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= 0.0719 K(o=0.072,f=-1.9) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0437 (180deg=-0.415) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0774 F(o=-4.2!,f=-0.077) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 1.23 (180deg=-0.242) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 147:sc= 0.495 USER MOD Single : A 42 SER OG : rot 130:sc= 0.152 USER MOD Single : A 43 SER OG : rot 180:sc= -0.704 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0891 (180deg=-1.29!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0945 (180deg=-0.551) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 142:sc= 0.795 (180deg=0.572) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.135 11.125 5.702 1.00 0.00 N ATOM 118 CA ARG A 9 6.371 11.257 4.945 1.00 0.00 C ATOM 119 C ARG A 9 6.879 9.875 4.556 1.00 0.00 C ATOM 120 O ARG A 9 7.414 9.683 3.467 1.00 0.00 O ATOM 121 CB ARG A 9 7.440 12.003 5.761 1.00 0.00 C ATOM 122 CG ARG A 9 7.714 11.402 7.135 1.00 0.00 C ATOM 123 CD ARG A 9 8.868 12.106 7.825 1.00 0.00 C ATOM 124 NE ARG A 9 10.118 11.978 7.071 1.00 0.00 N ATOM 125 CZ ARG A 9 11.250 12.616 7.376 1.00 0.00 C ATOM 126 NH1 ARG A 9 11.304 13.401 8.451 1.00 0.00 N ATOM 127 NH2 ARG A 9 12.326 12.461 6.614 1.00 0.00 N ATOM 0 HA ARG A 9 6.168 11.838 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.370 12.018 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.127 13.039 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.819 11.477 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.942 10.341 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.626 13.161 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.002 11.689 8.823 1.00 0.00 H new ATOM 0 HE ARG A 9 10.123 11.360 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.480 13.515 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.169 13.888 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.288 11.854 5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.191 12.949 6.847 1.00 0.00 H new ATOM 141 N GLN A 10 6.658 8.909 5.448 1.00 0.00 N ATOM 142 CA GLN A 10 7.059 7.533 5.226 1.00 0.00 C ATOM 143 C GLN A 10 6.310 6.963 4.037 1.00 0.00 C ATOM 144 O GLN A 10 6.881 6.277 3.206 1.00 0.00 O ATOM 145 CB GLN A 10 6.786 6.703 6.492 1.00 0.00 C ATOM 146 CG GLN A 10 7.165 5.228 6.388 1.00 0.00 C ATOM 147 CD GLN A 10 6.083 4.370 5.753 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.887 4.640 5.896 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.496 3.340 5.049 1.00 0.00 N ATOM 0 H GLN A 10 6.195 9.066 6.343 1.00 0.00 H new ATOM 0 HA GLN A 10 8.127 7.495 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.333 7.146 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.726 6.774 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.081 5.136 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.383 4.845 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.494 3.153 4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.818 2.728 4.595 1.00 0.00 H new ATOM 158 N VAL A 11 5.033 7.276 3.960 1.00 0.00 N ATOM 159 CA VAL A 11 4.188 6.800 2.884 1.00 0.00 C ATOM 160 C VAL A 11 4.600 7.427 1.550 1.00 0.00 C ATOM 161 O VAL A 11 4.657 6.752 0.532 1.00 0.00 O ATOM 162 CB VAL A 11 2.696 7.102 3.180 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.814 6.705 2.009 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.253 6.380 4.447 1.00 0.00 C ATOM 0 H VAL A 11 4.553 7.866 4.639 1.00 0.00 H new ATOM 0 HA VAL A 11 4.315 5.720 2.812 1.00 0.00 H new ATOM 0 HB VAL A 11 2.591 8.176 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.774 6.928 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.113 7.264 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.922 5.637 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.204 6.600 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.380 5.305 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.858 6.717 5.288 1.00 0.00 H new ATOM 174 N CYS A 12 4.915 8.710 1.574 1.00 0.00 N ATOM 175 CA CYS A 12 5.314 9.414 0.361 1.00 0.00 C ATOM 176 C CYS A 12 6.711 8.955 -0.106 1.00 0.00 C ATOM 177 O CYS A 12 6.924 8.662 -1.296 1.00 0.00 O ATOM 178 CB CYS A 12 5.288 10.926 0.594 1.00 0.00 C ATOM 179 SG CYS A 12 5.370 11.927 -0.929 1.00 0.00 S ATOM 0 H CYS A 12 4.903 9.287 2.415 1.00 0.00 H new ATOM 0 HA CYS A 12 4.602 9.173 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.376 11.182 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.126 11.196 1.237 1.00 0.00 H new ATOM 184 N TRP A 13 7.655 8.876 0.832 1.00 0.00 N ATOM 185 CA TRP A 13 9.002 8.412 0.518 1.00 0.00 C ATOM 186 C TRP A 13 8.946 6.947 0.113 1.00 0.00 C ATOM 187 O TRP A 13 9.635 6.506 -0.827 1.00 0.00 O ATOM 188 CB TRP A 13 9.928 8.599 1.726 1.00 0.00 C ATOM 189 CG TRP A 13 11.363 8.290 1.431 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.039 7.141 1.736 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.301 9.142 0.767 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.337 7.230 1.300 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.524 8.449 0.703 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.224 10.426 0.220 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.659 8.996 0.113 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.352 10.967 -0.365 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.554 10.254 -0.413 1.00 0.00 C ATOM 0 H TRP A 13 7.511 9.126 1.810 1.00 0.00 H new ATOM 0 HA TRP A 13 9.402 8.999 -0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.851 9.628 2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.586 7.958 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.614 6.289 2.245 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.048 6.506 1.404 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.300 10.984 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.588 8.448 0.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.305 11.958 -0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.418 10.707 -0.876 1.00 0.00 H new ATOM 208 N GLY A 14 8.111 6.201 0.821 1.00 0.00 N ATOM 209 CA GLY A 14 7.906 4.817 0.512 1.00 0.00 C ATOM 210 C GLY A 14 7.341 4.653 -0.869 1.00 0.00 C ATOM 211 O GLY A 14 7.724 3.759 -1.578 1.00 0.00 O ATOM 0 H GLY A 14 7.568 6.544 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.851 4.280 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.228 4.374 1.241 1.00 0.00 H new ATOM 215 N ALA A 15 6.440 5.558 -1.250 1.00 0.00 N ATOM 216 CA ALA A 15 5.838 5.549 -2.580 1.00 0.00 C ATOM 217 C ALA A 15 6.908 5.620 -3.652 1.00 0.00 C ATOM 218 O ALA A 15 6.816 4.953 -4.688 1.00 0.00 O ATOM 219 CB ALA A 15 4.878 6.715 -2.732 1.00 0.00 C ATOM 0 H ALA A 15 6.109 6.313 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 15 5.286 4.616 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.437 6.695 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.089 6.637 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.418 7.651 -2.593 1.00 0.00 H new ATOM 225 N ARG A 16 7.922 6.438 -3.401 1.00 0.00 N ATOM 226 CA ARG A 16 9.038 6.571 -4.322 1.00 0.00 C ATOM 227 C ARG A 16 9.752 5.224 -4.491 1.00 0.00 C ATOM 228 O ARG A 16 10.053 4.810 -5.610 1.00 0.00 O ATOM 229 CB ARG A 16 10.016 7.645 -3.825 1.00 0.00 C ATOM 230 CG ARG A 16 11.196 7.899 -4.760 1.00 0.00 C ATOM 231 CD ARG A 16 10.732 8.413 -6.117 1.00 0.00 C ATOM 232 NE ARG A 16 9.987 9.673 -6.003 1.00 0.00 N ATOM 233 CZ ARG A 16 9.132 10.134 -6.926 1.00 0.00 C ATOM 234 NH1 ARG A 16 8.907 9.445 -8.041 1.00 0.00 N ATOM 235 NH2 ARG A 16 8.506 11.286 -6.729 1.00 0.00 N ATOM 0 H ARG A 16 7.993 7.019 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 16 8.654 6.881 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.471 8.579 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.398 7.348 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.871 8.624 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.761 6.977 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.597 8.561 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.102 7.661 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 16 10.130 10.236 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.387 8.559 -8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.255 9.803 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.676 11.819 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.855 11.639 -7.430 1.00 0.00 H new ATOM 249 N ASP A 17 9.995 4.537 -3.374 1.00 0.00 N ATOM 250 CA ASP A 17 10.652 3.219 -3.410 1.00 0.00 C ATOM 251 C ASP A 17 9.725 2.145 -3.955 1.00 0.00 C ATOM 252 O ASP A 17 10.151 1.268 -4.707 1.00 0.00 O ATOM 253 CB ASP A 17 11.148 2.805 -2.022 1.00 0.00 C ATOM 254 CG ASP A 17 12.520 3.340 -1.712 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.459 3.055 -2.481 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.676 4.039 -0.686 1.00 0.00 O ATOM 0 H ASP A 17 9.751 4.863 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 17 11.507 3.315 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.445 3.161 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.163 1.717 -1.956 1.00 0.00 H new ATOM 261 N GLU A 18 8.463 2.226 -3.572 1.00 0.00 N ATOM 262 CA GLU A 18 7.444 1.273 -3.985 1.00 0.00 C ATOM 263 C GLU A 18 7.266 1.253 -5.490 1.00 0.00 C ATOM 264 O GLU A 18 6.871 0.238 -6.062 1.00 0.00 O ATOM 265 CB GLU A 18 6.124 1.590 -3.311 1.00 0.00 C ATOM 266 CG GLU A 18 6.060 1.177 -1.859 1.00 0.00 C ATOM 267 CD GLU A 18 5.826 -0.299 -1.688 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.844 -0.825 -2.262 1.00 0.00 O ATOM 269 OE2 GLU A 18 6.606 -0.941 -0.972 1.00 0.00 O ATOM 0 H GLU A 18 8.112 2.962 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 18 7.779 0.283 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.940 2.662 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.321 1.092 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.992 1.453 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.261 1.728 -1.363 1.00 0.00 H new ATOM 276 N TYR A 19 7.538 2.380 -6.129 1.00 0.00 N ATOM 277 CA TYR A 19 7.454 2.466 -7.573 1.00 0.00 C ATOM 278 C TYR A 19 8.407 1.457 -8.201 1.00 0.00 C ATOM 279 O TYR A 19 8.073 0.787 -9.178 1.00 0.00 O ATOM 280 CB TYR A 19 7.793 3.886 -8.042 1.00 0.00 C ATOM 281 CG TYR A 19 7.634 4.098 -9.532 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.379 4.288 -10.093 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.739 4.113 -10.377 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.225 4.486 -11.449 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.594 4.310 -11.737 1.00 0.00 C ATOM 286 CZ TYR A 19 7.334 4.496 -12.267 1.00 0.00 C ATOM 287 OH TYR A 19 7.182 4.696 -13.623 1.00 0.00 O ATOM 0 H TYR A 19 7.818 3.246 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 19 6.436 2.236 -7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.153 4.594 -7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.821 4.114 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.507 4.281 -9.456 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.726 3.968 -9.963 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.240 4.632 -11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.461 4.318 -12.381 1.00 0.00 H new ATOM 0 HH TYR A 19 8.060 4.676 -14.057 1.00 0.00 H new ATOM 297 N TRP A 20 9.584 1.346 -7.616 1.00 0.00 N ATOM 298 CA TRP A 20 10.585 0.421 -8.095 1.00 0.00 C ATOM 299 C TRP A 20 10.335 -0.975 -7.540 1.00 0.00 C ATOM 300 O TRP A 20 10.237 -1.946 -8.289 1.00 0.00 O ATOM 301 CB TRP A 20 11.986 0.919 -7.745 1.00 0.00 C ATOM 302 CG TRP A 20 12.305 2.226 -8.406 1.00 0.00 C ATOM 303 CD1 TRP A 20 12.297 3.464 -7.829 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.656 2.426 -9.779 1.00 0.00 C ATOM 305 NE1 TRP A 20 12.629 4.418 -8.761 1.00 0.00 N ATOM 306 CE2 TRP A 20 12.855 3.806 -9.964 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.827 1.567 -10.871 1.00 0.00 C ATOM 308 CZ2 TRP A 20 13.213 4.349 -11.196 1.00 0.00 C ATOM 309 CZ3 TRP A 20 13.183 2.108 -12.092 1.00 0.00 C ATOM 310 CH2 TRP A 20 13.372 3.486 -12.245 1.00 0.00 C ATOM 0 H TRP A 20 9.869 1.891 -6.802 1.00 0.00 H new ATOM 0 HA TRP A 20 10.514 0.363 -9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.070 1.031 -6.664 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.721 0.173 -8.047 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.064 3.664 -6.793 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.696 5.420 -8.585 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.684 0.502 -10.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.360 5.412 -11.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.318 1.456 -12.942 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.650 3.877 -13.213 1.00 0.00 H new ATOM 321 N LYS A 21 10.213 -1.063 -6.231 1.00 0.00 N ATOM 322 CA LYS A 21 9.954 -2.324 -5.558 1.00 0.00 C ATOM 323 C LYS A 21 8.681 -2.234 -4.750 1.00 0.00 C ATOM 324 O LYS A 21 8.659 -1.615 -3.690 1.00 0.00 O ATOM 325 CB LYS A 21 11.113 -2.699 -4.634 1.00 0.00 C ATOM 326 CG LYS A 21 12.361 -3.167 -5.350 1.00 0.00 C ATOM 327 CD LYS A 21 13.457 -3.515 -4.357 1.00 0.00 C ATOM 328 CE LYS A 21 14.591 -4.275 -5.021 1.00 0.00 C ATOM 329 NZ LYS A 21 14.149 -5.608 -5.508 1.00 0.00 N ATOM 0 H LYS A 21 10.290 -0.264 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 21 9.848 -3.095 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.365 -1.835 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.781 -3.486 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.129 -4.039 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.711 -2.387 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.845 -2.601 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.040 -4.116 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.979 -3.693 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.410 -4.400 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.978 -6.222 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.508 -6.037 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.652 -5.499 -6.415 1.00 0.00 H new ATOM 343 N CYS A 22 7.623 -2.832 -5.252 1.00 0.00 N ATOM 344 CA CYS A 22 6.356 -2.798 -4.561 1.00 0.00 C ATOM 345 C CYS A 22 6.360 -3.769 -3.378 1.00 0.00 C ATOM 346 O CYS A 22 6.974 -4.842 -3.440 1.00 0.00 O ATOM 347 CB CYS A 22 5.215 -3.125 -5.529 1.00 0.00 C ATOM 348 SG CYS A 22 5.276 -4.815 -6.223 1.00 0.00 S ATOM 0 H CYS A 22 7.616 -3.346 -6.133 1.00 0.00 H new ATOM 0 HA CYS A 22 6.200 -1.792 -4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.265 -2.992 -5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.234 -2.407 -6.349 1.00 0.00 H new ATOM 353 N LEU A 23 5.686 -3.370 -2.309 1.00 0.00 N ATOM 354 CA LEU A 23 5.585 -4.146 -1.076 1.00 0.00 C ATOM 355 C LEU A 23 6.935 -4.266 -0.384 1.00 0.00 C ATOM 356 O LEU A 23 7.213 -5.250 0.297 1.00 0.00 O ATOM 357 CB LEU A 23 4.970 -5.533 -1.304 1.00 0.00 C ATOM 358 CG LEU A 23 3.822 -5.902 -0.350 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.232 -5.716 1.098 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.586 -5.084 -0.653 1.00 0.00 C ATOM 0 H LEU A 23 5.184 -2.483 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 23 4.909 -3.596 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.602 -5.586 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.756 -6.282 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 23 3.589 -6.955 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.400 -5.985 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.087 -6.355 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.504 -4.674 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.788 -5.363 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.813 -4.024 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.266 -5.275 -1.677 1.00 0.00 H new ATOM 372 N ASP A 24 7.738 -3.236 -0.522 1.00 0.00 N ATOM 373 CA ASP A 24 9.036 -3.159 0.130 1.00 0.00 C ATOM 374 C ASP A 24 8.816 -2.946 1.617 1.00 0.00 C ATOM 375 O ASP A 24 9.714 -3.130 2.438 1.00 0.00 O ATOM 376 CB ASP A 24 9.849 -1.998 -0.455 1.00 0.00 C ATOM 377 CG ASP A 24 11.283 -1.972 0.041 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.166 -2.538 -0.654 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.545 -1.374 1.107 1.00 0.00 O ATOM 0 H ASP A 24 7.513 -2.421 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 24 9.591 -4.083 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.847 -2.072 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.364 -1.056 -0.199 1.00 0.00 H new ATOM 384 N GLU A 25 7.602 -2.544 1.942 1.00 0.00 N ATOM 385 CA GLU A 25 7.196 -2.305 3.306 1.00 0.00 C ATOM 386 C GLU A 25 7.227 -3.592 4.145 1.00 0.00 C ATOM 387 O GLU A 25 7.998 -3.709 5.084 1.00 0.00 O ATOM 388 CB GLU A 25 5.770 -1.774 3.307 1.00 0.00 C ATOM 389 CG GLU A 25 5.566 -0.503 2.508 1.00 0.00 C ATOM 390 CD GLU A 25 5.944 0.736 3.279 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.131 1.126 3.251 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.042 1.328 3.927 1.00 0.00 O ATOM 0 H GLU A 25 6.866 -2.374 1.257 1.00 0.00 H new ATOM 0 HA GLU A 25 7.892 -1.589 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.109 -2.545 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.466 -1.592 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.160 -0.553 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.521 -0.433 2.205 1.00 0.00 H new ATOM 399 N ASN A 26 6.400 -4.572 3.773 1.00 0.00 N ATOM 400 CA ASN A 26 6.264 -5.790 4.587 1.00 0.00 C ATOM 401 C ASN A 26 6.796 -7.020 3.872 1.00 0.00 C ATOM 402 O ASN A 26 7.224 -7.966 4.512 1.00 0.00 O ATOM 403 CB ASN A 26 4.785 -6.026 4.965 1.00 0.00 C ATOM 404 CG ASN A 26 4.217 -5.019 5.970 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.726 -3.799 5.963 1.00 0.00 O flip ATOM 406 ND2 ASN A 26 3.321 -5.342 6.737 1.00 0.00 N flip ATOM 0 H ASN A 26 5.824 -4.552 2.932 1.00 0.00 H new ATOM 0 HA ASN A 26 6.859 -5.634 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.182 -5.994 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.685 -7.029 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.950 -6.292 6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.944 -4.661 7.397 1.00 0.00 H new ATOM 413 N LEU A 27 6.777 -6.987 2.540 1.00 0.00 N ATOM 414 CA LEU A 27 7.236 -8.108 1.688 1.00 0.00 C ATOM 415 C LEU A 27 6.517 -9.437 1.989 1.00 0.00 C ATOM 416 O LEU A 27 6.930 -10.481 1.500 1.00 0.00 O ATOM 417 CB LEU A 27 8.757 -8.315 1.790 1.00 0.00 C ATOM 418 CG LEU A 27 9.641 -7.157 1.322 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.803 -6.134 2.426 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.995 -7.671 0.864 1.00 0.00 C ATOM 0 H LEU A 27 6.443 -6.183 2.009 1.00 0.00 H new ATOM 0 HA LEU A 27 6.978 -7.816 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.002 -8.531 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.020 -9.200 1.210 1.00 0.00 H new ATOM 0 HG LEU A 27 9.155 -6.673 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.435 -5.318 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.825 -5.742 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.266 -6.605 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.610 -6.833 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.489 -8.181 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.859 -8.368 0.037 1.00 0.00 H new ATOM 432 N GLU A 28 5.441 -9.397 2.767 1.00 0.00 N ATOM 433 CA GLU A 28 4.731 -10.621 3.119 1.00 0.00 C ATOM 434 C GLU A 28 3.887 -11.126 1.947 1.00 0.00 C ATOM 435 O GLU A 28 3.867 -12.319 1.658 1.00 0.00 O ATOM 436 CB GLU A 28 3.857 -10.410 4.358 1.00 0.00 C ATOM 437 CG GLU A 28 3.236 -11.695 4.887 1.00 0.00 C ATOM 438 CD GLU A 28 2.283 -11.464 6.037 1.00 0.00 C ATOM 439 OE1 GLU A 28 1.069 -11.388 5.795 1.00 0.00 O ATOM 440 OE2 GLU A 28 2.742 -11.383 7.195 1.00 0.00 O ATOM 0 H GLU A 28 5.046 -8.543 3.161 1.00 0.00 H new ATOM 0 HA GLU A 28 5.477 -11.381 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.459 -9.956 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.062 -9.704 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.704 -12.195 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.030 -12.369 5.210 1.00 0.00 H new ATOM 447 N ASP A 29 3.204 -10.216 1.272 1.00 0.00 N ATOM 448 CA ASP A 29 2.388 -10.577 0.126 1.00 0.00 C ATOM 449 C ASP A 29 2.581 -9.581 -0.994 1.00 0.00 C ATOM 450 O ASP A 29 1.961 -8.524 -1.028 1.00 0.00 O ATOM 451 CB ASP A 29 0.917 -10.671 0.496 1.00 0.00 C ATOM 452 CG ASP A 29 0.064 -11.099 -0.682 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.049 -12.326 -0.930 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.489 -10.216 -1.373 1.00 0.00 O ATOM 0 H ASP A 29 3.199 -9.221 1.499 1.00 0.00 H new ATOM 0 HA ASP A 29 2.712 -11.561 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.793 -11.383 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.572 -9.704 0.862 1.00 0.00 H new ATOM 459 N ALA A 30 3.477 -9.901 -1.877 1.00 0.00 N ATOM 460 CA ALA A 30 3.786 -9.036 -2.996 1.00 0.00 C ATOM 461 C ALA A 30 2.661 -9.016 -4.030 1.00 0.00 C ATOM 462 O ALA A 30 2.635 -8.166 -4.913 1.00 0.00 O ATOM 463 CB ALA A 30 5.108 -9.431 -3.627 1.00 0.00 C ATOM 0 H ALA A 30 4.019 -10.765 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 30 3.880 -8.020 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.323 -8.769 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.904 -9.348 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.049 -10.460 -3.982 1.00 0.00 H new ATOM 469 N SER A 31 1.743 -9.946 -3.911 1.00 0.00 N ATOM 470 CA SER A 31 0.627 -10.047 -4.831 1.00 0.00 C ATOM 471 C SER A 31 -0.226 -8.766 -4.811 1.00 0.00 C ATOM 472 O SER A 31 -0.564 -8.211 -5.861 1.00 0.00 O ATOM 473 CB SER A 31 -0.225 -11.249 -4.451 1.00 0.00 C ATOM 474 OG SER A 31 0.568 -12.421 -4.348 1.00 0.00 O ATOM 0 H SER A 31 1.745 -10.654 -3.177 1.00 0.00 H new ATOM 0 HA SER A 31 1.015 -10.173 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.725 -11.059 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.005 -11.397 -5.198 1.00 0.00 H new ATOM 0 HG SER A 31 -0.001 -13.180 -4.101 1.00 0.00 H new ATOM 480 N GLN A 32 -0.517 -8.279 -3.617 1.00 0.00 N ATOM 481 CA GLN A 32 -1.370 -7.106 -3.446 1.00 0.00 C ATOM 482 C GLN A 32 -0.583 -5.811 -3.558 1.00 0.00 C ATOM 483 O GLN A 32 -1.142 -4.720 -3.406 1.00 0.00 O ATOM 484 CB GLN A 32 -2.089 -7.165 -2.097 1.00 0.00 C ATOM 485 CG GLN A 32 -3.172 -8.227 -2.027 1.00 0.00 C ATOM 486 CD GLN A 32 -4.373 -7.885 -2.885 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.428 -8.227 -4.064 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.343 -7.213 -2.298 1.00 0.00 N ATOM 0 H GLN A 32 -0.174 -8.678 -2.743 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.106 -7.118 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.356 -7.354 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.533 -6.192 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.760 -9.184 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.491 -8.349 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.258 -6.948 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.178 -6.958 -2.825 1.00 0.00 H new ATOM 497 N CYS A 33 0.708 -5.924 -3.841 1.00 0.00 N ATOM 498 CA CYS A 33 1.574 -4.756 -3.925 1.00 0.00 C ATOM 499 C CYS A 33 1.103 -3.799 -4.995 1.00 0.00 C ATOM 500 O CYS A 33 1.198 -2.599 -4.833 1.00 0.00 O ATOM 501 CB CYS A 33 3.019 -5.159 -4.198 1.00 0.00 C ATOM 502 SG CYS A 33 3.392 -5.526 -5.952 1.00 0.00 S ATOM 0 H CYS A 33 1.178 -6.812 -4.016 1.00 0.00 H new ATOM 0 HA CYS A 33 1.526 -4.252 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.676 -4.357 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.256 -6.038 -3.599 1.00 0.00 H new ATOM 507 N LYS A 34 0.576 -4.343 -6.079 1.00 0.00 N ATOM 508 CA LYS A 34 0.114 -3.535 -7.193 1.00 0.00 C ATOM 509 C LYS A 34 -0.948 -2.532 -6.747 1.00 0.00 C ATOM 510 O LYS A 34 -0.935 -1.372 -7.164 1.00 0.00 O ATOM 511 CB LYS A 34 -0.426 -4.435 -8.306 1.00 0.00 C ATOM 512 CG LYS A 34 0.631 -5.364 -8.890 1.00 0.00 C ATOM 513 CD LYS A 34 0.074 -6.227 -10.016 1.00 0.00 C ATOM 514 CE LYS A 34 -0.909 -7.275 -9.508 1.00 0.00 C ATOM 515 NZ LYS A 34 -0.264 -8.247 -8.587 1.00 0.00 N ATOM 0 H LYS A 34 0.457 -5.347 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 34 0.962 -2.968 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.250 -5.032 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.834 -3.813 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.466 -4.772 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.025 -6.006 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.423 -5.590 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.896 -6.723 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.732 -6.780 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.339 -7.809 -10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.562 -9.212 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.770 -8.172 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.548 -8.039 -7.608 1.00 0.00 H new ATOM 529 N LYS A 35 -1.835 -2.975 -5.877 1.00 0.00 N ATOM 530 CA LYS A 35 -2.905 -2.128 -5.379 1.00 0.00 C ATOM 531 C LYS A 35 -2.371 -1.126 -4.367 1.00 0.00 C ATOM 532 O LYS A 35 -2.534 0.087 -4.532 1.00 0.00 O ATOM 533 CB LYS A 35 -4.000 -2.986 -4.738 1.00 0.00 C ATOM 534 CG LYS A 35 -4.590 -4.060 -5.654 1.00 0.00 C ATOM 535 CD LYS A 35 -5.669 -3.509 -6.591 1.00 0.00 C ATOM 536 CE LYS A 35 -5.100 -2.678 -7.738 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.138 -2.325 -8.733 1.00 0.00 N ATOM 0 H LYS A 35 -1.836 -3.922 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.328 -1.578 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.591 -3.469 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.805 -2.332 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.791 -4.504 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.016 -4.857 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.243 -4.339 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.363 -2.896 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.654 -1.767 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.302 -3.235 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.711 -1.761 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.546 -3.194 -9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.888 -1.771 -8.271 1.00 0.00 H new ATOM 551 N LEU A 36 -1.722 -1.646 -3.335 1.00 0.00 N ATOM 552 CA LEU A 36 -1.160 -0.822 -2.259 1.00 0.00 C ATOM 553 C LEU A 36 -0.198 0.239 -2.815 1.00 0.00 C ATOM 554 O LEU A 36 -0.291 1.419 -2.471 1.00 0.00 O ATOM 555 CB LEU A 36 -0.443 -1.720 -1.235 1.00 0.00 C ATOM 556 CG LEU A 36 -1.320 -2.798 -0.572 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.475 -3.740 0.248 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.382 -2.168 0.300 1.00 0.00 C ATOM 0 H LEU A 36 -1.567 -2.647 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.977 -0.298 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.394 -2.212 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.023 -1.087 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.811 -3.363 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.113 -4.494 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.256 -4.228 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.044 -3.180 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.988 -2.950 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.907 -1.574 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.018 -1.525 -0.308 1.00 0.00 H new ATOM 570 N ARG A 37 0.711 -0.187 -3.691 1.00 0.00 N ATOM 571 CA ARG A 37 1.674 0.723 -4.302 1.00 0.00 C ATOM 572 C ARG A 37 0.968 1.781 -5.145 1.00 0.00 C ATOM 573 O ARG A 37 1.383 2.942 -5.172 1.00 0.00 O ATOM 574 CB ARG A 37 2.678 -0.060 -5.152 1.00 0.00 C ATOM 575 CG ARG A 37 3.831 0.767 -5.687 1.00 0.00 C ATOM 576 CD ARG A 37 3.548 1.361 -7.055 1.00 0.00 C ATOM 577 NE ARG A 37 3.179 0.345 -8.045 1.00 0.00 N ATOM 578 CZ ARG A 37 4.029 -0.535 -8.597 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.301 -0.593 -8.204 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.594 -1.366 -9.532 1.00 0.00 N ATOM 0 H ARG A 37 0.799 -1.157 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 37 2.214 1.234 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.081 -0.878 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.150 -0.510 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.050 1.572 -4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.723 0.143 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.742 2.090 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.430 1.899 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 37 2.202 0.304 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.639 0.036 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.937 -1.266 -8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.619 -1.335 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.234 -2.037 -9.956 1.00 0.00 H new ATOM 594 N SER A 38 -0.092 1.376 -5.836 1.00 0.00 N ATOM 595 CA SER A 38 -0.866 2.300 -6.654 1.00 0.00 C ATOM 596 C SER A 38 -1.411 3.445 -5.798 1.00 0.00 C ATOM 597 O SER A 38 -1.497 4.587 -6.254 1.00 0.00 O ATOM 598 CB SER A 38 -2.014 1.565 -7.359 1.00 0.00 C ATOM 599 OG SER A 38 -2.736 2.432 -8.227 1.00 0.00 O ATOM 0 H SER A 38 -0.434 0.415 -5.845 1.00 0.00 H new ATOM 0 HA SER A 38 -0.207 2.719 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.614 0.727 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.692 1.148 -6.614 1.00 0.00 H new ATOM 0 HG SER A 38 -3.459 1.933 -8.661 1.00 0.00 H new ATOM 605 N SER A 39 -1.770 3.135 -4.559 1.00 0.00 N ATOM 606 CA SER A 39 -2.264 4.140 -3.635 1.00 0.00 C ATOM 607 C SER A 39 -1.145 5.085 -3.247 1.00 0.00 C ATOM 608 O SER A 39 -1.326 6.298 -3.214 1.00 0.00 O ATOM 609 CB SER A 39 -2.801 3.470 -2.390 1.00 0.00 C ATOM 610 OG SER A 39 -3.557 2.339 -2.728 1.00 0.00 O ATOM 0 H SER A 39 -1.727 2.192 -4.173 1.00 0.00 H new ATOM 0 HA SER A 39 -3.060 4.703 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.975 3.181 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.418 4.172 -1.829 1.00 0.00 H new ATOM 0 HG SER A 39 -3.454 1.657 -2.032 1.00 0.00 H new ATOM 616 N PHE A 40 0.012 4.512 -2.964 1.00 0.00 N ATOM 617 CA PHE A 40 1.180 5.270 -2.580 1.00 0.00 C ATOM 618 C PHE A 40 1.545 6.307 -3.639 1.00 0.00 C ATOM 619 O PHE A 40 1.717 7.486 -3.337 1.00 0.00 O ATOM 620 CB PHE A 40 2.350 4.322 -2.346 1.00 0.00 C ATOM 621 CG PHE A 40 2.427 3.769 -0.949 1.00 0.00 C ATOM 622 CD1 PHE A 40 1.341 3.134 -0.373 1.00 0.00 C ATOM 623 CD2 PHE A 40 3.596 3.885 -0.215 1.00 0.00 C ATOM 624 CE1 PHE A 40 1.419 2.627 0.907 1.00 0.00 C ATOM 625 CE2 PHE A 40 3.680 3.381 1.065 1.00 0.00 C ATOM 626 CZ PHE A 40 2.592 2.753 1.627 1.00 0.00 C ATOM 0 H PHE A 40 0.164 3.504 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 40 0.953 5.805 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.277 3.493 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.279 4.848 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.422 3.034 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.453 4.377 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.565 2.132 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.598 3.479 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.655 2.359 2.630 1.00 0.00 H new ATOM 636 N GLU A 41 1.636 5.868 -4.881 1.00 0.00 N ATOM 637 CA GLU A 41 2.012 6.756 -5.974 1.00 0.00 C ATOM 638 C GLU A 41 0.844 7.626 -6.426 1.00 0.00 C ATOM 639 O GLU A 41 1.007 8.478 -7.302 1.00 0.00 O ATOM 640 CB GLU A 41 2.546 5.971 -7.163 1.00 0.00 C ATOM 641 CG GLU A 41 1.518 5.059 -7.811 1.00 0.00 C ATOM 642 CD GLU A 41 1.991 4.495 -9.128 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.879 5.201 -10.157 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.463 3.351 -9.151 1.00 0.00 O ATOM 0 H GLU A 41 1.456 4.904 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 41 2.799 7.405 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.918 6.671 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.396 5.371 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.285 4.239 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.593 5.614 -7.969 1.00 0.00 H new ATOM 651 N SER A 42 -0.326 7.403 -5.842 1.00 0.00 N ATOM 652 CA SER A 42 -1.520 8.137 -6.230 1.00 0.00 C ATOM 653 C SER A 42 -1.325 9.632 -6.012 1.00 0.00 C ATOM 654 O SER A 42 -1.740 10.447 -6.840 1.00 0.00 O ATOM 655 CB SER A 42 -2.748 7.631 -5.454 1.00 0.00 C ATOM 656 OG SER A 42 -3.954 8.196 -5.949 1.00 0.00 O ATOM 0 H SER A 42 -0.472 6.720 -5.099 1.00 0.00 H new ATOM 0 HA SER A 42 -1.695 7.965 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.800 6.544 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.638 7.877 -4.398 1.00 0.00 H new ATOM 0 HG SER A 42 -4.606 7.483 -6.114 1.00 0.00 H new ATOM 662 N SER A 43 -0.686 9.994 -4.910 1.00 0.00 N ATOM 663 CA SER A 43 -0.436 11.392 -4.627 1.00 0.00 C ATOM 664 C SER A 43 0.841 11.581 -3.796 1.00 0.00 C ATOM 665 O SER A 43 1.917 11.803 -4.352 1.00 0.00 O ATOM 666 CB SER A 43 -1.654 12.031 -3.934 1.00 0.00 C ATOM 667 OG SER A 43 -1.472 13.426 -3.745 1.00 0.00 O ATOM 0 H SER A 43 -0.336 9.344 -4.206 1.00 0.00 H new ATOM 0 HA SER A 43 -0.279 11.902 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.548 11.857 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.819 11.550 -2.970 1.00 0.00 H new ATOM 0 HG SER A 43 -2.263 13.802 -3.305 1.00 0.00 H new ATOM 673 N CYS A 44 0.713 11.442 -2.469 1.00 0.00 N ATOM 674 CA CYS A 44 1.822 11.647 -1.518 1.00 0.00 C ATOM 675 C CYS A 44 1.286 11.707 -0.068 1.00 0.00 C ATOM 676 O CYS A 44 1.781 10.990 0.802 1.00 0.00 O ATOM 677 CB CYS A 44 2.630 12.929 -1.846 1.00 0.00 C ATOM 678 SG CYS A 44 3.946 13.349 -0.644 1.00 0.00 S ATOM 0 H CYS A 44 -0.166 11.183 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 44 2.497 10.797 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.083 12.812 -2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.938 13.769 -1.911 1.00 0.00 H new ATOM 683 N PRO A 45 0.259 12.578 0.222 1.00 0.00 N ATOM 684 CA PRO A 45 -0.351 12.654 1.558 1.00 0.00 C ATOM 685 C PRO A 45 -1.056 11.352 1.934 1.00 0.00 C ATOM 686 O PRO A 45 -1.752 10.746 1.107 1.00 0.00 O ATOM 687 CB PRO A 45 -1.370 13.798 1.434 1.00 0.00 C ATOM 688 CG PRO A 45 -1.639 13.909 -0.024 1.00 0.00 C ATOM 689 CD PRO A 45 -0.353 13.556 -0.702 1.00 0.00 C ATOM 0 HA PRO A 45 0.393 12.821 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.282 13.578 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.970 14.729 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.439 13.234 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.956 14.918 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.523 13.126 -1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.282 14.431 -0.841 1.00 0.00 H new ATOM 697 N GLN A 46 -0.898 10.942 3.180 1.00 0.00 N ATOM 698 CA GLN A 46 -1.452 9.676 3.652 1.00 0.00 C ATOM 699 C GLN A 46 -2.970 9.713 3.732 1.00 0.00 C ATOM 700 O GLN A 46 -3.615 8.669 3.676 1.00 0.00 O ATOM 701 CB GLN A 46 -0.863 9.308 5.012 1.00 0.00 C ATOM 702 CG GLN A 46 -1.259 7.931 5.510 1.00 0.00 C ATOM 703 CD GLN A 46 -0.638 7.599 6.851 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.394 8.485 7.677 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.378 6.328 7.077 1.00 0.00 N ATOM 0 H GLN A 46 -0.388 11.468 3.890 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.178 8.912 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.224 9.361 4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.178 10.051 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.345 7.876 5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.957 7.182 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.596 5.629 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.041 6.043 7.962 1.00 0.00 H new ATOM 714 N GLN A 47 -3.534 10.912 3.852 1.00 0.00 N ATOM 715 CA GLN A 47 -4.982 11.061 3.945 1.00 0.00 C ATOM 716 C GLN A 47 -5.674 10.364 2.778 1.00 0.00 C ATOM 717 O GLN A 47 -6.424 9.420 2.975 1.00 0.00 O ATOM 718 CB GLN A 47 -5.386 12.534 3.998 1.00 0.00 C ATOM 719 CG GLN A 47 -6.887 12.744 4.136 1.00 0.00 C ATOM 720 CD GLN A 47 -7.287 14.204 4.119 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.529 15.076 4.546 1.00 0.00 O ATOM 722 NE2 GLN A 47 -8.478 14.479 3.628 1.00 0.00 N ATOM 0 H GLN A 47 -3.014 11.789 3.887 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.303 10.588 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.881 13.012 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.039 13.031 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.397 12.225 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.227 12.291 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.074 13.726 3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.804 15.445 3.591 1.00 0.00 H new ATOM 731 N TRP A 48 -5.400 10.828 1.562 1.00 0.00 N ATOM 732 CA TRP A 48 -5.986 10.225 0.371 1.00 0.00 C ATOM 733 C TRP A 48 -5.452 8.816 0.147 1.00 0.00 C ATOM 734 O TRP A 48 -6.220 7.895 -0.132 1.00 0.00 O ATOM 735 CB TRP A 48 -5.714 11.088 -0.870 1.00 0.00 C ATOM 736 CG TRP A 48 -6.134 10.435 -2.162 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.382 9.597 -2.937 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.398 10.560 -2.822 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.094 9.201 -4.036 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.338 9.777 -3.991 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.576 11.258 -2.540 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.408 9.673 -4.875 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.636 11.153 -3.418 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.546 10.366 -4.571 1.00 0.00 C ATOM 0 H TRP A 48 -4.779 11.616 1.377 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.063 10.166 0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.239 12.037 -0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.649 11.317 -0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.371 9.291 -2.714 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.755 8.579 -4.770 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.655 11.868 -1.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.342 9.068 -5.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.551 11.688 -3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.395 10.305 -5.236 1.00 0.00 H new ATOM 755 N ILE A 49 -4.134 8.655 0.279 1.00 0.00 N ATOM 756 CA ILE A 49 -3.486 7.369 0.035 1.00 0.00 C ATOM 757 C ILE A 49 -4.115 6.260 0.844 1.00 0.00 C ATOM 758 O ILE A 49 -4.590 5.281 0.287 1.00 0.00 O ATOM 759 CB ILE A 49 -1.964 7.425 0.322 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.268 8.272 -0.750 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.357 6.012 0.393 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.218 8.427 -0.546 1.00 0.00 C ATOM 0 H ILE A 49 -3.495 9.401 0.554 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.631 7.152 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.809 7.891 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.444 7.819 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.726 9.261 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.288 6.085 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.840 5.448 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.512 5.501 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.633 9.039 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.405 8.909 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.691 7.445 -0.557 1.00 0.00 H new ATOM 774 N LYS A 50 -4.154 6.422 2.150 1.00 0.00 N ATOM 775 CA LYS A 50 -4.695 5.387 2.991 1.00 0.00 C ATOM 776 C LYS A 50 -6.210 5.323 2.926 1.00 0.00 C ATOM 777 O LYS A 50 -6.793 4.275 3.177 1.00 0.00 O ATOM 778 CB LYS A 50 -4.190 5.496 4.429 1.00 0.00 C ATOM 779 CG LYS A 50 -2.767 4.972 4.615 1.00 0.00 C ATOM 780 CD LYS A 50 -2.577 3.578 4.007 1.00 0.00 C ATOM 781 CE LYS A 50 -3.604 2.580 4.530 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.432 1.244 3.917 1.00 0.00 N ATOM 0 H LYS A 50 -3.821 7.251 2.643 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.326 4.441 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.228 6.540 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.862 4.942 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.064 5.666 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.531 4.937 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.655 3.643 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.574 3.218 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.512 2.498 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.608 2.949 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.833 0.519 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.922 1.217 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.419 1.056 3.774 1.00 0.00 H new ATOM 796 N TYR A 51 -6.850 6.430 2.575 1.00 0.00 N ATOM 797 CA TYR A 51 -8.307 6.443 2.433 1.00 0.00 C ATOM 798 C TYR A 51 -8.726 5.574 1.247 1.00 0.00 C ATOM 799 O TYR A 51 -9.611 4.720 1.364 1.00 0.00 O ATOM 800 CB TYR A 51 -8.827 7.870 2.241 1.00 0.00 C ATOM 801 CG TYR A 51 -10.335 7.973 2.195 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.082 7.949 3.361 1.00 0.00 C ATOM 803 CD2 TYR A 51 -11.012 8.096 0.985 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.455 8.042 3.332 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.390 8.189 0.946 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.104 8.161 2.124 1.00 0.00 C ATOM 807 OH TYR A 51 -14.479 8.257 2.097 1.00 0.00 O ATOM 0 H TYR A 51 -6.394 7.322 2.385 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.741 6.039 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.455 8.494 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.417 8.274 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.577 7.856 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.451 8.119 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.020 8.022 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.903 8.283 0.000 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.783 8.336 1.169 1.00 0.00 H new ATOM 817 N PHE A 52 -8.072 5.794 0.113 1.00 0.00 N ATOM 818 CA PHE A 52 -8.343 5.042 -1.102 1.00 0.00 C ATOM 819 C PHE A 52 -7.844 3.602 -0.973 1.00 0.00 C ATOM 820 O PHE A 52 -8.474 2.659 -1.468 1.00 0.00 O ATOM 821 CB PHE A 52 -7.660 5.742 -2.295 1.00 0.00 C ATOM 822 CG PHE A 52 -7.666 4.958 -3.581 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.771 4.969 -4.413 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.555 4.218 -3.959 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.771 4.255 -5.597 1.00 0.00 C ATOM 826 CE2 PHE A 52 -6.551 3.502 -5.140 1.00 0.00 C ATOM 827 CZ PHE A 52 -7.660 3.521 -5.961 1.00 0.00 C ATOM 0 H PHE A 52 -7.341 6.498 0.012 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.420 5.009 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.154 6.698 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.627 5.961 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.643 5.542 -4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.683 4.202 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.641 4.272 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.681 2.928 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.659 2.963 -6.886 1.00 0.00 H new ATOM 837 N ASP A 53 -6.727 3.445 -0.292 1.00 0.00 N ATOM 838 CA ASP A 53 -6.076 2.147 -0.150 1.00 0.00 C ATOM 839 C ASP A 53 -6.795 1.228 0.828 1.00 0.00 C ATOM 840 O ASP A 53 -6.840 0.015 0.617 1.00 0.00 O ATOM 841 CB ASP A 53 -4.641 2.337 0.303 1.00 0.00 C ATOM 842 CG ASP A 53 -3.868 1.056 0.306 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.761 0.434 -0.776 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.353 0.678 1.381 1.00 0.00 O ATOM 0 H ASP A 53 -6.241 4.208 0.180 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.108 1.670 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.148 3.054 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.633 2.765 1.305 1.00 0.00 H new ATOM 849 N LYS A 54 -7.380 1.811 1.876 1.00 0.00 N ATOM 850 CA LYS A 54 -8.032 1.044 2.957 1.00 0.00 C ATOM 851 C LYS A 54 -9.029 0.008 2.428 1.00 0.00 C ATOM 852 O LYS A 54 -9.263 -1.021 3.064 1.00 0.00 O ATOM 853 CB LYS A 54 -8.741 1.989 3.932 1.00 0.00 C ATOM 854 CG LYS A 54 -9.309 1.288 5.152 1.00 0.00 C ATOM 855 CD LYS A 54 -9.964 2.260 6.109 1.00 0.00 C ATOM 856 CE LYS A 54 -10.360 1.566 7.400 1.00 0.00 C ATOM 857 NZ LYS A 54 -9.182 0.988 8.099 1.00 0.00 N ATOM 0 H LYS A 54 -7.419 2.822 2.006 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.241 0.503 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.038 2.756 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.549 2.500 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.039 0.543 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.511 0.753 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.279 3.079 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.846 2.698 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.860 2.278 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.078 0.775 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.404 0.862 9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.946 0.067 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.370 1.631 8.001 1.00 0.00 H new ATOM 871 N ARG A 55 -9.597 0.278 1.270 1.00 0.00 N ATOM 872 CA ARG A 55 -10.569 -0.616 0.669 1.00 0.00 C ATOM 873 C ARG A 55 -9.972 -2.008 0.407 1.00 0.00 C ATOM 874 O ARG A 55 -10.541 -3.018 0.808 1.00 0.00 O ATOM 875 CB ARG A 55 -11.104 -0.018 -0.636 1.00 0.00 C ATOM 876 CG ARG A 55 -11.793 1.334 -0.468 1.00 0.00 C ATOM 877 CD ARG A 55 -12.978 1.251 0.487 1.00 0.00 C ATOM 878 NE ARG A 55 -13.964 0.251 0.062 1.00 0.00 N ATOM 879 CZ ARG A 55 -15.045 -0.090 0.770 1.00 0.00 C ATOM 880 NH1 ARG A 55 -15.289 0.488 1.944 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.878 -1.011 0.302 1.00 0.00 N ATOM 0 H ARG A 55 -9.401 1.116 0.722 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.392 -0.733 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.277 0.093 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.809 -0.720 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.075 2.064 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.134 1.692 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.620 1.004 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.458 2.227 0.553 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.815 -0.215 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.650 1.195 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.115 0.224 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.693 -1.457 -0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.704 -1.273 0.841 1.00 0.00 H new ATOM 895 N ARG A 56 -8.832 -2.049 -0.273 1.00 0.00 N ATOM 896 CA ARG A 56 -8.188 -3.325 -0.633 1.00 0.00 C ATOM 897 C ARG A 56 -6.922 -3.564 0.197 1.00 0.00 C ATOM 898 O ARG A 56 -6.115 -4.436 -0.133 1.00 0.00 O ATOM 899 CB ARG A 56 -7.823 -3.321 -2.112 1.00 0.00 C ATOM 900 CG ARG A 56 -8.819 -2.586 -2.987 1.00 0.00 C ATOM 901 CD ARG A 56 -8.092 -1.701 -3.974 1.00 0.00 C ATOM 902 NE ARG A 56 -7.004 -0.967 -3.319 1.00 0.00 N ATOM 903 CZ ARG A 56 -6.152 -0.166 -3.938 1.00 0.00 C ATOM 904 NH1 ARG A 56 -6.285 0.083 -5.237 1.00 0.00 N ATOM 905 NH2 ARG A 56 -5.169 0.387 -3.258 1.00 0.00 N ATOM 0 H ARG A 56 -8.329 -1.220 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.896 -4.127 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.841 -2.864 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.740 -4.351 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.443 -3.302 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.483 -1.983 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.689 -2.308 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.793 -0.996 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.896 -1.083 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.047 -0.344 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.625 0.701 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.068 0.197 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.508 1.006 -3.728 1.00 0.00 H new ATOM 919 N ASP A 57 -6.752 -2.772 1.250 1.00 0.00 N ATOM 920 CA ASP A 57 -5.559 -2.837 2.112 1.00 0.00 C ATOM 921 C ASP A 57 -5.300 -4.257 2.595 1.00 0.00 C ATOM 922 O ASP A 57 -6.172 -4.886 3.201 1.00 0.00 O ATOM 923 CB ASP A 57 -5.731 -1.900 3.311 1.00 0.00 C ATOM 924 CG ASP A 57 -4.489 -1.774 4.178 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.473 -0.879 5.061 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.522 -2.542 3.989 1.00 0.00 O ATOM 0 H ASP A 57 -7.430 -2.066 1.536 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.699 -2.520 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.011 -0.911 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.556 -2.260 3.926 1.00 0.00 H new ATOM 931 N TYR A 58 -4.110 -4.763 2.303 1.00 0.00 N ATOM 932 CA TYR A 58 -3.745 -6.101 2.700 1.00 0.00 C ATOM 933 C TYR A 58 -2.569 -6.091 3.679 1.00 0.00 C ATOM 934 O TYR A 58 -2.712 -6.467 4.830 1.00 0.00 O ATOM 935 CB TYR A 58 -3.385 -6.917 1.466 1.00 0.00 C ATOM 936 CG TYR A 58 -3.430 -8.419 1.672 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.515 -9.161 1.230 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.392 -9.089 2.300 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.560 -10.529 1.405 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.429 -10.453 2.482 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.516 -11.171 2.032 1.00 0.00 C ATOM 942 OH TYR A 58 -3.557 -12.535 2.208 1.00 0.00 O ATOM 0 H TYR A 58 -3.385 -4.260 1.791 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.598 -6.553 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.068 -6.653 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.383 -6.637 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.338 -8.660 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.538 -8.530 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.410 -11.093 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.611 -10.958 2.975 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.743 -12.830 2.666 1.00 0.00 H new ATOM 952 N LEU A 59 -1.404 -5.649 3.201 1.00 0.00 N ATOM 953 CA LEU A 59 -0.189 -5.637 4.019 1.00 0.00 C ATOM 954 C LEU A 59 -0.134 -4.446 4.969 1.00 0.00 C ATOM 955 O LEU A 59 0.324 -4.572 6.101 1.00 0.00 O ATOM 956 CB LEU A 59 1.079 -5.682 3.147 1.00 0.00 C ATOM 957 CG LEU A 59 1.375 -7.012 2.420 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.217 -8.195 3.356 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.515 -7.175 1.174 1.00 0.00 C ATOM 0 H LEU A 59 -1.276 -5.295 2.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.226 -6.540 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.004 -4.894 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.935 -5.442 3.778 1.00 0.00 H new ATOM 0 HG LEU A 59 2.415 -6.981 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.432 -9.117 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.910 -8.093 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.195 -8.226 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.752 -8.122 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.538 -7.164 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.715 -6.355 0.484 1.00 0.00 H new ATOM 971 N LYS A 60 -0.599 -3.293 4.509 1.00 0.00 N ATOM 972 CA LYS A 60 -0.565 -2.075 5.326 1.00 0.00 C ATOM 973 C LYS A 60 -1.383 -2.253 6.616 1.00 0.00 C ATOM 974 O LYS A 60 -1.011 -1.735 7.667 1.00 0.00 O ATOM 975 CB LYS A 60 -1.081 -0.863 4.521 1.00 0.00 C ATOM 976 CG LYS A 60 -0.067 0.278 4.281 1.00 0.00 C ATOM 977 CD LYS A 60 0.990 -0.076 3.227 1.00 0.00 C ATOM 978 CE LYS A 60 2.118 -0.925 3.788 1.00 0.00 C ATOM 979 NZ LYS A 60 2.937 -0.176 4.787 1.00 0.00 N ATOM 0 H LYS A 60 -1.003 -3.169 3.581 1.00 0.00 H new ATOM 0 HA LYS A 60 0.472 -1.887 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.432 -1.219 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.945 -0.450 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.603 1.173 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.430 0.519 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.513 -0.610 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.404 0.843 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.702 -1.817 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.759 -1.261 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.211 -0.815 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.792 0.196 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.379 0.613 5.171 1.00 0.00 H new ATOM 993 N PHE A 61 -2.494 -2.978 6.530 1.00 0.00 N ATOM 994 CA PHE A 61 -3.327 -3.232 7.706 1.00 0.00 C ATOM 995 C PHE A 61 -2.962 -4.572 8.360 1.00 0.00 C ATOM 996 O PHE A 61 -3.315 -4.825 9.513 1.00 0.00 O ATOM 997 CB PHE A 61 -4.830 -3.189 7.337 1.00 0.00 C ATOM 998 CG PHE A 61 -5.506 -4.540 7.222 1.00 0.00 C ATOM 999 CD1 PHE A 61 -6.320 -5.003 8.247 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.331 -5.339 6.101 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.943 -6.231 8.156 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.954 -6.569 6.007 1.00 0.00 C ATOM 1003 CZ PHE A 61 -6.760 -7.013 7.038 1.00 0.00 C ATOM 0 H PHE A 61 -2.838 -3.398 5.667 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.134 -2.441 8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.355 -2.601 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.940 -2.664 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.468 -4.394 9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.701 -4.996 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.574 -6.578 8.961 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.811 -7.182 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.247 -7.974 6.967 1.00 0.00 H new