USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 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 Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 0.498 (180deg=-0.882!) USER MOD Single : A 26 ASN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.201 F(o=-3.2!,f=-0.2) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 0.431 (180deg=0.254) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 89:sc= 1.24 USER MOD Single : A 39 SER OG : rot 70:sc= 0.499 USER MOD Single : A 42 SER OG : rot 108:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00504 USER MOD Single : A 46 GLN : amide:sc= -0.774 K(o=-0.77,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.89) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.313 (180deg=-0.811) USER MOD Single : A 51 TYR OH : rot 180:sc= 0.037 USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.232 (180deg=-1.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= 0.841 (180deg=0.201!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.336 10.686 6.566 1.00 0.00 N ATOM 118 CA ARG A 9 7.552 10.305 5.877 1.00 0.00 C ATOM 119 C ARG A 9 7.460 8.867 5.391 1.00 0.00 C ATOM 120 O ARG A 9 7.825 8.562 4.260 1.00 0.00 O ATOM 121 CB ARG A 9 8.753 10.465 6.811 1.00 0.00 C ATOM 122 CG ARG A 9 10.093 10.181 6.154 1.00 0.00 C ATOM 123 CD ARG A 9 10.413 11.203 5.076 1.00 0.00 C ATOM 124 NE ARG A 9 11.722 10.965 4.475 1.00 0.00 N ATOM 125 CZ ARG A 9 12.594 11.922 4.151 1.00 0.00 C ATOM 126 NH1 ARG A 9 12.304 13.198 4.383 1.00 0.00 N ATOM 127 NH2 ARG A 9 13.761 11.600 3.606 1.00 0.00 N ATOM 0 HA ARG A 9 7.681 10.957 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.761 11.482 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.629 9.796 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.879 10.189 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.081 9.182 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.646 11.168 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.387 12.205 5.505 1.00 0.00 H new ATOM 0 HE ARG A 9 11.989 9.998 4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.412 13.449 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.973 13.926 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.991 10.621 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.427 12.331 3.358 1.00 0.00 H new ATOM 141 N GLN A 10 6.941 8.000 6.250 1.00 0.00 N ATOM 142 CA GLN A 10 6.810 6.582 5.946 1.00 0.00 C ATOM 143 C GLN A 10 5.964 6.349 4.696 1.00 0.00 C ATOM 144 O GLN A 10 6.299 5.526 3.857 1.00 0.00 O ATOM 145 CB GLN A 10 6.198 5.843 7.150 1.00 0.00 C ATOM 146 CG GLN A 10 5.794 4.402 6.865 1.00 0.00 C ATOM 147 CD GLN A 10 6.949 3.548 6.378 1.00 0.00 C ATOM 148 OE1 GLN A 10 8.104 3.760 6.759 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.647 2.587 5.529 1.00 0.00 N ATOM 0 H GLN A 10 6.600 8.260 7.175 1.00 0.00 H new ATOM 0 HA GLN A 10 7.806 6.187 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.917 5.851 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.321 6.393 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.380 3.961 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.002 4.394 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.679 2.447 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.381 1.983 5.160 1.00 0.00 H new ATOM 158 N VAL A 11 4.890 7.094 4.573 1.00 0.00 N ATOM 159 CA VAL A 11 3.978 6.924 3.459 1.00 0.00 C ATOM 160 C VAL A 11 4.512 7.554 2.174 1.00 0.00 C ATOM 161 O VAL A 11 4.555 6.902 1.134 1.00 0.00 O ATOM 162 CB VAL A 11 2.586 7.495 3.793 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.657 7.425 2.588 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.992 6.737 4.965 1.00 0.00 C ATOM 0 H VAL A 11 4.623 7.826 5.231 1.00 0.00 H new ATOM 0 HA VAL A 11 3.888 5.851 3.288 1.00 0.00 H new ATOM 0 HB VAL A 11 2.699 8.545 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.683 7.835 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.081 8.003 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.541 6.386 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.008 7.143 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.898 5.682 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.643 6.841 5.833 1.00 0.00 H new ATOM 174 N CYS A 12 4.937 8.805 2.251 1.00 0.00 N ATOM 175 CA CYS A 12 5.414 9.510 1.066 1.00 0.00 C ATOM 176 C CYS A 12 6.692 8.862 0.517 1.00 0.00 C ATOM 177 O CYS A 12 6.785 8.557 -0.682 1.00 0.00 O ATOM 178 CB CYS A 12 5.646 10.989 1.379 1.00 0.00 C ATOM 179 SG CYS A 12 5.625 12.078 -0.086 1.00 0.00 S ATOM 0 H CYS A 12 4.963 9.351 3.112 1.00 0.00 H new ATOM 0 HA CYS A 12 4.646 9.438 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.880 11.325 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.607 11.096 1.883 1.00 0.00 H new ATOM 184 N TRP A 13 7.668 8.625 1.396 1.00 0.00 N ATOM 185 CA TRP A 13 8.912 7.996 0.983 1.00 0.00 C ATOM 186 C TRP A 13 8.663 6.537 0.641 1.00 0.00 C ATOM 187 O TRP A 13 9.264 5.993 -0.286 1.00 0.00 O ATOM 188 CB TRP A 13 9.982 8.116 2.077 1.00 0.00 C ATOM 189 CG TRP A 13 11.296 7.501 1.696 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.735 6.245 2.003 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.340 8.114 0.929 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.981 6.039 1.474 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.378 7.170 0.810 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.498 9.368 0.331 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.555 7.440 0.118 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.667 9.634 -0.355 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.682 8.674 -0.457 1.00 0.00 C ATOM 0 H TRP A 13 7.617 8.859 2.388 1.00 0.00 H new ATOM 0 HA TRP A 13 9.282 8.512 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.136 9.170 2.310 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.616 7.639 2.986 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.180 5.520 2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.526 5.181 1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.721 10.114 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.339 6.702 0.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.801 10.599 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.584 8.914 -1.001 1.00 0.00 H new ATOM 208 N GLY A 14 7.757 5.914 1.389 1.00 0.00 N ATOM 209 CA GLY A 14 7.403 4.538 1.138 1.00 0.00 C ATOM 210 C GLY A 14 6.866 4.353 -0.258 1.00 0.00 C ATOM 211 O GLY A 14 7.261 3.441 -0.954 1.00 0.00 O ATOM 0 H GLY A 14 7.261 6.346 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.278 3.904 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.655 4.215 1.863 1.00 0.00 H new ATOM 215 N ALA A 15 5.976 5.249 -0.668 1.00 0.00 N ATOM 216 CA ALA A 15 5.408 5.217 -2.010 1.00 0.00 C ATOM 217 C ALA A 15 6.497 5.399 -3.058 1.00 0.00 C ATOM 218 O ALA A 15 6.458 4.791 -4.131 1.00 0.00 O ATOM 219 CB ALA A 15 4.362 6.307 -2.159 1.00 0.00 C ATOM 0 H ALA A 15 5.630 6.012 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 15 4.938 4.245 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.944 6.275 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.567 6.150 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.823 7.280 -1.989 1.00 0.00 H new ATOM 225 N ARG A 16 7.466 6.242 -2.737 1.00 0.00 N ATOM 226 CA ARG A 16 8.576 6.519 -3.636 1.00 0.00 C ATOM 227 C ARG A 16 9.443 5.276 -3.823 1.00 0.00 C ATOM 228 O ARG A 16 9.826 4.937 -4.941 1.00 0.00 O ATOM 229 CB ARG A 16 9.424 7.676 -3.092 1.00 0.00 C ATOM 230 CG ARG A 16 10.536 8.135 -4.027 1.00 0.00 C ATOM 231 CD ARG A 16 10.025 9.082 -5.116 1.00 0.00 C ATOM 232 NE ARG A 16 8.995 8.479 -5.971 1.00 0.00 N ATOM 233 CZ ARG A 16 9.094 8.348 -7.299 1.00 0.00 C ATOM 234 NH1 ARG A 16 10.183 8.770 -7.938 1.00 0.00 N ATOM 235 NH2 ARG A 16 8.094 7.806 -7.984 1.00 0.00 N ATOM 0 H ARG A 16 7.506 6.750 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 16 8.168 6.804 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.770 8.522 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.866 7.372 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.311 8.636 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.998 7.265 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.620 9.979 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.864 9.398 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 16 8.146 8.136 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.948 9.196 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.252 8.667 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.254 7.491 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.165 7.704 -8.996 1.00 0.00 H new ATOM 249 N ASP A 17 9.739 4.601 -2.725 1.00 0.00 N ATOM 250 CA ASP A 17 10.567 3.398 -2.760 1.00 0.00 C ATOM 251 C ASP A 17 9.782 2.209 -3.318 1.00 0.00 C ATOM 252 O ASP A 17 10.317 1.395 -4.085 1.00 0.00 O ATOM 253 CB ASP A 17 11.104 3.082 -1.362 1.00 0.00 C ATOM 254 CG ASP A 17 12.079 1.924 -1.360 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.261 2.133 -1.700 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.675 0.800 -1.002 1.00 0.00 O ATOM 0 H ASP A 17 9.419 4.864 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 17 11.412 3.583 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.596 3.967 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.269 2.850 -0.700 1.00 0.00 H new ATOM 261 N GLU A 18 8.505 2.122 -2.943 1.00 0.00 N ATOM 262 CA GLU A 18 7.622 1.060 -3.417 1.00 0.00 C ATOM 263 C GLU A 18 7.364 1.175 -4.911 1.00 0.00 C ATOM 264 O GLU A 18 6.940 0.215 -5.552 1.00 0.00 O ATOM 265 CB GLU A 18 6.305 1.024 -2.633 1.00 0.00 C ATOM 266 CG GLU A 18 6.434 0.365 -1.265 1.00 0.00 C ATOM 267 CD GLU A 18 5.103 0.178 -0.565 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.297 -0.669 -1.019 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.864 0.850 0.464 1.00 0.00 O ATOM 0 H GLU A 18 8.058 2.782 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 18 8.136 0.115 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.939 2.043 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.557 0.488 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.916 -0.606 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.086 0.972 -0.636 1.00 0.00 H new ATOM 276 N TYR A 19 7.590 2.365 -5.457 1.00 0.00 N ATOM 277 CA TYR A 19 7.476 2.571 -6.888 1.00 0.00 C ATOM 278 C TYR A 19 8.409 1.601 -7.623 1.00 0.00 C ATOM 279 O TYR A 19 8.061 1.055 -8.676 1.00 0.00 O ATOM 280 CB TYR A 19 7.819 4.022 -7.251 1.00 0.00 C ATOM 281 CG TYR A 19 7.782 4.304 -8.734 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.576 4.500 -9.394 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.953 4.366 -9.478 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.539 4.748 -10.751 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.923 4.616 -10.834 1.00 0.00 C ATOM 286 CZ TYR A 19 7.713 4.804 -11.464 1.00 0.00 C ATOM 287 OH TYR A 19 7.679 5.043 -12.817 1.00 0.00 O ATOM 0 H TYR A 19 7.852 3.197 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 19 6.448 2.378 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.119 4.688 -6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.813 4.257 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.652 4.458 -8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.903 4.216 -8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.593 4.897 -11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.843 4.664 -11.398 1.00 0.00 H new ATOM 0 HH TYR A 19 8.593 5.052 -13.171 1.00 0.00 H new ATOM 297 N TRP A 20 9.587 1.385 -7.053 1.00 0.00 N ATOM 298 CA TRP A 20 10.550 0.458 -7.617 1.00 0.00 C ATOM 299 C TRP A 20 10.195 -0.975 -7.230 1.00 0.00 C ATOM 300 O TRP A 20 10.098 -1.852 -8.088 1.00 0.00 O ATOM 301 CB TRP A 20 11.965 0.813 -7.163 1.00 0.00 C ATOM 302 CG TRP A 20 12.376 2.196 -7.563 1.00 0.00 C ATOM 303 CD1 TRP A 20 12.410 2.702 -8.828 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.818 3.247 -6.697 1.00 0.00 C ATOM 305 NE1 TRP A 20 12.838 4.006 -8.805 1.00 0.00 N ATOM 306 CE2 TRP A 20 13.096 4.365 -7.508 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.000 3.355 -5.316 1.00 0.00 C ATOM 308 CZ2 TRP A 20 13.548 5.574 -6.982 1.00 0.00 C ATOM 309 CZ3 TRP A 20 13.451 4.554 -4.796 1.00 0.00 C ATOM 310 CH2 TRP A 20 13.719 5.649 -5.626 1.00 0.00 C ATOM 0 H TRP A 20 9.897 1.843 -6.196 1.00 0.00 H new ATOM 0 HA TRP A 20 10.516 0.536 -8.704 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.027 0.720 -6.079 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.668 0.094 -7.585 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.139 2.156 -9.720 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.946 4.609 -9.620 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.792 2.517 -4.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.756 6.420 -7.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.599 4.648 -3.730 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.068 6.572 -5.187 1.00 0.00 H new ATOM 321 N LYS A 21 9.992 -1.204 -5.939 1.00 0.00 N ATOM 322 CA LYS A 21 9.601 -2.518 -5.443 1.00 0.00 C ATOM 323 C LYS A 21 8.331 -2.394 -4.640 1.00 0.00 C ATOM 324 O LYS A 21 8.343 -1.857 -3.532 1.00 0.00 O ATOM 325 CB LYS A 21 10.683 -3.126 -4.556 1.00 0.00 C ATOM 326 CG LYS A 21 10.385 -4.560 -4.128 1.00 0.00 C ATOM 327 CD LYS A 21 11.150 -4.974 -2.863 1.00 0.00 C ATOM 328 CE LYS A 21 12.662 -4.803 -2.997 1.00 0.00 C ATOM 329 NZ LYS A 21 13.093 -3.400 -2.759 1.00 0.00 N ATOM 0 H LYS A 21 10.092 -0.494 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 21 9.451 -3.169 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.633 -3.105 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.803 -2.507 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.315 -4.667 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.643 -5.238 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.796 -4.380 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.927 -6.016 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.164 -5.461 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.974 -5.113 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.061 -3.394 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.071 -2.873 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.450 -2.950 -2.077 1.00 0.00 H new ATOM 343 N CYS A 22 7.239 -2.872 -5.192 1.00 0.00 N ATOM 344 CA CYS A 22 5.967 -2.790 -4.516 1.00 0.00 C ATOM 345 C CYS A 22 5.986 -3.623 -3.229 1.00 0.00 C ATOM 346 O CYS A 22 6.558 -4.719 -3.200 1.00 0.00 O ATOM 347 CB CYS A 22 4.859 -3.273 -5.462 1.00 0.00 C ATOM 348 SG CYS A 22 5.160 -4.940 -6.174 1.00 0.00 S ATOM 0 H CYS A 22 7.207 -3.321 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 22 5.772 -1.754 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.913 -3.286 -4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.751 -2.556 -6.275 1.00 0.00 H new ATOM 353 N LEU A 23 5.340 -3.101 -2.181 1.00 0.00 N ATOM 354 CA LEU A 23 5.272 -3.763 -0.875 1.00 0.00 C ATOM 355 C LEU A 23 6.648 -4.141 -0.349 1.00 0.00 C ATOM 356 O LEU A 23 6.930 -5.307 -0.084 1.00 0.00 O ATOM 357 CB LEU A 23 4.355 -4.976 -0.917 1.00 0.00 C ATOM 358 CG LEU A 23 2.898 -4.674 -1.229 1.00 0.00 C ATOM 359 CD1 LEU A 23 2.080 -5.938 -1.178 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.344 -3.637 -0.271 1.00 0.00 C ATOM 0 H LEU A 23 4.850 -2.207 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 23 4.848 -3.040 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.734 -5.672 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.406 -5.484 0.046 1.00 0.00 H new ATOM 0 HG LEU A 23 2.840 -4.264 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.039 -5.707 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.461 -6.648 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.147 -6.375 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.300 -3.438 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.413 -4.011 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.920 -2.716 -0.360 1.00 0.00 H new ATOM 372 N ASP A 24 7.492 -3.139 -0.204 1.00 0.00 N ATOM 373 CA ASP A 24 8.847 -3.312 0.318 1.00 0.00 C ATOM 374 C ASP A 24 8.818 -3.561 1.829 1.00 0.00 C ATOM 375 O ASP A 24 9.822 -3.952 2.430 1.00 0.00 O ATOM 376 CB ASP A 24 9.706 -2.081 -0.009 1.00 0.00 C ATOM 377 CG ASP A 24 11.171 -2.263 0.364 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.906 -2.927 -0.399 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.599 -1.733 1.416 1.00 0.00 O ATOM 0 H ASP A 24 7.263 -2.174 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 24 9.292 -4.184 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.632 -1.866 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.307 -1.215 0.519 1.00 0.00 H new ATOM 384 N GLU A 25 7.669 -3.309 2.434 1.00 0.00 N ATOM 385 CA GLU A 25 7.508 -3.432 3.879 1.00 0.00 C ATOM 386 C GLU A 25 7.437 -4.886 4.366 1.00 0.00 C ATOM 387 O GLU A 25 8.262 -5.308 5.174 1.00 0.00 O ATOM 388 CB GLU A 25 6.287 -2.633 4.387 1.00 0.00 C ATOM 389 CG GLU A 25 5.328 -2.133 3.307 1.00 0.00 C ATOM 390 CD GLU A 25 4.379 -3.199 2.807 1.00 0.00 C ATOM 391 OE1 GLU A 25 4.843 -4.263 2.361 1.00 0.00 O ATOM 392 OE2 GLU A 25 3.160 -2.960 2.844 1.00 0.00 O ATOM 0 H GLU A 25 6.824 -3.015 1.944 1.00 0.00 H new ATOM 0 HA GLU A 25 8.413 -3.001 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.728 -3.261 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.648 -1.774 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.749 -1.299 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.907 -1.749 2.467 1.00 0.00 H new ATOM 399 N ASN A 26 6.464 -5.650 3.884 1.00 0.00 N ATOM 400 CA ASN A 26 6.288 -7.020 4.375 1.00 0.00 C ATOM 401 C ASN A 26 6.570 -8.054 3.299 1.00 0.00 C ATOM 402 O ASN A 26 7.017 -9.158 3.603 1.00 0.00 O ATOM 403 CB ASN A 26 4.861 -7.220 4.899 1.00 0.00 C ATOM 404 CG ASN A 26 4.495 -6.273 6.022 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.723 -6.565 7.197 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.915 -5.137 5.671 1.00 0.00 N ATOM 0 H ASN A 26 5.797 -5.358 3.170 1.00 0.00 H new ATOM 0 HA ASN A 26 7.007 -7.162 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.158 -7.086 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.751 -8.246 5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.638 -4.464 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.745 -4.934 4.686 1.00 0.00 H new ATOM 413 N LEU A 27 6.333 -7.684 2.039 1.00 0.00 N ATOM 414 CA LEU A 27 6.583 -8.566 0.872 1.00 0.00 C ATOM 415 C LEU A 27 5.907 -9.950 1.003 1.00 0.00 C ATOM 416 O LEU A 27 6.232 -10.868 0.250 1.00 0.00 O ATOM 417 CB LEU A 27 8.096 -8.774 0.643 1.00 0.00 C ATOM 418 CG LEU A 27 8.947 -7.520 0.425 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.293 -6.871 1.752 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.208 -7.857 -0.352 1.00 0.00 C ATOM 0 H LEU A 27 5.963 -6.768 1.787 1.00 0.00 H new ATOM 0 HA LEU A 27 6.141 -8.052 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.498 -9.310 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.221 -9.423 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 27 8.365 -6.809 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.898 -5.982 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.376 -6.589 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.854 -7.575 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.799 -6.953 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.794 -8.588 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.937 -8.272 -1.323 1.00 0.00 H new ATOM 432 N GLU A 28 4.966 -10.095 1.931 1.00 0.00 N ATOM 433 CA GLU A 28 4.340 -11.393 2.165 1.00 0.00 C ATOM 434 C GLU A 28 3.359 -11.759 1.063 1.00 0.00 C ATOM 435 O GLU A 28 3.323 -12.902 0.617 1.00 0.00 O ATOM 436 CB GLU A 28 3.665 -11.451 3.534 1.00 0.00 C ATOM 437 CG GLU A 28 4.618 -11.203 4.688 1.00 0.00 C ATOM 438 CD GLU A 28 4.000 -11.502 6.029 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.166 -10.707 6.500 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.353 -12.537 6.628 1.00 0.00 O ATOM 0 H GLU A 28 4.623 -9.341 2.526 1.00 0.00 H new ATOM 0 HA GLU A 28 5.139 -12.134 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.865 -10.711 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.200 -12.429 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.508 -11.819 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.944 -10.163 4.667 1.00 0.00 H new ATOM 447 N ASP A 29 2.574 -10.797 0.621 1.00 0.00 N ATOM 448 CA ASP A 29 1.623 -11.051 -0.452 1.00 0.00 C ATOM 449 C ASP A 29 1.782 -10.018 -1.542 1.00 0.00 C ATOM 450 O ASP A 29 1.066 -9.020 -1.590 1.00 0.00 O ATOM 451 CB ASP A 29 0.180 -11.082 0.062 1.00 0.00 C ATOM 452 CG ASP A 29 -0.795 -11.595 -0.984 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.948 -12.833 -1.099 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.417 -10.771 -1.688 1.00 0.00 O ATOM 0 H ASP A 29 2.572 -9.842 0.980 1.00 0.00 H new ATOM 0 HA ASP A 29 1.839 -12.037 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.126 -11.716 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.115 -10.079 0.369 1.00 0.00 H new ATOM 459 N ALA A 30 2.751 -10.247 -2.396 1.00 0.00 N ATOM 460 CA ALA A 30 3.052 -9.336 -3.484 1.00 0.00 C ATOM 461 C ALA A 30 1.949 -9.349 -4.531 1.00 0.00 C ATOM 462 O ALA A 30 1.893 -8.484 -5.401 1.00 0.00 O ATOM 463 CB ALA A 30 4.397 -9.671 -4.107 1.00 0.00 C ATOM 0 H ALA A 30 3.355 -11.068 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 30 3.108 -8.328 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.604 -8.976 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.179 -9.588 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.374 -10.689 -4.496 1.00 0.00 H new ATOM 469 N SER A 31 1.069 -10.328 -4.432 1.00 0.00 N ATOM 470 CA SER A 31 -0.050 -10.456 -5.338 1.00 0.00 C ATOM 471 C SER A 31 -0.952 -9.216 -5.261 1.00 0.00 C ATOM 472 O SER A 31 -1.602 -8.844 -6.239 1.00 0.00 O ATOM 473 CB SER A 31 -0.838 -11.711 -4.984 1.00 0.00 C ATOM 474 OG SER A 31 0.015 -12.846 -4.967 1.00 0.00 O ATOM 0 H SER A 31 1.113 -11.056 -3.719 1.00 0.00 H new ATOM 0 HA SER A 31 0.321 -10.537 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.309 -11.588 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.638 -11.861 -5.708 1.00 0.00 H new ATOM 0 HG SER A 31 -0.506 -13.643 -4.736 1.00 0.00 H new ATOM 480 N GLN A 32 -0.984 -8.589 -4.091 1.00 0.00 N ATOM 481 CA GLN A 32 -1.767 -7.376 -3.880 1.00 0.00 C ATOM 482 C GLN A 32 -0.914 -6.110 -4.013 1.00 0.00 C ATOM 483 O GLN A 32 -1.416 -5.000 -3.815 1.00 0.00 O ATOM 484 CB GLN A 32 -2.436 -7.399 -2.500 1.00 0.00 C ATOM 485 CG GLN A 32 -3.602 -8.369 -2.380 1.00 0.00 C ATOM 486 CD GLN A 32 -4.908 -7.826 -2.957 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.821 -6.963 -3.955 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -5.991 -8.179 -2.492 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.472 -8.904 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.531 -7.353 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.687 -7.657 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.789 -6.395 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.346 -9.297 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.753 -8.615 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.022 -8.847 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.858 -7.804 -2.877 1.00 0.00 H new ATOM 497 N CYS A 33 0.359 -6.266 -4.356 1.00 0.00 N ATOM 498 CA CYS A 33 1.272 -5.124 -4.377 1.00 0.00 C ATOM 499 C CYS A 33 0.951 -4.132 -5.477 1.00 0.00 C ATOM 500 O CYS A 33 1.184 -2.941 -5.313 1.00 0.00 O ATOM 501 CB CYS A 33 2.732 -5.559 -4.481 1.00 0.00 C ATOM 502 SG CYS A 33 3.338 -5.837 -6.174 1.00 0.00 S ATOM 0 H CYS A 33 0.780 -7.157 -4.620 1.00 0.00 H new ATOM 0 HA CYS A 33 1.125 -4.620 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.355 -4.800 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.862 -6.478 -3.910 1.00 0.00 H new ATOM 507 N LYS A 34 0.413 -4.610 -6.589 1.00 0.00 N ATOM 508 CA LYS A 34 0.104 -3.725 -7.699 1.00 0.00 C ATOM 509 C LYS A 34 -0.990 -2.756 -7.299 1.00 0.00 C ATOM 510 O LYS A 34 -0.902 -1.562 -7.566 1.00 0.00 O ATOM 511 CB LYS A 34 -0.293 -4.505 -8.971 1.00 0.00 C ATOM 512 CG LYS A 34 0.833 -5.329 -9.599 1.00 0.00 C ATOM 513 CD LYS A 34 1.159 -6.572 -8.782 1.00 0.00 C ATOM 514 CE LYS A 34 2.254 -7.398 -9.436 1.00 0.00 C ATOM 515 NZ LYS A 34 3.546 -6.671 -9.494 1.00 0.00 N ATOM 0 H LYS A 34 0.184 -5.592 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 34 1.008 -3.165 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.119 -5.172 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.663 -3.797 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.546 -5.624 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.726 -4.711 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.473 -6.278 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.261 -7.180 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.386 -8.327 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.947 -7.671 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.302 -7.328 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.481 -5.903 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.762 -6.272 -8.558 1.00 0.00 H new ATOM 529 N LYS A 35 -2.002 -3.272 -6.617 1.00 0.00 N ATOM 530 CA LYS A 35 -3.107 -2.448 -6.155 1.00 0.00 C ATOM 531 C LYS A 35 -2.641 -1.481 -5.074 1.00 0.00 C ATOM 532 O LYS A 35 -2.882 -0.276 -5.160 1.00 0.00 O ATOM 533 CB LYS A 35 -4.246 -3.321 -5.612 1.00 0.00 C ATOM 534 CG LYS A 35 -4.806 -4.322 -6.616 1.00 0.00 C ATOM 535 CD LYS A 35 -5.351 -3.639 -7.866 1.00 0.00 C ATOM 536 CE LYS A 35 -6.520 -2.723 -7.544 1.00 0.00 C ATOM 537 NZ LYS A 35 -7.136 -2.163 -8.770 1.00 0.00 N ATOM 0 H LYS A 35 -2.080 -4.259 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.476 -1.876 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.886 -3.864 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.055 -2.673 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.024 -5.026 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.600 -4.901 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.557 -3.062 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.669 -4.395 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.271 -3.277 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.178 -1.909 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.929 -1.544 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.426 -1.613 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.485 -2.939 -9.368 1.00 0.00 H new ATOM 551 N LEU A 36 -1.947 -2.011 -4.072 1.00 0.00 N ATOM 552 CA LEU A 36 -1.477 -1.203 -2.950 1.00 0.00 C ATOM 553 C LEU A 36 -0.480 -0.128 -3.394 1.00 0.00 C ATOM 554 O LEU A 36 -0.566 1.022 -2.954 1.00 0.00 O ATOM 555 CB LEU A 36 -0.887 -2.095 -1.847 1.00 0.00 C ATOM 556 CG LEU A 36 -1.880 -3.072 -1.189 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.233 -3.817 -0.037 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.118 -2.338 -0.718 1.00 0.00 C ATOM 0 H LEU A 36 -1.697 -2.998 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.340 -0.680 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.063 -2.670 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.465 -1.455 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.176 -3.805 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.958 -4.499 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.379 -4.385 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.897 -3.103 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.807 -3.045 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.835 -1.578 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.604 -1.861 -1.569 1.00 0.00 H new ATOM 570 N ARG A 37 0.459 -0.488 -4.276 1.00 0.00 N ATOM 571 CA ARG A 37 1.417 0.495 -4.787 1.00 0.00 C ATOM 572 C ARG A 37 0.680 1.612 -5.524 1.00 0.00 C ATOM 573 O ARG A 37 1.020 2.788 -5.391 1.00 0.00 O ATOM 574 CB ARG A 37 2.423 -0.149 -5.739 1.00 0.00 C ATOM 575 CG ARG A 37 3.593 0.759 -6.091 1.00 0.00 C ATOM 576 CD ARG A 37 4.105 0.487 -7.492 1.00 0.00 C ATOM 577 NE ARG A 37 3.163 0.952 -8.511 1.00 0.00 N ATOM 578 CZ ARG A 37 2.867 0.296 -9.631 1.00 0.00 C ATOM 579 NH1 ARG A 37 3.465 -0.858 -9.916 1.00 0.00 N ATOM 580 NH2 ARG A 37 1.983 0.808 -10.472 1.00 0.00 N ATOM 0 H ARG A 37 0.575 -1.432 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 37 1.957 0.903 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.806 -1.063 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.910 -0.439 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.283 1.801 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.399 0.611 -5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.066 0.982 -7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.277 -0.582 -7.616 1.00 0.00 H new ATOM 0 HE ARG A 37 2.698 1.846 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.156 -1.246 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.232 -1.354 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.534 1.699 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.751 0.312 -11.332 1.00 0.00 H new ATOM 594 N SER A 38 -0.344 1.231 -6.288 1.00 0.00 N ATOM 595 CA SER A 38 -1.134 2.187 -7.053 1.00 0.00 C ATOM 596 C SER A 38 -1.849 3.173 -6.134 1.00 0.00 C ATOM 597 O SER A 38 -2.070 4.328 -6.497 1.00 0.00 O ATOM 598 CB SER A 38 -2.143 1.459 -7.938 1.00 0.00 C ATOM 599 OG SER A 38 -1.485 0.619 -8.871 1.00 0.00 O ATOM 0 H SER A 38 -0.644 0.262 -6.392 1.00 0.00 H new ATOM 0 HA SER A 38 -0.452 2.752 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.814 0.865 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.759 2.186 -8.468 1.00 0.00 H new ATOM 0 HG SER A 38 -1.351 -0.268 -8.475 1.00 0.00 H new ATOM 605 N SER A 39 -2.203 2.716 -4.949 1.00 0.00 N ATOM 606 CA SER A 39 -2.862 3.562 -3.979 1.00 0.00 C ATOM 607 C SER A 39 -1.882 4.602 -3.420 1.00 0.00 C ATOM 608 O SER A 39 -2.228 5.773 -3.249 1.00 0.00 O ATOM 609 CB SER A 39 -3.423 2.706 -2.848 1.00 0.00 C ATOM 610 OG SER A 39 -4.211 1.637 -3.358 1.00 0.00 O ATOM 0 H SER A 39 -2.043 1.759 -4.636 1.00 0.00 H new ATOM 0 HA SER A 39 -3.680 4.090 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.604 2.305 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.028 3.324 -2.185 1.00 0.00 H new ATOM 0 HG SER A 39 -3.630 0.989 -3.809 1.00 0.00 H new ATOM 616 N PHE A 40 -0.661 4.166 -3.163 1.00 0.00 N ATOM 617 CA PHE A 40 0.374 5.016 -2.589 1.00 0.00 C ATOM 618 C PHE A 40 0.953 6.032 -3.579 1.00 0.00 C ATOM 619 O PHE A 40 1.348 7.129 -3.191 1.00 0.00 O ATOM 620 CB PHE A 40 1.480 4.154 -2.007 1.00 0.00 C ATOM 621 CG PHE A 40 1.278 3.842 -0.556 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.159 3.144 -0.135 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.197 4.260 0.389 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.041 2.876 1.201 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.005 3.990 1.726 1.00 0.00 C ATOM 626 CZ PHE A 40 0.886 3.298 2.134 1.00 0.00 C ATOM 0 H PHE A 40 -0.356 3.210 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.101 5.601 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.540 3.222 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.435 4.664 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.565 2.806 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.075 4.804 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.921 2.337 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.731 4.321 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.734 3.086 3.182 1.00 0.00 H new ATOM 636 N GLU A 41 0.973 5.685 -4.846 1.00 0.00 N ATOM 637 CA GLU A 41 1.568 6.553 -5.871 1.00 0.00 C ATOM 638 C GLU A 41 0.625 7.666 -6.263 1.00 0.00 C ATOM 639 O GLU A 41 0.966 8.522 -7.076 1.00 0.00 O ATOM 640 CB GLU A 41 1.947 5.758 -7.107 1.00 0.00 C ATOM 641 CG GLU A 41 0.781 5.014 -7.722 1.00 0.00 C ATOM 642 CD GLU A 41 1.131 4.326 -9.019 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.796 3.272 -8.982 1.00 0.00 O ATOM 644 OE2 GLU A 41 0.721 4.827 -10.087 1.00 0.00 O ATOM 0 H GLU A 41 0.588 4.811 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 41 2.468 6.989 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.370 6.434 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.728 5.044 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.417 4.272 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.036 5.714 -7.899 1.00 0.00 H new ATOM 651 N SER A 42 -0.556 7.637 -5.689 1.00 0.00 N ATOM 652 CA SER A 42 -1.596 8.591 -6.001 1.00 0.00 C ATOM 653 C SER A 42 -1.104 10.031 -5.866 1.00 0.00 C ATOM 654 O SER A 42 -1.257 10.835 -6.789 1.00 0.00 O ATOM 655 CB SER A 42 -2.789 8.346 -5.090 1.00 0.00 C ATOM 656 OG SER A 42 -3.363 7.075 -5.341 1.00 0.00 O ATOM 0 H SER A 42 -0.824 6.946 -4.988 1.00 0.00 H new ATOM 0 HA SER A 42 -1.892 8.451 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.475 8.409 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.536 9.124 -5.245 1.00 0.00 H new ATOM 0 HG SER A 42 -3.163 6.472 -4.595 1.00 0.00 H new ATOM 662 N SER A 43 -0.507 10.344 -4.731 1.00 0.00 N ATOM 663 CA SER A 43 -0.027 11.695 -4.473 1.00 0.00 C ATOM 664 C SER A 43 1.177 11.689 -3.529 1.00 0.00 C ATOM 665 O SER A 43 2.324 11.750 -3.972 1.00 0.00 O ATOM 666 CB SER A 43 -1.152 12.579 -3.905 1.00 0.00 C ATOM 667 OG SER A 43 -2.222 12.707 -4.827 1.00 0.00 O ATOM 0 H SER A 43 -0.341 9.684 -3.971 1.00 0.00 H new ATOM 0 HA SER A 43 0.295 12.116 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.521 12.148 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.756 13.566 -3.665 1.00 0.00 H new ATOM 0 HG SER A 43 -2.922 13.272 -4.439 1.00 0.00 H new ATOM 673 N CYS A 44 0.889 11.600 -2.225 1.00 0.00 N ATOM 674 CA CYS A 44 1.906 11.610 -1.164 1.00 0.00 C ATOM 675 C CYS A 44 1.248 11.672 0.240 1.00 0.00 C ATOM 676 O CYS A 44 1.614 10.896 1.122 1.00 0.00 O ATOM 677 CB CYS A 44 2.919 12.768 -1.343 1.00 0.00 C ATOM 678 SG CYS A 44 3.910 13.144 0.145 1.00 0.00 S ATOM 0 H CYS A 44 -0.065 11.518 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 44 2.460 10.674 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.595 12.519 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.377 13.666 -1.639 1.00 0.00 H new ATOM 683 N PRO A 45 0.267 12.607 0.481 1.00 0.00 N ATOM 684 CA PRO A 45 -0.434 12.686 1.773 1.00 0.00 C ATOM 685 C PRO A 45 -1.184 11.390 2.095 1.00 0.00 C ATOM 686 O PRO A 45 -1.987 10.907 1.285 1.00 0.00 O ATOM 687 CB PRO A 45 -1.432 13.838 1.581 1.00 0.00 C ATOM 688 CG PRO A 45 -0.873 14.642 0.463 1.00 0.00 C ATOM 689 CD PRO A 45 -0.199 13.662 -0.448 1.00 0.00 C ATOM 0 HA PRO A 45 0.258 12.843 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.427 13.463 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.527 14.434 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.660 15.185 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.165 15.384 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.887 13.266 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.630 14.118 -0.989 1.00 0.00 H new ATOM 697 N GLN A 46 -0.930 10.847 3.285 1.00 0.00 N ATOM 698 CA GLN A 46 -1.539 9.586 3.714 1.00 0.00 C ATOM 699 C GLN A 46 -3.054 9.689 3.800 1.00 0.00 C ATOM 700 O GLN A 46 -3.741 8.688 3.724 1.00 0.00 O ATOM 701 CB GLN A 46 -0.976 9.148 5.065 1.00 0.00 C ATOM 702 CG GLN A 46 -1.384 7.737 5.481 1.00 0.00 C ATOM 703 CD GLN A 46 -0.904 7.380 6.867 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.810 8.238 7.740 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.572 6.122 7.073 1.00 0.00 N ATOM 0 H GLN A 46 -0.303 11.263 3.974 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.292 8.839 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.112 9.205 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.307 9.851 5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.470 7.650 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.982 7.020 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.665 5.440 6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.222 5.830 7.985 1.00 0.00 H new ATOM 714 N GLN A 47 -3.565 10.903 3.955 1.00 0.00 N ATOM 715 CA GLN A 47 -5.006 11.119 4.048 1.00 0.00 C ATOM 716 C GLN A 47 -5.736 10.460 2.879 1.00 0.00 C ATOM 717 O GLN A 47 -6.552 9.558 3.073 1.00 0.00 O ATOM 718 CB GLN A 47 -5.325 12.617 4.094 1.00 0.00 C ATOM 719 CG GLN A 47 -4.760 13.327 5.316 1.00 0.00 C ATOM 720 CD GLN A 47 -5.244 12.717 6.619 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.345 12.173 6.694 1.00 0.00 O ATOM 722 NE2 GLN A 47 -4.431 12.808 7.650 1.00 0.00 N ATOM 0 H GLN A 47 -3.005 11.753 4.019 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.354 10.658 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.931 13.091 3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.407 12.750 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.671 13.289 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.043 14.379 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.526 13.267 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.706 12.419 8.552 1.00 0.00 H new ATOM 731 N TRP A 48 -5.422 10.899 1.674 1.00 0.00 N ATOM 732 CA TRP A 48 -6.045 10.354 0.484 1.00 0.00 C ATOM 733 C TRP A 48 -5.464 9.020 0.097 1.00 0.00 C ATOM 734 O TRP A 48 -6.176 8.158 -0.424 1.00 0.00 O ATOM 735 CB TRP A 48 -5.957 11.326 -0.667 1.00 0.00 C ATOM 736 CG TRP A 48 -6.894 12.458 -0.509 1.00 0.00 C ATOM 737 CD1 TRP A 48 -8.248 12.384 -0.536 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.559 13.828 -0.288 1.00 0.00 C ATOM 739 NE1 TRP A 48 -8.790 13.634 -0.352 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.769 14.539 -0.197 1.00 0.00 C ATOM 741 CE3 TRP A 48 -5.354 14.524 -0.161 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.809 15.914 0.018 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -5.395 15.886 0.052 1.00 0.00 C ATOM 744 CH2 TRP A 48 -6.613 16.568 0.140 1.00 0.00 C ATOM 0 H TRP A 48 -4.737 11.633 1.494 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.096 10.193 0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.938 11.707 -0.743 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.173 10.804 -1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.816 11.477 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.786 13.853 -0.334 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.409 14.005 -0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.748 16.444 0.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.471 16.435 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.610 17.635 0.308 1.00 0.00 H new ATOM 755 N ILE A 49 -4.171 8.842 0.338 1.00 0.00 N ATOM 756 CA ILE A 49 -3.528 7.584 0.038 1.00 0.00 C ATOM 757 C ILE A 49 -4.179 6.467 0.811 1.00 0.00 C ATOM 758 O ILE A 49 -4.640 5.511 0.227 1.00 0.00 O ATOM 759 CB ILE A 49 -2.019 7.616 0.336 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.300 8.450 -0.721 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.439 6.201 0.409 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.191 8.523 -0.527 1.00 0.00 C ATOM 0 H ILE A 49 -3.557 9.552 0.738 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.649 7.408 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.867 8.079 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.509 8.030 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.708 9.461 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.371 6.256 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.938 5.644 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.594 5.695 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.631 9.132 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.410 8.971 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.613 7.519 -0.566 1.00 0.00 H new ATOM 774 N LYS A 50 -4.253 6.617 2.126 1.00 0.00 N ATOM 775 CA LYS A 50 -4.852 5.598 2.955 1.00 0.00 C ATOM 776 C LYS A 50 -6.338 5.480 2.703 1.00 0.00 C ATOM 777 O LYS A 50 -6.892 4.402 2.811 1.00 0.00 O ATOM 778 CB LYS A 50 -4.563 5.820 4.443 1.00 0.00 C ATOM 779 CG LYS A 50 -3.441 4.940 4.976 1.00 0.00 C ATOM 780 CD LYS A 50 -3.778 3.469 4.801 1.00 0.00 C ATOM 781 CE LYS A 50 -2.641 2.570 5.232 1.00 0.00 C ATOM 782 NZ LYS A 50 -2.885 1.158 4.850 1.00 0.00 N ATOM 0 H LYS A 50 -3.906 7.431 2.633 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.388 4.653 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.302 6.866 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.470 5.626 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.513 5.170 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.274 5.156 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.669 3.230 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.017 3.274 3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.712 2.915 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.512 2.638 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.219 0.541 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.860 0.894 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.748 1.047 3.825 1.00 0.00 H new ATOM 796 N TYR A 51 -6.982 6.582 2.352 1.00 0.00 N ATOM 797 CA TYR A 51 -8.412 6.532 2.053 1.00 0.00 C ATOM 798 C TYR A 51 -8.663 5.587 0.877 1.00 0.00 C ATOM 799 O TYR A 51 -9.510 4.689 0.945 1.00 0.00 O ATOM 800 CB TYR A 51 -8.967 7.929 1.740 1.00 0.00 C ATOM 801 CG TYR A 51 -10.433 7.915 1.369 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.409 7.667 2.327 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.842 8.135 0.059 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.747 7.633 1.991 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.177 8.108 -0.285 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.126 7.856 0.685 1.00 0.00 C ATOM 807 OH TYR A 51 -14.458 7.813 0.344 1.00 0.00 O ATOM 0 H TYR A 51 -6.553 7.504 2.267 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.932 6.158 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.824 8.573 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.395 8.366 0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -11.115 7.498 3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.102 8.330 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.492 7.433 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.478 8.283 -1.307 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.556 7.992 -0.614 1.00 0.00 H new ATOM 817 N PHE A 52 -7.920 5.802 -0.189 1.00 0.00 N ATOM 818 CA PHE A 52 -7.990 4.959 -1.379 1.00 0.00 C ATOM 819 C PHE A 52 -7.397 3.548 -1.101 1.00 0.00 C ATOM 820 O PHE A 52 -7.949 2.527 -1.541 1.00 0.00 O ATOM 821 CB PHE A 52 -7.223 5.654 -2.517 1.00 0.00 C ATOM 822 CG PHE A 52 -7.350 5.007 -3.870 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.418 5.306 -4.700 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.387 4.121 -4.321 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.522 4.732 -5.952 1.00 0.00 C ATOM 826 CE2 PHE A 52 -6.488 3.540 -5.569 1.00 0.00 C ATOM 827 CZ PHE A 52 -7.556 3.847 -6.386 1.00 0.00 C ATOM 0 H PHE A 52 -7.248 6.566 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.033 4.822 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.572 6.684 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.167 5.694 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.178 5.996 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.545 3.881 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.358 4.975 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.732 2.846 -5.905 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.636 3.396 -7.364 1.00 0.00 H new ATOM 837 N ASP A 53 -6.295 3.517 -0.353 1.00 0.00 N ATOM 838 CA ASP A 53 -5.546 2.278 -0.052 1.00 0.00 C ATOM 839 C ASP A 53 -6.321 1.302 0.821 1.00 0.00 C ATOM 840 O ASP A 53 -6.420 0.133 0.485 1.00 0.00 O ATOM 841 CB ASP A 53 -4.208 2.610 0.619 1.00 0.00 C ATOM 842 CG ASP A 53 -3.425 1.382 1.039 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.838 0.726 0.162 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.378 1.092 2.259 1.00 0.00 O ATOM 0 H ASP A 53 -5.887 4.351 0.068 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.376 1.788 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.602 3.201 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.394 3.231 1.495 1.00 0.00 H new ATOM 849 N LYS A 54 -6.892 1.798 1.931 1.00 0.00 N ATOM 850 CA LYS A 54 -7.606 0.944 2.913 1.00 0.00 C ATOM 851 C LYS A 54 -8.656 0.042 2.265 1.00 0.00 C ATOM 852 O LYS A 54 -9.042 -0.976 2.834 1.00 0.00 O ATOM 853 CB LYS A 54 -8.250 1.795 4.018 1.00 0.00 C ATOM 854 CG LYS A 54 -7.245 2.421 4.976 1.00 0.00 C ATOM 855 CD LYS A 54 -7.892 3.416 5.949 1.00 0.00 C ATOM 856 CE LYS A 54 -8.576 2.728 7.131 1.00 0.00 C ATOM 857 NZ LYS A 54 -9.883 2.114 6.777 1.00 0.00 N ATOM 0 H LYS A 54 -6.876 2.788 2.177 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.851 0.293 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.840 2.587 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.941 1.173 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.752 1.632 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.472 2.932 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.130 4.099 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.624 4.019 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.915 1.957 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.728 3.456 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.552 2.246 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.259 2.569 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.753 1.097 6.600 1.00 0.00 H new ATOM 871 N ARG A 55 -9.106 0.409 1.082 1.00 0.00 N ATOM 872 CA ARG A 55 -10.084 -0.386 0.363 1.00 0.00 C ATOM 873 C ARG A 55 -9.463 -1.703 -0.138 1.00 0.00 C ATOM 874 O ARG A 55 -10.125 -2.730 -0.178 1.00 0.00 O ATOM 875 CB ARG A 55 -10.672 0.417 -0.802 1.00 0.00 C ATOM 876 CG ARG A 55 -11.401 1.684 -0.366 1.00 0.00 C ATOM 877 CD ARG A 55 -11.947 2.456 -1.557 1.00 0.00 C ATOM 878 NE ARG A 55 -12.666 3.668 -1.146 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.362 4.451 -1.983 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.417 4.163 -3.271 1.00 0.00 N ATOM 881 NH2 ARG A 55 -14.002 5.524 -1.528 1.00 0.00 N ATOM 0 H ARG A 55 -8.810 1.255 0.596 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.892 -0.638 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.869 0.688 -1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.364 -0.217 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.220 1.421 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.719 2.320 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.125 2.729 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.617 1.814 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.634 3.931 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.929 3.343 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.947 4.761 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.966 5.757 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.529 6.114 -2.171 1.00 0.00 H new ATOM 895 N ARG A 56 -8.189 -1.653 -0.527 1.00 0.00 N ATOM 896 CA ARG A 56 -7.478 -2.846 -1.017 1.00 0.00 C ATOM 897 C ARG A 56 -6.468 -3.351 0.014 1.00 0.00 C ATOM 898 O ARG A 56 -5.991 -4.484 -0.081 1.00 0.00 O ATOM 899 CB ARG A 56 -6.732 -2.561 -2.334 1.00 0.00 C ATOM 900 CG ARG A 56 -7.614 -2.214 -3.526 1.00 0.00 C ATOM 901 CD ARG A 56 -8.122 -0.785 -3.460 1.00 0.00 C ATOM 902 NE ARG A 56 -8.803 -0.399 -4.688 1.00 0.00 N ATOM 903 CZ ARG A 56 -9.248 0.823 -4.955 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.121 1.800 -4.059 1.00 0.00 N ATOM 905 NH2 ARG A 56 -9.812 1.076 -6.126 1.00 0.00 N ATOM 0 H ARG A 56 -7.624 -0.804 -0.514 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.237 -3.608 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.037 -1.738 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.134 -3.436 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.050 -2.356 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.461 -2.899 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.805 -0.680 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.286 -0.109 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.949 -1.120 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.679 1.612 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.466 2.736 -4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.903 0.333 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.155 2.014 -6.335 1.00 0.00 H new ATOM 919 N ASP A 57 -6.148 -2.482 0.975 1.00 0.00 N ATOM 920 CA ASP A 57 -5.114 -2.716 2.006 1.00 0.00 C ATOM 921 C ASP A 57 -5.052 -4.155 2.493 1.00 0.00 C ATOM 922 O ASP A 57 -6.023 -4.694 3.034 1.00 0.00 O ATOM 923 CB ASP A 57 -5.320 -1.766 3.191 1.00 0.00 C ATOM 924 CG ASP A 57 -4.203 -1.837 4.227 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.243 -1.045 5.200 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.276 -2.666 4.064 1.00 0.00 O ATOM 0 H ASP A 57 -6.605 -1.575 1.067 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.156 -2.513 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.396 -0.744 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.269 -2.000 3.674 1.00 0.00 H new ATOM 931 N TYR A 58 -3.920 -4.784 2.228 1.00 0.00 N ATOM 932 CA TYR A 58 -3.646 -6.119 2.702 1.00 0.00 C ATOM 933 C TYR A 58 -2.406 -6.107 3.609 1.00 0.00 C ATOM 934 O TYR A 58 -2.492 -6.384 4.798 1.00 0.00 O ATOM 935 CB TYR A 58 -3.434 -7.051 1.508 1.00 0.00 C ATOM 936 CG TYR A 58 -3.392 -8.538 1.838 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.367 -9.397 1.353 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.377 -9.077 2.619 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.331 -10.751 1.634 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.334 -10.426 2.906 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.310 -11.258 2.412 1.00 0.00 C ATOM 942 OH TYR A 58 -3.264 -12.608 2.691 1.00 0.00 O ATOM 0 H TYR A 58 -3.166 -4.377 1.675 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.493 -6.482 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.234 -6.879 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.499 -6.779 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.168 -9.002 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.607 -8.428 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.097 -11.407 1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.537 -10.826 3.516 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.482 -12.800 3.249 1.00 0.00 H new ATOM 952 N LEU A 59 -1.254 -5.773 3.015 1.00 0.00 N ATOM 953 CA LEU A 59 0.027 -5.728 3.740 1.00 0.00 C ATOM 954 C LEU A 59 0.191 -4.441 4.534 1.00 0.00 C ATOM 955 O LEU A 59 0.835 -4.425 5.588 1.00 0.00 O ATOM 956 CB LEU A 59 1.221 -5.859 2.771 1.00 0.00 C ATOM 957 CG LEU A 59 1.515 -7.249 2.183 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.607 -8.295 3.270 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.490 -7.642 1.136 1.00 0.00 C ATOM 0 H LEU A 59 -1.180 -5.528 2.028 1.00 0.00 H new ATOM 0 HA LEU A 59 0.014 -6.571 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.056 -5.172 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.116 -5.520 3.293 1.00 0.00 H new ATOM 0 HG LEU A 59 2.485 -7.192 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.816 -9.267 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.409 -8.033 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.663 -8.340 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.731 -8.630 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.502 -7.663 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.503 -6.916 0.323 1.00 0.00 H new ATOM 971 N LYS A 60 -0.397 -3.374 4.030 1.00 0.00 N ATOM 972 CA LYS A 60 -0.231 -2.047 4.605 1.00 0.00 C ATOM 973 C LYS A 60 -0.810 -1.953 6.020 1.00 0.00 C ATOM 974 O LYS A 60 -0.454 -1.046 6.777 1.00 0.00 O ATOM 975 CB LYS A 60 -0.794 -0.967 3.683 1.00 0.00 C ATOM 976 CG LYS A 60 0.003 0.334 3.711 1.00 0.00 C ATOM 977 CD LYS A 60 1.443 0.128 3.227 1.00 0.00 C ATOM 978 CE LYS A 60 1.489 -0.310 1.767 1.00 0.00 C ATOM 979 NZ LYS A 60 2.854 -0.693 1.353 1.00 0.00 N ATOM 0 H LYS A 60 -1.004 -3.399 3.211 1.00 0.00 H new ATOM 0 HA LYS A 60 0.840 -1.869 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.817 -1.348 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.825 -0.758 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.489 1.076 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.014 0.732 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.004 1.055 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.932 -0.623 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.814 -1.153 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.131 0.501 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.930 -0.640 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.543 -0.044 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.051 -1.665 1.665 1.00 0.00 H new ATOM 993 N PHE A 61 -1.744 -2.869 6.346 1.00 0.00 N ATOM 994 CA PHE A 61 -2.331 -3.000 7.705 1.00 0.00 C ATOM 995 C PHE A 61 -1.270 -2.870 8.818 1.00 0.00 C ATOM 996 O PHE A 61 -1.598 -2.555 9.969 1.00 0.00 O ATOM 997 CB PHE A 61 -3.037 -4.359 7.848 1.00 0.00 C ATOM 998 CG PHE A 61 -4.500 -4.354 7.500 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.941 -4.718 6.234 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.441 -3.997 8.451 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.290 -4.721 5.936 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -6.787 -3.997 8.153 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.213 -4.360 6.895 1.00 0.00 C ATOM 0 H PHE A 61 -2.117 -3.542 5.677 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.046 -2.185 7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.530 -5.084 7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.924 -4.704 8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.224 -5.001 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.116 -3.714 9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.623 -5.007 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.507 -3.712 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.267 -4.362 6.660 1.00 0.00 H new