USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 395 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 9 SER OG : rot 180:sc= 0.268 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 12 GLN : amide:sc= -0.191 K(o=-0.19,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00095 X(o=-0.00095,f=-0.092) USER MOD Single : A 23 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.55) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 32 GLN : amide:sc= -1.65 X(o=-1.6,f=-2.1) USER MOD Single : A 33 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 35 SER OG : rot -79:sc= 0.235 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.53) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.283 F(o=-0.81,f=-0.28) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 2.02 (180deg=1.61) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.729 -6.679 3.345 1.00 0.00 N ATOM 176 CA SER A 9 -9.575 -7.682 2.710 1.00 0.00 C ATOM 177 C SER A 9 -9.123 -7.948 1.280 1.00 0.00 C ATOM 178 O SER A 9 -8.515 -7.090 0.643 1.00 0.00 O ATOM 179 CB SER A 9 -11.031 -7.216 2.701 1.00 0.00 C ATOM 180 OG SER A 9 -11.265 -6.311 1.633 1.00 0.00 O ATOM 0 HA SER A 9 -9.490 -8.605 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.692 -8.077 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.269 -6.735 3.650 1.00 0.00 H new ATOM 0 HG SER A 9 -12.203 -6.026 1.645 1.00 0.00 H new ATOM 186 N SER A 10 -9.436 -9.138 0.774 1.00 0.00 N ATOM 187 CA SER A 10 -9.071 -9.504 -0.589 1.00 0.00 C ATOM 188 C SER A 10 -9.570 -8.454 -1.578 1.00 0.00 C ATOM 189 O SER A 10 -8.881 -8.113 -2.539 1.00 0.00 O ATOM 190 CB SER A 10 -9.645 -10.874 -0.949 1.00 0.00 C ATOM 191 OG SER A 10 -9.873 -11.652 0.212 1.00 0.00 O ATOM 0 H SER A 10 -9.940 -9.862 1.286 1.00 0.00 H new ATOM 0 HA SER A 10 -7.984 -9.553 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.580 -10.748 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.956 -11.398 -1.612 1.00 0.00 H new ATOM 0 HG SER A 10 -10.242 -12.523 -0.045 1.00 0.00 H new ATOM 197 N GLU A 11 -10.771 -7.937 -1.327 1.00 0.00 N ATOM 198 CA GLU A 11 -11.359 -6.917 -2.185 1.00 0.00 C ATOM 199 C GLU A 11 -10.469 -5.683 -2.212 1.00 0.00 C ATOM 200 O GLU A 11 -10.135 -5.162 -3.278 1.00 0.00 O ATOM 201 CB GLU A 11 -12.761 -6.545 -1.696 1.00 0.00 C ATOM 202 CG GLU A 11 -13.875 -7.253 -2.450 1.00 0.00 C ATOM 203 CD GLU A 11 -14.777 -6.293 -3.199 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.274 -5.252 -3.672 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.987 -6.580 -3.313 1.00 0.00 O ATOM 0 H GLU A 11 -11.354 -8.209 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.441 -7.318 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.842 -6.784 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.896 -5.468 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.438 -7.960 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.473 -7.833 -1.747 1.00 0.00 H new ATOM 212 N GLN A 12 -10.068 -5.232 -1.028 1.00 0.00 N ATOM 213 CA GLN A 12 -9.195 -4.072 -0.918 1.00 0.00 C ATOM 214 C GLN A 12 -7.827 -4.402 -1.499 1.00 0.00 C ATOM 215 O GLN A 12 -7.150 -3.542 -2.061 1.00 0.00 O ATOM 216 CB GLN A 12 -9.055 -3.642 0.543 1.00 0.00 C ATOM 217 CG GLN A 12 -10.363 -3.193 1.172 1.00 0.00 C ATOM 218 CD GLN A 12 -10.313 -3.203 2.687 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.430 -3.818 3.286 1.00 0.00 O ATOM 220 NE2 GLN A 12 -11.263 -2.521 3.316 1.00 0.00 N ATOM 0 H GLN A 12 -10.333 -5.650 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.635 -3.247 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.650 -4.473 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.333 -2.828 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.602 -2.187 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.168 -3.846 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.975 -2.026 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.280 -2.492 4.335 1.00 0.00 H new ATOM 229 N LEU A 13 -7.439 -5.668 -1.369 1.00 0.00 N ATOM 230 CA LEU A 13 -6.165 -6.140 -1.889 1.00 0.00 C ATOM 231 C LEU A 13 -6.151 -6.046 -3.408 1.00 0.00 C ATOM 232 O LEU A 13 -5.165 -5.621 -4.009 1.00 0.00 O ATOM 233 CB LEU A 13 -5.924 -7.588 -1.450 1.00 0.00 C ATOM 234 CG LEU A 13 -5.109 -7.762 -0.166 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.651 -7.416 -0.411 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.680 -6.911 0.962 1.00 0.00 C ATOM 0 H LEU A 13 -7.994 -6.387 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.368 -5.512 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.890 -8.073 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.414 -8.114 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.171 -8.807 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.086 -7.545 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.245 -8.074 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.573 -6.380 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.083 -7.053 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.657 -5.860 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.710 -7.210 1.158 1.00 0.00 H new ATOM 248 N ALA A 14 -7.264 -6.440 -4.024 1.00 0.00 N ATOM 249 CA ALA A 14 -7.393 -6.394 -5.473 1.00 0.00 C ATOM 250 C ALA A 14 -7.316 -4.957 -5.972 1.00 0.00 C ATOM 251 O ALA A 14 -6.569 -4.651 -6.901 1.00 0.00 O ATOM 252 CB ALA A 14 -8.700 -7.039 -5.909 1.00 0.00 C ATOM 0 H ALA A 14 -8.088 -6.794 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.567 -6.954 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.782 -6.997 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.719 -8.079 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.537 -6.504 -5.461 1.00 0.00 H new ATOM 258 N ARG A 15 -8.089 -4.078 -5.341 1.00 0.00 N ATOM 259 CA ARG A 15 -8.098 -2.670 -5.717 1.00 0.00 C ATOM 260 C ARG A 15 -6.718 -2.056 -5.503 1.00 0.00 C ATOM 261 O ARG A 15 -6.190 -1.365 -6.376 1.00 0.00 O ATOM 262 CB ARG A 15 -9.148 -1.909 -4.903 1.00 0.00 C ATOM 263 CG ARG A 15 -10.204 -1.229 -5.760 1.00 0.00 C ATOM 264 CD ARG A 15 -11.461 -2.077 -5.870 1.00 0.00 C ATOM 265 NE ARG A 15 -12.283 -1.997 -4.666 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.490 -2.547 -4.554 1.00 0.00 C ATOM 267 NH1 ARG A 15 -14.018 -3.218 -5.570 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.171 -2.425 -3.422 1.00 0.00 N ATOM 0 H ARG A 15 -8.714 -4.315 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.354 -2.594 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.638 -2.602 -4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.648 -1.157 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.454 -0.259 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.801 -1.042 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.045 -1.749 -6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.183 -3.115 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.910 -1.490 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.498 -3.314 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.943 -3.637 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.770 -1.910 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.096 -2.846 -3.335 1.00 0.00 H new ATOM 282 N LEU A 16 -6.136 -2.321 -4.338 1.00 0.00 N ATOM 283 CA LEU A 16 -4.813 -1.804 -4.009 1.00 0.00 C ATOM 284 C LEU A 16 -3.778 -2.322 -5.002 1.00 0.00 C ATOM 285 O LEU A 16 -2.934 -1.567 -5.486 1.00 0.00 O ATOM 286 CB LEU A 16 -4.424 -2.207 -2.586 1.00 0.00 C ATOM 287 CG LEU A 16 -5.079 -1.384 -1.476 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.247 -2.223 -0.218 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.257 -0.138 -1.182 1.00 0.00 C ATOM 0 H LEU A 16 -6.560 -2.891 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.842 -0.716 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.681 -3.256 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.342 -2.127 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.067 -1.072 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.715 -1.621 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.877 -3.085 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.270 -2.565 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.737 0.436 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.256 -0.429 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.188 0.473 -2.082 1.00 0.00 H new ATOM 301 N LYS A 17 -3.854 -3.615 -5.305 1.00 0.00 N ATOM 302 CA LYS A 17 -2.930 -4.236 -6.247 1.00 0.00 C ATOM 303 C LYS A 17 -3.058 -3.595 -7.624 1.00 0.00 C ATOM 304 O LYS A 17 -2.062 -3.375 -8.314 1.00 0.00 O ATOM 305 CB LYS A 17 -3.198 -5.740 -6.342 1.00 0.00 C ATOM 306 CG LYS A 17 -2.344 -6.572 -5.400 1.00 0.00 C ATOM 307 CD LYS A 17 -2.316 -8.033 -5.819 1.00 0.00 C ATOM 308 CE LYS A 17 -1.865 -8.931 -4.677 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.361 -10.244 -5.168 1.00 0.00 N ATOM 0 H LYS A 17 -4.546 -4.252 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.914 -4.081 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.250 -5.927 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.019 -6.068 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.328 -6.177 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.734 -6.491 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.309 -8.336 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.644 -8.156 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.080 -8.430 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.698 -9.095 -3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.064 -10.826 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.117 -10.734 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.550 -10.090 -5.800 1.00 0.00 H new ATOM 323 N ARG A 18 -4.291 -3.292 -8.014 1.00 0.00 N ATOM 324 CA ARG A 18 -4.553 -2.670 -9.306 1.00 0.00 C ATOM 325 C ARG A 18 -3.865 -1.313 -9.392 1.00 0.00 C ATOM 326 O ARG A 18 -3.220 -0.995 -10.391 1.00 0.00 O ATOM 327 CB ARG A 18 -6.059 -2.513 -9.526 1.00 0.00 C ATOM 328 CG ARG A 18 -6.658 -3.583 -10.424 1.00 0.00 C ATOM 329 CD ARG A 18 -8.026 -3.174 -10.947 1.00 0.00 C ATOM 330 NE ARG A 18 -9.074 -4.095 -10.515 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.225 -5.326 -10.999 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.397 -5.786 -11.929 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.205 -6.099 -10.552 1.00 0.00 N ATOM 0 H ARG A 18 -5.125 -3.467 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.151 -3.315 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.563 -2.537 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.254 -1.533 -9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.988 -3.771 -11.263 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.744 -4.517 -9.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.261 -2.168 -10.599 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.002 -3.137 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.729 -3.776 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.641 -5.196 -12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.517 -6.730 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.844 -5.751 -9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.320 -7.042 -10.923 1.00 0.00 H new ATOM 347 N GLU A 19 -4.003 -0.521 -8.335 1.00 0.00 N ATOM 348 CA GLU A 19 -3.389 0.800 -8.288 1.00 0.00 C ATOM 349 C GLU A 19 -1.868 0.684 -8.315 1.00 0.00 C ATOM 350 O GLU A 19 -1.181 1.520 -8.902 1.00 0.00 O ATOM 351 CB GLU A 19 -3.835 1.553 -7.033 1.00 0.00 C ATOM 352 CG GLU A 19 -5.251 2.096 -7.121 1.00 0.00 C ATOM 353 CD GLU A 19 -5.356 3.312 -8.022 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.908 3.230 -9.185 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.886 4.346 -7.564 1.00 0.00 O ATOM 0 H GLU A 19 -4.534 -0.770 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.713 1.359 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.763 0.886 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.148 2.380 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.913 1.314 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.598 2.358 -6.122 1.00 0.00 H new ATOM 362 N PHE A 20 -1.350 -0.366 -7.684 1.00 0.00 N ATOM 363 CA PHE A 20 0.089 -0.600 -7.644 1.00 0.00 C ATOM 364 C PHE A 20 0.622 -0.871 -9.045 1.00 0.00 C ATOM 365 O PHE A 20 1.696 -0.399 -9.416 1.00 0.00 O ATOM 366 CB PHE A 20 0.410 -1.780 -6.722 1.00 0.00 C ATOM 367 CG PHE A 20 1.876 -2.097 -6.636 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.687 -1.449 -5.719 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.442 -3.043 -7.474 1.00 0.00 C ATOM 370 CE1 PHE A 20 4.036 -1.739 -5.638 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.791 -3.339 -7.398 1.00 0.00 C ATOM 372 CZ PHE A 20 4.589 -2.685 -6.479 1.00 0.00 C ATOM 0 H PHE A 20 -1.905 -1.067 -7.194 1.00 0.00 H new ATOM 0 HA PHE A 20 0.574 0.294 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.035 -1.561 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.123 -2.662 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.260 -0.708 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.823 -3.556 -8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.657 -1.227 -4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.220 -4.080 -8.056 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.643 -2.913 -6.418 1.00 0.00 H new ATOM 382 N ASN A 21 -0.144 -1.630 -9.821 1.00 0.00 N ATOM 383 CA ASN A 21 0.239 -1.964 -11.187 1.00 0.00 C ATOM 384 C ASN A 21 0.283 -0.713 -12.059 1.00 0.00 C ATOM 385 O ASN A 21 1.005 -0.663 -13.055 1.00 0.00 O ATOM 386 CB ASN A 21 -0.739 -2.979 -11.780 1.00 0.00 C ATOM 387 CG ASN A 21 -0.506 -4.382 -11.256 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.604 -4.909 -11.333 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.554 -4.996 -10.719 1.00 0.00 N ATOM 0 H ASN A 21 -1.036 -2.026 -9.526 1.00 0.00 H new ATOM 0 HA ASN A 21 1.236 -2.404 -11.162 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.760 -2.673 -11.550 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.644 -2.979 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.457 -5.942 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.456 -4.522 -10.676 1.00 0.00 H new ATOM 396 N GLU A 22 -0.496 0.296 -11.678 1.00 0.00 N ATOM 397 CA GLU A 22 -0.548 1.547 -12.427 1.00 0.00 C ATOM 398 C GLU A 22 0.605 2.463 -12.032 1.00 0.00 C ATOM 399 O GLU A 22 1.206 3.121 -12.881 1.00 0.00 O ATOM 400 CB GLU A 22 -1.884 2.253 -12.180 1.00 0.00 C ATOM 401 CG GLU A 22 -2.930 1.967 -13.245 1.00 0.00 C ATOM 402 CD GLU A 22 -4.347 2.091 -12.718 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.641 1.491 -11.663 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.160 2.788 -13.359 1.00 0.00 O ATOM 0 H GLU A 22 -1.099 0.271 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.456 1.315 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.273 1.947 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.713 3.328 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.794 2.657 -14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.779 0.961 -13.637 1.00 0.00 H new ATOM 411 N ASN A 23 0.908 2.503 -10.739 1.00 0.00 N ATOM 412 CA ASN A 23 1.990 3.340 -10.234 1.00 0.00 C ATOM 413 C ASN A 23 2.482 2.839 -8.879 1.00 0.00 C ATOM 414 O ASN A 23 1.716 2.760 -7.920 1.00 0.00 O ATOM 415 CB ASN A 23 1.527 4.793 -10.116 1.00 0.00 C ATOM 416 CG ASN A 23 0.211 4.921 -9.375 1.00 0.00 C ATOM 417 OD1 ASN A 23 0.153 4.764 -8.156 1.00 0.00 O ATOM 418 ND2 ASN A 23 -0.857 5.209 -10.112 1.00 0.00 N ATOM 0 H ASN A 23 0.420 1.966 -10.022 1.00 0.00 H new ATOM 0 HA ASN A 23 2.817 3.285 -10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.290 5.374 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.423 5.220 -11.113 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.771 5.308 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.763 5.331 -11.120 1.00 0.00 H new ATOM 425 N ARG A 24 3.767 2.503 -8.811 1.00 0.00 N ATOM 426 CA ARG A 24 4.372 2.010 -7.576 1.00 0.00 C ATOM 427 C ARG A 24 4.570 3.131 -6.552 1.00 0.00 C ATOM 428 O ARG A 24 5.109 2.900 -5.469 1.00 0.00 O ATOM 429 CB ARG A 24 5.711 1.336 -7.882 1.00 0.00 C ATOM 430 CG ARG A 24 5.626 0.298 -8.990 1.00 0.00 C ATOM 431 CD ARG A 24 6.763 -0.708 -8.908 1.00 0.00 C ATOM 432 NE ARG A 24 7.084 -1.275 -10.218 1.00 0.00 N ATOM 433 CZ ARG A 24 7.172 -2.582 -10.471 1.00 0.00 C ATOM 434 NH1 ARG A 24 6.976 -3.473 -9.507 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.460 -2.997 -11.696 1.00 0.00 N ATOM 0 H ARG A 24 4.412 2.563 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 24 3.688 1.282 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.437 2.099 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.085 0.859 -6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.672 -0.225 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.651 0.797 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.648 -0.223 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.490 -1.510 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 24 7.252 -0.628 -10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.756 -3.161 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.046 -4.470 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.614 -2.318 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.528 -3.995 -11.893 1.00 0.00 H new ATOM 449 N TYR A 25 4.137 4.343 -6.894 1.00 0.00 N ATOM 450 CA TYR A 25 4.272 5.486 -5.999 1.00 0.00 C ATOM 451 C TYR A 25 2.917 6.141 -5.758 1.00 0.00 C ATOM 452 O TYR A 25 2.172 6.409 -6.701 1.00 0.00 O ATOM 453 CB TYR A 25 5.246 6.509 -6.588 1.00 0.00 C ATOM 454 CG TYR A 25 6.687 6.053 -6.582 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.464 6.160 -5.436 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.270 5.515 -7.723 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.783 5.745 -5.426 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.588 5.098 -7.722 1.00 0.00 C ATOM 459 CZ TYR A 25 9.340 5.214 -6.571 1.00 0.00 C ATOM 460 OH TYR A 25 10.654 4.802 -6.562 1.00 0.00 O ATOM 0 H TYR A 25 3.690 4.557 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 25 4.663 5.130 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.949 6.731 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.167 7.439 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.031 6.574 -4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.684 5.421 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.374 5.836 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.027 4.684 -8.618 1.00 0.00 H new ATOM 0 HH TYR A 25 10.893 4.451 -7.445 1.00 0.00 H new ATOM 470 N LEU A 26 2.599 6.396 -4.493 1.00 0.00 N ATOM 471 CA LEU A 26 1.329 7.016 -4.140 1.00 0.00 C ATOM 472 C LEU A 26 1.479 8.524 -3.977 1.00 0.00 C ATOM 473 O LEU A 26 2.568 9.077 -4.129 1.00 0.00 O ATOM 474 CB LEU A 26 0.778 6.419 -2.841 1.00 0.00 C ATOM 475 CG LEU A 26 -0.168 5.224 -2.998 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.796 4.879 -1.656 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.259 5.509 -4.020 1.00 0.00 C ATOM 0 H LEU A 26 3.202 6.183 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 26 0.632 6.817 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.620 6.111 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.252 7.204 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 26 0.418 4.377 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.467 4.029 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.012 4.625 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.359 5.736 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.912 4.641 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.843 6.372 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.805 5.719 -4.988 1.00 0.00 H new ATOM 489 N THR A 27 0.368 9.175 -3.653 1.00 0.00 N ATOM 490 CA THR A 27 0.338 10.618 -3.447 1.00 0.00 C ATOM 491 C THR A 27 -0.672 10.954 -2.360 1.00 0.00 C ATOM 492 O THR A 27 -1.458 10.100 -1.953 1.00 0.00 O ATOM 493 CB THR A 27 -0.048 11.357 -4.735 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.452 11.323 -4.923 1.00 0.00 O ATOM 495 CG2 THR A 27 0.595 10.801 -5.991 1.00 0.00 C ATOM 0 H THR A 27 -0.535 8.719 -3.526 1.00 0.00 H new ATOM 0 HA THR A 27 1.337 10.939 -3.150 1.00 0.00 H new ATOM 0 HB THR A 27 0.319 12.373 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.683 11.800 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.269 11.381 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.680 10.862 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.300 9.760 -6.121 1.00 0.00 H new ATOM 503 N GLU A 28 -0.663 12.197 -1.897 1.00 0.00 N ATOM 504 CA GLU A 28 -1.600 12.621 -0.866 1.00 0.00 C ATOM 505 C GLU A 28 -3.035 12.363 -1.318 1.00 0.00 C ATOM 506 O GLU A 28 -3.831 11.767 -0.591 1.00 0.00 O ATOM 507 CB GLU A 28 -1.407 14.107 -0.548 1.00 0.00 C ATOM 508 CG GLU A 28 -0.835 14.362 0.836 1.00 0.00 C ATOM 509 CD GLU A 28 0.601 13.895 0.968 1.00 0.00 C ATOM 510 OE1 GLU A 28 1.346 13.975 -0.031 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.981 13.448 2.071 1.00 0.00 O ATOM 0 H GLU A 28 -0.023 12.924 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.406 12.043 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.744 14.547 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.367 14.617 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.888 15.428 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.449 13.852 1.578 1.00 0.00 H new ATOM 518 N ARG A 29 -3.352 12.815 -2.526 1.00 0.00 N ATOM 519 CA ARG A 29 -4.685 12.637 -3.090 1.00 0.00 C ATOM 520 C ARG A 29 -5.058 11.159 -3.182 1.00 0.00 C ATOM 521 O ARG A 29 -6.169 10.769 -2.824 1.00 0.00 O ATOM 522 CB ARG A 29 -4.762 13.279 -4.477 1.00 0.00 C ATOM 523 CG ARG A 29 -4.374 14.748 -4.490 1.00 0.00 C ATOM 524 CD ARG A 29 -5.522 15.634 -4.034 1.00 0.00 C ATOM 525 NE ARG A 29 -5.553 16.906 -4.754 1.00 0.00 N ATOM 526 CZ ARG A 29 -4.783 17.948 -4.450 1.00 0.00 C ATOM 527 NH1 ARG A 29 -3.919 17.875 -3.445 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.875 19.067 -5.155 1.00 0.00 N ATOM 0 H ARG A 29 -2.701 13.310 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.396 13.126 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.108 12.733 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.777 13.177 -4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.513 14.903 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.069 15.036 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.466 15.110 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.430 15.825 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.203 17.000 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.842 17.016 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.332 18.678 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.536 19.129 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.285 19.866 -4.923 1.00 0.00 H new ATOM 542 N ARG A 30 -4.128 10.340 -3.673 1.00 0.00 N ATOM 543 CA ARG A 30 -4.381 8.910 -3.818 1.00 0.00 C ATOM 544 C ARG A 30 -4.537 8.232 -2.462 1.00 0.00 C ATOM 545 O ARG A 30 -5.408 7.383 -2.280 1.00 0.00 O ATOM 546 CB ARG A 30 -3.253 8.240 -4.605 1.00 0.00 C ATOM 547 CG ARG A 30 -3.130 8.736 -6.036 1.00 0.00 C ATOM 548 CD ARG A 30 -4.050 7.975 -6.975 1.00 0.00 C ATOM 549 NE ARG A 30 -5.308 8.686 -7.199 1.00 0.00 N ATOM 550 CZ ARG A 30 -5.835 8.914 -8.402 1.00 0.00 C ATOM 551 NH1 ARG A 30 -5.227 8.484 -9.502 1.00 0.00 N ATOM 552 NH2 ARG A 30 -6.979 9.575 -8.504 1.00 0.00 N ATOM 0 H ARG A 30 -3.201 10.640 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.316 8.798 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.309 8.412 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.419 7.163 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.369 9.799 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.098 8.629 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.546 7.818 -7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.259 6.989 -6.559 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.814 9.029 -6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.347 7.973 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.640 8.665 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.453 9.907 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.386 9.752 -9.423 1.00 0.00 H new ATOM 566 N ARG A 31 -3.690 8.607 -1.510 1.00 0.00 N ATOM 567 CA ARG A 31 -3.744 8.023 -0.176 1.00 0.00 C ATOM 568 C ARG A 31 -5.091 8.304 0.481 1.00 0.00 C ATOM 569 O ARG A 31 -5.767 7.391 0.951 1.00 0.00 O ATOM 570 CB ARG A 31 -2.610 8.569 0.694 1.00 0.00 C ATOM 571 CG ARG A 31 -1.793 7.483 1.373 1.00 0.00 C ATOM 572 CD ARG A 31 -0.402 7.975 1.739 1.00 0.00 C ATOM 573 NE ARG A 31 -0.346 8.490 3.107 1.00 0.00 N ATOM 574 CZ ARG A 31 -0.260 9.783 3.419 1.00 0.00 C ATOM 575 NH1 ARG A 31 -0.233 10.710 2.467 1.00 0.00 N ATOM 576 NH2 ARG A 31 -0.206 10.151 4.691 1.00 0.00 N ATOM 0 H ARG A 31 -2.961 9.309 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.624 6.944 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.949 9.178 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.030 9.226 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.309 7.147 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.712 6.621 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.312 7.159 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.100 8.758 1.044 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.375 7.816 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.278 10.435 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.167 11.697 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.230 9.446 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.140 11.140 4.934 1.00 0.00 H new ATOM 590 N GLN A 32 -5.474 9.576 0.506 1.00 0.00 N ATOM 591 CA GLN A 32 -6.740 9.984 1.104 1.00 0.00 C ATOM 592 C GLN A 32 -7.921 9.359 0.367 1.00 0.00 C ATOM 593 O GLN A 32 -8.948 9.050 0.971 1.00 0.00 O ATOM 594 CB GLN A 32 -6.868 11.507 1.089 1.00 0.00 C ATOM 595 CG GLN A 32 -7.831 12.045 2.134 1.00 0.00 C ATOM 596 CD GLN A 32 -9.276 11.704 1.825 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.967 11.088 2.635 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.739 12.104 0.646 1.00 0.00 N ATOM 0 H GLN A 32 -4.925 10.343 0.118 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.752 9.633 2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.885 11.948 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.201 11.826 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.566 11.639 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.723 13.128 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.130 12.613 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.703 11.903 0.382 1.00 0.00 H new ATOM 607 N GLN A 33 -7.768 9.177 -0.941 1.00 0.00 N ATOM 608 CA GLN A 33 -8.825 8.592 -1.757 1.00 0.00 C ATOM 609 C GLN A 33 -9.050 7.132 -1.380 1.00 0.00 C ATOM 610 O GLN A 33 -10.176 6.717 -1.107 1.00 0.00 O ATOM 611 CB GLN A 33 -8.472 8.703 -3.242 1.00 0.00 C ATOM 612 CG GLN A 33 -9.233 9.797 -3.970 1.00 0.00 C ATOM 613 CD GLN A 33 -10.516 9.294 -4.603 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.624 9.205 -5.826 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.495 8.962 -3.771 1.00 0.00 N ATOM 0 H GLN A 33 -6.924 9.426 -1.457 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.746 9.144 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.403 8.890 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.674 7.748 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.468 10.599 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.595 10.226 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.361 9.052 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.382 8.617 -4.139 1.00 0.00 H new ATOM 624 N LEU A 34 -7.971 6.358 -1.365 1.00 0.00 N ATOM 625 CA LEU A 34 -8.053 4.945 -1.017 1.00 0.00 C ATOM 626 C LEU A 34 -8.461 4.770 0.442 1.00 0.00 C ATOM 627 O LEU A 34 -9.183 3.834 0.788 1.00 0.00 O ATOM 628 CB LEU A 34 -6.712 4.253 -1.273 1.00 0.00 C ATOM 629 CG LEU A 34 -6.127 4.464 -2.671 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.630 4.197 -2.668 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.829 3.572 -3.683 1.00 0.00 C ATOM 0 H LEU A 34 -7.031 6.684 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.814 4.484 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.991 4.609 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.836 3.183 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.289 5.503 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.231 4.352 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.140 4.879 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.444 3.168 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.400 3.736 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.699 2.528 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.892 3.813 -3.705 1.00 0.00 H new ATOM 643 N SER A 35 -7.998 5.680 1.295 1.00 0.00 N ATOM 644 CA SER A 35 -8.317 5.630 2.717 1.00 0.00 C ATOM 645 C SER A 35 -9.820 5.738 2.935 1.00 0.00 C ATOM 646 O SER A 35 -10.410 4.953 3.674 1.00 0.00 O ATOM 647 CB SER A 35 -7.599 6.759 3.464 1.00 0.00 C ATOM 648 OG SER A 35 -6.708 6.244 4.437 1.00 0.00 O ATOM 0 H SER A 35 -7.400 6.461 1.025 1.00 0.00 H new ATOM 0 HA SER A 35 -7.976 4.672 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.049 7.376 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.333 7.405 3.945 1.00 0.00 H new ATOM 0 HG SER A 35 -7.213 5.969 5.230 1.00 0.00 H new ATOM 654 N SER A 36 -10.428 6.725 2.289 1.00 0.00 N ATOM 655 CA SER A 36 -11.864 6.952 2.407 1.00 0.00 C ATOM 656 C SER A 36 -12.663 5.843 1.726 1.00 0.00 C ATOM 657 O SER A 36 -13.717 5.433 2.215 1.00 0.00 O ATOM 658 CB SER A 36 -12.233 8.307 1.799 1.00 0.00 C ATOM 659 OG SER A 36 -13.534 8.705 2.193 1.00 0.00 O ATOM 0 H SER A 36 -9.948 7.383 1.676 1.00 0.00 H new ATOM 0 HA SER A 36 -12.117 6.948 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.509 9.059 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.181 8.248 0.712 1.00 0.00 H new ATOM 0 HG SER A 36 -13.745 9.574 1.793 1.00 0.00 H new ATOM 665 N GLU A 37 -12.165 5.375 0.586 1.00 0.00 N ATOM 666 CA GLU A 37 -12.840 4.328 -0.177 1.00 0.00 C ATOM 667 C GLU A 37 -12.932 3.021 0.608 1.00 0.00 C ATOM 668 O GLU A 37 -14.024 2.501 0.837 1.00 0.00 O ATOM 669 CB GLU A 37 -12.111 4.090 -1.502 1.00 0.00 C ATOM 670 CG GLU A 37 -13.006 4.238 -2.723 1.00 0.00 C ATOM 671 CD GLU A 37 -13.100 2.963 -3.538 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.052 2.493 -4.029 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.221 2.433 -3.683 1.00 0.00 O ATOM 0 H GLU A 37 -11.295 5.704 0.169 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.856 4.669 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.282 4.793 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.681 3.088 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.005 4.534 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.623 5.040 -3.354 1.00 0.00 H new ATOM 680 N LEU A 38 -11.781 2.486 1.003 1.00 0.00 N ATOM 681 CA LEU A 38 -11.738 1.229 1.744 1.00 0.00 C ATOM 682 C LEU A 38 -11.923 1.447 3.244 1.00 0.00 C ATOM 683 O LEU A 38 -12.160 0.497 3.990 1.00 0.00 O ATOM 684 CB LEU A 38 -10.409 0.515 1.489 1.00 0.00 C ATOM 685 CG LEU A 38 -9.908 0.570 0.043 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.626 -0.237 -0.110 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.981 0.066 -0.915 1.00 0.00 C ATOM 0 H LEU A 38 -10.867 2.902 0.823 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.563 0.611 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.649 0.952 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.514 -0.530 1.781 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.689 1.608 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.285 -0.186 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.858 0.173 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.816 -1.276 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.607 0.113 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.234 -0.965 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.871 0.689 -0.826 1.00 0.00 H new ATOM 699 N GLY A 39 -11.810 2.694 3.683 1.00 0.00 N ATOM 700 CA GLY A 39 -11.963 2.998 5.092 1.00 0.00 C ATOM 701 C GLY A 39 -10.762 2.565 5.909 1.00 0.00 C ATOM 702 O GLY A 39 -10.909 2.030 7.008 1.00 0.00 O ATOM 0 H GLY A 39 -11.615 3.500 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.116 4.070 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.856 2.503 5.473 1.00 0.00 H new ATOM 706 N LEU A 40 -9.569 2.793 5.367 1.00 0.00 N ATOM 707 CA LEU A 40 -8.334 2.421 6.050 1.00 0.00 C ATOM 708 C LEU A 40 -7.533 3.660 6.437 1.00 0.00 C ATOM 709 O LEU A 40 -7.859 4.774 6.029 1.00 0.00 O ATOM 710 CB LEU A 40 -7.487 1.511 5.159 1.00 0.00 C ATOM 711 CG LEU A 40 -8.114 0.154 4.834 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.583 -0.377 3.512 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.845 -0.837 5.957 1.00 0.00 C ATOM 0 H LEU A 40 -9.431 3.233 4.457 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.600 1.882 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.282 2.032 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.527 1.343 5.647 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.192 0.285 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.040 -1.343 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.826 0.325 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.501 -0.494 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.298 -1.798 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.769 -0.964 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.275 -0.461 6.885 1.00 0.00 H new ATOM 725 N ASN A 41 -6.485 3.458 7.229 1.00 0.00 N ATOM 726 CA ASN A 41 -5.637 4.560 7.672 1.00 0.00 C ATOM 727 C ASN A 41 -4.596 4.909 6.611 1.00 0.00 C ATOM 728 O ASN A 41 -3.932 4.030 6.059 1.00 0.00 O ATOM 729 CB ASN A 41 -4.947 4.202 8.988 1.00 0.00 C ATOM 730 CG ASN A 41 -5.837 4.445 10.191 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.754 3.672 10.466 1.00 0.00 O ATOM 732 ND2 ASN A 41 -5.571 5.525 10.916 1.00 0.00 N ATOM 0 H ASN A 41 -6.202 2.542 7.577 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.271 5.433 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.649 3.154 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.035 4.791 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.137 5.740 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.801 6.139 10.652 1.00 0.00 H new ATOM 739 N GLU A 42 -4.460 6.204 6.331 1.00 0.00 N ATOM 740 CA GLU A 42 -3.504 6.680 5.336 1.00 0.00 C ATOM 741 C GLU A 42 -2.115 6.096 5.579 1.00 0.00 C ATOM 742 O GLU A 42 -1.408 5.739 4.638 1.00 0.00 O ATOM 743 CB GLU A 42 -3.434 8.208 5.359 1.00 0.00 C ATOM 744 CG GLU A 42 -4.752 8.883 5.015 1.00 0.00 C ATOM 745 CD GLU A 42 -5.331 9.662 6.180 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.763 10.716 6.531 1.00 0.00 O ATOM 747 OE2 GLU A 42 -6.355 9.216 6.742 1.00 0.00 O ATOM 0 H GLU A 42 -5.001 6.942 6.781 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.848 6.348 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.116 8.534 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.671 8.539 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.601 9.557 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.470 8.128 4.695 1.00 0.00 H new ATOM 754 N ALA A 43 -1.733 5.999 6.848 1.00 0.00 N ATOM 755 CA ALA A 43 -0.431 5.455 7.210 1.00 0.00 C ATOM 756 C ALA A 43 -0.299 4.005 6.761 1.00 0.00 C ATOM 757 O ALA A 43 0.766 3.575 6.316 1.00 0.00 O ATOM 758 CB ALA A 43 -0.212 5.567 8.713 1.00 0.00 C ATOM 0 H ALA A 43 -2.305 6.289 7.641 1.00 0.00 H new ATOM 0 HA ALA A 43 0.335 6.038 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.765 5.157 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.255 6.615 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.989 5.009 9.236 1.00 0.00 H new ATOM 764 N GLN A 44 -1.389 3.254 6.879 1.00 0.00 N ATOM 765 CA GLN A 44 -1.390 1.852 6.485 1.00 0.00 C ATOM 766 C GLN A 44 -1.289 1.718 4.971 1.00 0.00 C ATOM 767 O GLN A 44 -0.633 0.810 4.462 1.00 0.00 O ATOM 768 CB GLN A 44 -2.652 1.157 6.999 1.00 0.00 C ATOM 769 CG GLN A 44 -2.703 1.041 8.513 1.00 0.00 C ATOM 770 CD GLN A 44 -3.286 -0.278 8.981 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.958 -1.339 8.447 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.155 -0.219 9.983 1.00 0.00 N ATOM 0 H GLN A 44 -2.280 3.592 7.243 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.520 1.369 6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.527 1.708 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.712 0.160 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.696 1.151 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.299 1.860 8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.398 0.682 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.580 -1.075 10.340 1.00 0.00 H new ATOM 781 N ILE A 45 -1.931 2.636 4.253 1.00 0.00 N ATOM 782 CA ILE A 45 -1.892 2.618 2.797 1.00 0.00 C ATOM 783 C ILE A 45 -0.489 2.941 2.298 1.00 0.00 C ATOM 784 O ILE A 45 0.040 2.264 1.415 1.00 0.00 O ATOM 785 CB ILE A 45 -2.885 3.624 2.184 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.279 3.428 2.779 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.924 3.477 0.669 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.251 4.523 2.403 1.00 0.00 C ATOM 0 H ILE A 45 -2.480 3.396 4.654 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.178 1.614 2.483 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.548 4.633 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.677 2.469 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.199 3.380 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.630 4.195 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.931 3.665 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.238 2.466 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.220 4.321 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.875 5.482 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.360 4.557 1.319 1.00 0.00 H new ATOM 800 N LYS A 46 0.112 3.979 2.874 1.00 0.00 N ATOM 801 CA LYS A 46 1.457 4.390 2.494 1.00 0.00 C ATOM 802 C LYS A 46 2.446 3.249 2.709 1.00 0.00 C ATOM 803 O LYS A 46 3.273 2.961 1.844 1.00 0.00 O ATOM 804 CB LYS A 46 1.890 5.615 3.300 1.00 0.00 C ATOM 805 CG LYS A 46 3.119 6.309 2.737 1.00 0.00 C ATOM 806 CD LYS A 46 2.968 7.822 2.764 1.00 0.00 C ATOM 807 CE LYS A 46 3.554 8.421 4.034 1.00 0.00 C ATOM 808 NZ LYS A 46 4.566 9.472 3.735 1.00 0.00 N ATOM 0 H LYS A 46 -0.313 4.550 3.605 1.00 0.00 H new ATOM 0 HA LYS A 46 1.447 4.651 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.065 6.327 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.093 5.311 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.997 6.020 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.288 5.978 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.465 8.253 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.913 8.084 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.753 8.849 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.014 7.632 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.942 9.856 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.343 9.058 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.121 10.237 3.189 1.00 0.00 H new ATOM 822 N ILE A 47 2.350 2.599 3.865 1.00 0.00 N ATOM 823 CA ILE A 47 3.233 1.484 4.185 1.00 0.00 C ATOM 824 C ILE A 47 2.970 0.305 3.254 1.00 0.00 C ATOM 825 O ILE A 47 3.896 -0.400 2.852 1.00 0.00 O ATOM 826 CB ILE A 47 3.060 1.027 5.647 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.323 2.193 6.602 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.991 -0.137 5.958 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.707 2.004 7.970 1.00 0.00 C ATOM 0 H ILE A 47 1.672 2.825 4.593 1.00 0.00 H new ATOM 0 HA ILE A 47 4.256 1.834 4.049 1.00 0.00 H new ATOM 0 HB ILE A 47 2.033 0.690 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.399 2.326 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.932 3.109 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.854 -0.445 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.761 -0.973 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.025 0.173 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.934 2.869 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.626 1.901 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.116 1.106 8.432 1.00 0.00 H new ATOM 841 N TRP A 48 1.702 0.096 2.916 1.00 0.00 N ATOM 842 CA TRP A 48 1.319 -0.997 2.031 1.00 0.00 C ATOM 843 C TRP A 48 1.987 -0.848 0.670 1.00 0.00 C ATOM 844 O TRP A 48 2.574 -1.796 0.150 1.00 0.00 O ATOM 845 CB TRP A 48 -0.201 -1.045 1.862 1.00 0.00 C ATOM 846 CG TRP A 48 -0.664 -2.166 0.983 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.111 -3.392 1.385 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.721 -2.167 -0.449 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.446 -4.153 0.292 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.215 -3.425 -0.846 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.405 -1.226 -1.434 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.398 -3.765 -2.184 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.587 -1.566 -2.762 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.080 -2.825 -3.126 1.00 0.00 C ATOM 0 H TRP A 48 0.923 0.669 3.241 1.00 0.00 H new ATOM 0 HA TRP A 48 1.653 -1.930 2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.666 -1.146 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.543 -0.099 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.190 -3.716 2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.808 -5.106 0.322 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.026 -0.252 -1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.777 -4.736 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.345 -0.848 -3.532 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.212 -3.059 -4.172 1.00 0.00 H new ATOM 865 N PHE A 49 1.899 0.349 0.100 1.00 0.00 N ATOM 866 CA PHE A 49 2.500 0.621 -1.201 1.00 0.00 C ATOM 867 C PHE A 49 4.017 0.485 -1.126 1.00 0.00 C ATOM 868 O PHE A 49 4.640 -0.128 -1.992 1.00 0.00 O ATOM 869 CB PHE A 49 2.122 2.027 -1.678 1.00 0.00 C ATOM 870 CG PHE A 49 1.037 2.039 -2.718 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.293 1.910 -2.352 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.347 2.180 -4.061 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.294 1.922 -3.306 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.352 2.193 -5.018 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.970 2.064 -4.640 1.00 0.00 C ATOM 0 H PHE A 49 1.418 1.146 0.518 1.00 0.00 H new ATOM 0 HA PHE A 49 2.118 -0.108 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.798 2.617 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.008 2.514 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.551 1.799 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.379 2.281 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.327 1.820 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.607 2.304 -6.062 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.749 2.074 -5.387 1.00 0.00 H new ATOM 885 N GLN A 50 4.602 1.059 -0.081 1.00 0.00 N ATOM 886 CA GLN A 50 6.045 1.000 0.115 1.00 0.00 C ATOM 887 C GLN A 50 6.504 -0.440 0.318 1.00 0.00 C ATOM 888 O GLN A 50 7.534 -0.855 -0.216 1.00 0.00 O ATOM 889 CB GLN A 50 6.451 1.851 1.320 1.00 0.00 C ATOM 890 CG GLN A 50 7.906 2.290 1.294 1.00 0.00 C ATOM 891 CD GLN A 50 8.386 2.796 2.641 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.363 2.291 3.193 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.698 3.797 3.175 1.00 0.00 N ATOM 0 H GLN A 50 4.099 1.571 0.644 1.00 0.00 H new ATOM 0 HA GLN A 50 6.527 1.395 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.814 2.735 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.268 1.284 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.529 1.452 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.032 3.076 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.894 4.184 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.973 4.179 4.080 1.00 0.00 H new ATOM 902 N ASN A 51 5.734 -1.199 1.091 1.00 0.00 N ATOM 903 CA ASN A 51 6.060 -2.593 1.364 1.00 0.00 C ATOM 904 C ASN A 51 5.845 -3.458 0.125 1.00 0.00 C ATOM 905 O ASN A 51 6.545 -4.449 -0.080 1.00 0.00 O ATOM 906 CB ASN A 51 5.211 -3.121 2.523 1.00 0.00 C ATOM 907 CG ASN A 51 5.892 -2.947 3.866 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.923 -1.714 4.359 1.00 0.00 O flip ATOM 909 ND2 ASN A 51 6.386 -3.909 4.455 1.00 0.00 N flip ATOM 0 H ASN A 51 4.879 -0.871 1.540 1.00 0.00 H new ATOM 0 HA ASN A 51 7.113 -2.644 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.253 -2.601 2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.998 -4.178 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.340 -4.840 4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.841 -3.775 5.358 1.00 0.00 H new ATOM 916 N LYS A 52 4.874 -3.076 -0.698 1.00 0.00 N ATOM 917 CA LYS A 52 4.571 -3.820 -1.917 1.00 0.00 C ATOM 918 C LYS A 52 5.716 -3.708 -2.919 1.00 0.00 C ATOM 919 O LYS A 52 5.975 -4.634 -3.687 1.00 0.00 O ATOM 920 CB LYS A 52 3.273 -3.306 -2.548 1.00 0.00 C ATOM 921 CG LYS A 52 2.363 -4.411 -3.058 1.00 0.00 C ATOM 922 CD LYS A 52 2.049 -5.425 -1.969 1.00 0.00 C ATOM 923 CE LYS A 52 0.736 -6.143 -2.235 1.00 0.00 C ATOM 924 NZ LYS A 52 -0.059 -6.329 -0.989 1.00 0.00 N ATOM 0 H LYS A 52 4.284 -2.258 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 52 4.444 -4.869 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.732 -2.712 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.520 -2.640 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.435 -3.976 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.838 -4.915 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.857 -6.154 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.999 -4.920 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.151 -5.574 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.939 -7.115 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.819 -7.018 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.561 -6.680 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.474 -5.419 -0.703 1.00 0.00 H new ATOM 938 N ARG A 53 6.396 -2.566 -2.907 1.00 0.00 N ATOM 939 CA ARG A 53 7.512 -2.332 -3.815 1.00 0.00 C ATOM 940 C ARG A 53 8.707 -3.206 -3.447 1.00 0.00 C ATOM 941 O ARG A 53 9.300 -3.858 -4.307 1.00 0.00 O ATOM 942 CB ARG A 53 7.917 -0.858 -3.785 1.00 0.00 C ATOM 943 CG ARG A 53 8.597 -0.389 -5.061 1.00 0.00 C ATOM 944 CD ARG A 53 9.988 -0.984 -5.201 1.00 0.00 C ATOM 945 NE ARG A 53 10.898 -0.087 -5.908 1.00 0.00 N ATOM 946 CZ ARG A 53 10.839 0.148 -7.217 1.00 0.00 C ATOM 947 NH1 ARG A 53 9.916 -0.447 -7.963 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.705 0.978 -7.782 1.00 0.00 N ATOM 0 H ARG A 53 6.193 -1.789 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 53 7.190 -2.595 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.030 -0.249 -3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.588 -0.691 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.991 -0.671 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.664 0.699 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.390 -1.202 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.925 -1.932 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 53 11.621 0.387 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.248 -1.087 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.875 -0.264 -8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.417 1.437 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.659 1.158 -8.785 1.00 0.00 H new