USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 32 GLN : amide:sc= 0.816 K(o=1.8,f=-6.7!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -135:sc= 1.01 (180deg=-0.353) USER MOD Single : A 10 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 74:sc= 1.26 USER MOD Single : A 39 SER OG : rot 73:sc= 1.39 USER MOD Single : A 42 SER OG : rot 140:sc= 0.099 USER MOD Single : A 43 SER OG : rot 115:sc= 0.213 USER MOD Single : A 46 GLN : amide:sc= -0.622 K(o=-0.62,f=-1.2) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -0.239 (180deg=-1.12!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 1.17 (180deg=-0.826!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.257 11.531 5.677 1.00 0.00 N ATOM 118 CA ARG A 9 7.480 11.110 5.009 1.00 0.00 C ATOM 119 C ARG A 9 7.457 9.627 4.671 1.00 0.00 C ATOM 120 O ARG A 9 7.650 9.257 3.524 1.00 0.00 O ATOM 121 CB ARG A 9 8.715 11.434 5.853 1.00 0.00 C ATOM 122 CG ARG A 9 10.020 10.966 5.220 1.00 0.00 C ATOM 123 CD ARG A 9 11.212 11.254 6.112 1.00 0.00 C ATOM 124 NE ARG A 9 12.460 10.725 5.547 1.00 0.00 N ATOM 125 CZ ARG A 9 13.663 11.286 5.719 1.00 0.00 C ATOM 126 NH1 ARG A 9 13.786 12.394 6.438 1.00 0.00 N ATOM 127 NH2 ARG A 9 14.739 10.739 5.170 1.00 0.00 N ATOM 0 HA ARG A 9 7.537 11.671 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.764 12.511 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.608 10.970 6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.965 9.896 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.157 11.462 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.306 12.330 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.044 10.815 7.095 1.00 0.00 H new ATOM 0 HE ARG A 9 12.407 9.874 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.962 12.821 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.704 12.819 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.651 9.888 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.654 11.169 5.303 1.00 0.00 H new ATOM 141 N GLN A 10 7.202 8.788 5.668 1.00 0.00 N ATOM 142 CA GLN A 10 7.235 7.334 5.486 1.00 0.00 C ATOM 143 C GLN A 10 6.284 6.890 4.382 1.00 0.00 C ATOM 144 O GLN A 10 6.686 6.191 3.460 1.00 0.00 O ATOM 145 CB GLN A 10 6.904 6.618 6.809 1.00 0.00 C ATOM 146 CG GLN A 10 7.124 5.102 6.794 1.00 0.00 C ATOM 147 CD GLN A 10 5.991 4.313 6.153 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.824 4.702 6.222 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.331 3.200 5.525 1.00 0.00 N ATOM 0 H GLN A 10 6.969 9.087 6.615 1.00 0.00 H new ATOM 0 HA GLN A 10 8.245 7.058 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.513 7.051 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.863 6.817 7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.049 4.886 6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.259 4.756 7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.309 2.912 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.615 2.629 5.075 1.00 0.00 H new ATOM 158 N VAL A 11 5.041 7.310 4.477 1.00 0.00 N ATOM 159 CA VAL A 11 4.022 6.936 3.507 1.00 0.00 C ATOM 160 C VAL A 11 4.355 7.431 2.094 1.00 0.00 C ATOM 161 O VAL A 11 4.276 6.672 1.129 1.00 0.00 O ATOM 162 CB VAL A 11 2.632 7.453 3.943 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.598 7.250 2.848 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.198 6.747 5.215 1.00 0.00 C ATOM 0 H VAL A 11 4.704 7.918 5.224 1.00 0.00 H new ATOM 0 HA VAL A 11 4.001 5.847 3.475 1.00 0.00 H new ATOM 0 HB VAL A 11 2.709 8.524 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.632 7.624 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.904 7.792 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.516 6.188 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.218 7.114 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.143 5.673 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.921 6.946 6.006 1.00 0.00 H new ATOM 174 N CYS A 12 4.748 8.688 1.979 1.00 0.00 N ATOM 175 CA CYS A 12 5.057 9.268 0.674 1.00 0.00 C ATOM 176 C CYS A 12 6.334 8.658 0.094 1.00 0.00 C ATOM 177 O CYS A 12 6.371 8.249 -1.078 1.00 0.00 O ATOM 178 CB CYS A 12 5.199 10.783 0.786 1.00 0.00 C ATOM 179 SG CYS A 12 5.333 11.652 -0.811 1.00 0.00 S ATOM 0 H CYS A 12 4.862 9.327 2.766 1.00 0.00 H new ATOM 0 HA CYS A 12 4.232 9.041 -0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.339 11.176 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.082 11.009 1.383 1.00 0.00 H new ATOM 184 N TRP A 13 7.371 8.583 0.919 1.00 0.00 N ATOM 185 CA TRP A 13 8.638 8.009 0.508 1.00 0.00 C ATOM 186 C TRP A 13 8.450 6.545 0.162 1.00 0.00 C ATOM 187 O TRP A 13 8.969 6.063 -0.841 1.00 0.00 O ATOM 188 CB TRP A 13 9.677 8.170 1.629 1.00 0.00 C ATOM 189 CG TRP A 13 11.022 7.591 1.319 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.042 8.198 0.647 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.500 6.291 1.685 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.118 7.353 0.566 1.00 0.00 N ATOM 193 CE2 TRP A 13 12.812 6.177 1.195 1.00 0.00 C ATOM 194 CE3 TRP A 13 10.941 5.212 2.378 1.00 0.00 C ATOM 195 CZ2 TRP A 13 13.575 5.029 1.376 1.00 0.00 C ATOM 196 CZ3 TRP A 13 11.700 4.075 2.558 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.004 3.990 2.059 1.00 0.00 C ATOM 0 H TRP A 13 7.355 8.916 1.883 1.00 0.00 H new ATOM 0 HA TRP A 13 9.000 8.533 -0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.794 9.231 1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.293 7.698 2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.007 9.197 0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.005 7.567 0.110 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.934 5.268 2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.582 4.960 0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.281 3.236 3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 13 13.572 3.085 2.216 1.00 0.00 H new ATOM 208 N GLY A 14 7.675 5.853 0.989 1.00 0.00 N ATOM 209 CA GLY A 14 7.396 4.456 0.772 1.00 0.00 C ATOM 210 C GLY A 14 6.609 4.223 -0.491 1.00 0.00 C ATOM 211 O GLY A 14 6.816 3.244 -1.168 1.00 0.00 O ATOM 0 H GLY A 14 7.231 6.248 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.334 3.903 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.840 4.062 1.623 1.00 0.00 H new ATOM 215 N ALA A 15 5.693 5.128 -0.800 1.00 0.00 N ATOM 216 CA ALA A 15 4.893 5.043 -2.017 1.00 0.00 C ATOM 217 C ALA A 15 5.790 5.037 -3.245 1.00 0.00 C ATOM 218 O ALA A 15 5.642 4.211 -4.147 1.00 0.00 O ATOM 219 CB ALA A 15 3.934 6.221 -2.089 1.00 0.00 C ATOM 0 H ALA A 15 5.482 5.939 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 15 4.324 4.114 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.340 6.151 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.273 6.205 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.501 7.152 -2.096 1.00 0.00 H new ATOM 225 N ARG A 16 6.731 5.955 -3.256 1.00 0.00 N ATOM 226 CA ARG A 16 7.661 6.089 -4.356 1.00 0.00 C ATOM 227 C ARG A 16 8.673 4.950 -4.336 1.00 0.00 C ATOM 228 O ARG A 16 9.082 4.447 -5.380 1.00 0.00 O ATOM 229 CB ARG A 16 8.363 7.433 -4.259 1.00 0.00 C ATOM 230 CG ARG A 16 9.383 7.692 -5.347 1.00 0.00 C ATOM 231 CD ARG A 16 10.022 9.045 -5.155 1.00 0.00 C ATOM 232 NE ARG A 16 10.629 9.169 -3.832 1.00 0.00 N ATOM 233 CZ ARG A 16 10.509 10.232 -3.036 1.00 0.00 C ATOM 234 NH1 ARG A 16 9.800 11.290 -3.424 1.00 0.00 N ATOM 235 NH2 ARG A 16 11.105 10.235 -1.852 1.00 0.00 N ATOM 0 H ARG A 16 6.873 6.629 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 16 7.117 6.039 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.612 8.223 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.859 7.500 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.148 6.916 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.902 7.645 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.782 9.201 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.272 9.825 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 16 11.186 8.385 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.344 11.291 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.713 12.099 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.652 9.427 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.017 11.045 -1.239 1.00 0.00 H new ATOM 249 N ASP A 17 9.057 4.547 -3.142 1.00 0.00 N ATOM 250 CA ASP A 17 9.994 3.447 -2.953 1.00 0.00 C ATOM 251 C ASP A 17 9.355 2.139 -3.416 1.00 0.00 C ATOM 252 O ASP A 17 10.006 1.292 -4.030 1.00 0.00 O ATOM 253 CB ASP A 17 10.394 3.360 -1.477 1.00 0.00 C ATOM 254 CG ASP A 17 11.471 2.340 -1.211 1.00 0.00 C ATOM 255 OD1 ASP A 17 11.158 1.277 -0.656 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.644 2.607 -1.545 1.00 0.00 O ATOM 0 H ASP A 17 8.731 4.969 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 17 10.890 3.624 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.739 4.338 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.514 3.113 -0.883 1.00 0.00 H new ATOM 261 N GLU A 18 8.066 2.003 -3.135 1.00 0.00 N ATOM 262 CA GLU A 18 7.295 0.842 -3.534 1.00 0.00 C ATOM 263 C GLU A 18 6.998 0.859 -5.027 1.00 0.00 C ATOM 264 O GLU A 18 6.695 -0.175 -5.620 1.00 0.00 O ATOM 265 CB GLU A 18 6.002 0.733 -2.719 1.00 0.00 C ATOM 266 CG GLU A 18 6.207 0.121 -1.337 1.00 0.00 C ATOM 267 CD GLU A 18 4.914 -0.350 -0.705 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.410 -1.414 -1.116 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.410 0.328 0.215 1.00 0.00 O ATOM 0 H GLU A 18 7.527 2.700 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 18 7.899 -0.041 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.567 1.726 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.282 0.130 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.895 -0.721 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.678 0.857 -0.685 1.00 0.00 H new ATOM 276 N TYR A 19 7.064 2.036 -5.631 1.00 0.00 N ATOM 277 CA TYR A 19 6.914 2.148 -7.072 1.00 0.00 C ATOM 278 C TYR A 19 8.072 1.416 -7.753 1.00 0.00 C ATOM 279 O TYR A 19 7.906 0.800 -8.807 1.00 0.00 O ATOM 280 CB TYR A 19 6.876 3.622 -7.500 1.00 0.00 C ATOM 281 CG TYR A 19 6.798 3.830 -8.996 1.00 0.00 C ATOM 282 CD1 TYR A 19 5.615 3.607 -9.688 1.00 0.00 C ATOM 283 CD2 TYR A 19 7.911 4.253 -9.718 1.00 0.00 C ATOM 284 CE1 TYR A 19 5.543 3.797 -11.054 1.00 0.00 C ATOM 285 CE2 TYR A 19 7.846 4.444 -11.083 1.00 0.00 C ATOM 286 CZ TYR A 19 6.659 4.216 -11.746 1.00 0.00 C ATOM 287 OH TYR A 19 6.588 4.408 -13.109 1.00 0.00 O ATOM 0 H TYR A 19 7.219 2.921 -5.149 1.00 0.00 H new ATOM 0 HA TYR A 19 5.971 1.692 -7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.017 4.103 -7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.767 4.122 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.738 3.280 -9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.841 4.435 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.616 3.618 -11.578 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.719 4.770 -11.628 1.00 0.00 H new ATOM 0 HH TYR A 19 7.460 4.705 -13.443 1.00 0.00 H new ATOM 297 N TRP A 20 9.241 1.490 -7.127 1.00 0.00 N ATOM 298 CA TRP A 20 10.426 0.798 -7.607 1.00 0.00 C ATOM 299 C TRP A 20 10.370 -0.666 -7.166 1.00 0.00 C ATOM 300 O TRP A 20 10.430 -1.587 -7.989 1.00 0.00 O ATOM 301 CB TRP A 20 11.690 1.480 -7.056 1.00 0.00 C ATOM 302 CG TRP A 20 12.975 0.877 -7.546 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.690 -0.125 -6.955 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.703 1.245 -8.723 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.808 -0.408 -7.697 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.842 0.421 -8.785 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.501 2.189 -9.733 1.00 0.00 C ATOM 308 CZ2 TRP A 20 15.775 0.511 -9.814 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.429 2.278 -10.751 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.552 1.444 -10.785 1.00 0.00 C ATOM 0 H TRP A 20 9.391 2.030 -6.275 1.00 0.00 H new ATOM 0 HA TRP A 20 10.459 0.840 -8.696 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.669 2.535 -7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.671 1.432 -5.967 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.415 -0.622 -6.037 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.502 -1.121 -7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.636 2.836 -9.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.642 -0.133 -9.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.286 3.005 -11.536 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.258 1.541 -11.597 1.00 0.00 H new ATOM 321 N LYS A 21 10.248 -0.865 -5.864 1.00 0.00 N ATOM 322 CA LYS A 21 10.140 -2.187 -5.276 1.00 0.00 C ATOM 323 C LYS A 21 8.980 -2.222 -4.293 1.00 0.00 C ATOM 324 O LYS A 21 9.084 -1.733 -3.167 1.00 0.00 O ATOM 325 CB LYS A 21 11.450 -2.586 -4.596 1.00 0.00 C ATOM 326 CG LYS A 21 12.466 -3.236 -5.529 1.00 0.00 C ATOM 327 CD LYS A 21 11.992 -4.604 -6.002 1.00 0.00 C ATOM 328 CE LYS A 21 11.840 -5.570 -4.835 1.00 0.00 C ATOM 329 NZ LYS A 21 11.278 -6.873 -5.259 1.00 0.00 N ATOM 0 H LYS A 21 10.221 -0.107 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 21 9.946 -2.911 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.899 -1.699 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.228 -3.276 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.636 -2.590 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.421 -3.338 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.038 -4.502 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.703 -5.009 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.812 -5.730 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.193 -5.125 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.192 -7.499 -4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.339 -6.725 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.908 -7.311 -5.961 1.00 0.00 H new ATOM 343 N CYS A 22 7.880 -2.793 -4.738 1.00 0.00 N ATOM 344 CA CYS A 22 6.641 -2.817 -3.974 1.00 0.00 C ATOM 345 C CYS A 22 6.679 -3.829 -2.834 1.00 0.00 C ATOM 346 O CYS A 22 7.443 -4.798 -2.862 1.00 0.00 O ATOM 347 CB CYS A 22 5.475 -3.132 -4.908 1.00 0.00 C ATOM 348 SG CYS A 22 5.623 -4.761 -5.731 1.00 0.00 S ATOM 0 H CYS A 22 7.816 -3.257 -5.644 1.00 0.00 H new ATOM 0 HA CYS A 22 6.511 -1.832 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.546 -3.104 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.407 -2.354 -5.668 1.00 0.00 H new ATOM 353 N LEU A 23 5.846 -3.573 -1.826 1.00 0.00 N ATOM 354 CA LEU A 23 5.685 -4.443 -0.661 1.00 0.00 C ATOM 355 C LEU A 23 6.987 -4.646 0.109 1.00 0.00 C ATOM 356 O LEU A 23 7.158 -5.654 0.789 1.00 0.00 O ATOM 357 CB LEU A 23 5.078 -5.794 -1.054 1.00 0.00 C ATOM 358 CG LEU A 23 3.862 -6.228 -0.225 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.202 -6.250 1.252 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.677 -5.312 -0.484 1.00 0.00 C ATOM 0 H LEU A 23 5.255 -2.742 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 23 4.993 -3.931 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.786 -5.752 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.849 -6.560 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 23 3.587 -7.237 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.326 -6.560 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.017 -6.952 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.508 -5.253 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.827 -5.639 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.941 -4.290 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.413 -5.349 -1.541 1.00 0.00 H new ATOM 372 N ASP A 24 7.871 -3.671 0.036 1.00 0.00 N ATOM 373 CA ASP A 24 9.139 -3.714 0.771 1.00 0.00 C ATOM 374 C ASP A 24 8.877 -3.703 2.281 1.00 0.00 C ATOM 375 O ASP A 24 9.746 -4.014 3.087 1.00 0.00 O ATOM 376 CB ASP A 24 10.012 -2.527 0.378 1.00 0.00 C ATOM 377 CG ASP A 24 11.408 -2.616 0.948 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.223 -3.390 0.412 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.705 -1.903 1.930 1.00 0.00 O ATOM 0 H ASP A 24 7.742 -2.830 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 24 9.663 -4.635 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.071 -2.469 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.542 -1.606 0.722 1.00 0.00 H new ATOM 384 N GLU A 25 7.663 -3.331 2.629 1.00 0.00 N ATOM 385 CA GLU A 25 7.209 -3.253 4.006 1.00 0.00 C ATOM 386 C GLU A 25 7.283 -4.607 4.723 1.00 0.00 C ATOM 387 O GLU A 25 7.969 -4.744 5.739 1.00 0.00 O ATOM 388 CB GLU A 25 5.774 -2.769 4.013 1.00 0.00 C ATOM 389 CG GLU A 25 5.568 -1.457 3.281 1.00 0.00 C ATOM 390 CD GLU A 25 6.120 -0.267 4.036 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.345 -0.214 4.270 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.324 0.629 4.384 1.00 0.00 O ATOM 0 H GLU A 25 6.948 -3.069 1.950 1.00 0.00 H new ATOM 0 HA GLU A 25 7.865 -2.564 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.141 -3.531 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.444 -2.654 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.046 -1.514 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.502 -1.308 3.107 1.00 0.00 H new ATOM 399 N ASN A 26 6.573 -5.605 4.191 1.00 0.00 N ATOM 400 CA ASN A 26 6.506 -6.917 4.848 1.00 0.00 C ATOM 401 C ASN A 26 6.898 -8.052 3.911 1.00 0.00 C ATOM 402 O ASN A 26 7.358 -9.096 4.363 1.00 0.00 O ATOM 403 CB ASN A 26 5.087 -7.179 5.385 1.00 0.00 C ATOM 404 CG ASN A 26 4.639 -6.154 6.410 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.878 -6.308 7.600 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.970 -5.112 5.950 1.00 0.00 N ATOM 0 H ASN A 26 6.044 -5.535 3.322 1.00 0.00 H new ATOM 0 HA ASN A 26 7.220 -6.891 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.384 -7.181 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.053 -8.172 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.632 -4.398 6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.792 -5.021 4.950 1.00 0.00 H new ATOM 413 N LEU A 27 6.712 -7.839 2.603 1.00 0.00 N ATOM 414 CA LEU A 27 7.013 -8.858 1.576 1.00 0.00 C ATOM 415 C LEU A 27 6.232 -10.159 1.825 1.00 0.00 C ATOM 416 O LEU A 27 6.634 -11.230 1.377 1.00 0.00 O ATOM 417 CB LEU A 27 8.528 -9.163 1.499 1.00 0.00 C ATOM 418 CG LEU A 27 9.448 -8.003 1.079 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.717 -7.070 2.246 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.752 -8.537 0.506 1.00 0.00 C ATOM 0 H LEU A 27 6.351 -6.964 2.223 1.00 0.00 H new ATOM 0 HA LEU A 27 6.696 -8.439 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.853 -9.518 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.674 -9.984 0.797 1.00 0.00 H new ATOM 0 HG LEU A 27 8.939 -7.431 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.370 -6.260 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.775 -6.656 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.200 -7.624 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.390 -7.703 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.262 -9.137 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.540 -9.154 -0.367 1.00 0.00 H new ATOM 432 N GLU A 28 5.105 -10.045 2.523 1.00 0.00 N ATOM 433 CA GLU A 28 4.290 -11.209 2.855 1.00 0.00 C ATOM 434 C GLU A 28 3.437 -11.641 1.660 1.00 0.00 C ATOM 435 O GLU A 28 3.319 -12.826 1.366 1.00 0.00 O ATOM 436 CB GLU A 28 3.409 -10.900 4.069 1.00 0.00 C ATOM 437 CG GLU A 28 2.629 -12.092 4.599 1.00 0.00 C ATOM 438 CD GLU A 28 3.531 -13.234 5.005 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.225 -13.116 6.037 1.00 0.00 O ATOM 440 OE2 GLU A 28 3.554 -14.254 4.299 1.00 0.00 O ATOM 0 H GLU A 28 4.736 -9.159 2.869 1.00 0.00 H new ATOM 0 HA GLU A 28 4.953 -12.037 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.038 -10.508 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.706 -10.111 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.033 -11.781 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.932 -12.436 3.835 1.00 0.00 H new ATOM 447 N ASP A 29 2.845 -10.674 0.976 1.00 0.00 N ATOM 448 CA ASP A 29 2.047 -10.958 -0.207 1.00 0.00 C ATOM 449 C ASP A 29 2.327 -9.920 -1.277 1.00 0.00 C ATOM 450 O ASP A 29 1.692 -8.873 -1.334 1.00 0.00 O ATOM 451 CB ASP A 29 0.558 -10.993 0.125 1.00 0.00 C ATOM 452 CG ASP A 29 -0.289 -11.492 -1.035 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.538 -12.720 -1.109 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.715 -10.669 -1.869 1.00 0.00 O ATOM 0 H ASP A 29 2.902 -9.685 1.220 1.00 0.00 H new ATOM 0 HA ASP A 29 2.326 -11.943 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.398 -11.636 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.229 -9.993 0.406 1.00 0.00 H new ATOM 459 N ALA A 30 3.308 -10.199 -2.086 1.00 0.00 N ATOM 460 CA ALA A 30 3.723 -9.285 -3.134 1.00 0.00 C ATOM 461 C ALA A 30 2.684 -9.165 -4.252 1.00 0.00 C ATOM 462 O ALA A 30 2.702 -8.209 -5.013 1.00 0.00 O ATOM 463 CB ALA A 30 5.075 -9.697 -3.694 1.00 0.00 C ATOM 0 H ALA A 30 3.848 -11.063 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 30 3.813 -8.297 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.371 -9.001 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.818 -9.683 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.006 -10.703 -4.108 1.00 0.00 H new ATOM 469 N SER A 31 1.779 -10.124 -4.343 1.00 0.00 N ATOM 470 CA SER A 31 0.752 -10.096 -5.379 1.00 0.00 C ATOM 471 C SER A 31 -0.158 -8.874 -5.216 1.00 0.00 C ATOM 472 O SER A 31 -0.605 -8.276 -6.200 1.00 0.00 O ATOM 473 CB SER A 31 -0.080 -11.381 -5.344 1.00 0.00 C ATOM 474 OG SER A 31 -1.056 -11.401 -6.382 1.00 0.00 O ATOM 0 H SER A 31 1.731 -10.929 -3.718 1.00 0.00 H new ATOM 0 HA SER A 31 1.251 -10.026 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.578 -12.244 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.575 -11.469 -4.377 1.00 0.00 H new ATOM 0 HG SER A 31 -1.569 -12.235 -6.333 1.00 0.00 H new ATOM 480 N GLN A 32 -0.410 -8.493 -3.975 1.00 0.00 N ATOM 481 CA GLN A 32 -1.284 -7.372 -3.690 1.00 0.00 C ATOM 482 C GLN A 32 -0.503 -6.054 -3.721 1.00 0.00 C ATOM 483 O GLN A 32 -1.088 -4.972 -3.608 1.00 0.00 O ATOM 484 CB GLN A 32 -1.941 -7.557 -2.317 1.00 0.00 C ATOM 485 CG GLN A 32 -3.152 -6.667 -2.079 1.00 0.00 C ATOM 486 CD GLN A 32 -4.344 -7.071 -2.920 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.515 -6.609 -4.043 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.178 -7.932 -2.380 1.00 0.00 N ATOM 0 H GLN A 32 -0.020 -8.946 -3.148 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.057 -7.334 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.243 -8.599 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.200 -7.358 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.426 -6.706 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.888 -5.633 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.001 -8.294 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.002 -8.238 -2.898 1.00 0.00 H new ATOM 497 N CYS A 33 0.815 -6.143 -3.902 1.00 0.00 N ATOM 498 CA CYS A 33 1.665 -4.956 -3.877 1.00 0.00 C ATOM 499 C CYS A 33 1.300 -4.000 -4.984 1.00 0.00 C ATOM 500 O CYS A 33 1.326 -2.795 -4.791 1.00 0.00 O ATOM 501 CB CYS A 33 3.149 -5.314 -3.995 1.00 0.00 C ATOM 502 SG CYS A 33 3.742 -5.533 -5.718 1.00 0.00 S ATOM 0 H CYS A 33 1.313 -7.018 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 33 1.496 -4.476 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.738 -4.531 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.333 -6.234 -3.441 1.00 0.00 H new ATOM 507 N LYS A 34 0.952 -4.546 -6.144 1.00 0.00 N ATOM 508 CA LYS A 34 0.617 -3.737 -7.294 1.00 0.00 C ATOM 509 C LYS A 34 -0.524 -2.794 -6.960 1.00 0.00 C ATOM 510 O LYS A 34 -0.457 -1.607 -7.245 1.00 0.00 O ATOM 511 CB LYS A 34 0.251 -4.623 -8.486 1.00 0.00 C ATOM 512 CG LYS A 34 0.100 -3.857 -9.790 1.00 0.00 C ATOM 513 CD LYS A 34 -0.280 -4.769 -10.950 1.00 0.00 C ATOM 514 CE LYS A 34 0.749 -5.866 -11.168 1.00 0.00 C ATOM 515 NZ LYS A 34 0.522 -6.581 -12.448 1.00 0.00 N ATOM 0 H LYS A 34 0.897 -5.552 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 34 1.489 -3.143 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.019 -5.387 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.683 -5.142 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.661 -3.086 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.036 -3.348 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.254 -5.218 -10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.378 -4.177 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.749 -5.433 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.706 -6.575 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.242 -7.322 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.423 -7.015 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.588 -5.908 -13.238 1.00 0.00 H new ATOM 529 N LYS A 35 -1.543 -3.327 -6.313 1.00 0.00 N ATOM 530 CA LYS A 35 -2.706 -2.543 -5.936 1.00 0.00 C ATOM 531 C LYS A 35 -2.332 -1.513 -4.873 1.00 0.00 C ATOM 532 O LYS A 35 -2.684 -0.336 -4.980 1.00 0.00 O ATOM 533 CB LYS A 35 -3.832 -3.449 -5.398 1.00 0.00 C ATOM 534 CG LYS A 35 -4.444 -4.420 -6.416 1.00 0.00 C ATOM 535 CD LYS A 35 -3.474 -5.529 -6.814 1.00 0.00 C ATOM 536 CE LYS A 35 -4.175 -6.638 -7.580 1.00 0.00 C ATOM 537 NZ LYS A 35 -5.149 -7.367 -6.733 1.00 0.00 N ATOM 0 H LYS A 35 -1.589 -4.307 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.064 -2.029 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.440 -4.027 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.627 -2.816 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.346 -4.863 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.746 -3.868 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.675 -5.112 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.007 -5.943 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.690 -6.214 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.433 -7.338 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.041 -8.391 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.975 -7.143 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.115 -7.080 -6.989 1.00 0.00 H new ATOM 551 N LEU A 36 -1.600 -1.963 -3.863 1.00 0.00 N ATOM 552 CA LEU A 36 -1.212 -1.108 -2.748 1.00 0.00 C ATOM 553 C LEU A 36 -0.312 0.042 -3.197 1.00 0.00 C ATOM 554 O LEU A 36 -0.611 1.207 -2.935 1.00 0.00 O ATOM 555 CB LEU A 36 -0.526 -1.933 -1.651 1.00 0.00 C ATOM 556 CG LEU A 36 -1.374 -3.056 -1.044 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.619 -3.766 0.061 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.679 -2.512 -0.523 1.00 0.00 C ATOM 0 H LEU A 36 -1.261 -2.922 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.123 -0.669 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.383 -2.370 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.220 -1.259 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.589 -3.780 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.242 -4.559 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.297 -4.198 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.368 -3.053 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.267 -3.324 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.481 -1.765 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.234 -2.053 -1.341 1.00 0.00 H new ATOM 570 N ARG A 37 0.778 -0.272 -3.905 1.00 0.00 N ATOM 571 CA ARG A 37 1.692 0.776 -4.345 1.00 0.00 C ATOM 572 C ARG A 37 1.022 1.737 -5.327 1.00 0.00 C ATOM 573 O ARG A 37 1.349 2.917 -5.359 1.00 0.00 O ATOM 574 CB ARG A 37 3.019 0.204 -4.899 1.00 0.00 C ATOM 575 CG ARG A 37 2.920 -0.640 -6.166 1.00 0.00 C ATOM 576 CD ARG A 37 2.972 0.208 -7.431 1.00 0.00 C ATOM 577 NE ARG A 37 3.277 -0.605 -8.608 1.00 0.00 N ATOM 578 CZ ARG A 37 3.359 -0.138 -9.858 1.00 0.00 C ATOM 579 NH1 ARG A 37 3.065 1.131 -10.132 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.723 -0.953 -10.843 1.00 0.00 N ATOM 0 H ARG A 37 1.041 -1.219 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 37 1.954 1.357 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.694 1.037 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.481 -0.403 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.735 -1.364 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.990 -1.208 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.016 0.711 -7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.728 0.985 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 37 3.439 -1.602 -8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.773 1.760 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.132 1.475 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.938 -1.930 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.787 -0.602 -11.798 1.00 0.00 H new ATOM 594 N SER A 38 0.060 1.231 -6.098 1.00 0.00 N ATOM 595 CA SER A 38 -0.676 2.069 -7.045 1.00 0.00 C ATOM 596 C SER A 38 -1.579 3.063 -6.313 1.00 0.00 C ATOM 597 O SER A 38 -1.835 4.170 -6.805 1.00 0.00 O ATOM 598 CB SER A 38 -1.503 1.217 -8.006 1.00 0.00 C ATOM 599 OG SER A 38 -0.664 0.419 -8.819 1.00 0.00 O ATOM 0 H SER A 38 -0.227 0.252 -6.086 1.00 0.00 H new ATOM 0 HA SER A 38 0.057 2.630 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.183 0.579 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.118 1.862 -8.633 1.00 0.00 H new ATOM 0 HG SER A 38 -0.291 -0.313 -8.285 1.00 0.00 H new ATOM 605 N SER A 39 -2.063 2.668 -5.150 1.00 0.00 N ATOM 606 CA SER A 39 -2.906 3.530 -4.347 1.00 0.00 C ATOM 607 C SER A 39 -2.046 4.536 -3.583 1.00 0.00 C ATOM 608 O SER A 39 -2.462 5.661 -3.320 1.00 0.00 O ATOM 609 CB SER A 39 -3.738 2.691 -3.384 1.00 0.00 C ATOM 610 OG SER A 39 -4.392 1.635 -4.079 1.00 0.00 O ATOM 0 H SER A 39 -1.885 1.751 -4.740 1.00 0.00 H new ATOM 0 HA SER A 39 -3.583 4.081 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.097 2.279 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.477 3.321 -2.889 1.00 0.00 H new ATOM 0 HG SER A 39 -3.735 0.952 -4.329 1.00 0.00 H new ATOM 616 N PHE A 40 -0.835 4.123 -3.248 1.00 0.00 N ATOM 617 CA PHE A 40 0.105 4.968 -2.543 1.00 0.00 C ATOM 618 C PHE A 40 0.681 6.051 -3.451 1.00 0.00 C ATOM 619 O PHE A 40 0.763 7.213 -3.069 1.00 0.00 O ATOM 620 CB PHE A 40 1.217 4.117 -1.943 1.00 0.00 C ATOM 621 CG PHE A 40 0.955 3.718 -0.526 1.00 0.00 C ATOM 622 CD1 PHE A 40 -0.054 2.824 -0.216 1.00 0.00 C ATOM 623 CD2 PHE A 40 1.712 4.251 0.501 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.303 2.472 1.092 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.470 3.900 1.809 1.00 0.00 C ATOM 626 CZ PHE A 40 0.462 3.014 2.105 1.00 0.00 C ATOM 0 H PHE A 40 -0.479 3.191 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.430 5.474 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.346 3.220 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.155 4.671 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.652 2.398 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.502 4.951 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.094 1.774 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.071 4.320 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.268 2.741 3.132 1.00 0.00 H new ATOM 636 N GLU A 41 1.051 5.672 -4.660 1.00 0.00 N ATOM 637 CA GLU A 41 1.625 6.612 -5.625 1.00 0.00 C ATOM 638 C GLU A 41 0.575 7.611 -6.124 1.00 0.00 C ATOM 639 O GLU A 41 0.879 8.504 -6.910 1.00 0.00 O ATOM 640 CB GLU A 41 2.235 5.865 -6.812 1.00 0.00 C ATOM 641 CG GLU A 41 1.217 5.087 -7.624 1.00 0.00 C ATOM 642 CD GLU A 41 1.821 4.384 -8.818 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.894 3.141 -8.810 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.200 5.074 -9.788 1.00 0.00 O ATOM 0 H GLU A 41 0.967 4.716 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 41 2.411 7.167 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.737 6.581 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.998 5.178 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.736 4.350 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.438 5.768 -7.967 1.00 0.00 H new ATOM 651 N SER A 42 -0.660 7.443 -5.658 1.00 0.00 N ATOM 652 CA SER A 42 -1.779 8.268 -6.086 1.00 0.00 C ATOM 653 C SER A 42 -1.512 9.751 -5.817 1.00 0.00 C ATOM 654 O SER A 42 -1.900 10.612 -6.613 1.00 0.00 O ATOM 655 CB SER A 42 -3.070 7.815 -5.385 1.00 0.00 C ATOM 656 OG SER A 42 -4.204 8.534 -5.848 1.00 0.00 O ATOM 0 H SER A 42 -0.910 6.730 -4.973 1.00 0.00 H new ATOM 0 HA SER A 42 -1.900 8.144 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.221 6.749 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.967 7.954 -4.309 1.00 0.00 H new ATOM 0 HG SER A 42 -4.965 7.923 -5.938 1.00 0.00 H new ATOM 662 N SER A 43 -0.846 10.056 -4.707 1.00 0.00 N ATOM 663 CA SER A 43 -0.543 11.442 -4.386 1.00 0.00 C ATOM 664 C SER A 43 0.768 11.576 -3.608 1.00 0.00 C ATOM 665 O SER A 43 1.825 11.771 -4.213 1.00 0.00 O ATOM 666 CB SER A 43 -1.701 12.076 -3.605 1.00 0.00 C ATOM 667 OG SER A 43 -2.921 11.935 -4.313 1.00 0.00 O ATOM 0 H SER A 43 -0.512 9.373 -4.027 1.00 0.00 H new ATOM 0 HA SER A 43 -0.417 11.976 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.787 11.605 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.495 13.132 -3.433 1.00 0.00 H new ATOM 0 HG SER A 43 -3.531 11.362 -3.803 1.00 0.00 H new ATOM 673 N CYS A 44 0.699 11.410 -2.274 1.00 0.00 N ATOM 674 CA CYS A 44 1.869 11.563 -1.388 1.00 0.00 C ATOM 675 C CYS A 44 1.445 11.590 0.107 1.00 0.00 C ATOM 676 O CYS A 44 1.966 10.816 0.911 1.00 0.00 O ATOM 677 CB CYS A 44 2.681 12.837 -1.738 1.00 0.00 C ATOM 678 SG CYS A 44 4.062 13.218 -0.605 1.00 0.00 S ATOM 0 H CYS A 44 -0.162 11.168 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 44 2.509 10.695 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.080 12.728 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.001 13.688 -1.754 1.00 0.00 H new ATOM 683 N PRO A 45 0.489 12.486 0.514 1.00 0.00 N ATOM 684 CA PRO A 45 0.015 12.539 1.903 1.00 0.00 C ATOM 685 C PRO A 45 -0.781 11.288 2.274 1.00 0.00 C ATOM 686 O PRO A 45 -1.559 10.774 1.463 1.00 0.00 O ATOM 687 CB PRO A 45 -0.890 13.776 1.934 1.00 0.00 C ATOM 688 CG PRO A 45 -1.327 13.960 0.524 1.00 0.00 C ATOM 689 CD PRO A 45 -0.174 13.513 -0.325 1.00 0.00 C ATOM 0 HA PRO A 45 0.838 12.589 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.743 13.626 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.352 14.651 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.220 13.372 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.577 15.002 0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.511 13.100 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.499 14.339 -0.557 1.00 0.00 H new ATOM 697 N GLN A 46 -0.604 10.818 3.508 1.00 0.00 N ATOM 698 CA GLN A 46 -1.264 9.596 3.969 1.00 0.00 C ATOM 699 C GLN A 46 -2.779 9.760 4.009 1.00 0.00 C ATOM 700 O GLN A 46 -3.510 8.775 3.947 1.00 0.00 O ATOM 701 CB GLN A 46 -0.747 9.182 5.347 1.00 0.00 C ATOM 702 CG GLN A 46 -1.198 7.788 5.768 1.00 0.00 C ATOM 703 CD GLN A 46 -0.751 7.407 7.166 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.624 8.256 8.044 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.499 6.129 7.377 1.00 0.00 N ATOM 0 H GLN A 46 -0.010 11.264 4.207 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.025 8.810 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.342 9.218 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.088 9.905 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.285 7.735 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.808 7.058 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.617 5.454 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.186 5.816 8.296 1.00 0.00 H new ATOM 714 N GLN A 47 -3.237 11.006 4.102 1.00 0.00 N ATOM 715 CA GLN A 47 -4.668 11.306 4.154 1.00 0.00 C ATOM 716 C GLN A 47 -5.398 10.657 2.983 1.00 0.00 C ATOM 717 O GLN A 47 -6.219 9.766 3.168 1.00 0.00 O ATOM 718 CB GLN A 47 -4.897 12.818 4.113 1.00 0.00 C ATOM 719 CG GLN A 47 -4.089 13.603 5.131 1.00 0.00 C ATOM 720 CD GLN A 47 -4.359 15.096 5.064 1.00 0.00 C ATOM 721 OE1 GLN A 47 -4.723 15.582 3.890 1.00 0.00 O flip ATOM 722 NE2 GLN A 47 -4.241 15.806 6.061 1.00 0.00 N flip ATOM 0 H GLN A 47 -2.636 11.829 4.143 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.061 10.904 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.654 13.183 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.956 13.017 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.321 13.240 6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.027 13.422 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.958 15.394 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.426 16.807 5.999 1.00 0.00 H new ATOM 731 N TRP A 48 -5.061 11.088 1.776 1.00 0.00 N ATOM 732 CA TRP A 48 -5.685 10.561 0.573 1.00 0.00 C ATOM 733 C TRP A 48 -5.245 9.129 0.318 1.00 0.00 C ATOM 734 O TRP A 48 -6.061 8.270 -0.015 1.00 0.00 O ATOM 735 CB TRP A 48 -5.345 11.436 -0.638 1.00 0.00 C ATOM 736 CG TRP A 48 -5.919 10.921 -1.929 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.337 10.028 -2.786 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.183 11.261 -2.501 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.161 9.797 -3.855 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.303 10.542 -3.707 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.229 12.105 -2.113 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.422 10.641 -4.525 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.340 12.203 -2.928 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.428 11.474 -4.120 1.00 0.00 C ATOM 0 H TRP A 48 -4.356 11.805 1.605 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.765 10.571 0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.715 12.446 -0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.261 11.506 -0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.369 9.572 -2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.958 9.172 -4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.169 12.669 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.494 10.081 -5.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.154 12.852 -2.641 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.311 11.572 -4.734 1.00 0.00 H new ATOM 755 N ILE A 49 -3.945 8.881 0.485 1.00 0.00 N ATOM 756 CA ILE A 49 -3.375 7.569 0.236 1.00 0.00 C ATOM 757 C ILE A 49 -4.089 6.483 1.008 1.00 0.00 C ATOM 758 O ILE A 49 -4.666 5.590 0.417 1.00 0.00 O ATOM 759 CB ILE A 49 -1.865 7.528 0.563 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.083 8.295 -0.502 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.364 6.087 0.687 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.404 8.344 -0.246 1.00 0.00 C ATOM 0 H ILE A 49 -3.269 9.580 0.794 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.509 7.380 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.704 8.009 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.260 7.833 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.467 9.314 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.299 6.091 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.906 5.581 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.530 5.562 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.892 8.905 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.593 8.833 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.802 7.330 -0.219 1.00 0.00 H new ATOM 774 N LYS A 50 -4.086 6.579 2.322 1.00 0.00 N ATOM 775 CA LYS A 50 -4.685 5.547 3.128 1.00 0.00 C ATOM 776 C LYS A 50 -6.194 5.561 3.056 1.00 0.00 C ATOM 777 O LYS A 50 -6.824 4.549 3.301 1.00 0.00 O ATOM 778 CB LYS A 50 -4.173 5.563 4.564 1.00 0.00 C ATOM 779 CG LYS A 50 -2.742 5.054 4.695 1.00 0.00 C ATOM 780 CD LYS A 50 -2.543 3.691 4.020 1.00 0.00 C ATOM 781 CE LYS A 50 -3.452 2.625 4.607 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.186 1.294 4.024 1.00 0.00 N ATOM 0 H LYS A 50 -3.679 7.354 2.846 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.367 4.598 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.227 6.580 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.828 4.951 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.059 5.779 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.482 4.975 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.737 3.784 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.504 3.381 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.312 2.583 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.493 2.898 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.062 0.734 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.845 1.404 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.463 0.805 4.590 1.00 0.00 H new ATOM 796 N TYR A 51 -6.774 6.705 2.726 1.00 0.00 N ATOM 797 CA TYR A 51 -8.218 6.778 2.536 1.00 0.00 C ATOM 798 C TYR A 51 -8.634 5.933 1.329 1.00 0.00 C ATOM 799 O TYR A 51 -9.544 5.103 1.414 1.00 0.00 O ATOM 800 CB TYR A 51 -8.666 8.237 2.340 1.00 0.00 C ATOM 801 CG TYR A 51 -10.111 8.389 1.909 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.151 8.219 2.814 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.433 8.703 0.593 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.468 8.357 2.419 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.746 8.842 0.192 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.759 8.667 1.108 1.00 0.00 C ATOM 807 OH TYR A 51 -14.075 8.802 0.712 1.00 0.00 O ATOM 0 H TYR A 51 -6.277 7.585 2.585 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.704 6.384 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.518 8.780 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.024 8.705 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.927 7.975 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.641 8.841 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.266 8.223 3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.978 9.087 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.108 9.023 -0.242 1.00 0.00 H new ATOM 817 N PHE A 52 -7.954 6.147 0.212 1.00 0.00 N ATOM 818 CA PHE A 52 -8.251 5.427 -1.016 1.00 0.00 C ATOM 819 C PHE A 52 -7.744 3.979 -0.947 1.00 0.00 C ATOM 820 O PHE A 52 -8.438 3.042 -1.359 1.00 0.00 O ATOM 821 CB PHE A 52 -7.631 6.161 -2.212 1.00 0.00 C ATOM 822 CG PHE A 52 -8.103 5.667 -3.549 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.377 5.973 -4.001 1.00 0.00 C ATOM 824 CD2 PHE A 52 -7.276 4.906 -4.355 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.816 5.528 -5.232 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.709 4.458 -5.587 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.981 4.768 -6.025 1.00 0.00 C ATOM 0 H PHE A 52 -7.189 6.817 0.132 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.333 5.392 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.858 7.224 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.547 6.062 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.034 6.567 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.280 4.659 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.811 5.774 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.053 3.865 -6.208 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.322 4.416 -6.987 1.00 0.00 H new ATOM 837 N ASP A 53 -6.541 3.811 -0.414 1.00 0.00 N ATOM 838 CA ASP A 53 -5.892 2.495 -0.301 1.00 0.00 C ATOM 839 C ASP A 53 -6.608 1.584 0.688 1.00 0.00 C ATOM 840 O ASP A 53 -6.552 0.374 0.564 1.00 0.00 O ATOM 841 CB ASP A 53 -4.420 2.658 0.106 1.00 0.00 C ATOM 842 CG ASP A 53 -3.704 1.338 0.300 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.384 1.003 1.465 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.457 0.642 -0.701 1.00 0.00 O ATOM 0 H ASP A 53 -5.980 4.579 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.948 2.024 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.901 3.237 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.367 3.232 1.031 1.00 0.00 H new ATOM 849 N LYS A 54 -7.311 2.182 1.646 1.00 0.00 N ATOM 850 CA LYS A 54 -8.011 1.437 2.711 1.00 0.00 C ATOM 851 C LYS A 54 -8.885 0.301 2.159 1.00 0.00 C ATOM 852 O LYS A 54 -9.048 -0.736 2.798 1.00 0.00 O ATOM 853 CB LYS A 54 -8.882 2.407 3.531 1.00 0.00 C ATOM 854 CG LYS A 54 -9.713 1.750 4.622 1.00 0.00 C ATOM 855 CD LYS A 54 -8.842 1.038 5.635 1.00 0.00 C ATOM 856 CE LYS A 54 -9.679 0.339 6.687 1.00 0.00 C ATOM 857 NZ LYS A 54 -8.845 -0.448 7.618 1.00 0.00 N ATOM 0 H LYS A 54 -7.417 3.194 1.714 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.249 0.981 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.235 3.156 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.551 2.935 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.315 2.506 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.406 1.038 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.211 0.309 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.177 1.756 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.250 1.079 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.400 -0.318 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.454 -0.911 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.319 -1.171 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.174 0.183 8.101 1.00 0.00 H new ATOM 871 N ARG A 55 -9.414 0.488 0.971 1.00 0.00 N ATOM 872 CA ARG A 55 -10.299 -0.497 0.377 1.00 0.00 C ATOM 873 C ARG A 55 -9.513 -1.682 -0.227 1.00 0.00 C ATOM 874 O ARG A 55 -10.053 -2.779 -0.385 1.00 0.00 O ATOM 875 CB ARG A 55 -11.165 0.181 -0.684 1.00 0.00 C ATOM 876 CG ARG A 55 -12.425 -0.584 -1.044 1.00 0.00 C ATOM 877 CD ARG A 55 -13.354 0.266 -1.898 1.00 0.00 C ATOM 878 NE ARG A 55 -13.701 1.531 -1.234 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.711 2.328 -1.593 1.00 0.00 C ATOM 880 NH1 ARG A 55 -15.492 2.006 -2.622 1.00 0.00 N ATOM 881 NH2 ARG A 55 -14.927 3.454 -0.927 1.00 0.00 N ATOM 0 H ARG A 55 -9.249 1.313 0.394 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.937 -0.908 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.445 1.172 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.570 0.322 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.161 -1.494 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.941 -0.891 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.877 0.477 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.264 -0.294 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.129 1.821 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.321 1.145 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.261 2.620 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.323 3.708 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.697 4.066 -1.197 1.00 0.00 H new ATOM 895 N ARG A 56 -8.244 -1.453 -0.547 1.00 0.00 N ATOM 896 CA ARG A 56 -7.388 -2.480 -1.167 1.00 0.00 C ATOM 897 C ARG A 56 -6.362 -3.043 -0.169 1.00 0.00 C ATOM 898 O ARG A 56 -5.896 -4.179 -0.311 1.00 0.00 O ATOM 899 CB ARG A 56 -6.648 -1.876 -2.365 1.00 0.00 C ATOM 900 CG ARG A 56 -7.566 -1.283 -3.421 1.00 0.00 C ATOM 901 CD ARG A 56 -6.778 -0.515 -4.472 1.00 0.00 C ATOM 902 NE ARG A 56 -7.648 0.024 -5.518 1.00 0.00 N ATOM 903 CZ ARG A 56 -7.304 1.001 -6.368 1.00 0.00 C ATOM 904 NH1 ARG A 56 -6.125 1.620 -6.251 1.00 0.00 N ATOM 905 NH2 ARG A 56 -8.158 1.382 -7.312 1.00 0.00 N ATOM 0 H ARG A 56 -7.775 -0.561 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.031 -3.298 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.972 -1.099 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.032 -2.648 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.135 -2.080 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.287 -0.618 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.235 0.301 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.034 -1.173 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.584 -0.373 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.478 1.350 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.872 2.363 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.070 0.931 -7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.902 2.125 -7.962 1.00 0.00 H new ATOM 919 N ASP A 57 -6.034 -2.224 0.819 1.00 0.00 N ATOM 920 CA ASP A 57 -5.003 -2.496 1.842 1.00 0.00 C ATOM 921 C ASP A 57 -4.996 -3.934 2.365 1.00 0.00 C ATOM 922 O ASP A 57 -5.977 -4.411 2.960 1.00 0.00 O ATOM 923 CB ASP A 57 -5.173 -1.524 3.002 1.00 0.00 C ATOM 924 CG ASP A 57 -4.098 -1.647 4.060 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.173 -0.895 5.056 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.172 -2.469 3.906 1.00 0.00 O ATOM 0 H ASP A 57 -6.486 -1.318 0.946 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.040 -2.356 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.174 -0.505 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.146 -1.690 3.464 1.00 0.00 H new ATOM 931 N TYR A 58 -3.887 -4.623 2.112 1.00 0.00 N ATOM 932 CA TYR A 58 -3.679 -5.965 2.615 1.00 0.00 C ATOM 933 C TYR A 58 -2.457 -6.027 3.546 1.00 0.00 C ATOM 934 O TYR A 58 -2.569 -6.346 4.715 1.00 0.00 O ATOM 935 CB TYR A 58 -3.508 -6.944 1.461 1.00 0.00 C ATOM 936 CG TYR A 58 -3.457 -8.406 1.885 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.188 -8.867 2.980 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.679 -9.321 1.192 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.137 -10.192 3.366 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.627 -10.648 1.571 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.354 -11.078 2.659 1.00 0.00 C ATOM 942 OH TYR A 58 -3.298 -12.401 3.040 1.00 0.00 O ATOM 0 H TYR A 58 -3.113 -4.263 1.554 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.560 -6.246 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.332 -6.809 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.590 -6.700 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.804 -8.176 3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.103 -8.990 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.708 -10.532 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.018 -11.346 1.016 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.701 -12.890 2.436 1.00 0.00 H new ATOM 952 N LEU A 59 -1.288 -5.753 3.003 1.00 0.00 N ATOM 953 CA LEU A 59 -0.061 -5.823 3.786 1.00 0.00 C ATOM 954 C LEU A 59 0.184 -4.576 4.629 1.00 0.00 C ATOM 955 O LEU A 59 0.817 -4.649 5.675 1.00 0.00 O ATOM 956 CB LEU A 59 1.152 -6.094 2.901 1.00 0.00 C ATOM 957 CG LEU A 59 1.233 -7.482 2.233 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.847 -8.583 3.204 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.381 -7.541 0.977 1.00 0.00 C ATOM 0 H LEU A 59 -1.157 -5.481 2.029 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.199 -6.659 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.175 -5.338 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.049 -5.955 3.504 1.00 0.00 H new ATOM 0 HG LEU A 59 2.270 -7.644 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.914 -9.549 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.524 -8.569 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.175 -8.423 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.460 -8.532 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.659 -7.340 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.730 -6.793 0.265 1.00 0.00 H new ATOM 971 N LYS A 60 -0.290 -3.443 4.166 1.00 0.00 N ATOM 972 CA LYS A 60 -0.048 -2.183 4.853 1.00 0.00 C ATOM 973 C LYS A 60 -0.713 -2.154 6.240 1.00 0.00 C ATOM 974 O LYS A 60 -0.107 -1.692 7.214 1.00 0.00 O ATOM 975 CB LYS A 60 -0.536 -1.012 3.991 1.00 0.00 C ATOM 976 CG LYS A 60 -0.035 0.356 4.435 1.00 0.00 C ATOM 977 CD LYS A 60 1.481 0.481 4.301 1.00 0.00 C ATOM 978 CE LYS A 60 1.949 0.158 2.886 1.00 0.00 C ATOM 979 NZ LYS A 60 3.308 0.687 2.617 1.00 0.00 N ATOM 0 H LYS A 60 -0.847 -3.361 3.315 1.00 0.00 H new ATOM 0 HA LYS A 60 1.026 -2.085 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.223 -1.182 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.626 -1.004 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.517 1.130 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.323 0.528 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.788 1.493 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.966 -0.193 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.945 -0.922 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.247 0.579 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.737 0.158 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.245 1.693 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.896 0.581 3.468 1.00 0.00 H new ATOM 993 N PHE A 61 -1.941 -2.663 6.332 1.00 0.00 N ATOM 994 CA PHE A 61 -2.659 -2.678 7.608 1.00 0.00 C ATOM 995 C PHE A 61 -2.048 -3.679 8.579 1.00 0.00 C ATOM 996 O PHE A 61 -2.332 -3.645 9.777 1.00 0.00 O ATOM 997 CB PHE A 61 -4.175 -2.934 7.419 1.00 0.00 C ATOM 998 CG PHE A 61 -4.610 -4.385 7.333 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.901 -5.100 8.487 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.756 -5.019 6.106 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.324 -6.411 8.422 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.178 -6.338 6.043 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.462 -7.030 7.199 1.00 0.00 C ATOM 0 H PHE A 61 -2.455 -3.066 5.549 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.553 -1.684 8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.706 -2.467 8.248 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.496 -2.427 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.795 -4.622 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.539 -4.481 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.547 -6.952 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.284 -6.824 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.793 -8.057 7.147 1.00 0.00 H new