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=-0.000367 K(o=-0.00037,f=-0.62) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0381 (180deg=-0.275) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.142 F(o=-1.9!,f=-0.14) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.77) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0731 (180deg=-0.423) USER MOD Single : A 38 SER OG : rot 93:sc= 1.12 USER MOD Single : A 39 SER OG : rot -70:sc= -0.0105 USER MOD Single : A 42 SER OG : rot 110:sc= 0.579 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 46 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0.196 (180deg=-0.164) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= -0.0172 (180deg=-0.127) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.69 (180deg=1.62) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.692 11.419 6.128 1.00 0.00 N ATOM 118 CA ARG A 9 7.043 11.013 5.765 1.00 0.00 C ATOM 119 C ARG A 9 7.125 9.542 5.325 1.00 0.00 C ATOM 120 O ARG A 9 7.592 9.253 4.228 1.00 0.00 O ATOM 121 CB ARG A 9 8.030 11.293 6.913 1.00 0.00 C ATOM 122 CG ARG A 9 7.584 10.758 8.264 1.00 0.00 C ATOM 123 CD ARG A 9 8.720 10.751 9.267 1.00 0.00 C ATOM 124 NE ARG A 9 9.226 12.088 9.571 1.00 0.00 N ATOM 125 CZ ARG A 9 10.241 12.322 10.407 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.877 11.303 10.986 1.00 0.00 N ATOM 127 NH2 ARG A 9 10.623 13.569 10.658 1.00 0.00 N ATOM 0 HA ARG A 9 7.327 11.617 4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.996 10.854 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.181 12.370 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.766 11.369 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.197 9.746 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.379 10.280 10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.535 10.140 8.879 1.00 0.00 H new ATOM 0 HE ARG A 9 8.779 12.886 9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.588 10.344 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.652 11.482 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.141 14.350 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.398 13.746 11.297 1.00 0.00 H new ATOM 141 N GLN A 10 6.644 8.629 6.165 1.00 0.00 N ATOM 142 CA GLN A 10 6.739 7.189 5.886 1.00 0.00 C ATOM 143 C GLN A 10 5.978 6.813 4.623 1.00 0.00 C ATOM 144 O GLN A 10 6.490 6.088 3.775 1.00 0.00 O ATOM 145 CB GLN A 10 6.232 6.376 7.092 1.00 0.00 C ATOM 146 CG GLN A 10 6.091 4.868 6.848 1.00 0.00 C ATOM 147 CD GLN A 10 7.375 4.207 6.364 1.00 0.00 C ATOM 148 OE1 GLN A 10 8.477 4.667 6.663 1.00 0.00 O ATOM 149 NE2 GLN A 10 7.237 3.111 5.634 1.00 0.00 N ATOM 0 H GLN A 10 6.183 8.856 7.046 1.00 0.00 H new ATOM 0 HA GLN A 10 7.789 6.949 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.915 6.531 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.263 6.771 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.770 4.387 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.305 4.699 6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.305 2.763 5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.062 2.615 5.297 1.00 0.00 H new ATOM 158 N VAL A 11 4.773 7.316 4.498 1.00 0.00 N ATOM 159 CA VAL A 11 3.940 7.022 3.346 1.00 0.00 C ATOM 160 C VAL A 11 4.551 7.550 2.048 1.00 0.00 C ATOM 161 O VAL A 11 4.642 6.824 1.064 1.00 0.00 O ATOM 162 CB VAL A 11 2.514 7.582 3.533 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.695 7.448 2.257 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.830 6.858 4.675 1.00 0.00 C ATOM 0 H VAL A 11 4.341 7.936 5.183 1.00 0.00 H new ATOM 0 HA VAL A 11 3.881 5.936 3.268 1.00 0.00 H new ATOM 0 HB VAL A 11 2.589 8.644 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.696 7.851 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.181 8.000 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.621 6.396 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.823 7.254 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.774 5.793 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.400 7.005 5.592 1.00 0.00 H new ATOM 174 N CYS A 12 4.996 8.796 2.056 1.00 0.00 N ATOM 175 CA CYS A 12 5.555 9.400 0.852 1.00 0.00 C ATOM 176 C CYS A 12 6.901 8.760 0.489 1.00 0.00 C ATOM 177 O CYS A 12 7.169 8.467 -0.691 1.00 0.00 O ATOM 178 CB CYS A 12 5.713 10.907 1.030 1.00 0.00 C ATOM 179 SG CYS A 12 5.753 11.839 -0.533 1.00 0.00 S ATOM 0 H CYS A 12 4.983 9.406 2.873 1.00 0.00 H new ATOM 0 HA CYS A 12 4.860 9.218 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.890 11.278 1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.633 11.103 1.581 1.00 0.00 H new ATOM 184 N TRP A 13 7.741 8.536 1.499 1.00 0.00 N ATOM 185 CA TRP A 13 9.035 7.900 1.293 1.00 0.00 C ATOM 186 C TRP A 13 8.823 6.478 0.804 1.00 0.00 C ATOM 187 O TRP A 13 9.436 6.044 -0.177 1.00 0.00 O ATOM 188 CB TRP A 13 9.843 7.895 2.602 1.00 0.00 C ATOM 189 CG TRP A 13 11.248 7.376 2.460 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.640 6.070 2.369 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.449 8.158 2.409 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.005 5.994 2.250 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.526 7.260 2.276 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.717 9.529 2.459 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.847 7.690 2.192 1.00 0.00 C ATOM 196 CZ3 TRP A 13 14.029 9.954 2.376 1.00 0.00 C ATOM 197 CH2 TRP A 13 15.079 9.038 2.245 1.00 0.00 C ATOM 0 H TRP A 13 7.545 8.787 2.468 1.00 0.00 H new ATOM 0 HA TRP A 13 9.596 8.461 0.545 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.881 8.911 2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.316 7.288 3.338 1.00 0.00 H new ATOM 0 HD1 TRP A 13 10.973 5.221 2.388 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.544 5.133 2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.913 10.243 2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.659 6.986 2.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.248 11.011 2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 13 16.094 9.402 2.184 1.00 0.00 H new ATOM 208 N GLY A 14 7.931 5.769 1.485 1.00 0.00 N ATOM 209 CA GLY A 14 7.623 4.408 1.128 1.00 0.00 C ATOM 210 C GLY A 14 7.077 4.294 -0.270 1.00 0.00 C ATOM 211 O GLY A 14 7.482 3.431 -1.010 1.00 0.00 O ATOM 0 H GLY A 14 7.412 6.124 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.523 3.799 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.896 4.005 1.834 1.00 0.00 H new ATOM 215 N ALA A 15 6.173 5.197 -0.636 1.00 0.00 N ATOM 216 CA ALA A 15 5.560 5.189 -1.964 1.00 0.00 C ATOM 217 C ALA A 15 6.615 5.278 -3.058 1.00 0.00 C ATOM 218 O ALA A 15 6.573 4.540 -4.048 1.00 0.00 O ATOM 219 CB ALA A 15 4.578 6.341 -2.098 1.00 0.00 C ATOM 0 H ALA A 15 5.846 5.949 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 15 5.026 4.246 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.129 6.323 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.796 6.242 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.103 7.285 -1.954 1.00 0.00 H new ATOM 225 N ARG A 16 7.570 6.171 -2.868 1.00 0.00 N ATOM 226 CA ARG A 16 8.633 6.366 -3.838 1.00 0.00 C ATOM 227 C ARG A 16 9.549 5.151 -3.896 1.00 0.00 C ATOM 228 O ARG A 16 9.961 4.720 -4.978 1.00 0.00 O ATOM 229 CB ARG A 16 9.435 7.616 -3.497 1.00 0.00 C ATOM 230 CG ARG A 16 10.561 7.904 -4.473 1.00 0.00 C ATOM 231 CD ARG A 16 11.248 9.215 -4.154 1.00 0.00 C ATOM 232 NE ARG A 16 10.320 10.342 -4.208 1.00 0.00 N ATOM 233 CZ ARG A 16 10.522 11.449 -4.920 1.00 0.00 C ATOM 234 NH1 ARG A 16 11.627 11.589 -5.647 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.612 12.416 -4.908 1.00 0.00 N ATOM 0 H ARG A 16 7.631 6.774 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 16 8.178 6.495 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.762 8.473 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.853 7.507 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.289 7.093 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.165 7.937 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.694 9.159 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.062 9.380 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 16 9.460 10.277 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.326 10.846 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.776 12.439 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.762 12.309 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.763 13.265 -5.452 1.00 0.00 H new ATOM 249 N ASP A 17 9.854 4.599 -2.737 1.00 0.00 N ATOM 250 CA ASP A 17 10.725 3.432 -2.645 1.00 0.00 C ATOM 251 C ASP A 17 10.006 2.195 -3.183 1.00 0.00 C ATOM 252 O ASP A 17 10.616 1.315 -3.800 1.00 0.00 O ATOM 253 CB ASP A 17 11.155 3.221 -1.190 1.00 0.00 C ATOM 254 CG ASP A 17 12.268 2.210 -1.041 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.422 2.532 -1.407 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.011 1.105 -0.534 1.00 0.00 O ATOM 0 H ASP A 17 9.511 4.939 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 17 11.616 3.599 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.479 4.174 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.294 2.893 -0.607 1.00 0.00 H new ATOM 261 N GLU A 18 8.698 2.155 -2.967 1.00 0.00 N ATOM 262 CA GLU A 18 7.857 1.068 -3.435 1.00 0.00 C ATOM 263 C GLU A 18 7.656 1.130 -4.936 1.00 0.00 C ATOM 264 O GLU A 18 7.305 0.129 -5.562 1.00 0.00 O ATOM 265 CB GLU A 18 6.507 1.069 -2.721 1.00 0.00 C ATOM 266 CG GLU A 18 6.562 0.524 -1.304 1.00 0.00 C ATOM 267 CD GLU A 18 5.194 0.392 -0.683 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.439 -0.519 -1.090 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.869 1.177 0.229 1.00 0.00 O ATOM 0 H GLU A 18 8.191 2.880 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 18 8.372 0.137 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.122 2.088 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.799 0.476 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.050 -0.451 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.175 1.182 -0.688 1.00 0.00 H new ATOM 276 N TYR A 19 7.855 2.305 -5.517 1.00 0.00 N ATOM 277 CA TYR A 19 7.745 2.449 -6.956 1.00 0.00 C ATOM 278 C TYR A 19 8.763 1.527 -7.633 1.00 0.00 C ATOM 279 O TYR A 19 8.509 0.972 -8.702 1.00 0.00 O ATOM 280 CB TYR A 19 7.961 3.901 -7.374 1.00 0.00 C ATOM 281 CG TYR A 19 7.417 4.222 -8.744 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.069 4.502 -8.922 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.243 4.242 -9.859 1.00 0.00 C ATOM 284 CE1 TYR A 19 5.560 4.793 -10.168 1.00 0.00 C ATOM 285 CE2 TYR A 19 7.740 4.534 -11.110 1.00 0.00 C ATOM 286 CZ TYR A 19 6.400 4.808 -11.259 1.00 0.00 C ATOM 287 OH TYR A 19 5.896 5.098 -12.503 1.00 0.00 O ATOM 0 H TYR A 19 8.091 3.162 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 19 6.741 2.165 -7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.488 4.555 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.028 4.121 -7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.408 4.491 -8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.295 4.026 -9.746 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.509 5.008 -10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.395 4.547 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 19 6.619 5.068 -13.164 1.00 0.00 H new ATOM 297 N TRP A 20 9.915 1.368 -6.987 1.00 0.00 N ATOM 298 CA TRP A 20 10.925 0.434 -7.444 1.00 0.00 C ATOM 299 C TRP A 20 10.551 -0.972 -6.983 1.00 0.00 C ATOM 300 O TRP A 20 10.271 -1.854 -7.796 1.00 0.00 O ATOM 301 CB TRP A 20 12.311 0.831 -6.911 1.00 0.00 C ATOM 302 CG TRP A 20 13.370 -0.208 -7.147 1.00 0.00 C ATOM 303 CD1 TRP A 20 14.096 -0.863 -6.196 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.807 -0.724 -8.411 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.959 -1.748 -6.789 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.802 -1.682 -8.146 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.457 -0.468 -9.740 1.00 0.00 C ATOM 308 CZ2 TRP A 20 15.448 -2.385 -9.156 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.099 -1.169 -10.742 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.085 -2.116 -10.445 1.00 0.00 C ATOM 0 H TRP A 20 10.168 1.880 -6.142 1.00 0.00 H new ATOM 0 HA TRP A 20 10.970 0.455 -8.533 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.618 1.764 -7.383 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.237 1.025 -5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.004 -0.707 -5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.613 -2.357 -6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.699 0.264 -9.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.209 -3.117 -8.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.835 -0.983 -11.773 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.569 -2.646 -11.252 1.00 0.00 H new ATOM 321 N LYS A 21 10.520 -1.162 -5.674 1.00 0.00 N ATOM 322 CA LYS A 21 10.137 -2.433 -5.087 1.00 0.00 C ATOM 323 C LYS A 21 8.998 -2.208 -4.111 1.00 0.00 C ATOM 324 O LYS A 21 9.201 -1.688 -3.013 1.00 0.00 O ATOM 325 CB LYS A 21 11.328 -3.095 -4.388 1.00 0.00 C ATOM 326 CG LYS A 21 10.997 -4.433 -3.741 1.00 0.00 C ATOM 327 CD LYS A 21 12.206 -5.018 -3.033 1.00 0.00 C ATOM 328 CE LYS A 21 11.888 -6.370 -2.412 1.00 0.00 C ATOM 329 NZ LYS A 21 11.479 -7.371 -3.432 1.00 0.00 N ATOM 0 H LYS A 21 10.759 -0.442 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 21 9.806 -3.106 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.128 -3.241 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.711 -2.418 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.183 -4.303 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.646 -5.130 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.027 -5.126 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.543 -4.330 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.763 -6.737 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.090 -6.253 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.501 -8.323 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.515 -7.159 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.134 -7.332 -4.239 1.00 0.00 H new ATOM 343 N CYS A 22 7.803 -2.578 -4.526 1.00 0.00 N ATOM 344 CA CYS A 22 6.603 -2.342 -3.738 1.00 0.00 C ATOM 345 C CYS A 22 6.464 -3.315 -2.582 1.00 0.00 C ATOM 346 O CYS A 22 6.999 -4.426 -2.624 1.00 0.00 O ATOM 347 CB CYS A 22 5.373 -2.408 -4.637 1.00 0.00 C ATOM 348 SG CYS A 22 5.363 -3.834 -5.769 1.00 0.00 S ATOM 0 H CYS A 22 7.633 -3.049 -5.415 1.00 0.00 H new ATOM 0 HA CYS A 22 6.689 -1.346 -3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.480 -2.446 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.314 -1.491 -5.223 1.00 0.00 H new ATOM 353 N LEU A 23 5.737 -2.874 -1.553 1.00 0.00 N ATOM 354 CA LEU A 23 5.468 -3.662 -0.361 1.00 0.00 C ATOM 355 C LEU A 23 6.741 -4.020 0.377 1.00 0.00 C ATOM 356 O LEU A 23 7.045 -5.186 0.618 1.00 0.00 O ATOM 357 CB LEU A 23 4.627 -4.887 -0.695 1.00 0.00 C ATOM 358 CG LEU A 23 3.276 -4.568 -1.337 1.00 0.00 C ATOM 359 CD1 LEU A 23 2.463 -5.818 -1.516 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.513 -3.545 -0.515 1.00 0.00 C ATOM 0 H LEU A 23 5.315 -1.946 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 23 4.883 -3.045 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.194 -5.529 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.456 -5.456 0.219 1.00 0.00 H new ATOM 0 HG LEU A 23 3.464 -4.139 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.506 -5.567 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.002 -6.514 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.290 -6.282 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.556 -3.335 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.340 -3.939 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.094 -2.625 -0.448 1.00 0.00 H new ATOM 372 N ASP A 24 7.481 -2.984 0.709 1.00 0.00 N ATOM 373 CA ASP A 24 8.732 -3.075 1.456 1.00 0.00 C ATOM 374 C ASP A 24 8.474 -3.350 2.944 1.00 0.00 C ATOM 375 O ASP A 24 9.380 -3.723 3.691 1.00 0.00 O ATOM 376 CB ASP A 24 9.516 -1.767 1.282 1.00 0.00 C ATOM 377 CG ASP A 24 10.796 -1.710 2.095 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.722 -2.504 1.825 1.00 0.00 O ATOM 379 OD2 ASP A 24 10.890 -0.850 2.996 1.00 0.00 O ATOM 0 H ASP A 24 7.229 -2.027 0.464 1.00 0.00 H new ATOM 0 HA ASP A 24 9.315 -3.909 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.760 -1.637 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.878 -0.931 1.567 1.00 0.00 H new ATOM 384 N GLU A 25 7.242 -3.154 3.369 1.00 0.00 N ATOM 385 CA GLU A 25 6.891 -3.275 4.776 1.00 0.00 C ATOM 386 C GLU A 25 6.922 -4.727 5.312 1.00 0.00 C ATOM 387 O GLU A 25 7.669 -5.017 6.251 1.00 0.00 O ATOM 388 CB GLU A 25 5.553 -2.577 5.074 1.00 0.00 C ATOM 389 CG GLU A 25 4.295 -3.232 4.516 1.00 0.00 C ATOM 390 CD GLU A 25 4.364 -3.532 3.047 1.00 0.00 C ATOM 391 OE1 GLU A 25 4.184 -2.602 2.241 1.00 0.00 O ATOM 392 OE2 GLU A 25 4.607 -4.708 2.697 1.00 0.00 O ATOM 0 H GLU A 25 6.462 -2.909 2.760 1.00 0.00 H new ATOM 0 HA GLU A 25 7.676 -2.758 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.444 -2.500 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.607 -1.560 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.110 -4.160 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.443 -2.578 4.703 1.00 0.00 H new ATOM 399 N ASN A 26 6.124 -5.623 4.736 1.00 0.00 N ATOM 400 CA ASN A 26 6.110 -7.017 5.195 1.00 0.00 C ATOM 401 C ASN A 26 6.501 -7.970 4.097 1.00 0.00 C ATOM 402 O ASN A 26 7.013 -9.054 4.371 1.00 0.00 O ATOM 403 CB ASN A 26 4.735 -7.423 5.735 1.00 0.00 C ATOM 404 CG ASN A 26 4.380 -6.734 7.024 1.00 0.00 C ATOM 405 OD1 ASN A 26 3.641 -5.658 6.925 1.00 0.00 O flip ATOM 406 ND2 ASN A 26 4.741 -7.195 8.109 1.00 0.00 N flip ATOM 0 H ASN A 26 5.488 -5.419 3.965 1.00 0.00 H new ATOM 0 HA ASN A 26 6.843 -7.077 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.976 -7.195 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.716 -8.502 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.317 -8.036 8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.464 -6.735 8.976 1.00 0.00 H new ATOM 413 N LEU A 27 6.260 -7.567 2.844 1.00 0.00 N ATOM 414 CA LEU A 27 6.583 -8.400 1.673 1.00 0.00 C ATOM 415 C LEU A 27 5.876 -9.767 1.751 1.00 0.00 C ATOM 416 O LEU A 27 6.239 -10.708 1.050 1.00 0.00 O ATOM 417 CB LEU A 27 8.112 -8.608 1.545 1.00 0.00 C ATOM 418 CG LEU A 27 8.980 -7.343 1.400 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.162 -6.636 2.736 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.326 -7.689 0.791 1.00 0.00 C ATOM 0 H LEU A 27 5.841 -6.667 2.611 1.00 0.00 H new ATOM 0 HA LEU A 27 6.225 -7.872 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.454 -9.155 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.296 -9.246 0.681 1.00 0.00 H new ATOM 0 HG LEU A 27 8.460 -6.657 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.779 -5.748 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.188 -6.343 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.649 -7.310 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.926 -6.784 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.844 -8.402 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.177 -8.131 -0.194 1.00 0.00 H new ATOM 432 N GLU A 28 4.846 -9.845 2.587 1.00 0.00 N ATOM 433 CA GLU A 28 4.126 -11.091 2.828 1.00 0.00 C ATOM 434 C GLU A 28 3.325 -11.525 1.597 1.00 0.00 C ATOM 435 O GLU A 28 3.212 -12.714 1.310 1.00 0.00 O ATOM 436 CB GLU A 28 3.202 -10.935 4.049 1.00 0.00 C ATOM 437 CG GLU A 28 2.482 -12.204 4.469 1.00 0.00 C ATOM 438 CD GLU A 28 3.421 -13.258 5.004 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.758 -13.203 6.204 1.00 0.00 O ATOM 440 OE2 GLU A 28 3.826 -14.144 4.233 1.00 0.00 O ATOM 0 H GLU A 28 4.487 -9.049 3.115 1.00 0.00 H new ATOM 0 HA GLU A 28 4.858 -11.872 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.793 -10.574 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.459 -10.168 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.742 -11.961 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.938 -12.608 3.615 1.00 0.00 H new ATOM 447 N ASP A 29 2.787 -10.557 0.872 1.00 0.00 N ATOM 448 CA ASP A 29 2.002 -10.846 -0.310 1.00 0.00 C ATOM 449 C ASP A 29 2.236 -9.797 -1.372 1.00 0.00 C ATOM 450 O ASP A 29 1.565 -8.775 -1.410 1.00 0.00 O ATOM 451 CB ASP A 29 0.520 -10.918 0.017 1.00 0.00 C ATOM 452 CG ASP A 29 -0.283 -11.447 -1.154 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.456 -12.675 -1.248 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.723 -10.647 -1.993 1.00 0.00 O ATOM 0 H ASP A 29 2.882 -9.564 1.085 1.00 0.00 H new ATOM 0 HA ASP A 29 2.322 -11.817 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.369 -11.562 0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.158 -9.927 0.289 1.00 0.00 H new ATOM 459 N ALA A 30 3.193 -10.048 -2.220 1.00 0.00 N ATOM 460 CA ALA A 30 3.536 -9.120 -3.282 1.00 0.00 C ATOM 461 C ALA A 30 2.428 -9.020 -4.336 1.00 0.00 C ATOM 462 O ALA A 30 2.443 -8.121 -5.175 1.00 0.00 O ATOM 463 CB ALA A 30 4.859 -9.506 -3.922 1.00 0.00 C ATOM 0 H ALA A 30 3.760 -10.895 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 30 3.642 -8.133 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.099 -8.799 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.647 -9.487 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.781 -10.509 -4.341 1.00 0.00 H new ATOM 469 N SER A 31 1.468 -9.932 -4.281 1.00 0.00 N ATOM 470 CA SER A 31 0.371 -9.945 -5.233 1.00 0.00 C ATOM 471 C SER A 31 -0.543 -8.726 -5.030 1.00 0.00 C ATOM 472 O SER A 31 -1.163 -8.239 -5.977 1.00 0.00 O ATOM 473 CB SER A 31 -0.430 -11.253 -5.107 1.00 0.00 C ATOM 474 OG SER A 31 -1.415 -11.369 -6.128 1.00 0.00 O ATOM 0 H SER A 31 1.428 -10.675 -3.583 1.00 0.00 H new ATOM 0 HA SER A 31 0.787 -9.890 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.251 -12.103 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.912 -11.291 -4.130 1.00 0.00 H new ATOM 0 HG SER A 31 -1.903 -12.212 -6.018 1.00 0.00 H new ATOM 480 N GLN A 32 -0.598 -8.221 -3.802 1.00 0.00 N ATOM 481 CA GLN A 32 -1.441 -7.071 -3.482 1.00 0.00 C ATOM 482 C GLN A 32 -0.737 -5.757 -3.799 1.00 0.00 C ATOM 483 O GLN A 32 -1.302 -4.678 -3.610 1.00 0.00 O ATOM 484 CB GLN A 32 -1.852 -7.095 -2.009 1.00 0.00 C ATOM 485 CG GLN A 32 -2.727 -8.279 -1.641 1.00 0.00 C ATOM 486 CD GLN A 32 -4.015 -8.316 -2.433 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.555 -7.279 -2.819 1.00 0.00 O ATOM 488 NE2 GLN A 32 -4.506 -9.508 -2.698 1.00 0.00 N ATOM 0 H GLN A 32 -0.069 -8.589 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.334 -7.140 -4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.955 -7.111 -1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.385 -6.173 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.173 -9.202 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.960 -8.238 -0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.028 -10.343 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.364 -9.597 -3.242 1.00 0.00 H new ATOM 497 N CYS A 33 0.489 -5.852 -4.295 1.00 0.00 N ATOM 498 CA CYS A 33 1.276 -4.671 -4.622 1.00 0.00 C ATOM 499 C CYS A 33 0.619 -3.843 -5.696 1.00 0.00 C ATOM 500 O CYS A 33 0.710 -2.626 -5.679 1.00 0.00 O ATOM 501 CB CYS A 33 2.688 -5.057 -5.047 1.00 0.00 C ATOM 502 SG CYS A 33 3.427 -3.984 -6.327 1.00 0.00 S ATOM 0 H CYS A 33 0.961 -6.737 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 33 1.335 -4.065 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.332 -5.045 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.673 -6.082 -5.417 1.00 0.00 H new ATOM 507 N LYS A 34 -0.057 -4.503 -6.616 1.00 0.00 N ATOM 508 CA LYS A 34 -0.717 -3.820 -7.709 1.00 0.00 C ATOM 509 C LYS A 34 -1.660 -2.744 -7.174 1.00 0.00 C ATOM 510 O LYS A 34 -1.526 -1.567 -7.509 1.00 0.00 O ATOM 511 CB LYS A 34 -1.472 -4.827 -8.578 1.00 0.00 C ATOM 512 CG LYS A 34 -0.597 -5.979 -9.059 1.00 0.00 C ATOM 513 CD LYS A 34 -1.352 -6.929 -9.974 1.00 0.00 C ATOM 514 CE LYS A 34 -1.694 -6.275 -11.302 1.00 0.00 C ATOM 515 NZ LYS A 34 -2.319 -7.232 -12.246 1.00 0.00 N ATOM 0 H LYS A 34 -0.163 -5.517 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 34 0.036 -3.331 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.312 -5.229 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.889 -4.310 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.269 -5.580 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.219 -6.530 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.749 -7.820 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.268 -7.257 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.372 -5.439 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.788 -5.864 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.537 -6.746 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.662 -8.017 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.197 -7.605 -11.832 1.00 0.00 H new ATOM 529 N LYS A 35 -2.569 -3.146 -6.305 1.00 0.00 N ATOM 530 CA LYS A 35 -3.532 -2.220 -5.720 1.00 0.00 C ATOM 531 C LYS A 35 -2.858 -1.255 -4.749 1.00 0.00 C ATOM 532 O LYS A 35 -3.007 -0.036 -4.871 1.00 0.00 O ATOM 533 CB LYS A 35 -4.654 -2.982 -4.999 1.00 0.00 C ATOM 534 CG LYS A 35 -5.794 -3.440 -5.904 1.00 0.00 C ATOM 535 CD LYS A 35 -5.334 -4.425 -6.963 1.00 0.00 C ATOM 536 CE LYS A 35 -6.473 -4.793 -7.898 1.00 0.00 C ATOM 537 NZ LYS A 35 -7.008 -3.606 -8.613 1.00 0.00 N ATOM 0 H LYS A 35 -2.664 -4.110 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.963 -1.642 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.225 -3.855 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.063 -2.344 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.573 -3.901 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.240 -2.572 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.514 -3.991 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.947 -5.325 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.124 -5.527 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.273 -5.264 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.539 -3.916 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.640 -3.075 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.220 -2.994 -8.908 1.00 0.00 H new ATOM 551 N LEU A 36 -2.105 -1.805 -3.806 1.00 0.00 N ATOM 552 CA LEU A 36 -1.473 -1.005 -2.763 1.00 0.00 C ATOM 553 C LEU A 36 -0.491 0.028 -3.327 1.00 0.00 C ATOM 554 O LEU A 36 -0.579 1.212 -2.995 1.00 0.00 O ATOM 555 CB LEU A 36 -0.791 -1.903 -1.722 1.00 0.00 C ATOM 556 CG LEU A 36 -1.730 -2.848 -0.948 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.971 -3.614 0.115 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.876 -2.077 -0.327 1.00 0.00 C ATOM 0 H LEU A 36 -1.916 -2.805 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.267 -0.445 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.033 -2.503 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.270 -1.268 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.142 -3.566 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.656 -4.274 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.187 -4.208 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.523 -2.913 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.526 -2.764 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.481 -1.331 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.447 -1.579 -1.111 1.00 0.00 H new ATOM 570 N ARG A 37 0.435 -0.402 -4.191 1.00 0.00 N ATOM 571 CA ARG A 37 1.402 0.538 -4.759 1.00 0.00 C ATOM 572 C ARG A 37 0.696 1.613 -5.575 1.00 0.00 C ATOM 573 O ARG A 37 1.044 2.787 -5.490 1.00 0.00 O ATOM 574 CB ARG A 37 2.436 -0.157 -5.634 1.00 0.00 C ATOM 575 CG ARG A 37 3.698 0.669 -5.832 1.00 0.00 C ATOM 576 CD ARG A 37 4.451 0.258 -7.081 1.00 0.00 C ATOM 577 NE ARG A 37 3.930 0.923 -8.275 1.00 0.00 N ATOM 578 CZ ARG A 37 4.483 0.849 -9.482 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.564 0.100 -9.686 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.952 1.527 -10.486 1.00 0.00 N ATOM 0 H ARG A 37 0.534 -1.368 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 37 1.921 0.996 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.701 -1.113 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.994 -0.374 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.435 1.725 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.346 0.556 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.508 0.498 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.382 -0.822 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 37 3.083 1.483 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.975 -0.423 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.981 0.049 -10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.124 2.102 -10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.371 1.475 -11.415 1.00 0.00 H new ATOM 594 N SER A 38 -0.305 1.207 -6.367 1.00 0.00 N ATOM 595 CA SER A 38 -1.055 2.161 -7.185 1.00 0.00 C ATOM 596 C SER A 38 -1.707 3.249 -6.334 1.00 0.00 C ATOM 597 O SER A 38 -1.831 4.394 -6.772 1.00 0.00 O ATOM 598 CB SER A 38 -2.109 1.454 -8.030 1.00 0.00 C ATOM 599 OG SER A 38 -1.507 0.674 -9.053 1.00 0.00 O ATOM 0 H SER A 38 -0.609 0.238 -6.457 1.00 0.00 H new ATOM 0 HA SER A 38 -0.337 2.639 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.721 0.815 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.776 2.191 -8.476 1.00 0.00 H new ATOM 0 HG SER A 38 -1.375 -0.242 -8.731 1.00 0.00 H new ATOM 605 N SER A 39 -2.108 2.896 -5.121 1.00 0.00 N ATOM 606 CA SER A 39 -2.734 3.851 -4.228 1.00 0.00 C ATOM 607 C SER A 39 -1.688 4.804 -3.637 1.00 0.00 C ATOM 608 O SER A 39 -1.932 6.001 -3.497 1.00 0.00 O ATOM 609 CB SER A 39 -3.489 3.125 -3.111 1.00 0.00 C ATOM 610 OG SER A 39 -4.307 4.026 -2.384 1.00 0.00 O ATOM 0 H SER A 39 -2.010 1.956 -4.736 1.00 0.00 H new ATOM 0 HA SER A 39 -3.449 4.440 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.104 2.333 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.778 2.648 -2.436 1.00 0.00 H new ATOM 0 HG SER A 39 -3.742 4.626 -1.854 1.00 0.00 H new ATOM 616 N PHE A 40 -0.522 4.269 -3.321 1.00 0.00 N ATOM 617 CA PHE A 40 0.557 5.048 -2.731 1.00 0.00 C ATOM 618 C PHE A 40 1.223 5.989 -3.736 1.00 0.00 C ATOM 619 O PHE A 40 1.636 7.091 -3.385 1.00 0.00 O ATOM 620 CB PHE A 40 1.594 4.114 -2.122 1.00 0.00 C ATOM 621 CG PHE A 40 1.355 3.823 -0.672 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.249 3.096 -0.268 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.232 4.288 0.292 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.023 2.841 1.068 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.013 4.035 1.628 1.00 0.00 C ATOM 626 CZ PHE A 40 0.908 3.312 2.016 1.00 0.00 C ATOM 0 H PHE A 40 -0.295 3.285 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 40 0.117 5.673 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.598 3.176 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.583 4.557 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.445 2.724 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.100 4.857 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.845 2.274 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.707 4.403 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.734 3.113 3.063 1.00 0.00 H new ATOM 636 N GLU A 41 1.291 5.569 -4.981 1.00 0.00 N ATOM 637 CA GLU A 41 1.964 6.350 -6.017 1.00 0.00 C ATOM 638 C GLU A 41 1.055 7.428 -6.559 1.00 0.00 C ATOM 639 O GLU A 41 1.449 8.210 -7.429 1.00 0.00 O ATOM 640 CB GLU A 41 2.436 5.462 -7.159 1.00 0.00 C ATOM 641 CG GLU A 41 1.307 4.793 -7.924 1.00 0.00 C ATOM 642 CD GLU A 41 1.789 4.038 -9.138 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.999 2.813 -9.038 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.953 4.668 -10.209 1.00 0.00 O ATOM 0 H GLU A 41 0.890 4.690 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 41 2.833 6.817 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.027 6.061 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.097 4.693 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.781 4.107 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.587 5.550 -8.235 1.00 0.00 H new ATOM 651 N SER A 42 -0.164 7.446 -6.062 1.00 0.00 N ATOM 652 CA SER A 42 -1.169 8.387 -6.503 1.00 0.00 C ATOM 653 C SER A 42 -0.671 9.821 -6.382 1.00 0.00 C ATOM 654 O SER A 42 -0.776 10.613 -7.320 1.00 0.00 O ATOM 655 CB SER A 42 -2.433 8.203 -5.675 1.00 0.00 C ATOM 656 OG SER A 42 -2.978 6.908 -5.849 1.00 0.00 O ATOM 0 H SER A 42 -0.486 6.805 -5.337 1.00 0.00 H new ATOM 0 HA SER A 42 -1.386 8.195 -7.554 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.207 8.366 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.171 8.952 -5.962 1.00 0.00 H new ATOM 0 HG SER A 42 -2.854 6.388 -5.028 1.00 0.00 H new ATOM 662 N SER A 43 -0.123 10.150 -5.228 1.00 0.00 N ATOM 663 CA SER A 43 0.358 11.495 -4.986 1.00 0.00 C ATOM 664 C SER A 43 1.515 11.508 -3.990 1.00 0.00 C ATOM 665 O SER A 43 2.681 11.536 -4.386 1.00 0.00 O ATOM 666 CB SER A 43 -0.783 12.396 -4.501 1.00 0.00 C ATOM 667 OG SER A 43 -1.835 12.433 -5.446 1.00 0.00 O ATOM 0 H SER A 43 -0.000 9.506 -4.446 1.00 0.00 H new ATOM 0 HA SER A 43 0.734 11.886 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.160 12.030 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.407 13.405 -4.330 1.00 0.00 H new ATOM 0 HG SER A 43 -2.552 13.013 -5.114 1.00 0.00 H new ATOM 673 N CYS A 44 1.173 11.462 -2.698 1.00 0.00 N ATOM 674 CA CYS A 44 2.154 11.523 -1.610 1.00 0.00 C ATOM 675 C CYS A 44 1.459 11.600 -0.224 1.00 0.00 C ATOM 676 O CYS A 44 1.817 10.849 0.684 1.00 0.00 O ATOM 677 CB CYS A 44 3.116 12.717 -1.797 1.00 0.00 C ATOM 678 SG CYS A 44 4.171 13.093 -0.358 1.00 0.00 S ATOM 0 H CYS A 44 0.208 11.381 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 44 2.736 10.602 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.757 12.516 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.528 13.603 -2.038 1.00 0.00 H new ATOM 683 N PRO A 45 0.453 12.518 -0.031 1.00 0.00 N ATOM 684 CA PRO A 45 -0.261 12.639 1.251 1.00 0.00 C ATOM 685 C PRO A 45 -1.047 11.376 1.609 1.00 0.00 C ATOM 686 O PRO A 45 -1.800 10.840 0.786 1.00 0.00 O ATOM 687 CB PRO A 45 -1.221 13.818 1.028 1.00 0.00 C ATOM 688 CG PRO A 45 -1.362 13.920 -0.447 1.00 0.00 C ATOM 689 CD PRO A 45 -0.038 13.507 -1.011 1.00 0.00 C ATOM 0 HA PRO A 45 0.432 12.788 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.184 13.639 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.821 14.739 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.161 13.273 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.615 14.937 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.142 13.072 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.642 14.354 -1.104 1.00 0.00 H new ATOM 697 N GLN A 46 -0.886 10.930 2.849 1.00 0.00 N ATOM 698 CA GLN A 46 -1.541 9.720 3.342 1.00 0.00 C ATOM 699 C GLN A 46 -3.052 9.893 3.390 1.00 0.00 C ATOM 700 O GLN A 46 -3.790 8.918 3.370 1.00 0.00 O ATOM 701 CB GLN A 46 -1.011 9.369 4.730 1.00 0.00 C ATOM 702 CG GLN A 46 -1.499 8.035 5.269 1.00 0.00 C ATOM 703 CD GLN A 46 -0.978 7.757 6.660 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.776 8.672 7.454 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.735 6.500 6.955 1.00 0.00 N ATOM 0 H GLN A 46 -0.299 11.395 3.542 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.315 8.907 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.078 9.357 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.301 10.156 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.589 8.027 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.183 7.236 4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.917 5.770 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.364 6.254 7.873 1.00 0.00 H new ATOM 714 N GLN A 47 -3.495 11.140 3.456 1.00 0.00 N ATOM 715 CA GLN A 47 -4.917 11.469 3.496 1.00 0.00 C ATOM 716 C GLN A 47 -5.690 10.731 2.394 1.00 0.00 C ATOM 717 O GLN A 47 -6.547 9.880 2.679 1.00 0.00 O ATOM 718 CB GLN A 47 -5.098 12.980 3.344 1.00 0.00 C ATOM 719 CG GLN A 47 -4.419 13.789 4.439 1.00 0.00 C ATOM 720 CD GLN A 47 -4.374 15.269 4.130 1.00 0.00 C ATOM 721 OE1 GLN A 47 -3.419 15.761 3.525 1.00 0.00 O ATOM 722 NE2 GLN A 47 -5.399 15.991 4.538 1.00 0.00 N ATOM 0 H GLN A 47 -2.881 11.954 3.483 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.318 11.148 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.702 13.289 2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.163 13.211 3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.948 13.635 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.403 13.421 4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.170 15.546 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.421 16.994 4.356 1.00 0.00 H new ATOM 731 N TRP A 48 -5.366 11.029 1.143 1.00 0.00 N ATOM 732 CA TRP A 48 -6.041 10.392 0.025 1.00 0.00 C ATOM 733 C TRP A 48 -5.523 8.979 -0.188 1.00 0.00 C ATOM 734 O TRP A 48 -6.290 8.074 -0.524 1.00 0.00 O ATOM 735 CB TRP A 48 -5.885 11.210 -1.260 1.00 0.00 C ATOM 736 CG TRP A 48 -6.660 10.633 -2.409 1.00 0.00 C ATOM 737 CD1 TRP A 48 -6.199 9.764 -3.358 1.00 0.00 C ATOM 738 CD2 TRP A 48 -8.036 10.869 -2.717 1.00 0.00 C ATOM 739 NE1 TRP A 48 -7.204 9.452 -4.239 1.00 0.00 N ATOM 740 CE2 TRP A 48 -8.343 10.118 -3.867 1.00 0.00 C ATOM 741 CE3 TRP A 48 -9.039 11.646 -2.130 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -9.610 10.120 -4.442 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -10.297 11.647 -2.702 1.00 0.00 C ATOM 744 CH2 TRP A 48 -10.571 10.888 -3.847 1.00 0.00 C ATOM 0 H TRP A 48 -4.646 11.702 0.880 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.102 10.342 0.270 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.218 12.232 -1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.830 11.262 -1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.191 9.379 -3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.118 8.826 -5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.835 12.234 -1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.826 9.537 -5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.082 12.243 -2.259 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.565 10.910 -4.269 1.00 0.00 H new ATOM 755 N ILE A 49 -4.222 8.791 0.015 1.00 0.00 N ATOM 756 CA ILE A 49 -3.608 7.484 -0.161 1.00 0.00 C ATOM 757 C ILE A 49 -4.289 6.440 0.707 1.00 0.00 C ATOM 758 O ILE A 49 -4.767 5.442 0.201 1.00 0.00 O ATOM 759 CB ILE A 49 -2.087 7.515 0.130 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.361 8.268 -0.995 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.523 6.098 0.295 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.128 8.416 -0.777 1.00 0.00 C ATOM 0 H ILE A 49 -3.576 9.527 0.301 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.741 7.209 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.923 8.040 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.529 7.744 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.803 9.259 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.454 6.153 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.025 5.601 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.689 5.531 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.566 8.958 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.308 8.967 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.585 7.429 -0.705 1.00 0.00 H new ATOM 774 N LYS A 50 -4.371 6.697 2.007 1.00 0.00 N ATOM 775 CA LYS A 50 -5.004 5.757 2.913 1.00 0.00 C ATOM 776 C LYS A 50 -6.499 5.699 2.705 1.00 0.00 C ATOM 777 O LYS A 50 -7.128 4.696 3.023 1.00 0.00 O ATOM 778 CB LYS A 50 -4.665 6.046 4.374 1.00 0.00 C ATOM 779 CG LYS A 50 -3.472 5.249 4.888 1.00 0.00 C ATOM 780 CD LYS A 50 -3.726 3.749 4.781 1.00 0.00 C ATOM 781 CE LYS A 50 -2.531 2.942 5.238 1.00 0.00 C ATOM 782 NZ LYS A 50 -2.709 1.493 4.971 1.00 0.00 N ATOM 0 H LYS A 50 -4.010 7.541 2.451 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.596 4.775 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.458 7.110 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.535 5.823 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.582 5.512 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.274 5.514 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.595 3.484 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.964 3.493 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.636 3.298 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.374 3.098 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.029 0.949 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.677 1.210 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.546 1.304 3.961 1.00 0.00 H new ATOM 796 N TYR A 51 -7.073 6.779 2.179 1.00 0.00 N ATOM 797 CA TYR A 51 -8.498 6.791 1.866 1.00 0.00 C ATOM 798 C TYR A 51 -8.834 5.648 0.898 1.00 0.00 C ATOM 799 O TYR A 51 -9.746 4.856 1.147 1.00 0.00 O ATOM 800 CB TYR A 51 -8.896 8.146 1.259 1.00 0.00 C ATOM 801 CG TYR A 51 -10.326 8.220 0.759 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.393 8.285 1.646 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.604 8.237 -0.604 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.696 8.362 1.188 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.902 8.312 -1.068 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.945 8.375 -0.169 1.00 0.00 C ATOM 807 OH TYR A 51 -14.243 8.456 -0.629 1.00 0.00 O ATOM 0 H TYR A 51 -6.580 7.646 1.963 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.064 6.645 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.747 8.923 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.224 8.369 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -11.202 8.275 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.790 8.191 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.515 8.412 1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.099 8.321 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.243 8.455 -1.609 1.00 0.00 H new ATOM 817 N PHE A 52 -8.097 5.573 -0.204 1.00 0.00 N ATOM 818 CA PHE A 52 -8.287 4.500 -1.173 1.00 0.00 C ATOM 819 C PHE A 52 -7.648 3.188 -0.686 1.00 0.00 C ATOM 820 O PHE A 52 -8.268 2.120 -0.740 1.00 0.00 O ATOM 821 CB PHE A 52 -7.725 4.899 -2.542 1.00 0.00 C ATOM 822 CG PHE A 52 -8.042 3.911 -3.636 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.303 3.879 -4.214 1.00 0.00 C ATOM 824 CD2 PHE A 52 -7.083 3.016 -4.084 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.599 2.975 -5.215 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.373 2.110 -5.087 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.633 2.090 -5.652 1.00 0.00 C ATOM 0 H PHE A 52 -7.365 6.240 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.359 4.332 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.124 5.875 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.643 5.007 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.062 4.569 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.097 3.027 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.585 2.960 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.616 1.419 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.863 1.383 -6.435 1.00 0.00 H new ATOM 837 N ASP A 53 -6.410 3.300 -0.201 1.00 0.00 N ATOM 838 CA ASP A 53 -5.593 2.147 0.236 1.00 0.00 C ATOM 839 C ASP A 53 -6.315 1.262 1.239 1.00 0.00 C ATOM 840 O ASP A 53 -6.330 0.059 1.085 1.00 0.00 O ATOM 841 CB ASP A 53 -4.267 2.635 0.834 1.00 0.00 C ATOM 842 CG ASP A 53 -3.332 1.517 1.249 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.273 1.208 2.460 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.632 0.980 0.381 1.00 0.00 O ATOM 0 H ASP A 53 -5.935 4.197 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.401 1.542 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.761 3.266 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.479 3.259 1.702 1.00 0.00 H new ATOM 849 N LYS A 54 -6.956 1.879 2.239 1.00 0.00 N ATOM 850 CA LYS A 54 -7.640 1.138 3.322 1.00 0.00 C ATOM 851 C LYS A 54 -8.643 0.089 2.785 1.00 0.00 C ATOM 852 O LYS A 54 -8.993 -0.862 3.485 1.00 0.00 O ATOM 853 CB LYS A 54 -8.350 2.119 4.272 1.00 0.00 C ATOM 854 CG LYS A 54 -9.070 1.460 5.446 1.00 0.00 C ATOM 855 CD LYS A 54 -8.110 0.720 6.369 1.00 0.00 C ATOM 856 CE LYS A 54 -8.860 -0.057 7.449 1.00 0.00 C ATOM 857 NZ LYS A 54 -9.740 0.824 8.270 1.00 0.00 N ATOM 0 H LYS A 54 -7.019 2.893 2.326 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.872 0.592 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.614 2.822 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.073 2.700 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.605 2.221 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.817 0.762 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.498 0.034 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.431 1.433 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.463 -0.835 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.142 -0.557 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.136 0.278 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.184 1.620 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.514 1.189 7.679 1.00 0.00 H new ATOM 871 N ARG A 55 -9.091 0.265 1.553 1.00 0.00 N ATOM 872 CA ARG A 55 -10.033 -0.664 0.944 1.00 0.00 C ATOM 873 C ARG A 55 -9.339 -1.979 0.558 1.00 0.00 C ATOM 874 O ARG A 55 -9.857 -3.063 0.813 1.00 0.00 O ATOM 875 CB ARG A 55 -10.689 -0.024 -0.281 1.00 0.00 C ATOM 876 CG ARG A 55 -11.568 1.174 0.056 1.00 0.00 C ATOM 877 CD ARG A 55 -11.956 1.959 -1.190 1.00 0.00 C ATOM 878 NE ARG A 55 -12.667 1.138 -2.176 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.311 1.628 -3.239 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.374 2.939 -3.441 1.00 0.00 N ATOM 881 NH2 ARG A 55 -13.904 0.808 -4.088 1.00 0.00 N ATOM 0 H ARG A 55 -8.818 1.043 0.953 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.807 -0.895 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.911 0.291 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.291 -0.774 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.469 0.832 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.040 1.829 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.585 2.801 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.058 2.374 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.670 0.127 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.929 3.578 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.867 3.307 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.870 -0.199 -3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.396 1.182 -4.900 1.00 0.00 H new ATOM 895 N ARG A 56 -8.166 -1.873 -0.052 1.00 0.00 N ATOM 896 CA ARG A 56 -7.416 -3.055 -0.492 1.00 0.00 C ATOM 897 C ARG A 56 -6.209 -3.315 0.402 1.00 0.00 C ATOM 898 O ARG A 56 -5.393 -4.192 0.111 1.00 0.00 O ATOM 899 CB ARG A 56 -6.965 -2.892 -1.946 1.00 0.00 C ATOM 900 CG ARG A 56 -8.108 -2.847 -2.949 1.00 0.00 C ATOM 901 CD ARG A 56 -8.949 -4.111 -2.882 1.00 0.00 C ATOM 902 NE ARG A 56 -9.968 -4.153 -3.929 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.181 -4.695 -3.777 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.550 -5.194 -2.600 1.00 0.00 N ATOM 905 NH2 ARG A 56 -12.022 -4.735 -4.800 1.00 0.00 N ATOM 0 H ARG A 56 -7.709 -0.984 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.083 -3.914 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.382 -1.975 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.301 -3.717 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.736 -1.979 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.707 -2.727 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.300 -4.982 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.431 -4.174 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.739 -3.742 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.907 -5.164 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.476 -5.606 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.744 -4.352 -5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.947 -5.148 -4.684 1.00 0.00 H new ATOM 919 N ASP A 57 -6.113 -2.552 1.478 1.00 0.00 N ATOM 920 CA ASP A 57 -4.991 -2.624 2.418 1.00 0.00 C ATOM 921 C ASP A 57 -4.777 -4.038 2.929 1.00 0.00 C ATOM 922 O ASP A 57 -5.622 -4.598 3.631 1.00 0.00 O ATOM 923 CB ASP A 57 -5.229 -1.671 3.593 1.00 0.00 C ATOM 924 CG ASP A 57 -4.029 -1.539 4.507 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.064 -0.670 5.416 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.040 -2.293 4.325 1.00 0.00 O ATOM 0 H ASP A 57 -6.815 -1.857 1.732 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.090 -2.324 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.493 -0.687 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.082 -2.025 4.172 1.00 0.00 H new ATOM 931 N TYR A 58 -3.666 -4.626 2.526 1.00 0.00 N ATOM 932 CA TYR A 58 -3.308 -5.958 2.953 1.00 0.00 C ATOM 933 C TYR A 58 -1.992 -5.943 3.741 1.00 0.00 C ATOM 934 O TYR A 58 -1.949 -6.293 4.916 1.00 0.00 O ATOM 935 CB TYR A 58 -3.198 -6.866 1.735 1.00 0.00 C ATOM 936 CG TYR A 58 -3.263 -8.350 2.040 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.481 -9.015 2.063 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.113 -9.087 2.288 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.549 -10.371 2.322 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.172 -10.438 2.550 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.392 -11.076 2.566 1.00 0.00 C ATOM 942 OH TYR A 58 -3.453 -12.431 2.818 1.00 0.00 O ATOM 0 H TYR A 58 -2.991 -4.192 1.896 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.085 -6.341 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.000 -6.617 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.258 -6.655 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.391 -8.464 1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.153 -8.591 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.504 -10.875 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.266 -10.994 2.742 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.548 -12.777 2.968 1.00 0.00 H new ATOM 952 N LEU A 59 -0.917 -5.546 3.072 1.00 0.00 N ATOM 953 CA LEU A 59 0.405 -5.493 3.695 1.00 0.00 C ATOM 954 C LEU A 59 0.599 -4.265 4.553 1.00 0.00 C ATOM 955 O LEU A 59 1.309 -4.308 5.554 1.00 0.00 O ATOM 956 CB LEU A 59 1.514 -5.537 2.643 1.00 0.00 C ATOM 957 CG LEU A 59 1.741 -6.868 1.949 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.846 -7.981 2.962 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.654 -7.150 0.936 1.00 0.00 C ATOM 0 H LEU A 59 -0.932 -5.255 2.095 1.00 0.00 H new ATOM 0 HA LEU A 59 0.464 -6.372 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.291 -4.790 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.448 -5.238 3.120 1.00 0.00 H new ATOM 0 HG LEU A 59 2.685 -6.812 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.009 -8.928 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.682 -7.785 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.923 -8.036 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.844 -8.110 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.313 -7.181 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.646 -6.363 0.182 1.00 0.00 H new ATOM 971 N LYS A 60 -0.016 -3.177 4.164 1.00 0.00 N ATOM 972 CA LYS A 60 0.185 -1.916 4.852 1.00 0.00 C ATOM 973 C LYS A 60 -0.360 -1.956 6.292 1.00 0.00 C ATOM 974 O LYS A 60 0.313 -1.517 7.226 1.00 0.00 O ATOM 975 CB LYS A 60 -0.435 -0.769 4.045 1.00 0.00 C ATOM 976 CG LYS A 60 0.411 0.501 4.008 1.00 0.00 C ATOM 977 CD LYS A 60 1.787 0.256 3.373 1.00 0.00 C ATOM 978 CE LYS A 60 1.675 -0.211 1.922 1.00 0.00 C ATOM 979 NZ LYS A 60 3.007 -0.453 1.312 1.00 0.00 N ATOM 0 H LYS A 60 -0.661 -3.133 3.375 1.00 0.00 H new ATOM 0 HA LYS A 60 1.258 -1.740 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.604 -1.109 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.411 -0.529 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.116 1.272 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.542 0.880 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.373 1.174 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.326 -0.493 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.085 -1.127 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.140 0.539 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.888 -0.735 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.574 0.418 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.494 -1.211 1.831 1.00 0.00 H new ATOM 993 N PHE A 61 -1.560 -2.493 6.471 1.00 0.00 N ATOM 994 CA PHE A 61 -2.159 -2.600 7.803 1.00 0.00 C ATOM 995 C PHE A 61 -1.577 -3.789 8.566 1.00 0.00 C ATOM 996 O PHE A 61 -1.731 -3.892 9.784 1.00 0.00 O ATOM 997 CB PHE A 61 -3.696 -2.735 7.710 1.00 0.00 C ATOM 998 CG PHE A 61 -4.211 -4.160 7.647 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.722 -4.767 8.787 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.189 -4.888 6.461 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.193 -6.060 8.751 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.663 -6.189 6.425 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.166 -6.772 7.570 1.00 0.00 C ATOM 0 H PHE A 61 -2.139 -2.861 5.716 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.923 -1.685 8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.142 -2.241 8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.040 -2.201 6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.750 -4.216 9.716 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.799 -4.435 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.584 -6.517 9.648 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.639 -6.747 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.538 -7.785 7.541 1.00 0.00 H new