O GLU A 150 20.185 -8.395 -20.027 1.00 0.00 O ATOM 145 CB GLU A 150 17.221 -7.439 -21.370 1.00 0.00 C ATOM 146 CG GLU A 150 18.183 -6.380 -21.918 1.00 0.00 C ATOM 147 CD GLU A 150 17.416 -5.185 -22.472 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.459 -4.757 -21.789 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.800 -4.722 -23.567 1.00 0.00 O ATOM 0 H GLU A 150 16.085 -9.434 -20.584 1.00 0.00 H new ATOM 0 HA GLU A 150 18.578 -9.038 -21.823 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.476 -7.691 -22.125 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.682 -7.042 -20.510 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.856 -6.050 -21.127 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.802 -6.816 -22.702 1.00 0.00 H new ATOM 156 N GLU A 151 18.435 -8.145 -18.625 1.00 0.00 N ATOM 157 CA GLU A 151 19.254 -7.847 -17.462 1.00 0.00 C ATOM 158 C GLU A 151 20.209 -9.006 -17.185 1.00 0.00 C ATOM 159 O GLU A 151 21.397 -8.784 -16.978 1.00 0.00 O ATOM 160 CB GLU A 151 18.359 -7.593 -16.250 1.00 0.00 C ATOM 161 CG GLU A 151 17.573 -6.288 -16.429 1.00 0.00 C ATOM 162 CD GLU A 151 18.358 -5.097 -15.889 1.00 0.00 C ATOM 163 OE1 GLU A 151 19.340 -4.711 -16.555 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.959 -4.597 -14.814 1.00 0.00 O ATOM 0 H GLU A 151 17.432 -8.144 -18.442 1.00 0.00 H new ATOM 0 HA GLU A 151 19.843 -6.951 -17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.668 -8.426 -16.119 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.966 -7.538 -15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.353 -6.134 -17.485 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.616 -6.362 -15.912 1.00 0.00 H new ATOM 171 N ASP A 152 19.694 -10.244 -17.188 1.00 0.00 N ATOM 172 CA ASP A 152 20.525 -11.422 -16.961 1.00 0.00 C ATOM 173 C ASP A 152 21.708 -11.408 -17.934 1.00 0.00 C ATOM 174 O ASP A 152 22.835 -11.716 -17.547 1.00 0.00 O ATOM 175 CB ASP A 152 19.688 -12.696 -17.143 1.00 0.00 C ATOM 176 CG ASP A 152 18.822 -12.975 -15.916 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.798 -12.276 -15.771 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.201 -13.888 -15.149 1.00 0.00 O ATOM 0 H ASP A 152 18.707 -10.449 -17.345 1.00 0.00 H new ATOM 0 HA ASP A 152 20.909 -11.407 -15.941 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.053 -12.593 -18.023 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.348 -13.544 -17.324 1.00 0.00 H new ATOM 183 N ARG A 153 21.448 -11.045 -19.199 1.00 0.00 N ATOM 184 CA ARG A 153 22.488 -10.986 -20.217 1.00 0.00 C ATOM 185 C ARG A 153 23.504 -9.891 -19.869 1.00 0.00 C ATOM 186 O ARG A 153 24.709 -10.100 -20.006 1.00 0.00 O ATOM 187 CB ARG A 153 21.844 -10.730 -21.592 1.00 0.00 C ATOM 188 CG ARG A 153 22.760 -11.242 -22.716 1.00 0.00 C ATOM 189 CD ARG A 153 23.681 -10.119 -23.208 1.00 0.00 C ATOM 190 NE ARG A 153 24.806 -10.671 -23.975 1.00 0.00 N ATOM 191 CZ ARG A 153 25.968 -10.018 -24.153 1.00 0.00 C ATOM 192 NH1 ARG A 153 26.080 -8.730 -23.801 1.00 0.00 N ATOM 193 NH2 ARG A 153 27.018 -10.656 -24.682 1.00 0.00 N ATOM 0 H ARG A 153 20.520 -10.788 -19.535 1.00 0.00 H new ATOM 0 HA ARG A 153 23.020 -11.937 -20.254 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.877 -11.230 -21.646 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.660 -9.664 -21.722 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.357 -12.079 -22.354 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.157 -11.615 -23.544 1.00 0.00 H new ATOM 0 HD2 ARG A 153 23.116 -9.424 -23.830 1.00 0.00 H new ATOM 0 HD3 ARG A 153 24.058 -9.551 -22.357 1.00 0.00 H new ATOM 0 HE ARG A 153 24.700 -11.595 -24.393 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.282 -8.241 -23.396 1.00 0.00 H new ATOM 0 HH12 ARG A 153 26.963 -8.239 -23.938 1.00 0.00 H new ATOM 0 HH21 ARG A 153 26.937 -11.637 -24.950 1.00 0.00 H new ATOM 0 HH22 ARG A 153 27.900 -10.162 -24.817 1.00 0.00 H new ATOM 207 N ILE A 154 23.023 -8.725 -19.419 1.00 0.00 N ATOM 208 CA ILE A 154 23.902 -7.618 -19.054 1.00 0.00 C ATOM 209 C ILE A 154 24.824 -8.050 -17.911 1.00 0.00 C ATOM 210 O ILE A 154 26.036 -7.834 -17.976 1.00 0.00 O ATOM 211 CB ILE A 154 23.059 -6.391 -18.649 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.306 -5.831 -19.875 1.00 0.00 C ATOM 213 CG2 ILE A 154 23.965 -5.307 -18.048 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.239 -5.003 -20.768 1.00 0.00 C ATOM 0 H ILE A 154 22.029 -8.528 -19.301 1.00 0.00 H new ATOM 0 HA ILE A 154 24.518 -7.342 -19.910 1.00 0.00 H new ATOM 0 HB ILE A 154 22.329 -6.699 -17.900 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.882 -6.653 -20.451 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.473 -5.212 -19.542 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.362 -4.444 -17.765 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.469 -5.702 -17.166 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.708 -5.004 -18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.681 -4.622 -21.623 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.643 -4.167 -20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.058 -5.631 -21.120 1.00 0.00 H new ATOM 226 N ILE A 155 24.252 -8.660 -16.865 1.00 0.00 N ATOM 227 CA ILE A 155 25.031 -9.109 -15.720 1.00 0.00 C ATOM 228 C ILE A 155 26.027 -10.177 -16.173 1.00 0.00 C ATOM 229 O ILE A 155 27.159 -10.183 -15.718 1.00 0.00 O ATOM 230 CB ILE A 155 24.103 -9.643 -14.613 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.115 -8.547 -14.183 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.944 -10.061 -13.395 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.940 -9.175 -13.434 1.00 0.00 C ATOM 0 H ILE A 155 23.252 -8.851 -16.795 1.00 0.00 H new ATOM 0 HA ILE A 155 25.586 -8.268 -15.305 1.00 0.00 H new ATOM 0 HB ILE A 155 23.551 -10.501 -14.997 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.618 -7.821 -13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.754 -8.007 -15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.287 -10.439 -12.612 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.646 -10.842 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.496 -9.199 -13.021 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.242 -8.394 -13.131 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.430 -9.884 -14.086 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.308 -9.695 -12.550 1.00 0.00 H new ATOM 245 N TYR A 156 25.609 -11.077 -17.077 1.00 0.00 N ATOM 246 CA TYR A 156 26.499 -12.110 -17.596 1.00 0.00 C ATOM 247 C TYR A 156 27.708 -11.458 -18.261 1.00 0.00 C ATOM 248 O TYR A 156 28.844 -11.804 -17.954 1.00 0.00 O ATOM 249 CB TYR A 156 25.749 -12.997 -18.597 1.00 0.00 C ATOM 250 CG TYR A 156 26.663 -13.932 -19.364 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.146 -15.103 -18.752 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.040 -13.625 -20.686 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.003 -15.965 -19.460 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.896 -14.487 -21.392 1.00 0.00 C ATOM 255 CZ TYR A 156 28.377 -15.657 -20.780 1.00 0.00 C ATOM 256 OH TYR A 156 29.214 -16.492 -21.467 1.00 0.00 O ATOM 0 H TYR A 156 24.663 -11.105 -17.458 1.00 0.00 H new ATOM 0 HA TYR A 156 26.844 -12.736 -16.773 1.00 0.00 H new ATOM 0 HB2 TYR A 156 25.002 -13.585 -18.064 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.212 -12.364 -19.303 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.859 -15.340 -17.738 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.671 -12.726 -21.157 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.374 -16.864 -18.990 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.184 -14.250 -22.405 1.00 0.00 H new ATOM 0 HH TYR A 156 29.088 -17.412 -21.154 1.00 0.00 H new ATOM 266 N GLN A 157 27.454 -10.516 -19.173 1.00 0.00 N ATOM 267 CA GLN A 157 28.509 -9.830 -19.900 1.00 0.00 C ATOM 268 C GLN A 157 29.489 -9.167 -18.930 1.00 0.00 C ATOM 269 O GLN A 157 30.703 -9.311 -19.081 1.00 0.00 O ATOM 270 CB GLN A 157 27.869 -8.789 -20.829 1.00 0.00 C ATOM 271 CG GLN A 157 28.942 -8.066 -21.654 1.00 0.00 C ATOM 272 CD GLN A 157 29.660 -9.028 -22.594 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.207 -9.253 -23.716 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.777 -9.594 -22.138 1.00 0.00 N ATOM 0 H GLN A 157 26.513 -10.213 -19.423 1.00 0.00 H new ATOM 0 HA GLN A 157 29.073 -10.549 -20.494 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.158 -9.277 -21.496 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.307 -8.065 -20.239 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.481 -7.265 -22.232 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.665 -7.600 -20.985 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.113 -9.376 -21.200 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.296 -10.245 -22.727 1.00 0.00 H new ATOM 283 N ALA A 158 28.961 -8.437 -17.942 1.00 0.00 N ATOM 284 CA ALA A 158 29.787 -7.737 -16.970 1.00 0.00 C ATOM 285 C ALA A 158 30.570 -8.735 -16.114 1.00 0.00 C ATOM 286 O ALA A 158 31.790 -8.659 -16.040 1.00 0.00 O ATOM 287 CB ALA A 158 28.891 -6.859 -16.095 1.00 0.00 C ATOM 0 H ALA A 158 27.958 -8.319 -17.800 1.00 0.00 H new ATOM 0 HA ALA A 158 30.509 -7.108 -17.491 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.502 -6.331 -15.363 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.368 -6.136 -16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.164 -7.484 -15.577 1.00 0.00 H new ATOM 293 N HIS A 159 29.856 -9.662 -15.469 1.00 0.00 N ATOM 294 CA HIS A 159 30.455 -10.659 -14.588 1.00 0.00 C ATOM 295 C HIS A 159 31.549 -11.450 -15.311 1.00 0.00 C ATOM 296 O HIS A 159 32.563 -11.786 -14.711 1.00 0.00 O ATOM 297 CB HIS A 159 29.355 -11.599 -14.086 1.00 0.00 C ATOM 298 CG HIS A 159 29.827 -12.526 -12.996 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.762 -13.532 -13.211 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.506 -12.624 -11.668 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.940 -14.154 -12.028 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.202 -13.647 -11.045 1.00 0.00 N ATOM 0 H HIS A 159 28.842 -9.739 -15.546 1.00 0.00 H new ATOM 0 HA HIS A 159 30.923 -10.154 -13.743 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.519 -11.006 -13.715 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.980 -12.190 -14.922 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.797 -11.982 -11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.617 -14.984 -11.892 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.159 -13.940 -10.069 1.00 0.00 H new ATOM 310 N LYS A 160 31.341 -11.753 -16.593 1.00 0.00 N ATOM 311 CA LYS A 160 32.306 -12.517 -17.372 1.00 0.00 C ATOM 312 C LYS A 160 33.658 -11.792 -17.426 1.00 0.00 C ATOM 313 O LYS A 160 34.694 -12.437 -17.568 1.00 0.00 O ATOM 314 CB LYS A 160 31.743 -12.733 -18.781 1.00 0.00 C ATOM 315 CG LYS A 160 32.596 -13.750 -19.545 1.00 0.00 C ATOM 316 CD LYS A 160 31.881 -14.127 -20.845 1.00 0.00 C ATOM 317 CE LYS A 160 32.576 -15.326 -21.493 1.00 0.00 C ATOM 318 NZ LYS A 160 31.822 -15.797 -22.670 1.00 0.00 N ATOM 0 H LYS A 160 30.508 -11.478 -17.113 1.00 0.00 H new ATOM 0 HA LYS A 160 32.474 -13.484 -16.898 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.714 -13.086 -18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.723 -11.786 -19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.577 -13.329 -19.764 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.759 -14.638 -18.934 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.838 -14.368 -20.640 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.884 -13.280 -21.531 1.00 0.00 H new ATOM 0 HE2 LYS A 160 33.587 -15.048 -21.791 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.668 -16.134 -20.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.312 -16.611 -23.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.865 -16.082 -22.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.756 -15.030 -23.370 1.00 0.00 H new ATOM 332 N ARG A 161 33.642 -10.454 -17.319 1.00 0.00 N ATOM 333 CA ARG A 161 34.860 -9.651 -17.393 1.00 0.00 C ATOM 334 C ARG A 161 35.311 -9.193 -15.996 1.00 0.00 C ATOM 335 O ARG A 161 36.506 -9.013 -15.766 1.00 0.00 O ATOM 336 CB ARG A 161 34.590 -8.433 -18.293 1.00 0.00 C ATOM 337 CG ARG A 161 35.696 -8.285 -19.351 1.00 0.00 C ATOM 338 CD ARG A 161 37.063 -8.044 -18.688 1.00 0.00 C ATOM 339 NE ARG A 161 36.998 -6.978 -17.677 1.00 0.00 N ATOM 340 CZ ARG A 161 36.966 -5.667 -17.981 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.956 -5.269 -19.261 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.942 -4.756 -17.000 1.00 0.00 N ATOM 0 H ARG A 161 32.791 -9.909 -17.180 1.00 0.00 H new ATOM 0 HA ARG A 161 35.663 -10.257 -17.813 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.623 -8.544 -18.783 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.538 -7.530 -17.685 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.739 -9.184 -19.966 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.459 -7.455 -20.017 1.00 0.00 H new ATOM 0 HD2 ARG A 161 37.409 -8.967 -18.222 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.795 -7.778 -19.450 1.00 0.00 H new ATOM 0 HE ARG A 161 36.976 -7.246 -16.693 1.00 0.00 H new ATOM 0 HH11 ARG A 161 36.973 -5.961 -20.010 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.932 -4.274 -19.486 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.948 -5.056 -16.025 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.918 -3.762 -17.228 1.00 0.00 H new ATOM 356 N LEU A 162 34.359 -8.987 -15.074 1.00 0.00 N ATOM 357 CA LEU A 162 34.661 -8.486 -13.735 1.00 0.00 C ATOM 358 C LEU A 162 34.667 -9.623 -12.713 1.00 0.00 C ATOM 359 O LEU A 162 35.666 -9.835 -12.028 1.00 0.00 O ATOM 360 CB LEU A 162 33.616 -7.426 -13.343 1.00 0.00 C ATOM 361 CG LEU A 162 33.588 -6.281 -14.369 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.435 -5.335 -14.029 1.00 0.00 C ATOM 363 CD2 LEU A 162 34.909 -5.508 -14.332 1.00 0.00 C ATOM 0 H LEU A 162 33.368 -9.163 -15.238 1.00 0.00 H new ATOM 0 HA LEU A 162 35.654 -8.038 -13.743 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.630 -7.887 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.847 -7.029 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 162 33.449 -6.695 -15.368 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.408 -4.520 -14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.493 -5.882 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.581 -4.928 -13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 162 34.878 -4.700 -15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.059 -5.091 -13.336 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.732 -6.182 -14.571 1.00 0.00 H new ATOM 375 N GLY A 163 33.543 -10.338 -12.606 1.00 0.00 N ATOM 376 CA GLY A 163 33.380 -11.419 -11.643 1.00 0.00 C ATOM 377 C GLY A 163 32.245 -11.066 -10.691 1.00 0.00 C ATOM 378 O GLY A 163 31.314 -10.361 -11.077 1.00 0.00 O ATOM 0 H GLY A 163 32.721 -10.179 -13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.162 -12.354 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.305 -11.571 -11.087 1.00 0.00 H new ATOM 382 N ASN A 164 32.321 -11.540 -9.439 1.00 0.00 N ATOM 383 CA ASN A 164 31.296 -11.246 -8.438 1.00 0.00 C ATOM 384 C ASN A 164 31.523 -9.849 -7.853 1.00 0.00 C ATOM 385 O ASN A 164 31.272 -9.624 -6.670 1.00 0.00 O ATOM 386 CB ASN A 164 31.332 -12.300 -7.322 1.00 0.00 C ATOM 387 CG ASN A 164 31.251 -13.716 -7.886 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.162 -14.249 -8.075 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.408 -14.328 -8.149 1.00 0.00 N ATOM 0 H ASN A 164 33.083 -12.128 -9.100 1.00 0.00 H new ATOM 0 HA ASN A 164 30.316 -11.274 -8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.250 -12.189 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.502 -12.133 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.410 -15.277 -8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.290 -13.846 -7.976 1.00 0.00 H new ATOM 396 N ARG A 165 31.998 -8.910 -8.682 1.00 0.00 N ATOM 397 CA ARG A 165 32.259 -7.552 -8.244 1.00 0.00 C ATOM 398 C ARG A 165 30.960 -6.760 -8.275 1.00 0.00 C ATOM 399 O ARG A 165 30.821 -5.813 -9.051 1.00 0.00 O ATOM 400 CB ARG A 165 33.313 -6.914 -9.156 1.00 0.00 C ATOM 401 CG ARG A 165 34.684 -7.543 -8.883 1.00 0.00 C ATOM 402 CD ARG A 165 35.724 -6.983 -9.862 1.00 0.00 C ATOM 403 NE ARG A 165 35.689 -5.513 -9.906 1.00 0.00 N ATOM 404 CZ ARG A 165 36.211 -4.728 -8.947 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.797 -5.268 -7.870 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.140 -3.401 -9.075 1.00 0.00 N ATOM 0 H ARG A 165 32.208 -9.078 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 165 32.644 -7.553 -7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.038 -7.058 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.355 -5.839 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.990 -7.336 -7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.623 -8.626 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.719 -7.315 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.538 -7.382 -10.859 1.00 0.00 H new ATOM 0 HE ARG A 165 35.245 -5.065 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.850 -6.282 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.190 -4.665 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 165 35.693 -2.991 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 165 36.533 -2.797 -8.353 1.00 0.00 H new ATOM 420 N TRP A 166 30.004 -7.147 -7.425 1.00 0.00 N ATOM 421 CA TRP A 166 28.726 -6.463 -7.353 1.00 0.00 C ATOM 422 C TRP A 166 28.950 -5.012 -6.955 1.00 0.00 C ATOM 423 O TRP A 166 28.187 -4.155 -7.337 1.00 0.00 O ATOM 424 CB TRP A 166 27.806 -7.148 -6.347 1.00 0.00 C ATOM 425 CG TRP A 166 27.922 -8.631 -6.287 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.313 -9.319 -5.214 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.653 -9.631 -7.315 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.317 -10.669 -5.463 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.911 -10.925 -6.760 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.217 -9.588 -8.659 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.745 -12.102 -7.493 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.048 -10.776 -9.404 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.313 -12.028 -8.820 1.00 0.00 C ATOM 0 H TRP A 166 30.099 -7.932 -6.780 1.00 0.00 H new ATOM 0 HA TRP A 166 28.249 -6.501 -8.332 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.013 -6.743 -5.356 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.775 -6.890 -6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.591 -8.872 -4.271 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.583 -11.384 -4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.010 -8.634 -9.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.949 -13.060 -7.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.713 -10.723 -10.429 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.183 -12.932 -9.397 1.00 0.00 H new ATOM 444 N ALA A 167 30.007 -4.738 -6.186 1.00 0.00 N ATOM 445 CA ALA A 167 30.317 -3.378 -5.776 1.00 0.00 C ATOM 446 C ALA A 167 30.495 -2.487 -7.012 1.00 0.00 C ATOM 447 O ALA A 167 30.199 -1.297 -6.962 1.00 0.00 O ATOM 448 CB ALA A 167 31.588 -3.385 -4.927 1.00 0.00 C ATOM 0 H ALA A 167 30.658 -5.443 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 167 29.496 -2.977 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.824 -2.367 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.433 -4.006 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.415 -3.787 -5.513 1.00 0.00 H new ATOM 454 N GLU A 168 30.980 -3.071 -8.121 1.00 0.00 N ATOM 455 CA GLU A 168 31.201 -2.337 -9.358 1.00 0.00 C ATOM 456 C GLU A 168 29.926 -2.343 -10.207 1.00 0.00 C ATOM 457 O GLU A 168 29.448 -1.287 -10.616 1.00 0.00 O ATOM 458 CB GLU A 168 32.368 -2.981 -10.115 1.00 0.00 C ATOM 459 CG GLU A 168 32.798 -2.079 -11.275 1.00 0.00 C ATOM 460 CD GLU A 168 33.953 -2.700 -12.052 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.800 -3.345 -11.394 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.969 -2.520 -13.286 1.00 0.00 O ATOM 0 H GLU A 168 31.226 -4.060 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 168 31.450 -1.299 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.207 -3.142 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.071 -3.959 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 168 31.953 -1.913 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.097 -1.104 -10.890 1.00 0.00 H new ATOM 469 N ILE A 169 29.377 -3.536 -10.473 1.00 0.00 N ATOM 470 CA ILE A 169 28.166 -3.674 -11.281 1.00 0.00 C ATOM 471 C ILE A 169 27.030 -2.842 -10.668 1.00 0.00 C ATOM 472 O ILE A 169 26.307 -2.150 -11.382 1.00 0.00 O ATOM 473 CB ILE A 169 27.779 -5.162 -11.371 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.906 -5.950 -12.067 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.478 -5.311 -12.174 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.722 -7.453 -11.837 1.00 0.00 C ATOM 0 H ILE A 169 29.757 -4.421 -10.137 1.00 0.00 H new ATOM 0 HA ILE A 169 28.350 -3.302 -12.289 1.00 0.00 H new ATOM 0 HB ILE A 169 27.630 -5.555 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.903 -5.735 -13.136 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.874 -5.632 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.207 -6.365 -12.236 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.679 -4.760 -11.678 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.623 -4.914 -13.179 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.525 -7.998 -12.334 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.748 -7.663 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.762 -7.769 -12.245 1.00 0.00 H new ATOM 488 N ALA A 170 26.884 -2.918 -9.343 1.00 0.00 N ATOM 489 CA ALA A 170 25.849 -2.192 -8.619 1.00 0.00 C ATOM 490 C ALA A 170 26.052 -0.680 -8.765 1.00 0.00 C ATOM 491 O ALA A 170 25.082 0.067 -8.825 1.00 0.00 O ATOM 492 CB ALA A 170 25.876 -2.609 -7.141 1.00 0.00 C ATOM 0 H ALA A 170 27.483 -3.487 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 170 24.873 -2.438 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.103 -2.068 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.693 -3.681 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.852 -2.375 -6.715 1.00 0.00 H new ATOM 498 N LYS A 171 27.312 -0.224 -8.827 1.00 0.00 N ATOM 499 CA LYS A 171 27.601 1.195 -8.994 1.00 0.00 C ATOM 500 C LYS A 171 27.227 1.625 -10.412 1.00 0.00 C ATOM 501 O LYS A 171 26.676 2.707 -10.606 1.00 0.00 O ATOM 502 CB LYS A 171 29.085 1.467 -8.714 1.00 0.00 C ATOM 503 CG LYS A 171 29.330 1.536 -7.202 1.00 0.00 C ATOM 504 CD LYS A 171 28.980 2.934 -6.678 1.00 0.00 C ATOM 505 CE LYS A 171 29.246 2.998 -5.172 1.00 0.00 C ATOM 506 NZ LYS A 171 28.923 4.332 -4.634 1.00 0.00 N ATOM 0 H LYS A 171 28.138 -0.819 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 171 27.011 1.774 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.697 0.680 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.386 2.404 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.725 0.786 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.373 1.307 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.575 3.687 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.933 3.159 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 171 28.649 2.242 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.292 2.766 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.112 4.349 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.510 5.048 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 27.918 4.541 -4.804 1.00 0.00 H new ATOM 520 N LEU A 172 27.521 0.771 -11.402 1.00 0.00 N ATOM 521 CA LEU A 172 27.189 1.054 -12.793 1.00 0.00 C ATOM 522 C LEU A 172 25.668 1.072 -12.968 1.00 0.00 C ATOM 523 O LEU A 172 25.148 1.845 -13.771 1.00 0.00 O ATOM 524 CB LEU A 172 27.827 -0.008 -13.700 1.00 0.00 C ATOM 525 CG LEU A 172 29.355 0.163 -13.731 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.002 -1.129 -14.237 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.736 1.317 -14.666 1.00 0.00 C ATOM 0 H LEU A 172 27.990 -0.123 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 172 27.581 2.032 -13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.573 -1.004 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.424 0.077 -14.709 1.00 0.00 H new ATOM 0 HG LEU A 172 29.708 0.385 -12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.085 -1.009 -14.259 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.742 -1.951 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.640 -1.348 -15.242 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.820 1.430 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.379 1.102 -15.673 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.280 2.240 -14.309 1.00 0.00 H new ATOM 539 N LEU A 173 24.960 0.219 -12.207 1.00 0.00 N ATOM 540 CA LEU A 173 23.503 0.140 -12.249 1.00 0.00 C ATOM 541 C LEU A 173 22.945 0.425 -10.848 1.00 0.00 C ATOM 542 O LEU A 173 22.628 -0.509 -10.119 1.00 0.00 O ATOM 543 CB LEU A 173 23.083 -1.265 -12.715 1.00 0.00 C ATOM 544 CG LEU A 173 23.595 -1.546 -14.138 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.382 -3.026 -14.466 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.833 -0.688 -15.154 1.00 0.00 C ATOM 0 H LEU A 173 25.389 -0.431 -11.548 1.00 0.00 H new ATOM 0 HA LEU A 173 23.107 0.877 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.477 -2.014 -12.028 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.997 -1.351 -12.691 1.00 0.00 H new ATOM 0 HG LEU A 173 24.656 -1.300 -14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.743 -3.231 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.931 -3.640 -13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.320 -3.263 -14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.205 -0.896 -16.157 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.770 -0.924 -15.105 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.982 0.367 -14.924 1.00 0.00 H new ATOM 558 N PRO A 174 22.826 1.718 -10.464 1.00 0.00 N ATOM 559 CA PRO A 174 22.350 2.110 -9.145 1.00 0.00 C ATOM 560 C PRO A 174 20.988 1.492 -8.819 1.00 0.00 C ATOM 561 O PRO A 174 20.718 1.171 -7.663 1.00 0.00 O ATOM 562 CB PRO A 174 22.277 3.640 -9.164 1.00 0.00 C ATOM 563 CG PRO A 174 22.870 4.100 -10.501 1.00 0.00 C ATOM 564 CD PRO A 174 23.167 2.840 -11.314 1.00 0.00 C ATOM 0 HA PRO A 174 23.023 1.751 -8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.246 3.978 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.835 4.063 -8.329 1.00 0.00 H new ATOM 0 HG2 PRO A 174 22.170 4.746 -11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.779 4.679 -10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.582 2.823 -12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 174 24.217 2.803 -11.604 1.00 0.00 H new ATOM 572 N GLY A 175 20.130 1.329 -9.835 1.00 0.00 N ATOM 573 CA GLY A 175 18.805 0.753 -9.646 1.00 0.00 C ATOM 574 C GLY A 175 18.899 -0.665 -9.073 1.00 0.00 C ATOM 575 O GLY A 175 17.961 -1.132 -8.426 1.00 0.00 O ATOM 0 H GLY A 175 20.338 1.592 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.223 1.383 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.275 0.730 -10.598 1.00 0.00 H new ATOM 579 N ARG A 176 20.029 -1.346 -9.316 1.00 0.00 N ATOM 580 CA ARG A 176 20.247 -2.704 -8.841 1.00 0.00 C ATOM 581 C ARG A 176 21.287 -2.690 -7.718 1.00 0.00 C ATOM 582 O ARG A 176 22.451 -2.378 -7.955 1.00 0.00 O ATOM 583 CB ARG A 176 20.736 -3.575 -10.006 1.00 0.00 C ATOM 584 CG ARG A 176 19.829 -3.414 -11.236 1.00 0.00 C ATOM 585 CD ARG A 176 18.388 -3.808 -10.898 1.00 0.00 C ATOM 586 NE ARG A 176 17.650 -4.155 -12.119 1.00 0.00 N ATOM 587 CZ ARG A 176 16.324 -4.357 -12.152 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.587 -4.211 -11.044 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.743 -4.706 -13.302 1.00 0.00 N ATOM 0 H ARG A 176 20.811 -0.964 -9.847 1.00 0.00 H new ATOM 0 HA ARG A 176 19.315 -3.116 -8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.758 -3.300 -10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.755 -4.621 -9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.858 -2.381 -11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.200 -4.035 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.388 -4.656 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.890 -2.984 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 176 18.174 -4.248 -12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.033 -3.944 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.579 -4.366 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.306 -4.817 -14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.736 -4.862 -13.338 1.00 0.00 H new ATOM 603 N THR A 177 20.870 -3.028 -6.493 1.00 0.00 N ATOM 604 CA THR A 177 21.777 -3.043 -5.353 1.00 0.00 C ATOM 605 C THR A 177 22.703 -4.257 -5.435 1.00 0.00 C ATOM 606 O THR A 177 22.385 -5.245 -6.099 1.00 0.00 O ATOM 607 CB THR A 177 20.969 -3.071 -4.051 1.00 0.00 C ATOM 608 OG1 THR A 177 20.180 -4.241 -4.010 1.00 0.00 O ATOM 609 CG2 THR A 177 20.063 -1.840 -3.969 1.00 0.00 C ATOM 0 H THR A 177 19.910 -3.294 -6.271 1.00 0.00 H new ATOM 0 HA THR A 177 22.389 -2.141 -5.368 1.00 0.00 H new ATOM 0 HB THR A 177 21.657 -3.064 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.653 -4.251 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.493 -1.869 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.673 -0.937 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.377 -1.836 -4.816 1.00 0.00 H new ATOM 617 N ASP A 178 23.851 -4.180 -4.749 1.00 0.00 N ATOM 618 CA ASP A 178 24.822 -5.263 -4.725 1.00 0.00 C ATOM 619 C ASP A 178 24.156 -6.561 -4.262 1.00 0.00 C ATOM 620 O ASP A 178 24.336 -7.609 -4.880 1.00 0.00 O ATOM 621 CB ASP A 178 25.986 -4.877 -3.795 1.00 0.00 C ATOM 622 CG ASP A 178 25.552 -4.815 -2.329 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.503 -4.179 -2.065 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.273 -5.409 -1.501 1.00 0.00 O ATOM 0 H ASP A 178 24.125 -3.365 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 178 25.213 -5.429 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.793 -5.602 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.385 -3.908 -4.096 1.00 0.00 H new ATOM 629 N ASN A 179 23.386 -6.479 -3.175 1.00 0.00 N ATOM 630 CA ASN A 179 22.699 -7.631 -2.615 1.00 0.00 C ATOM 631 C ASN A 179 21.677 -8.181 -3.610 1.00 0.00 C ATOM 632 O ASN A 179 21.589 -9.393 -3.792 1.00 0.00 O ATOM 633 CB ASN A 179 22.030 -7.241 -1.287 1.00 0.00 C ATOM 634 CG ASN A 179 21.194 -5.968 -1.420 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.004 -6.030 -1.716 1.00 0.00 O ATOM 636 ND2 ASN A 179 21.818 -4.810 -1.196 1.00 0.00 N ATOM 0 H ASN A 179 23.225 -5.611 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 179 23.424 -8.420 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.394 -8.059 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.795 -7.094 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.305 -3.932 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.808 -4.803 -0.952 1.00 0.00 H new ATOM 643 N ALA A 180 20.904 -7.298 -4.258 1.00 0.00 N ATOM 644 CA ALA A 180 19.897 -7.724 -5.219 1.00 0.00 C ATOM 645 C ALA A 180 20.549 -8.525 -6.345 1.00 0.00 C ATOM 646 O ALA A 180 20.078 -9.607 -6.684 1.00 0.00 O ATOM 647 CB ALA A 180 19.165 -6.504 -5.780 1.00 0.00 C ATOM 0 H ALA A 180 20.963 -6.288 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 180 19.172 -8.365 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.413 -6.830 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.680 -5.965 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.880 -5.847 -6.276 1.00 0.00 H new ATOM 653 N ILE A 181 21.633 -7.991 -6.924 1.00 0.00 N ATOM 654 CA ILE A 181 22.326 -8.658 -8.020 1.00 0.00 C ATOM 655 C ILE A 181 22.919 -9.982 -7.534 1.00 0.00 C ATOM 656 O ILE A 181 22.810 -10.994 -8.218 1.00 0.00 O ATOM 657 CB ILE A 181 23.436 -7.752 -8.579 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.849 -6.421 -9.072 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.113 -8.463 -9.756 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.934 -5.344 -9.053 1.00 0.00 C ATOM 0 H ILE A 181 22.044 -7.099 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 181 21.610 -8.862 -8.816 1.00 0.00 H new ATOM 0 HB ILE A 181 24.158 -7.549 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.455 -6.537 -10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.015 -6.122 -8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.902 -7.828 -10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.544 -9.404 -9.414 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.375 -8.663 -10.533 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.516 -4.400 -9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.307 -5.221 -8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.754 -5.642 -9.706 1.00 0.00 H new ATOM 672 N LYS A 182 23.553 -9.968 -6.355 1.00 0.00 N ATOM 673 CA LYS A 182 24.178 -11.158 -5.794 1.00 0.00 C ATOM 674 C LYS A 182 23.151 -12.284 -5.657 1.00 0.00 C ATOM 675 O LYS A 182 23.347 -13.372 -6.198 1.00 0.00 O ATOM 676 CB LYS A 182 24.792 -10.803 -4.434 1.00 0.00 C ATOM 677 CG LYS A 182 25.519 -12.017 -3.851 1.00 0.00 C ATOM 678 CD LYS A 182 26.198 -11.622 -2.537 1.00 0.00 C ATOM 679 CE LYS A 182 26.890 -12.843 -1.926 1.00 0.00 C ATOM 680 NZ LYS A 182 27.542 -12.498 -0.650 1.00 0.00 N ATOM 0 H LYS A 182 23.643 -9.136 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 182 24.966 -11.510 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.488 -9.972 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.011 -10.474 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.813 -12.829 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.261 -12.385 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.926 -10.831 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.460 -11.224 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.160 -13.635 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.632 -13.232 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.004 -13.343 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.255 -11.758 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.828 -12.149 0.021 1.00 0.00 H new ATOM 694 N ASN A 183 22.058 -12.024 -4.930 1.00 0.00 N ATOM 695 CA ASN A 183 21.016 -13.020 -4.715 1.00 0.00 C ATOM 696 C ASN A 183 20.419 -13.458 -6.052 1.00 0.00 C ATOM 697 O ASN A 183 20.230 -14.649 -6.283 1.00 0.00 O ATOM 698 CB ASN A 183 19.932 -12.438 -3.803 1.00 0.00 C ATOM 699 CG ASN A 183 20.388 -12.436 -2.346 1.00 0.00 C ATOM 700 OD1 ASN A 183 20.213 -13.568 -1.661 1.00 0.00 O flip ATOM 701 ND2 ASN A 183 20.888 -11.432 -1.849 1.00 0.00 N flip ATOM 0 H ASN A 183 21.877 -11.126 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 183 21.449 -13.897 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.696 -11.421 -4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.017 -13.022 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 183 21.003 -10.588 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.189 -11.441 -0.874 1.00 0.00 H new ATOM 708 N HIS A 184 20.123 -12.494 -6.929 1.00 0.00 N ATOM 709 CA HIS A 184 19.544 -12.779 -8.235 1.00 0.00 C ATOM 710 C HIS A 184 20.432 -13.749 -9.014 1.00 0.00 C ATOM 711 O HIS A 184 19.947 -14.747 -9.536 1.00 0.00 O ATOM 712 CB HIS A 184 19.380 -11.464 -8.996 1.00 0.00 C ATOM 713 CG HIS A 184 19.045 -11.656 -10.452 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.114 -12.587 -10.900 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.506 -11.045 -11.587 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.074 -12.477 -12.244 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.903 -11.550 -12.726 1.00 0.00 N ATOM 0 H HIS A 184 20.279 -11.502 -6.751 1.00 0.00 H new ATOM 0 HA HIS A 184 18.569 -13.251 -8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.594 -10.875 -8.524 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.302 -10.888 -8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.251 -10.263 -11.593 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.433 -13.081 -12.869 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.056 -11.279 -13.697 1.00 0.00 H new ATOM 725 N TRP A 185 21.730 -13.450 -9.093 1.00 0.00 N ATOM 726 CA TRP A 185 22.672 -14.285 -9.817 1.00 0.00 C ATOM 727 C TRP A 185 22.719 -15.682 -9.199 1.00 0.00 C ATOM 728 O TRP A 185 22.619 -16.675 -9.906 1.00 0.00 O ATOM 729 CB TRP A 185 24.056 -13.626 -9.782 1.00 0.00 C ATOM 730 CG TRP A 185 25.155 -14.418 -10.430 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.804 -15.450 -9.875 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.763 -14.250 -11.743 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.766 -15.946 -10.722 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.788 -15.236 -11.901 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.564 -13.366 -12.818 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.563 -15.335 -13.057 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.347 -13.457 -13.986 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.343 -14.440 -14.107 1.00 0.00 C ATOM 0 H TRP A 185 22.149 -12.628 -8.659 1.00 0.00 H new ATOM 0 HA TRP A 185 22.353 -14.387 -10.854 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.991 -12.655 -10.273 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.327 -13.441 -8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.598 -15.842 -8.890 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.379 -16.732 -10.507 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.800 -12.606 -12.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.325 -16.096 -13.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 26.180 -12.764 -14.797 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.936 -14.504 -15.007 1.00 0.00 H new ATOM 749 N ASN A 186 22.882 -15.752 -7.876 1.00 0.00 N ATOM 750 CA ASN A 186 22.989 -17.023 -7.171 1.00 0.00 C ATOM 751 C ASN A 186 21.742 -17.889 -7.386 1.00 0.00 C ATOM 752 O ASN A 186 21.857 -19.096 -7.583 1.00 0.00 O ATOM 753 CB ASN A 186 23.192 -16.756 -5.675 1.00 0.00 C ATOM 754 CG ASN A 186 24.543 -16.097 -5.400 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.390 -16.004 -6.284 1.00 0.00 O ATOM 756 ND2 ASN A 186 24.744 -15.640 -4.164 1.00 0.00 N ATOM 0 H ASN A 186 22.943 -14.933 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 186 23.844 -17.569 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.392 -16.114 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.126 -17.695 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 186 25.629 -15.193 -3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.013 -15.738 -3.459 1.00 0.00 H new ATOM 763 N SER A 187 20.556 -17.279 -7.331 1.00 0.00 N ATOM 764 CA SER A 187 19.303 -18.013 -7.450 1.00 0.00 C ATOM 765 C SER A 187 18.970 -18.340 -8.909 1.00 0.00 C ATOM 766 O SER A 187 18.771 -19.503 -9.250 1.00 0.00 O ATOM 767 CB SER A 187 18.181 -17.184 -6.822 1.00 0.00 C ATOM 768 OG SER A 187 18.449 -16.988 -5.449 1.00 0.00 O ATOM 0 H SER A 187 20.441 -16.273 -7.204 1.00 0.00 H new ATOM 0 HA SER A 187 19.407 -18.962 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.099 -16.222 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.225 -17.693 -6.947 1.00 0.00 H new ATOM 0 HG SER A 187 19.072 -16.240 -5.341 1.00 0.00 H new ATOM 774 N THR A 188 18.885 -17.314 -9.761 1.00 0.00 N ATOM 775 CA THR A 188 18.479 -17.491 -11.150 1.00 0.00 C ATOM 776 C THR A 188 19.631 -18.001 -12.019 1.00 0.00 C ATOM 777 O THR A 188 19.481 -19.009 -12.707 1.00 0.00 O ATOM 778 CB THR A 188 17.952 -16.153 -11.691 1.00 0.00 C ATOM 779 OG1 THR A 188 16.987 -15.629 -10.801 1.00 0.00 O ATOM 780 CG2 THR A 188 17.311 -16.365 -13.065 1.00 0.00 C ATOM 0 H THR A 188 19.094 -16.349 -9.507 1.00 0.00 H new ATOM 0 HA THR A 188 17.692 -18.244 -11.188 1.00 0.00 H new ATOM 0 HB THR A 188 18.783 -15.453 -11.783 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.154 -14.673 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.939 -15.413 -13.444 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.054 -16.765 -13.755 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.483 -17.068 -12.976 1.00 0.00 H new ATOM 788 N MET A 189 20.767 -17.294 -12.010 1.00 0.00 N ATOM 789 CA MET A 189 21.894 -17.635 -12.870 1.00 0.00 C ATOM 790 C MET A 189 22.802 -18.674 -12.193 1.00 0.00 C ATOM 791 O MET A 189 22.416 -19.835 -12.070 1.00 0.00 O ATOM 792 CB MET A 189 22.657 -16.351 -13.228 1.00 0.00 C ATOM 793 CG MET A 189 21.715 -15.376 -13.953 1.00 0.00 C ATOM 794 SD MET A 189 22.461 -13.772 -14.338 1.00 0.00 S ATOM 795 CE MET A 189 23.704 -14.311 -15.534 1.00 0.00 C ATOM 0 H MET A 189 20.925 -16.482 -11.414 1.00 0.00 H new ATOM 0 HA MET A 189 21.530 -18.090 -13.791 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.052 -15.887 -12.324 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.510 -16.588 -13.863 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.375 -15.838 -14.880 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.832 -15.214 -13.335 1.00 0.00 H new ATOM 0 HE1 MET A 189 24.257 -13.446 -15.899 1.00 0.00 H new ATOM 0 HE2 MET A 189 24.393 -15.006 -15.054 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.213 -14.807 -16.371 1.00 0.00 H new ATOM 805 N ARG A 190 24.012 -18.255 -11.766 1.00 0.00 N ATOM 806 CA ARG A 190 24.982 -19.147 -11.130 1.00 0.00 C ATOM 807 C ARG A 190 25.561 -20.111 -12.176 1.00 0.00 C ATOM 808 O ARG A 190 25.081 -20.157 -13.306 1.00 0.00 O ATOM 809 CB ARG A 190 24.311 -19.905 -9.967 1.00 0.00 C ATOM 810 CG ARG A 190 25.361 -20.338 -8.935 1.00 0.00 C ATOM 811 CD ARG A 190 24.666 -20.746 -7.634 1.00 0.00 C ATOM 812 NE ARG A 190 25.618 -21.352 -6.692 1.00 0.00 N ATOM 813 CZ ARG A 190 26.028 -22.632 -6.774 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.588 -23.424 -7.763 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.880 -23.118 -5.861 1.00 0.00 N ATOM 0 H ARG A 190 24.335 -17.292 -11.856 1.00 0.00 H new ATOM 0 HA ARG A 190 25.806 -18.565 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.565 -19.268 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.785 -20.780 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.945 -21.172 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.058 -19.521 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.203 -19.872 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.866 -21.453 -7.852 1.00 0.00 H new ATOM 0 HE ARG A 190 25.987 -20.773 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 190 24.939 -23.058 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.903 -24.393 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.216 -22.519 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.193 -24.087 -5.920 1.00 0.00 H new