USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 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= -0.895 K(o=-0.9,f=-1.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.14) USER MOD Single : A 26 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.081) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.43 F(o=-2.2!,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 91:sc= 1.24 USER MOD Single : A 39 SER OG : rot 144:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -2:sc= 0.147 USER MOD Single : A 46 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.87) USER MOD Single : A 47 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.802 (180deg=0.701) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 125:sc= -0.0378 (180deg=-0.392) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -1.59! (180deg=-2.63!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.656 11.418 6.200 1.00 0.00 N ATOM 118 CA ARG A 9 7.051 11.104 5.999 1.00 0.00 C ATOM 119 C ARG A 9 7.211 9.721 5.375 1.00 0.00 C ATOM 120 O ARG A 9 7.752 9.586 4.276 1.00 0.00 O ATOM 121 CB ARG A 9 7.784 11.143 7.336 1.00 0.00 C ATOM 122 CG ARG A 9 9.298 11.022 7.229 1.00 0.00 C ATOM 123 CD ARG A 9 9.953 12.369 6.955 1.00 0.00 C ATOM 124 NE ARG A 9 9.654 12.899 5.620 1.00 0.00 N ATOM 125 CZ ARG A 9 9.118 14.103 5.392 1.00 0.00 C ATOM 126 NH1 ARG A 9 8.699 14.853 6.407 1.00 0.00 N ATOM 127 NH2 ARG A 9 8.982 14.544 4.148 1.00 0.00 N ATOM 0 HA ARG A 9 7.476 11.845 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.542 12.078 7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.411 10.334 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.696 10.605 8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.552 10.325 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.621 13.086 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.033 12.269 7.065 1.00 0.00 H new ATOM 0 HE ARG A 9 9.869 12.312 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.786 14.511 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.291 15.771 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.286 13.965 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.573 15.462 3.974 1.00 0.00 H new ATOM 141 N GLN A 10 6.708 8.711 6.072 1.00 0.00 N ATOM 142 CA GLN A 10 6.863 7.323 5.659 1.00 0.00 C ATOM 143 C GLN A 10 6.083 7.030 4.395 1.00 0.00 C ATOM 144 O GLN A 10 6.632 6.543 3.435 1.00 0.00 O ATOM 145 CB GLN A 10 6.422 6.374 6.796 1.00 0.00 C ATOM 146 CG GLN A 10 6.743 4.892 6.567 1.00 0.00 C ATOM 147 CD GLN A 10 5.790 4.182 5.610 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.607 4.505 5.533 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.309 3.215 4.876 1.00 0.00 N ATOM 0 H GLN A 10 6.182 8.830 6.938 1.00 0.00 H new ATOM 0 HA GLN A 10 7.918 7.154 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.900 6.695 7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.347 6.479 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.758 4.808 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.726 4.376 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.296 2.977 4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.722 2.706 4.215 1.00 0.00 H new ATOM 158 N VAL A 11 4.809 7.341 4.411 1.00 0.00 N ATOM 159 CA VAL A 11 3.917 7.040 3.293 1.00 0.00 C ATOM 160 C VAL A 11 4.395 7.627 1.958 1.00 0.00 C ATOM 161 O VAL A 11 4.426 6.928 0.947 1.00 0.00 O ATOM 162 CB VAL A 11 2.481 7.504 3.601 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.582 7.383 2.380 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.927 6.690 4.754 1.00 0.00 C ATOM 0 H VAL A 11 4.352 7.809 5.194 1.00 0.00 H new ATOM 0 HA VAL A 11 3.930 5.956 3.177 1.00 0.00 H new ATOM 0 HB VAL A 11 2.509 8.558 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.577 7.719 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.978 8.000 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.546 6.343 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.911 7.016 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.919 5.634 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.553 6.834 5.635 1.00 0.00 H new ATOM 174 N CYS A 12 4.784 8.883 1.959 1.00 0.00 N ATOM 175 CA CYS A 12 5.208 9.538 0.722 1.00 0.00 C ATOM 176 C CYS A 12 6.539 8.958 0.214 1.00 0.00 C ATOM 177 O CYS A 12 6.665 8.578 -0.967 1.00 0.00 O ATOM 178 CB CYS A 12 5.323 11.047 0.928 1.00 0.00 C ATOM 179 SG CYS A 12 5.523 12.005 -0.608 1.00 0.00 S ATOM 0 H CYS A 12 4.819 9.474 2.790 1.00 0.00 H new ATOM 0 HA CYS A 12 4.449 9.348 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.432 11.399 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.173 11.248 1.580 1.00 0.00 H new ATOM 184 N TRP A 13 7.521 8.875 1.104 1.00 0.00 N ATOM 185 CA TRP A 13 8.828 8.343 0.750 1.00 0.00 C ATOM 186 C TRP A 13 8.729 6.856 0.433 1.00 0.00 C ATOM 187 O TRP A 13 9.338 6.368 -0.523 1.00 0.00 O ATOM 188 CB TRP A 13 9.824 8.585 1.888 1.00 0.00 C ATOM 189 CG TRP A 13 11.155 7.944 1.664 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.078 8.283 0.719 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.715 6.850 2.399 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.174 7.470 0.822 1.00 0.00 N ATOM 193 CE2 TRP A 13 12.977 6.581 1.844 1.00 0.00 C ATOM 194 CE3 TRP A 13 11.270 6.073 3.473 1.00 0.00 C ATOM 195 CZ2 TRP A 13 13.801 5.568 2.325 1.00 0.00 C ATOM 196 CZ3 TRP A 13 12.089 5.068 3.950 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.341 4.824 3.377 1.00 0.00 C ATOM 0 H TRP A 13 7.435 9.170 2.077 1.00 0.00 H new ATOM 0 HA TRP A 13 9.186 8.860 -0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.964 9.658 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.400 8.206 2.818 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.961 9.076 -0.004 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.005 7.519 0.232 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.304 6.255 3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.768 5.376 1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.757 4.461 4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 13 13.958 4.031 3.773 1.00 0.00 H new ATOM 208 N GLY A 14 7.944 6.156 1.232 1.00 0.00 N ATOM 209 CA GLY A 14 7.740 4.742 1.047 1.00 0.00 C ATOM 210 C GLY A 14 7.147 4.438 -0.295 1.00 0.00 C ATOM 211 O GLY A 14 7.531 3.483 -0.925 1.00 0.00 O ATOM 0 H GLY A 14 7.435 6.554 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.692 4.221 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.082 4.364 1.830 1.00 0.00 H new ATOM 215 N ALA A 15 6.214 5.275 -0.735 1.00 0.00 N ATOM 216 CA ALA A 15 5.596 5.118 -2.044 1.00 0.00 C ATOM 217 C ALA A 15 6.653 5.195 -3.137 1.00 0.00 C ATOM 218 O ALA A 15 6.712 4.342 -4.042 1.00 0.00 O ATOM 219 CB ALA A 15 4.552 6.200 -2.262 1.00 0.00 C ATOM 0 H ALA A 15 5.869 6.072 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 15 5.112 4.142 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.096 6.073 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.784 6.124 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.026 7.180 -2.206 1.00 0.00 H new ATOM 225 N ARG A 16 7.499 6.210 -3.039 1.00 0.00 N ATOM 226 CA ARG A 16 8.554 6.417 -4.012 1.00 0.00 C ATOM 227 C ARG A 16 9.520 5.234 -4.022 1.00 0.00 C ATOM 228 O ARG A 16 9.977 4.803 -5.082 1.00 0.00 O ATOM 229 CB ARG A 16 9.305 7.720 -3.723 1.00 0.00 C ATOM 230 CG ARG A 16 10.321 8.102 -4.794 1.00 0.00 C ATOM 231 CD ARG A 16 9.673 8.196 -6.170 1.00 0.00 C ATOM 232 NE ARG A 16 8.519 9.095 -6.172 1.00 0.00 N ATOM 233 CZ ARG A 16 7.477 8.993 -6.998 1.00 0.00 C ATOM 234 NH1 ARG A 16 7.444 8.035 -7.924 1.00 0.00 N ATOM 235 NH2 ARG A 16 6.473 9.858 -6.904 1.00 0.00 N ATOM 0 H ARG A 16 7.473 6.904 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 16 8.097 6.494 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.582 8.529 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.819 7.626 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.777 9.059 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.122 7.363 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.408 8.548 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.359 7.203 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 16 8.511 9.855 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.218 7.376 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.645 7.961 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.501 10.597 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.674 9.783 -7.534 1.00 0.00 H new ATOM 249 N ASP A 17 9.811 4.701 -2.847 1.00 0.00 N ATOM 250 CA ASP A 17 10.702 3.555 -2.737 1.00 0.00 C ATOM 251 C ASP A 17 10.001 2.286 -3.215 1.00 0.00 C ATOM 252 O ASP A 17 10.600 1.460 -3.906 1.00 0.00 O ATOM 253 CB ASP A 17 11.202 3.383 -1.301 1.00 0.00 C ATOM 254 CG ASP A 17 12.248 2.290 -1.178 1.00 0.00 C ATOM 255 OD1 ASP A 17 11.943 1.227 -0.601 1.00 0.00 O ATOM 256 OD2 ASP A 17 13.385 2.488 -1.661 1.00 0.00 O ATOM 0 H ASP A 17 9.445 5.041 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 17 11.567 3.737 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.623 4.325 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.359 3.149 -0.651 1.00 0.00 H new ATOM 261 N GLU A 18 8.718 2.162 -2.869 1.00 0.00 N ATOM 262 CA GLU A 18 7.889 1.018 -3.255 1.00 0.00 C ATOM 263 C GLU A 18 7.813 0.854 -4.758 1.00 0.00 C ATOM 264 O GLU A 18 7.458 -0.215 -5.249 1.00 0.00 O ATOM 265 CB GLU A 18 6.485 1.106 -2.654 1.00 0.00 C ATOM 266 CG GLU A 18 6.409 0.624 -1.214 1.00 0.00 C ATOM 267 CD GLU A 18 4.994 0.574 -0.685 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.195 -0.254 -1.185 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.677 1.333 0.256 1.00 0.00 O ATOM 0 H GLU A 18 8.222 2.856 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 18 8.376 0.132 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.143 2.140 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.800 0.515 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.853 -0.369 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.004 1.284 -0.583 1.00 0.00 H new ATOM 276 N TYR A 19 8.105 1.922 -5.496 1.00 0.00 N ATOM 277 CA TYR A 19 8.172 1.828 -6.946 1.00 0.00 C ATOM 278 C TYR A 19 9.150 0.715 -7.354 1.00 0.00 C ATOM 279 O TYR A 19 8.934 0.018 -8.345 1.00 0.00 O ATOM 280 CB TYR A 19 8.603 3.165 -7.569 1.00 0.00 C ATOM 281 CG TYR A 19 8.768 3.105 -9.075 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.664 3.145 -9.917 1.00 0.00 C ATOM 283 CD2 TYR A 19 10.029 2.994 -9.652 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.810 3.078 -11.289 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.184 2.929 -11.025 1.00 0.00 C ATOM 286 CZ TYR A 19 9.073 2.971 -11.838 1.00 0.00 C ATOM 287 OH TYR A 19 9.218 2.897 -13.207 1.00 0.00 O ATOM 0 H TYR A 19 8.296 2.850 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 19 7.176 1.587 -7.319 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.863 3.927 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.546 3.479 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.675 3.230 -9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.902 2.958 -9.017 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.941 3.109 -11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.170 2.846 -11.457 1.00 0.00 H new ATOM 0 HH TYR A 19 10.169 2.826 -13.432 1.00 0.00 H new ATOM 297 N TRP A 20 10.209 0.540 -6.570 1.00 0.00 N ATOM 298 CA TRP A 20 11.182 -0.509 -6.829 1.00 0.00 C ATOM 299 C TRP A 20 10.639 -1.841 -6.306 1.00 0.00 C ATOM 300 O TRP A 20 10.415 -2.780 -7.077 1.00 0.00 O ATOM 301 CB TRP A 20 12.519 -0.175 -6.159 1.00 0.00 C ATOM 302 CG TRP A 20 13.675 -0.980 -6.677 1.00 0.00 C ATOM 303 CD1 TRP A 20 14.050 -2.230 -6.285 1.00 0.00 C ATOM 304 CD2 TRP A 20 14.612 -0.577 -7.681 1.00 0.00 C ATOM 305 NE1 TRP A 20 15.156 -2.632 -6.987 1.00 0.00 N ATOM 306 CE2 TRP A 20 15.523 -1.636 -7.850 1.00 0.00 C ATOM 307 CE3 TRP A 20 14.768 0.575 -8.457 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.573 -1.577 -8.760 1.00 0.00 C ATOM 309 CZ3 TRP A 20 15.812 0.631 -9.360 1.00 0.00 C ATOM 310 CH2 TRP A 20 16.701 -0.438 -9.504 1.00 0.00 C ATOM 0 H TRP A 20 10.413 1.112 -5.751 1.00 0.00 H new ATOM 0 HA TRP A 20 11.352 -0.587 -7.903 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.732 0.884 -6.303 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.427 -0.338 -5.085 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.548 -2.818 -5.531 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.629 -3.529 -6.883 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.085 1.405 -8.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.262 -2.401 -8.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 15.944 1.516 -9.965 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.507 -0.362 -10.219 1.00 0.00 H new ATOM 321 N LYS A 21 10.427 -1.915 -4.997 1.00 0.00 N ATOM 322 CA LYS A 21 9.828 -3.094 -4.384 1.00 0.00 C ATOM 323 C LYS A 21 8.528 -2.690 -3.728 1.00 0.00 C ATOM 324 O LYS A 21 8.533 -1.981 -2.720 1.00 0.00 O ATOM 325 CB LYS A 21 10.735 -3.712 -3.313 1.00 0.00 C ATOM 326 CG LYS A 21 12.208 -3.768 -3.665 1.00 0.00 C ATOM 327 CD LYS A 21 13.004 -4.515 -2.595 1.00 0.00 C ATOM 328 CE LYS A 21 12.722 -3.980 -1.189 1.00 0.00 C ATOM 329 NZ LYS A 21 13.078 -2.545 -1.046 1.00 0.00 N ATOM 0 H LYS A 21 10.661 -1.171 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 21 9.672 -3.835 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.620 -3.143 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.389 -4.725 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.336 -4.262 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.598 -2.756 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.757 -5.576 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.069 -4.427 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.665 -4.114 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.284 -4.565 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.806 -2.213 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.103 -2.427 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.574 -1.989 -1.766 1.00 0.00 H new ATOM 343 N CYS A 22 7.423 -3.108 -4.300 1.00 0.00 N ATOM 344 CA CYS A 22 6.126 -2.773 -3.751 1.00 0.00 C ATOM 345 C CYS A 22 5.914 -3.468 -2.407 1.00 0.00 C ATOM 346 O CYS A 22 6.351 -4.609 -2.218 1.00 0.00 O ATOM 347 CB CYS A 22 5.031 -3.155 -4.747 1.00 0.00 C ATOM 348 SG CYS A 22 5.239 -4.823 -5.474 1.00 0.00 S ATOM 0 H CYS A 22 7.394 -3.680 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 22 6.079 -1.698 -3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.064 -3.106 -4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.011 -2.419 -5.551 1.00 0.00 H new ATOM 353 N LEU A 23 5.239 -2.774 -1.482 1.00 0.00 N ATOM 354 CA LEU A 23 4.987 -3.290 -0.136 1.00 0.00 C ATOM 355 C LEU A 23 6.292 -3.610 0.569 1.00 0.00 C ATOM 356 O LEU A 23 6.461 -4.688 1.149 1.00 0.00 O ATOM 357 CB LEU A 23 4.068 -4.506 -0.182 1.00 0.00 C ATOM 358 CG LEU A 23 2.688 -4.242 -0.764 1.00 0.00 C ATOM 359 CD1 LEU A 23 1.850 -5.499 -0.752 1.00 0.00 C ATOM 360 CD2 LEU A 23 1.996 -3.118 -0.015 1.00 0.00 C ATOM 0 H LEU A 23 4.855 -1.844 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 23 4.479 -2.515 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.551 -5.287 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.952 -4.894 0.830 1.00 0.00 H new ATOM 0 HG LEU A 23 2.809 -3.931 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.868 -5.285 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.340 -6.269 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.737 -5.851 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.010 -2.945 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.889 -3.392 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.591 -2.208 -0.093 1.00 0.00 H new ATOM 372 N ASP A 24 7.190 -2.630 0.538 1.00 0.00 N ATOM 373 CA ASP A 24 8.537 -2.721 1.117 1.00 0.00 C ATOM 374 C ASP A 24 8.519 -3.106 2.605 1.00 0.00 C ATOM 375 O ASP A 24 9.532 -3.567 3.144 1.00 0.00 O ATOM 376 CB ASP A 24 9.260 -1.379 0.916 1.00 0.00 C ATOM 377 CG ASP A 24 10.596 -1.293 1.628 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.590 -1.889 1.141 1.00 0.00 O ATOM 379 OD2 ASP A 24 10.666 -0.613 2.672 1.00 0.00 O ATOM 0 H ASP A 24 7.002 -1.728 0.101 1.00 0.00 H new ATOM 0 HA ASP A 24 9.071 -3.518 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.416 -1.217 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.617 -0.573 1.271 1.00 0.00 H new ATOM 384 N GLU A 25 7.371 -2.924 3.256 1.00 0.00 N ATOM 385 CA GLU A 25 7.225 -3.250 4.677 1.00 0.00 C ATOM 386 C GLU A 25 7.670 -4.680 4.959 1.00 0.00 C ATOM 387 O GLU A 25 8.618 -4.916 5.713 1.00 0.00 O ATOM 388 CB GLU A 25 5.761 -3.131 5.123 1.00 0.00 C ATOM 389 CG GLU A 25 5.062 -1.853 4.727 1.00 0.00 C ATOM 390 CD GLU A 25 4.554 -1.888 3.310 1.00 0.00 C ATOM 391 OE1 GLU A 25 3.500 -2.491 3.066 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.203 -1.307 2.433 1.00 0.00 O ATOM 0 H GLU A 25 6.526 -2.552 2.822 1.00 0.00 H new ATOM 0 HA GLU A 25 7.848 -2.543 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.204 -3.972 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.721 -3.225 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.227 -1.675 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.750 -1.016 4.842 1.00 0.00 H new ATOM 399 N ASN A 26 6.979 -5.636 4.340 1.00 0.00 N ATOM 400 CA ASN A 26 7.281 -7.057 4.561 1.00 0.00 C ATOM 401 C ASN A 26 7.284 -7.861 3.269 1.00 0.00 C ATOM 402 O ASN A 26 7.924 -8.909 3.193 1.00 0.00 O ATOM 403 CB ASN A 26 6.284 -7.674 5.552 1.00 0.00 C ATOM 404 CG ASN A 26 6.313 -6.989 6.900 1.00 0.00 C ATOM 405 OD1 ASN A 26 7.092 -7.351 7.780 1.00 0.00 O ATOM 406 ND2 ASN A 26 5.459 -5.998 7.071 1.00 0.00 N ATOM 0 H ASN A 26 6.214 -5.460 3.688 1.00 0.00 H new ATOM 0 HA ASN A 26 8.287 -7.100 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.278 -7.612 5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.511 -8.732 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.428 -5.500 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.830 -5.730 6.314 1.00 0.00 H new ATOM 413 N LEU A 27 6.561 -7.373 2.251 1.00 0.00 N ATOM 414 CA LEU A 27 6.444 -8.072 0.955 1.00 0.00 C ATOM 415 C LEU A 27 5.812 -9.455 1.133 1.00 0.00 C ATOM 416 O LEU A 27 6.026 -10.353 0.324 1.00 0.00 O ATOM 417 CB LEU A 27 7.814 -8.206 0.246 1.00 0.00 C ATOM 418 CG LEU A 27 8.527 -6.900 -0.148 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.208 -6.260 1.053 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.534 -7.156 -1.257 1.00 0.00 C ATOM 0 H LEU A 27 6.045 -6.494 2.297 1.00 0.00 H new ATOM 0 HA LEU A 27 5.795 -7.464 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.479 -8.772 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.672 -8.800 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 27 7.773 -6.205 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.703 -5.340 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.463 -6.032 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.947 -6.949 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.028 -6.221 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.278 -7.875 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.019 -7.555 -2.131 1.00 0.00 H new ATOM 432 N GLU A 28 5.011 -9.600 2.188 1.00 0.00 N ATOM 433 CA GLU A 28 4.349 -10.867 2.506 1.00 0.00 C ATOM 434 C GLU A 28 3.483 -11.341 1.343 1.00 0.00 C ATOM 435 O GLU A 28 3.500 -12.512 0.972 1.00 0.00 O ATOM 436 CB GLU A 28 3.485 -10.695 3.757 1.00 0.00 C ATOM 437 CG GLU A 28 2.766 -11.949 4.210 1.00 0.00 C ATOM 438 CD GLU A 28 1.732 -11.649 5.271 1.00 0.00 C ATOM 439 OE1 GLU A 28 2.119 -11.377 6.424 1.00 0.00 O ATOM 440 OE2 GLU A 28 0.527 -11.676 4.956 1.00 0.00 O ATOM 0 H GLU A 28 4.803 -8.847 2.844 1.00 0.00 H new ATOM 0 HA GLU A 28 5.116 -11.619 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.117 -10.341 4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.745 -9.918 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.283 -12.421 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.491 -12.663 4.600 1.00 0.00 H new ATOM 447 N ASP A 29 2.749 -10.419 0.763 1.00 0.00 N ATOM 448 CA ASP A 29 1.880 -10.730 -0.347 1.00 0.00 C ATOM 449 C ASP A 29 2.074 -9.723 -1.450 1.00 0.00 C ATOM 450 O ASP A 29 1.418 -8.682 -1.490 1.00 0.00 O ATOM 451 CB ASP A 29 0.422 -10.758 0.086 1.00 0.00 C ATOM 452 CG ASP A 29 -0.487 -11.250 -1.017 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.618 -12.480 -1.172 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.065 -10.418 -1.739 1.00 0.00 O ATOM 0 H ASP A 29 2.738 -9.439 1.045 1.00 0.00 H new ATOM 0 HA ASP A 29 2.141 -11.722 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.315 -11.403 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.115 -9.757 0.390 1.00 0.00 H new ATOM 459 N ALA A 30 3.013 -10.010 -2.310 1.00 0.00 N ATOM 460 CA ALA A 30 3.333 -9.133 -3.413 1.00 0.00 C ATOM 461 C ALA A 30 2.225 -9.098 -4.477 1.00 0.00 C ATOM 462 O ALA A 30 2.213 -8.223 -5.335 1.00 0.00 O ATOM 463 CB ALA A 30 4.666 -9.517 -4.031 1.00 0.00 C ATOM 0 H ALA A 30 3.580 -10.857 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 30 3.411 -8.124 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.890 -8.845 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.451 -9.440 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.615 -10.542 -4.398 1.00 0.00 H new ATOM 469 N SER A 31 1.298 -10.043 -4.421 1.00 0.00 N ATOM 470 CA SER A 31 0.210 -10.092 -5.392 1.00 0.00 C ATOM 471 C SER A 31 -0.698 -8.869 -5.249 1.00 0.00 C ATOM 472 O SER A 31 -1.146 -8.292 -6.241 1.00 0.00 O ATOM 473 CB SER A 31 -0.602 -11.382 -5.229 1.00 0.00 C ATOM 474 OG SER A 31 -1.589 -11.505 -6.244 1.00 0.00 O ATOM 0 H SER A 31 1.275 -10.783 -3.719 1.00 0.00 H new ATOM 0 HA SER A 31 0.646 -10.082 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.067 -12.242 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.081 -11.391 -4.250 1.00 0.00 H new ATOM 0 HG SER A 31 -2.089 -12.338 -6.115 1.00 0.00 H new ATOM 480 N GLN A 32 -0.947 -8.467 -4.016 1.00 0.00 N ATOM 481 CA GLN A 32 -1.812 -7.331 -3.744 1.00 0.00 C ATOM 482 C GLN A 32 -1.004 -6.021 -3.742 1.00 0.00 C ATOM 483 O GLN A 32 -1.558 -4.928 -3.567 1.00 0.00 O ATOM 484 CB GLN A 32 -2.527 -7.543 -2.396 1.00 0.00 C ATOM 485 CG GLN A 32 -3.590 -6.502 -2.051 1.00 0.00 C ATOM 486 CD GLN A 32 -4.690 -6.398 -3.092 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.280 -5.227 -3.201 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -5.012 -7.364 -3.782 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.561 -8.912 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.562 -7.253 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.995 -8.528 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.779 -7.551 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.034 -6.752 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.112 -5.529 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.530 -8.256 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.761 -7.273 -4.469 1.00 0.00 H new ATOM 497 N CYS A 33 0.303 -6.130 -3.980 1.00 0.00 N ATOM 498 CA CYS A 33 1.174 -4.960 -3.949 1.00 0.00 C ATOM 499 C CYS A 33 0.870 -4.020 -5.085 1.00 0.00 C ATOM 500 O CYS A 33 1.043 -2.818 -4.957 1.00 0.00 O ATOM 501 CB CYS A 33 2.653 -5.351 -3.995 1.00 0.00 C ATOM 502 SG CYS A 33 3.347 -5.526 -5.669 1.00 0.00 S ATOM 0 H CYS A 33 0.776 -7.008 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 33 0.978 -4.452 -3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.229 -4.600 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.781 -6.294 -3.464 1.00 0.00 H new ATOM 507 N LYS A 34 0.410 -4.573 -6.195 1.00 0.00 N ATOM 508 CA LYS A 34 0.098 -3.784 -7.368 1.00 0.00 C ATOM 509 C LYS A 34 -0.945 -2.728 -7.042 1.00 0.00 C ATOM 510 O LYS A 34 -0.760 -1.547 -7.325 1.00 0.00 O ATOM 511 CB LYS A 34 -0.397 -4.685 -8.497 1.00 0.00 C ATOM 512 CG LYS A 34 0.612 -5.739 -8.922 1.00 0.00 C ATOM 513 CD LYS A 34 0.078 -6.593 -10.059 1.00 0.00 C ATOM 514 CE LYS A 34 1.101 -7.627 -10.494 1.00 0.00 C ATOM 515 NZ LYS A 34 0.623 -8.438 -11.639 1.00 0.00 N ATOM 0 H LYS A 34 0.244 -5.573 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 34 1.008 -3.280 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.315 -5.180 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.650 -4.068 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.537 -5.254 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.856 -6.375 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.837 -7.093 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.182 -5.956 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.029 -7.125 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.330 -8.285 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.353 -9.131 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.248 -8.938 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.429 -7.815 -12.449 1.00 0.00 H new ATOM 529 N LYS A 35 -2.017 -3.158 -6.415 1.00 0.00 N ATOM 530 CA LYS A 35 -3.107 -2.267 -6.073 1.00 0.00 C ATOM 531 C LYS A 35 -2.702 -1.298 -4.965 1.00 0.00 C ATOM 532 O LYS A 35 -2.956 -0.096 -5.058 1.00 0.00 O ATOM 533 CB LYS A 35 -4.329 -3.080 -5.651 1.00 0.00 C ATOM 534 CG LYS A 35 -4.770 -4.103 -6.692 1.00 0.00 C ATOM 535 CD LYS A 35 -5.228 -3.431 -7.976 1.00 0.00 C ATOM 536 CE LYS A 35 -5.591 -4.452 -9.036 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.099 -3.804 -10.271 1.00 0.00 N ATOM 0 H LYS A 35 -2.159 -4.127 -6.129 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.357 -1.677 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.107 -3.597 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.156 -2.399 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.945 -4.781 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.581 -4.708 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.090 -2.797 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.437 -2.781 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.715 -5.055 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.348 -5.131 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.337 -4.533 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.949 -3.249 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.367 -3.175 -10.659 1.00 0.00 H new ATOM 551 N LEU A 36 -2.051 -1.824 -3.934 1.00 0.00 N ATOM 552 CA LEU A 36 -1.638 -1.006 -2.796 1.00 0.00 C ATOM 553 C LEU A 36 -0.598 0.044 -3.203 1.00 0.00 C ATOM 554 O LEU A 36 -0.709 1.214 -2.830 1.00 0.00 O ATOM 555 CB LEU A 36 -1.111 -1.889 -1.660 1.00 0.00 C ATOM 556 CG LEU A 36 -2.118 -2.896 -1.081 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.528 -3.641 0.096 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.405 -2.203 -0.680 1.00 0.00 C ATOM 0 H LEU A 36 -1.798 -2.809 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.516 -0.470 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.243 -2.439 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.765 -1.244 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.348 -3.622 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.262 -4.346 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.639 -4.183 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.257 -2.931 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.102 -2.936 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.191 -1.447 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.849 -1.726 -1.554 1.00 0.00 H new ATOM 570 N ARG A 37 0.405 -0.366 -3.984 1.00 0.00 N ATOM 571 CA ARG A 37 1.420 0.577 -4.445 1.00 0.00 C ATOM 572 C ARG A 37 0.782 1.660 -5.313 1.00 0.00 C ATOM 573 O ARG A 37 1.209 2.811 -5.294 1.00 0.00 O ATOM 574 CB ARG A 37 2.550 -0.135 -5.207 1.00 0.00 C ATOM 575 CG ARG A 37 3.749 0.764 -5.491 1.00 0.00 C ATOM 576 CD ARG A 37 3.892 1.083 -6.972 1.00 0.00 C ATOM 577 NE ARG A 37 4.418 -0.050 -7.740 1.00 0.00 N ATOM 578 CZ ARG A 37 4.532 -0.072 -9.073 1.00 0.00 C ATOM 579 NH1 ARG A 37 4.080 0.940 -9.807 1.00 0.00 N ATOM 580 NH2 ARG A 37 5.086 -1.120 -9.669 1.00 0.00 N ATOM 0 H ARG A 37 0.533 -1.326 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 37 1.864 1.046 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.881 -0.998 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.159 -0.515 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.645 1.693 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.658 0.277 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.921 1.371 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.555 1.940 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 37 4.717 -0.877 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.642 1.742 -9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.171 0.914 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.423 -1.905 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.175 -1.141 -10.685 1.00 0.00 H new ATOM 594 N SER A 38 -0.254 1.281 -6.065 1.00 0.00 N ATOM 595 CA SER A 38 -0.991 2.234 -6.894 1.00 0.00 C ATOM 596 C SER A 38 -1.613 3.336 -6.032 1.00 0.00 C ATOM 597 O SER A 38 -1.621 4.507 -6.416 1.00 0.00 O ATOM 598 CB SER A 38 -2.079 1.526 -7.702 1.00 0.00 C ATOM 599 OG SER A 38 -1.518 0.573 -8.590 1.00 0.00 O ATOM 0 H SER A 38 -0.600 0.323 -6.116 1.00 0.00 H new ATOM 0 HA SER A 38 -0.284 2.689 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.775 1.031 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.653 2.261 -8.267 1.00 0.00 H new ATOM 0 HG SER A 38 -1.459 -0.297 -8.142 1.00 0.00 H new ATOM 605 N SER A 39 -2.128 2.953 -4.867 1.00 0.00 N ATOM 606 CA SER A 39 -2.725 3.912 -3.948 1.00 0.00 C ATOM 607 C SER A 39 -1.662 4.891 -3.443 1.00 0.00 C ATOM 608 O SER A 39 -1.895 6.096 -3.356 1.00 0.00 O ATOM 609 CB SER A 39 -3.345 3.186 -2.758 1.00 0.00 C ATOM 610 OG SER A 39 -4.080 2.047 -3.171 1.00 0.00 O ATOM 0 H SER A 39 -2.143 1.987 -4.539 1.00 0.00 H new ATOM 0 HA SER A 39 -3.501 4.462 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.559 2.882 -2.066 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.001 3.867 -2.216 1.00 0.00 H new ATOM 0 HG SER A 39 -3.969 1.330 -2.512 1.00 0.00 H new ATOM 616 N PHE A 40 -0.492 4.354 -3.135 1.00 0.00 N ATOM 617 CA PHE A 40 0.609 5.135 -2.611 1.00 0.00 C ATOM 618 C PHE A 40 1.217 6.075 -3.654 1.00 0.00 C ATOM 619 O PHE A 40 1.436 7.254 -3.381 1.00 0.00 O ATOM 620 CB PHE A 40 1.670 4.205 -2.035 1.00 0.00 C ATOM 621 CG PHE A 40 1.447 3.880 -0.590 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.314 3.196 -0.185 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.365 4.273 0.368 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.099 2.915 1.148 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.159 3.991 1.701 1.00 0.00 C ATOM 626 CZ PHE A 40 1.025 3.315 2.091 1.00 0.00 C ATOM 0 H PHE A 40 -0.282 3.362 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 40 0.213 5.771 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.684 3.280 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.650 4.667 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.410 2.879 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.254 4.807 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.791 2.384 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.886 4.300 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.859 3.097 3.136 1.00 0.00 H new ATOM 636 N GLU A 41 1.467 5.565 -4.847 1.00 0.00 N ATOM 637 CA GLU A 41 2.083 6.371 -5.901 1.00 0.00 C ATOM 638 C GLU A 41 1.104 7.377 -6.490 1.00 0.00 C ATOM 639 O GLU A 41 1.473 8.173 -7.359 1.00 0.00 O ATOM 640 CB GLU A 41 2.649 5.496 -7.016 1.00 0.00 C ATOM 641 CG GLU A 41 1.596 4.747 -7.820 1.00 0.00 C ATOM 642 CD GLU A 41 2.175 4.030 -9.021 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.365 2.805 -8.953 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.443 4.698 -10.048 1.00 0.00 O ATOM 0 H GLU A 41 1.257 4.604 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 41 2.901 6.918 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.230 6.122 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.339 4.773 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.100 4.022 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.833 5.450 -8.155 1.00 0.00 H new ATOM 651 N SER A 42 -0.136 7.336 -6.026 1.00 0.00 N ATOM 652 CA SER A 42 -1.183 8.197 -6.542 1.00 0.00 C ATOM 653 C SER A 42 -0.794 9.670 -6.408 1.00 0.00 C ATOM 654 O SER A 42 -0.968 10.456 -7.341 1.00 0.00 O ATOM 655 CB SER A 42 -2.509 7.918 -5.813 1.00 0.00 C ATOM 656 OG SER A 42 -3.585 8.653 -6.382 1.00 0.00 O ATOM 0 H SER A 42 -0.441 6.706 -5.284 1.00 0.00 H new ATOM 0 HA SER A 42 -1.315 7.980 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.732 6.852 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.407 8.178 -4.759 1.00 0.00 H new ATOM 0 HG SER A 42 -4.412 8.451 -5.896 1.00 0.00 H new ATOM 662 N SER A 43 -0.256 10.039 -5.256 1.00 0.00 N ATOM 663 CA SER A 43 0.148 11.418 -5.029 1.00 0.00 C ATOM 664 C SER A 43 1.321 11.522 -4.051 1.00 0.00 C ATOM 665 O SER A 43 2.481 11.590 -4.468 1.00 0.00 O ATOM 666 CB SER A 43 -1.038 12.267 -4.548 1.00 0.00 C ATOM 667 OG SER A 43 -2.065 12.316 -5.527 1.00 0.00 O ATOM 0 H SER A 43 -0.090 9.410 -4.470 1.00 0.00 H new ATOM 0 HA SER A 43 0.489 11.812 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.434 11.851 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.698 13.278 -4.323 1.00 0.00 H new ATOM 0 HG SER A 43 -1.780 11.824 -6.325 1.00 0.00 H new ATOM 673 N CYS A 44 1.003 11.491 -2.745 1.00 0.00 N ATOM 674 CA CYS A 44 1.997 11.656 -1.673 1.00 0.00 C ATOM 675 C CYS A 44 1.314 11.786 -0.280 1.00 0.00 C ATOM 676 O CYS A 44 1.730 11.125 0.673 1.00 0.00 O ATOM 677 CB CYS A 44 2.920 12.873 -1.934 1.00 0.00 C ATOM 678 SG CYS A 44 3.998 13.340 -0.532 1.00 0.00 S ATOM 0 H CYS A 44 0.052 11.351 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 44 2.613 10.757 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.547 12.655 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.300 13.730 -2.198 1.00 0.00 H new ATOM 683 N PRO A 45 0.252 12.652 -0.130 1.00 0.00 N ATOM 684 CA PRO A 45 -0.460 12.804 1.150 1.00 0.00 C ATOM 685 C PRO A 45 -1.146 11.509 1.581 1.00 0.00 C ATOM 686 O PRO A 45 -1.928 10.924 0.823 1.00 0.00 O ATOM 687 CB PRO A 45 -1.509 13.890 0.864 1.00 0.00 C ATOM 688 CG PRO A 45 -1.012 14.587 -0.351 1.00 0.00 C ATOM 689 CD PRO A 45 -0.311 13.546 -1.161 1.00 0.00 C ATOM 0 HA PRO A 45 0.221 13.061 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.494 13.454 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.605 14.578 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.835 15.030 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.334 15.398 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.998 13.018 -1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.467 13.979 -1.789 1.00 0.00 H new ATOM 697 N GLN A 46 -0.868 11.083 2.811 1.00 0.00 N ATOM 698 CA GLN A 46 -1.409 9.836 3.354 1.00 0.00 C ATOM 699 C GLN A 46 -2.923 9.861 3.430 1.00 0.00 C ATOM 700 O GLN A 46 -3.561 8.819 3.345 1.00 0.00 O ATOM 701 CB GLN A 46 -0.836 9.568 4.742 1.00 0.00 C ATOM 702 CG GLN A 46 -1.302 8.257 5.350 1.00 0.00 C ATOM 703 CD GLN A 46 -0.789 8.045 6.756 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.601 8.992 7.512 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.546 6.802 7.109 1.00 0.00 N ATOM 0 H GLN A 46 -0.264 11.589 3.458 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.116 9.036 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.252 9.564 4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.116 10.386 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.392 8.234 5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.971 7.432 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.716 6.042 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.188 6.598 8.042 1.00 0.00 H new ATOM 714 N GLN A 47 -3.482 11.049 3.585 1.00 0.00 N ATOM 715 CA GLN A 47 -4.928 11.223 3.698 1.00 0.00 C ATOM 716 C GLN A 47 -5.657 10.490 2.580 1.00 0.00 C ATOM 717 O GLN A 47 -6.437 9.576 2.836 1.00 0.00 O ATOM 718 CB GLN A 47 -5.289 12.716 3.692 1.00 0.00 C ATOM 719 CG GLN A 47 -5.004 13.452 5.010 1.00 0.00 C ATOM 720 CD GLN A 47 -3.654 13.100 5.620 1.00 0.00 C ATOM 721 OE1 GLN A 47 -2.632 13.685 5.275 1.00 0.00 O ATOM 722 NE2 GLN A 47 -3.651 12.146 6.538 1.00 0.00 N ATOM 0 H GLN A 47 -2.953 11.919 3.636 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.249 10.791 4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.735 13.206 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.348 12.819 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.045 14.527 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.791 13.216 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.523 11.684 6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.777 11.873 6.987 1.00 0.00 H new ATOM 731 N TRP A 48 -5.383 10.870 1.345 1.00 0.00 N ATOM 732 CA TRP A 48 -6.013 10.226 0.208 1.00 0.00 C ATOM 733 C TRP A 48 -5.384 8.889 -0.114 1.00 0.00 C ATOM 734 O TRP A 48 -6.080 7.964 -0.536 1.00 0.00 O ATOM 735 CB TRP A 48 -6.021 11.132 -1.004 1.00 0.00 C ATOM 736 CG TRP A 48 -7.100 12.144 -0.922 1.00 0.00 C ATOM 737 CD1 TRP A 48 -8.422 11.930 -1.153 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.964 13.520 -0.565 1.00 0.00 C ATOM 739 NE1 TRP A 48 -9.124 13.094 -0.970 1.00 0.00 N ATOM 740 CE2 TRP A 48 -8.250 14.086 -0.607 1.00 0.00 C ATOM 741 CE3 TRP A 48 -5.880 14.330 -0.216 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.483 15.423 -0.313 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -6.112 15.658 0.077 1.00 0.00 C ATOM 744 CH2 TRP A 48 -7.405 16.193 0.026 1.00 0.00 C ATOM 0 H TRP A 48 -4.732 11.617 1.105 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.048 10.032 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.057 11.633 -1.090 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.151 10.533 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.856 10.983 -1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.132 13.204 -1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.880 13.924 -0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.479 15.839 -0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.284 16.295 0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.554 17.237 0.260 1.00 0.00 H new ATOM 755 N ILE A 49 -4.075 8.779 0.087 1.00 0.00 N ATOM 756 CA ILE A 49 -3.385 7.525 -0.156 1.00 0.00 C ATOM 757 C ILE A 49 -4.018 6.410 0.644 1.00 0.00 C ATOM 758 O ILE A 49 -4.465 5.421 0.085 1.00 0.00 O ATOM 759 CB ILE A 49 -1.877 7.618 0.172 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.149 8.368 -0.945 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.265 6.227 0.394 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.327 8.543 -0.698 1.00 0.00 C ATOM 0 H ILE A 49 -3.478 9.538 0.415 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.480 7.307 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.759 8.173 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.290 7.830 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.606 9.350 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.204 6.329 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.770 5.736 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.386 5.628 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.774 9.083 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.477 9.108 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.799 7.565 -0.605 1.00 0.00 H new ATOM 774 N LYS A 50 -4.100 6.593 1.952 1.00 0.00 N ATOM 775 CA LYS A 50 -4.672 5.581 2.795 1.00 0.00 C ATOM 776 C LYS A 50 -6.177 5.516 2.650 1.00 0.00 C ATOM 777 O LYS A 50 -6.762 4.482 2.894 1.00 0.00 O ATOM 778 CB LYS A 50 -4.263 5.742 4.259 1.00 0.00 C ATOM 779 CG LYS A 50 -2.817 5.340 4.545 1.00 0.00 C ATOM 780 CD LYS A 50 -2.497 3.914 4.070 1.00 0.00 C ATOM 781 CE LYS A 50 -3.406 2.867 4.708 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.041 1.493 4.281 1.00 0.00 N ATOM 0 H LYS A 50 -3.778 7.429 2.440 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.264 4.629 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.406 6.782 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.927 5.140 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.144 6.043 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.628 5.414 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.597 3.865 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.459 3.681 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.341 2.941 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.442 3.070 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.522 0.801 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.333 1.347 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.012 1.367 4.360 1.00 0.00 H new ATOM 796 N TYR A 51 -6.802 6.622 2.240 1.00 0.00 N ATOM 797 CA TYR A 51 -8.257 6.631 2.025 1.00 0.00 C ATOM 798 C TYR A 51 -8.649 5.577 0.993 1.00 0.00 C ATOM 799 O TYR A 51 -9.530 4.750 1.234 1.00 0.00 O ATOM 800 CB TYR A 51 -8.735 8.016 1.563 1.00 0.00 C ATOM 801 CG TYR A 51 -10.215 8.077 1.229 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.177 8.038 2.229 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.645 8.171 -0.090 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.525 8.089 1.927 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.991 8.222 -0.401 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.927 8.181 0.611 1.00 0.00 C ATOM 807 OH TYR A 51 -14.271 8.224 0.305 1.00 0.00 O ATOM 0 H TYR A 51 -6.337 7.510 2.052 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.738 6.397 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.519 8.744 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.162 8.313 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.867 7.967 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.915 8.205 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.260 8.057 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.308 8.294 -1.431 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.383 8.290 -0.666 1.00 0.00 H new ATOM 817 N PHE A 52 -7.998 5.616 -0.156 1.00 0.00 N ATOM 818 CA PHE A 52 -8.239 4.625 -1.195 1.00 0.00 C ATOM 819 C PHE A 52 -7.586 3.282 -0.848 1.00 0.00 C ATOM 820 O PHE A 52 -8.170 2.219 -1.071 1.00 0.00 O ATOM 821 CB PHE A 52 -7.732 5.125 -2.553 1.00 0.00 C ATOM 822 CG PHE A 52 -8.465 6.337 -3.069 1.00 0.00 C ATOM 823 CD1 PHE A 52 -7.897 7.599 -2.984 1.00 0.00 C ATOM 824 CD2 PHE A 52 -9.721 6.211 -3.637 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.568 8.710 -3.454 1.00 0.00 C ATOM 826 CE2 PHE A 52 -10.398 7.320 -4.111 1.00 0.00 C ATOM 827 CZ PHE A 52 -9.821 8.572 -4.019 1.00 0.00 C ATOM 0 H PHE A 52 -7.300 6.320 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.316 4.472 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.671 5.362 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.822 4.320 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.917 7.714 -2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.178 5.235 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.113 9.687 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.377 7.207 -4.553 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.348 9.440 -4.388 1.00 0.00 H new ATOM 837 N ASP A 53 -6.386 3.344 -0.277 1.00 0.00 N ATOM 838 CA ASP A 53 -5.596 2.144 0.039 1.00 0.00 C ATOM 839 C ASP A 53 -6.268 1.253 1.078 1.00 0.00 C ATOM 840 O ASP A 53 -6.287 0.045 0.927 1.00 0.00 O ATOM 841 CB ASP A 53 -4.205 2.537 0.526 1.00 0.00 C ATOM 842 CG ASP A 53 -3.263 1.363 0.623 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.892 0.818 -0.430 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.870 1.009 1.756 1.00 0.00 O ATOM 0 H ASP A 53 -5.931 4.219 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.519 1.570 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.784 3.279 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.289 3.011 1.504 1.00 0.00 H new ATOM 849 N LYS A 54 -6.849 1.867 2.115 1.00 0.00 N ATOM 850 CA LYS A 54 -7.481 1.124 3.233 1.00 0.00 C ATOM 851 C LYS A 54 -8.589 0.185 2.749 1.00 0.00 C ATOM 852 O LYS A 54 -9.022 -0.707 3.474 1.00 0.00 O ATOM 853 CB LYS A 54 -8.039 2.101 4.272 1.00 0.00 C ATOM 854 CG LYS A 54 -9.254 2.880 3.797 1.00 0.00 C ATOM 855 CD LYS A 54 -9.490 4.110 4.651 1.00 0.00 C ATOM 856 CE LYS A 54 -10.821 4.760 4.328 1.00 0.00 C ATOM 857 NZ LYS A 54 -11.959 3.885 4.702 1.00 0.00 N ATOM 0 H LYS A 54 -6.899 2.881 2.211 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.706 0.509 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.305 1.546 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.255 2.805 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.114 3.178 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.135 2.239 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.465 3.833 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.685 4.827 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.901 5.709 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.868 4.984 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.601 4.402 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.474 3.600 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.601 3.038 5.188 1.00 0.00 H new ATOM 871 N ARG A 55 -9.045 0.398 1.533 1.00 0.00 N ATOM 872 CA ARG A 55 -10.084 -0.420 0.957 1.00 0.00 C ATOM 873 C ARG A 55 -9.539 -1.799 0.570 1.00 0.00 C ATOM 874 O ARG A 55 -10.171 -2.821 0.830 1.00 0.00 O ATOM 875 CB ARG A 55 -10.681 0.281 -0.262 1.00 0.00 C ATOM 876 CG ARG A 55 -11.334 1.620 0.060 1.00 0.00 C ATOM 877 CD ARG A 55 -11.749 2.356 -1.204 1.00 0.00 C ATOM 878 NE ARG A 55 -12.495 3.583 -0.906 1.00 0.00 N ATOM 879 CZ ARG A 55 -12.866 4.487 -1.821 1.00 0.00 C ATOM 880 NH1 ARG A 55 -12.528 4.332 -3.097 1.00 0.00 N ATOM 881 NH2 ARG A 55 -13.571 5.544 -1.454 1.00 0.00 N ATOM 0 H ARG A 55 -8.706 1.140 0.921 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.867 -0.564 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.895 0.438 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.422 -0.374 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.208 1.457 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.639 2.237 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.862 2.604 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.363 1.699 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.749 3.760 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.982 3.520 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.814 5.025 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.831 5.669 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.855 6.234 -2.149 1.00 0.00 H new ATOM 895 N ARG A 56 -8.368 -1.812 -0.060 1.00 0.00 N ATOM 896 CA ARG A 56 -7.732 -3.058 -0.506 1.00 0.00 C ATOM 897 C ARG A 56 -6.511 -3.400 0.352 1.00 0.00 C ATOM 898 O ARG A 56 -5.763 -4.333 0.037 1.00 0.00 O ATOM 899 CB ARG A 56 -7.307 -2.933 -1.969 1.00 0.00 C ATOM 900 CG ARG A 56 -8.433 -2.554 -2.912 1.00 0.00 C ATOM 901 CD ARG A 56 -9.552 -3.578 -2.888 1.00 0.00 C ATOM 902 NE ARG A 56 -10.622 -3.227 -3.813 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.632 -4.031 -4.137 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.696 -5.263 -3.638 1.00 0.00 N ATOM 905 NH2 ARG A 56 -12.574 -3.605 -4.967 1.00 0.00 N ATOM 0 H ARG A 56 -7.834 -0.971 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.462 -3.861 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.518 -2.185 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.879 -3.881 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.828 -1.577 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.044 -2.464 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.154 -4.559 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.954 -3.654 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.595 -2.302 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.969 -5.595 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.472 -5.875 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.524 -2.663 -5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.349 -4.219 -5.217 1.00 0.00 H new ATOM 919 N ASP A 57 -6.327 -2.642 1.417 1.00 0.00 N ATOM 920 CA ASP A 57 -5.150 -2.745 2.296 1.00 0.00 C ATOM 921 C ASP A 57 -4.902 -4.168 2.781 1.00 0.00 C ATOM 922 O ASP A 57 -5.758 -4.785 3.424 1.00 0.00 O ATOM 923 CB ASP A 57 -5.313 -1.807 3.485 1.00 0.00 C ATOM 924 CG ASP A 57 -4.051 -1.636 4.304 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.024 -0.708 5.151 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.079 -2.400 4.104 1.00 0.00 O ATOM 0 H ASP A 57 -6.991 -1.926 1.710 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.279 -2.454 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.636 -0.831 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.105 -2.187 4.130 1.00 0.00 H new ATOM 931 N TYR A 58 -3.740 -4.690 2.430 1.00 0.00 N ATOM 932 CA TYR A 58 -3.335 -6.013 2.845 1.00 0.00 C ATOM 933 C TYR A 58 -2.053 -5.960 3.697 1.00 0.00 C ATOM 934 O TYR A 58 -2.060 -6.332 4.859 1.00 0.00 O ATOM 935 CB TYR A 58 -3.134 -6.905 1.628 1.00 0.00 C ATOM 936 CG TYR A 58 -3.060 -8.378 1.952 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.184 -9.181 1.858 1.00 0.00 C ATOM 938 CD2 TYR A 58 -1.870 -8.962 2.358 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.125 -10.528 2.158 1.00 0.00 C ATOM 940 CE2 TYR A 58 -1.801 -10.305 2.658 1.00 0.00 C ATOM 941 CZ TYR A 58 -2.930 -11.085 2.557 1.00 0.00 C ATOM 942 OH TYR A 58 -2.866 -12.428 2.861 1.00 0.00 O ATOM 0 H TYR A 58 -3.054 -4.206 1.850 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.127 -6.435 3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.953 -6.738 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.216 -6.608 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.122 -8.747 1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.982 -8.354 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.011 -11.141 2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.865 -10.743 2.971 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.951 -12.661 3.124 1.00 0.00 H new ATOM 952 N LEU A 59 -0.955 -5.499 3.092 1.00 0.00 N ATOM 953 CA LEU A 59 0.345 -5.432 3.785 1.00 0.00 C ATOM 954 C LEU A 59 0.460 -4.239 4.711 1.00 0.00 C ATOM 955 O LEU A 59 1.035 -4.344 5.794 1.00 0.00 O ATOM 956 CB LEU A 59 1.502 -5.385 2.784 1.00 0.00 C ATOM 957 CG LEU A 59 2.238 -6.700 2.511 1.00 0.00 C ATOM 958 CD1 LEU A 59 2.738 -7.309 3.806 1.00 0.00 C ATOM 959 CD2 LEU A 59 1.353 -7.675 1.747 1.00 0.00 C ATOM 0 H LEU A 59 -0.935 -5.167 2.128 1.00 0.00 H new ATOM 0 HA LEU A 59 0.403 -6.339 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.115 -5.010 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.230 -4.657 3.142 1.00 0.00 H new ATOM 0 HG LEU A 59 3.103 -6.483 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.258 -8.243 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.423 -6.615 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.893 -7.508 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.901 -8.600 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.459 -7.891 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.064 -7.233 0.793 1.00 0.00 H new ATOM 971 N LYS A 60 -0.081 -3.113 4.291 1.00 0.00 N ATOM 972 CA LYS A 60 0.064 -1.876 5.040 1.00 0.00 C ATOM 973 C LYS A 60 -0.580 -1.993 6.424 1.00 0.00 C ATOM 974 O LYS A 60 -0.006 -1.559 7.424 1.00 0.00 O ATOM 975 CB LYS A 60 -0.526 -0.701 4.248 1.00 0.00 C ATOM 976 CG LYS A 60 0.355 0.550 4.222 1.00 0.00 C ATOM 977 CD LYS A 60 1.705 0.290 3.540 1.00 0.00 C ATOM 978 CE LYS A 60 1.538 -0.078 2.064 1.00 0.00 C ATOM 979 NZ LYS A 60 2.846 -0.239 1.376 1.00 0.00 N ATOM 0 H LYS A 60 -0.627 -3.027 3.434 1.00 0.00 H new ATOM 0 HA LYS A 60 1.127 -1.686 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.707 -1.024 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.494 -0.440 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.168 1.350 3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.525 0.895 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.331 1.178 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.224 -0.516 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.970 -1.005 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.957 0.696 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.706 -0.183 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.493 0.517 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.255 -1.163 1.620 1.00 0.00 H new ATOM 993 N PHE A 61 -1.759 -2.591 6.478 1.00 0.00 N ATOM 994 CA PHE A 61 -2.443 -2.786 7.745 1.00 0.00 C ATOM 995 C PHE A 61 -1.909 -4.032 8.462 1.00 0.00 C ATOM 996 O PHE A 61 -2.063 -4.173 9.679 1.00 0.00 O ATOM 997 CB PHE A 61 -3.969 -2.886 7.543 1.00 0.00 C ATOM 998 CG PHE A 61 -4.509 -4.290 7.472 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.113 -4.860 8.580 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.410 -5.041 6.309 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.604 -6.141 8.535 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.905 -6.328 6.262 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.500 -6.876 7.376 1.00 0.00 C ATOM 0 H PHE A 61 -2.260 -2.948 5.664 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.244 -1.917 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.464 -2.363 8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.234 -2.363 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.199 -4.289 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.942 -4.615 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.071 -6.572 9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.826 -6.905 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.886 -7.884 7.340 1.00 0.00 H new