USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 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 -171:sc= -0.39 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 12 GLN : amide:sc= -3.86! C(o=-3.9!,f=-5.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00862 K(o=-0.0086,f=-0.52) USER MOD Single : A 23 ASN :FLIP amide:sc= 1.21 F(o=-0.21,f=1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 32 GLN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.317 F(o=-0.9,f=-0.32) USER MOD Single : A 35 SER OG : rot -37:sc= 0.658 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00204 X(o=-0.002,f=-0.089) USER MOD Single : A 44 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.1) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0191) USER MOD Single : A 50 GLN : amide:sc=-0.00113 X(o=-0.0011,f=-0.047) USER MOD Single : A 51 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0.593 (180deg=0.519) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.088 -6.894 3.742 1.00 0.00 N ATOM 176 CA SER A 9 -9.122 -7.726 3.139 1.00 0.00 C ATOM 177 C SER A 9 -8.840 -7.958 1.658 1.00 0.00 C ATOM 178 O SER A 9 -8.178 -7.149 1.007 1.00 0.00 O ATOM 179 CB SER A 9 -10.496 -7.073 3.309 1.00 0.00 C ATOM 180 OG SER A 9 -10.738 -6.117 2.292 1.00 0.00 O ATOM 0 HA SER A 9 -9.118 -8.690 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.271 -7.839 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.555 -6.592 4.285 1.00 0.00 H new ATOM 0 HG SER A 9 -11.553 -5.616 2.502 1.00 0.00 H new ATOM 186 N SER A 10 -9.349 -9.068 1.131 1.00 0.00 N ATOM 187 CA SER A 10 -9.156 -9.407 -0.276 1.00 0.00 C ATOM 188 C SER A 10 -9.590 -8.255 -1.178 1.00 0.00 C ATOM 189 O SER A 10 -8.937 -7.954 -2.177 1.00 0.00 O ATOM 190 CB SER A 10 -9.943 -10.670 -0.630 1.00 0.00 C ATOM 191 OG SER A 10 -9.959 -11.582 0.456 1.00 0.00 O ATOM 0 H SER A 10 -9.898 -9.748 1.657 1.00 0.00 H new ATOM 0 HA SER A 10 -8.094 -9.591 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.965 -10.402 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.498 -11.147 -1.503 1.00 0.00 H new ATOM 0 HG SER A 10 -10.469 -12.380 0.205 1.00 0.00 H new ATOM 197 N GLU A 11 -10.695 -7.612 -0.814 1.00 0.00 N ATOM 198 CA GLU A 11 -11.217 -6.491 -1.587 1.00 0.00 C ATOM 199 C GLU A 11 -10.259 -5.305 -1.530 1.00 0.00 C ATOM 200 O GLU A 11 -10.036 -4.623 -2.531 1.00 0.00 O ATOM 201 CB GLU A 11 -12.595 -6.081 -1.060 1.00 0.00 C ATOM 202 CG GLU A 11 -13.712 -6.259 -2.075 1.00 0.00 C ATOM 203 CD GLU A 11 -15.084 -6.011 -1.481 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.411 -6.643 -0.455 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.833 -5.182 -2.042 1.00 0.00 O ATOM 0 H GLU A 11 -11.246 -7.848 0.011 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.315 -6.806 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.825 -6.670 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.560 -5.037 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.552 -5.576 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.673 -7.270 -2.479 1.00 0.00 H new ATOM 212 N GLN A 12 -9.694 -5.066 -0.350 1.00 0.00 N ATOM 213 CA GLN A 12 -8.759 -3.963 -0.163 1.00 0.00 C ATOM 214 C GLN A 12 -7.477 -4.204 -0.950 1.00 0.00 C ATOM 215 O GLN A 12 -7.004 -3.322 -1.669 1.00 0.00 O ATOM 216 CB GLN A 12 -8.434 -3.787 1.321 1.00 0.00 C ATOM 217 CG GLN A 12 -9.615 -3.311 2.151 1.00 0.00 C ATOM 218 CD GLN A 12 -9.369 -3.444 3.642 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.547 -4.249 4.078 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.085 -2.652 4.433 1.00 0.00 N ATOM 0 H GLN A 12 -9.867 -5.620 0.489 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.229 -3.052 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.079 -4.736 1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.617 -3.072 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.826 -2.269 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.501 -3.885 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.756 -1.999 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.964 -2.697 5.445 1.00 0.00 H new ATOM 229 N LEU A 13 -6.919 -5.402 -0.818 1.00 0.00 N ATOM 230 CA LEU A 13 -5.695 -5.753 -1.527 1.00 0.00 C ATOM 231 C LEU A 13 -5.926 -5.737 -3.032 1.00 0.00 C ATOM 232 O LEU A 13 -5.035 -5.382 -3.802 1.00 0.00 O ATOM 233 CB LEU A 13 -5.195 -7.135 -1.092 1.00 0.00 C ATOM 234 CG LEU A 13 -4.629 -7.229 0.333 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.554 -8.302 0.402 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.065 -5.891 0.795 1.00 0.00 C ATOM 0 H LEU A 13 -7.294 -6.145 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.936 -5.011 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.019 -7.842 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.422 -7.456 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.447 -7.499 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.161 -8.359 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.983 -9.265 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.746 -8.053 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.672 -5.991 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.263 -5.583 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.855 -5.140 0.785 1.00 0.00 H new ATOM 248 N ALA A 14 -7.130 -6.118 -3.443 1.00 0.00 N ATOM 249 CA ALA A 14 -7.479 -6.140 -4.857 1.00 0.00 C ATOM 250 C ALA A 14 -7.436 -4.732 -5.439 1.00 0.00 C ATOM 251 O ALA A 14 -6.821 -4.496 -6.479 1.00 0.00 O ATOM 252 CB ALA A 14 -8.856 -6.756 -5.053 1.00 0.00 C ATOM 0 H ALA A 14 -7.879 -6.415 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.748 -6.752 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.103 -6.765 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.855 -7.777 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.598 -6.168 -4.513 1.00 0.00 H new ATOM 258 N ARG A 15 -8.088 -3.798 -4.754 1.00 0.00 N ATOM 259 CA ARG A 15 -8.117 -2.409 -5.196 1.00 0.00 C ATOM 260 C ARG A 15 -6.717 -1.806 -5.156 1.00 0.00 C ATOM 261 O ARG A 15 -6.263 -1.195 -6.124 1.00 0.00 O ATOM 262 CB ARG A 15 -9.066 -1.590 -4.319 1.00 0.00 C ATOM 263 CG ARG A 15 -10.492 -1.543 -4.844 1.00 0.00 C ATOM 264 CD ARG A 15 -11.139 -0.191 -4.586 1.00 0.00 C ATOM 265 NE ARG A 15 -11.360 0.557 -5.822 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.389 0.350 -6.641 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.292 -0.582 -6.361 1.00 0.00 N ATOM 268 NH2 ARG A 15 -12.515 1.077 -7.742 1.00 0.00 N ATOM 0 H ARG A 15 -8.603 -3.978 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.479 -2.384 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.072 -2.010 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.684 -0.572 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.493 -1.749 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.082 -2.326 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.091 -0.337 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.505 0.392 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.686 1.281 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.199 -1.144 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.078 -0.736 -6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.824 1.794 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.303 0.919 -8.370 1.00 0.00 H new ATOM 282 N LEU A 16 -6.035 -1.988 -4.029 1.00 0.00 N ATOM 283 CA LEU A 16 -4.684 -1.469 -3.860 1.00 0.00 C ATOM 284 C LEU A 16 -3.743 -2.068 -4.901 1.00 0.00 C ATOM 285 O LEU A 16 -2.893 -1.373 -5.457 1.00 0.00 O ATOM 286 CB LEU A 16 -4.169 -1.775 -2.452 1.00 0.00 C ATOM 287 CG LEU A 16 -5.048 -1.255 -1.312 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.998 -2.202 -0.121 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.615 0.146 -0.902 1.00 0.00 C ATOM 0 H LEU A 16 -6.397 -2.492 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.714 -0.388 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.065 -2.855 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.172 -1.347 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.078 -1.207 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.629 -1.815 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.358 -3.186 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.971 -2.285 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.251 0.500 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.578 0.123 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.706 0.819 -1.755 1.00 0.00 H new ATOM 301 N LYS A 17 -3.906 -3.362 -5.161 1.00 0.00 N ATOM 302 CA LYS A 17 -3.076 -4.056 -6.139 1.00 0.00 C ATOM 303 C LYS A 17 -3.247 -3.438 -7.520 1.00 0.00 C ATOM 304 O LYS A 17 -2.272 -3.218 -8.238 1.00 0.00 O ATOM 305 CB LYS A 17 -3.431 -5.544 -6.182 1.00 0.00 C ATOM 306 CG LYS A 17 -2.627 -6.388 -5.207 1.00 0.00 C ATOM 307 CD LYS A 17 -2.775 -7.873 -5.500 1.00 0.00 C ATOM 308 CE LYS A 17 -3.723 -8.546 -4.519 1.00 0.00 C ATOM 309 NZ LYS A 17 -4.787 -9.319 -5.217 1.00 0.00 N ATOM 0 H LYS A 17 -4.605 -3.951 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.034 -3.953 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.492 -5.663 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.270 -5.919 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.575 -6.108 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.957 -6.183 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.146 -8.009 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.798 -8.353 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.158 -9.213 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.182 -7.791 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.412 -9.762 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.343 -8.679 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.350 -10.057 -5.806 1.00 0.00 H new ATOM 323 N ARG A 18 -4.493 -3.153 -7.883 1.00 0.00 N ATOM 324 CA ARG A 18 -4.787 -2.551 -9.177 1.00 0.00 C ATOM 325 C ARG A 18 -4.118 -1.187 -9.295 1.00 0.00 C ATOM 326 O ARG A 18 -3.536 -0.855 -10.328 1.00 0.00 O ATOM 327 CB ARG A 18 -6.297 -2.412 -9.372 1.00 0.00 C ATOM 328 CG ARG A 18 -6.695 -2.062 -10.796 1.00 0.00 C ATOM 329 CD ARG A 18 -8.103 -1.492 -10.859 1.00 0.00 C ATOM 330 NE ARG A 18 -9.075 -2.489 -11.303 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.062 -3.051 -12.509 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.135 -2.714 -13.398 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.978 -3.955 -12.829 1.00 0.00 N ATOM 0 H ARG A 18 -5.312 -3.329 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.392 -3.204 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.780 -3.347 -9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.673 -1.642 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.990 -1.338 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.634 -2.953 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.388 -1.120 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.120 -0.640 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.806 -2.771 -10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.427 -2.020 -13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.131 -3.149 -14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.692 -4.219 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.968 -4.386 -13.753 1.00 0.00 H new ATOM 347 N GLU A 19 -4.200 -0.401 -8.226 1.00 0.00 N ATOM 348 CA GLU A 19 -3.596 0.926 -8.205 1.00 0.00 C ATOM 349 C GLU A 19 -2.075 0.825 -8.253 1.00 0.00 C ATOM 350 O GLU A 19 -1.413 1.588 -8.956 1.00 0.00 O ATOM 351 CB GLU A 19 -4.033 1.689 -6.952 1.00 0.00 C ATOM 352 CG GLU A 19 -4.395 3.141 -7.219 1.00 0.00 C ATOM 353 CD GLU A 19 -5.864 3.324 -7.546 1.00 0.00 C ATOM 354 OE1 GLU A 19 -6.691 3.281 -6.610 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.189 3.512 -8.737 1.00 0.00 O ATOM 0 H GLU A 19 -4.679 -0.660 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.935 1.471 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.892 1.184 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.230 1.653 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.144 3.741 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.793 3.516 -8.047 1.00 0.00 H new ATOM 362 N PHE A 20 -1.528 -0.128 -7.502 1.00 0.00 N ATOM 363 CA PHE A 20 -0.085 -0.336 -7.460 1.00 0.00 C ATOM 364 C PHE A 20 0.439 -0.743 -8.832 1.00 0.00 C ATOM 365 O PHE A 20 1.525 -0.334 -9.241 1.00 0.00 O ATOM 366 CB PHE A 20 0.265 -1.410 -6.427 1.00 0.00 C ATOM 367 CG PHE A 20 1.736 -1.513 -6.137 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.379 -0.531 -5.401 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.475 -2.589 -6.600 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.731 -0.621 -5.130 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.827 -2.685 -6.333 1.00 0.00 C ATOM 372 CZ PHE A 20 4.456 -1.700 -5.597 1.00 0.00 C ATOM 0 H PHE A 20 -2.063 -0.768 -6.915 1.00 0.00 H new ATOM 0 HA PHE A 20 0.389 0.602 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.265 -1.195 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.094 -2.375 -6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.817 0.315 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.989 -3.362 -7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.220 0.151 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.392 -3.530 -6.699 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.513 -1.773 -5.387 1.00 0.00 H new ATOM 382 N ASN A 21 -0.344 -1.551 -9.539 1.00 0.00 N ATOM 383 CA ASN A 21 0.035 -2.015 -10.868 1.00 0.00 C ATOM 384 C ASN A 21 0.147 -0.843 -11.839 1.00 0.00 C ATOM 385 O ASN A 21 0.933 -0.881 -12.786 1.00 0.00 O ATOM 386 CB ASN A 21 -0.988 -3.026 -11.388 1.00 0.00 C ATOM 387 CG ASN A 21 -0.544 -3.686 -12.679 1.00 0.00 C ATOM 388 OD1 ASN A 21 -0.595 -3.079 -13.749 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.106 -4.936 -12.584 1.00 0.00 N ATOM 0 H ASN A 21 -1.246 -1.898 -9.213 1.00 0.00 H new ATOM 0 HA ASN A 21 1.009 -2.499 -10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.155 -3.792 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.942 -2.523 -11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.206 -5.432 -13.419 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.081 -5.400 -11.676 1.00 0.00 H new ATOM 396 N GLU A 22 -0.644 0.197 -11.595 1.00 0.00 N ATOM 397 CA GLU A 22 -0.633 1.380 -12.446 1.00 0.00 C ATOM 398 C GLU A 22 0.498 2.324 -12.050 1.00 0.00 C ATOM 399 O GLU A 22 1.102 2.976 -12.901 1.00 0.00 O ATOM 400 CB GLU A 22 -1.976 2.110 -12.357 1.00 0.00 C ATOM 401 CG GLU A 22 -3.154 1.271 -12.825 1.00 0.00 C ATOM 402 CD GLU A 22 -4.442 2.068 -12.899 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.927 2.514 -11.838 1.00 0.00 O ATOM 404 OE2 GLU A 22 -4.967 2.245 -14.018 1.00 0.00 O ATOM 0 H GLU A 22 -1.300 0.244 -10.815 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.470 1.056 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.146 2.417 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.927 3.019 -12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.932 0.854 -13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.290 0.430 -12.145 1.00 0.00 H new ATOM 411 N ASN A 23 0.779 2.390 -10.752 1.00 0.00 N ATOM 412 CA ASN A 23 1.839 3.254 -10.246 1.00 0.00 C ATOM 413 C ASN A 23 2.316 2.784 -8.875 1.00 0.00 C ATOM 414 O ASN A 23 1.555 2.783 -7.908 1.00 0.00 O ATOM 415 CB ASN A 23 1.351 4.703 -10.165 1.00 0.00 C ATOM 416 CG ASN A 23 2.077 5.611 -11.138 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.755 6.623 -10.610 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 2.029 5.404 -12.351 1.00 0.00 N flip ATOM 0 H ASN A 23 0.289 1.857 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 23 2.679 3.202 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.281 4.736 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.492 5.075 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.495 4.614 -12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.523 6.023 -12.994 1.00 0.00 H new ATOM 425 N ARG A 24 3.583 2.387 -8.801 1.00 0.00 N ATOM 426 CA ARG A 24 4.172 1.914 -7.550 1.00 0.00 C ATOM 427 C ARG A 24 4.427 3.063 -6.570 1.00 0.00 C ATOM 428 O ARG A 24 4.949 2.847 -5.477 1.00 0.00 O ATOM 429 CB ARG A 24 5.478 1.170 -7.834 1.00 0.00 C ATOM 430 CG ARG A 24 5.275 -0.165 -8.531 1.00 0.00 C ATOM 431 CD ARG A 24 6.593 -0.896 -8.727 1.00 0.00 C ATOM 432 NE ARG A 24 7.173 -0.635 -10.043 1.00 0.00 N ATOM 433 CZ ARG A 24 8.482 -0.554 -10.280 1.00 0.00 C ATOM 434 NH1 ARG A 24 9.358 -0.716 -9.295 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.917 -0.315 -11.509 1.00 0.00 N ATOM 0 H ARG A 24 4.224 2.383 -9.594 1.00 0.00 H new ATOM 0 HA ARG A 24 3.458 1.234 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.119 1.800 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.004 1.004 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.598 -0.785 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.800 -0.003 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.297 -0.589 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.435 -1.968 -8.607 1.00 0.00 H new ATOM 0 HE ARG A 24 6.536 -0.507 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.031 -0.904 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.358 -0.652 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.250 -0.193 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.918 -0.253 -11.692 1.00 0.00 H new ATOM 449 N TYR A 25 4.058 4.282 -6.962 1.00 0.00 N ATOM 450 CA TYR A 25 4.249 5.450 -6.110 1.00 0.00 C ATOM 451 C TYR A 25 2.915 6.135 -5.843 1.00 0.00 C ATOM 452 O TYR A 25 2.152 6.412 -6.769 1.00 0.00 O ATOM 453 CB TYR A 25 5.220 6.433 -6.768 1.00 0.00 C ATOM 454 CG TYR A 25 6.506 5.790 -7.237 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.575 5.615 -6.367 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.651 5.359 -8.549 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.751 5.028 -6.790 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.825 4.769 -8.981 1.00 0.00 C ATOM 459 CZ TYR A 25 8.871 4.607 -8.098 1.00 0.00 C ATOM 460 OH TYR A 25 10.041 4.021 -8.524 1.00 0.00 O ATOM 0 H TYR A 25 3.626 4.484 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 25 4.670 5.120 -5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.727 6.903 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.457 7.226 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.485 5.944 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.834 5.487 -9.243 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.572 4.899 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.922 4.437 -10.004 1.00 0.00 H new ATOM 0 HH TYR A 25 9.961 3.781 -9.471 1.00 0.00 H new ATOM 470 N LEU A 26 2.632 6.397 -4.573 1.00 0.00 N ATOM 471 CA LEU A 26 1.380 7.039 -4.192 1.00 0.00 C ATOM 472 C LEU A 26 1.530 8.551 -4.100 1.00 0.00 C ATOM 473 O LEU A 26 2.598 9.107 -4.361 1.00 0.00 O ATOM 474 CB LEU A 26 0.889 6.503 -2.845 1.00 0.00 C ATOM 475 CG LEU A 26 -0.006 5.263 -2.900 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.563 4.964 -1.518 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.149 5.443 -3.888 1.00 0.00 C ATOM 0 H LEU A 26 3.250 6.176 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 26 0.652 6.807 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.759 6.271 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.343 7.298 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 26 0.604 4.425 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.199 4.080 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.259 4.783 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.149 5.815 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.764 4.543 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.759 6.295 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.744 5.620 -4.884 1.00 0.00 H new ATOM 489 N THR A 27 0.441 9.201 -3.712 1.00 0.00 N ATOM 490 CA THR A 27 0.407 10.646 -3.553 1.00 0.00 C ATOM 491 C THR A 27 -0.577 11.011 -2.452 1.00 0.00 C ATOM 492 O THR A 27 -1.361 10.171 -2.015 1.00 0.00 O ATOM 493 CB THR A 27 -0.003 11.322 -4.864 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.412 11.257 -5.043 1.00 0.00 O ATOM 495 CG2 THR A 27 0.656 10.712 -6.085 1.00 0.00 C ATOM 0 H THR A 27 -0.443 8.740 -3.499 1.00 0.00 H new ATOM 0 HA THR A 27 1.404 10.995 -3.283 1.00 0.00 H new ATOM 0 HB THR A 27 0.332 12.356 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.655 11.695 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.322 11.238 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.739 10.799 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.382 9.660 -6.159 1.00 0.00 H new ATOM 503 N GLU A 28 -0.544 12.259 -2.003 1.00 0.00 N ATOM 504 CA GLU A 28 -1.455 12.699 -0.954 1.00 0.00 C ATOM 505 C GLU A 28 -2.900 12.437 -1.363 1.00 0.00 C ATOM 506 O GLU A 28 -3.672 11.836 -0.616 1.00 0.00 O ATOM 507 CB GLU A 28 -1.252 14.187 -0.658 1.00 0.00 C ATOM 508 CG GLU A 28 -1.462 14.549 0.802 1.00 0.00 C ATOM 509 CD GLU A 28 -1.675 16.037 1.008 1.00 0.00 C ATOM 510 OE1 GLU A 28 -0.676 16.786 0.995 1.00 0.00 O ATOM 511 OE2 GLU A 28 -2.840 16.452 1.183 1.00 0.00 O ATOM 0 H GLU A 28 0.095 12.977 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.238 12.131 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.243 14.474 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.941 14.768 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.325 14.005 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.597 14.226 1.381 1.00 0.00 H new ATOM 518 N ARG A 29 -3.253 12.887 -2.562 1.00 0.00 N ATOM 519 CA ARG A 29 -4.599 12.702 -3.089 1.00 0.00 C ATOM 520 C ARG A 29 -4.953 11.220 -3.205 1.00 0.00 C ATOM 521 O ARG A 29 -6.085 10.820 -2.926 1.00 0.00 O ATOM 522 CB ARG A 29 -4.728 13.376 -4.455 1.00 0.00 C ATOM 523 CG ARG A 29 -6.079 14.037 -4.681 1.00 0.00 C ATOM 524 CD ARG A 29 -5.987 15.550 -4.566 1.00 0.00 C ATOM 525 NE ARG A 29 -7.287 16.192 -4.747 1.00 0.00 N ATOM 526 CZ ARG A 29 -7.919 16.270 -5.916 1.00 0.00 C ATOM 527 NH1 ARG A 29 -7.372 15.752 -7.009 1.00 0.00 N ATOM 528 NH2 ARG A 29 -9.101 16.865 -5.992 1.00 0.00 N ATOM 0 H ARG A 29 -2.622 13.385 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.297 13.164 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.944 14.126 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.561 12.633 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.456 13.769 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.796 13.659 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.584 15.816 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.288 15.929 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.737 16.605 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.463 15.292 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.860 15.814 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.526 17.263 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.585 16.925 -6.888 1.00 0.00 H new ATOM 542 N ARG A 30 -3.985 10.409 -3.628 1.00 0.00 N ATOM 543 CA ARG A 30 -4.208 8.976 -3.793 1.00 0.00 C ATOM 544 C ARG A 30 -4.391 8.284 -2.446 1.00 0.00 C ATOM 545 O ARG A 30 -5.265 7.431 -2.290 1.00 0.00 O ATOM 546 CB ARG A 30 -3.039 8.345 -4.553 1.00 0.00 C ATOM 547 CG ARG A 30 -3.416 7.832 -5.935 1.00 0.00 C ATOM 548 CD ARG A 30 -3.656 8.976 -6.909 1.00 0.00 C ATOM 549 NE ARG A 30 -5.049 9.038 -7.349 1.00 0.00 N ATOM 550 CZ ARG A 30 -5.489 8.554 -8.510 1.00 0.00 C ATOM 551 NH1 ARG A 30 -4.655 7.961 -9.358 1.00 0.00 N ATOM 552 NH2 ARG A 30 -6.773 8.661 -8.825 1.00 0.00 N ATOM 0 H ARG A 30 -3.042 10.720 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.125 8.843 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.242 9.082 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.638 7.519 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.621 7.190 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.314 7.219 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.383 9.919 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.007 8.856 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.727 9.480 -6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.666 7.872 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.004 7.594 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.421 9.113 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.113 8.292 -9.713 1.00 0.00 H new ATOM 566 N ARG A 31 -3.562 8.651 -1.476 1.00 0.00 N ATOM 567 CA ARG A 31 -3.635 8.061 -0.146 1.00 0.00 C ATOM 568 C ARG A 31 -4.995 8.325 0.490 1.00 0.00 C ATOM 569 O ARG A 31 -5.636 7.414 1.013 1.00 0.00 O ATOM 570 CB ARG A 31 -2.524 8.622 0.745 1.00 0.00 C ATOM 571 CG ARG A 31 -2.028 7.638 1.791 1.00 0.00 C ATOM 572 CD ARG A 31 -0.597 7.940 2.211 1.00 0.00 C ATOM 573 NE ARG A 31 -0.466 8.063 3.662 1.00 0.00 N ATOM 574 CZ ARG A 31 -0.567 9.212 4.327 1.00 0.00 C ATOM 575 NH1 ARG A 31 -0.819 10.346 3.683 1.00 0.00 N ATOM 576 NH2 ARG A 31 -0.424 9.228 5.645 1.00 0.00 N ATOM 0 H ARG A 31 -2.832 9.354 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.502 6.984 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.686 8.926 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.889 9.519 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.679 7.675 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.085 6.625 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.061 7.148 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.268 8.865 1.738 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.286 7.215 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.937 10.342 2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.895 11.221 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.237 8.361 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.501 10.108 6.156 1.00 0.00 H new ATOM 590 N GLN A 32 -5.426 9.579 0.441 1.00 0.00 N ATOM 591 CA GLN A 32 -6.709 9.974 1.013 1.00 0.00 C ATOM 592 C GLN A 32 -7.872 9.360 0.238 1.00 0.00 C ATOM 593 O GLN A 32 -8.910 9.033 0.814 1.00 0.00 O ATOM 594 CB GLN A 32 -6.838 11.498 1.024 1.00 0.00 C ATOM 595 CG GLN A 32 -8.018 12.003 1.841 1.00 0.00 C ATOM 596 CD GLN A 32 -8.976 12.848 1.024 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.159 14.035 1.294 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.594 12.238 0.019 1.00 0.00 N ATOM 0 H GLN A 32 -4.905 10.343 0.010 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.747 9.603 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.920 11.929 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.938 11.853 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.556 11.152 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.648 12.590 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.412 11.252 -0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.251 12.755 -0.565 1.00 0.00 H new ATOM 607 N GLN A 33 -7.695 9.210 -1.071 1.00 0.00 N ATOM 608 CA GLN A 33 -8.735 8.641 -1.921 1.00 0.00 C ATOM 609 C GLN A 33 -8.964 7.170 -1.589 1.00 0.00 C ATOM 610 O GLN A 33 -10.098 6.742 -1.371 1.00 0.00 O ATOM 611 CB GLN A 33 -8.357 8.787 -3.396 1.00 0.00 C ATOM 612 CG GLN A 33 -8.692 10.151 -3.978 1.00 0.00 C ATOM 613 CD GLN A 33 -10.185 10.375 -4.116 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.816 10.841 -3.044 1.00 0.00 O flip ATOM 615 NE2 GLN A 33 -10.766 10.132 -5.175 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.843 9.474 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.659 9.188 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.288 8.606 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.873 8.019 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.269 10.928 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.221 10.250 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.242 9.775 -5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.771 10.288 -5.253 1.00 0.00 H new ATOM 624 N LEU A 34 -7.882 6.402 -1.551 1.00 0.00 N ATOM 625 CA LEU A 34 -7.965 4.979 -1.245 1.00 0.00 C ATOM 626 C LEU A 34 -8.435 4.757 0.189 1.00 0.00 C ATOM 627 O LEU A 34 -9.184 3.821 0.470 1.00 0.00 O ATOM 628 CB LEU A 34 -6.604 4.312 -1.458 1.00 0.00 C ATOM 629 CG LEU A 34 -6.360 3.775 -2.870 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.599 4.865 -3.904 1.00 0.00 C ATOM 631 CD2 LEU A 34 -4.948 3.223 -2.992 1.00 0.00 C ATOM 0 H LEU A 34 -6.936 6.741 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.693 4.529 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.822 5.033 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.505 3.489 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.064 2.964 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.421 4.465 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.629 5.215 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.919 5.697 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.791 2.845 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.228 4.015 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.811 2.412 -2.276 1.00 0.00 H new ATOM 643 N SER A 35 -7.990 5.624 1.094 1.00 0.00 N ATOM 644 CA SER A 35 -8.364 5.526 2.498 1.00 0.00 C ATOM 645 C SER A 35 -9.872 5.654 2.668 1.00 0.00 C ATOM 646 O SER A 35 -10.503 4.846 3.345 1.00 0.00 O ATOM 647 CB SER A 35 -7.655 6.610 3.313 1.00 0.00 C ATOM 648 OG SER A 35 -6.719 6.044 4.212 1.00 0.00 O ATOM 0 H SER A 35 -7.369 6.403 0.878 1.00 0.00 H new ATOM 0 HA SER A 35 -8.056 4.546 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.146 7.300 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.391 7.191 3.868 1.00 0.00 H new ATOM 0 HG SER A 35 -7.078 5.206 4.573 1.00 0.00 H new ATOM 654 N SER A 36 -10.436 6.685 2.055 1.00 0.00 N ATOM 655 CA SER A 36 -11.872 6.936 2.139 1.00 0.00 C ATOM 656 C SER A 36 -12.673 5.873 1.390 1.00 0.00 C ATOM 657 O SER A 36 -13.717 5.422 1.862 1.00 0.00 O ATOM 658 CB SER A 36 -12.198 8.323 1.581 1.00 0.00 C ATOM 659 OG SER A 36 -13.346 8.867 2.208 1.00 0.00 O ATOM 0 H SER A 36 -9.922 7.363 1.493 1.00 0.00 H new ATOM 0 HA SER A 36 -12.155 6.892 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.348 8.988 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.364 8.256 0.506 1.00 0.00 H new ATOM 0 HG SER A 36 -13.533 9.754 1.836 1.00 0.00 H new ATOM 665 N GLU A 37 -12.187 5.491 0.214 1.00 0.00 N ATOM 666 CA GLU A 37 -12.865 4.497 -0.613 1.00 0.00 C ATOM 667 C GLU A 37 -12.935 3.134 0.072 1.00 0.00 C ATOM 668 O GLU A 37 -14.017 2.570 0.239 1.00 0.00 O ATOM 669 CB GLU A 37 -12.155 4.360 -1.961 1.00 0.00 C ATOM 670 CG GLU A 37 -13.105 4.154 -3.129 1.00 0.00 C ATOM 671 CD GLU A 37 -13.256 5.398 -3.984 1.00 0.00 C ATOM 672 OE1 GLU A 37 -13.262 6.510 -3.417 1.00 0.00 O ATOM 673 OE2 GLU A 37 -13.367 5.259 -5.220 1.00 0.00 O ATOM 0 H GLU A 37 -11.324 5.855 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.886 4.846 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.559 5.255 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.462 3.520 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.741 3.334 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.083 3.857 -2.749 1.00 0.00 H new ATOM 680 N LEU A 38 -11.779 2.602 0.454 1.00 0.00 N ATOM 681 CA LEU A 38 -11.719 1.296 1.102 1.00 0.00 C ATOM 682 C LEU A 38 -11.944 1.402 2.610 1.00 0.00 C ATOM 683 O LEU A 38 -12.107 0.389 3.291 1.00 0.00 O ATOM 684 CB LEU A 38 -10.369 0.631 0.826 1.00 0.00 C ATOM 685 CG LEU A 38 -10.136 0.215 -0.629 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.760 -0.413 -0.788 1.00 0.00 C ATOM 687 CD2 LEU A 38 -11.224 -0.748 -1.090 1.00 0.00 C ATOM 0 H LEU A 38 -10.873 3.053 0.327 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.519 0.685 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.576 1.317 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.280 -0.252 1.459 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.181 1.106 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.610 -0.703 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.995 0.308 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.687 -1.295 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.042 -1.033 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.212 -1.638 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.197 -0.262 -1.012 1.00 0.00 H new ATOM 699 N GLY A 39 -11.951 2.626 3.129 1.00 0.00 N ATOM 700 CA GLY A 39 -12.157 2.825 4.551 1.00 0.00 C ATOM 701 C GLY A 39 -10.974 2.362 5.380 1.00 0.00 C ATOM 702 O GLY A 39 -11.146 1.805 6.463 1.00 0.00 O ATOM 0 H GLY A 39 -11.818 3.482 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.340 3.882 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.050 2.284 4.865 1.00 0.00 H new ATOM 706 N LEU A 40 -9.768 2.593 4.869 1.00 0.00 N ATOM 707 CA LEU A 40 -8.552 2.195 5.568 1.00 0.00 C ATOM 708 C LEU A 40 -7.770 3.416 6.044 1.00 0.00 C ATOM 709 O LEU A 40 -8.065 4.545 5.654 1.00 0.00 O ATOM 710 CB LEU A 40 -7.672 1.338 4.656 1.00 0.00 C ATOM 711 CG LEU A 40 -8.085 -0.131 4.552 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.794 -0.670 3.160 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.369 -0.961 5.608 1.00 0.00 C ATOM 0 H LEU A 40 -9.608 3.054 3.973 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.842 1.609 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.679 1.773 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.645 1.386 5.018 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.158 -0.201 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.094 -1.716 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.352 -0.093 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.727 -0.587 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.674 -2.004 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.292 -0.885 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.628 -0.590 6.600 1.00 0.00 H new ATOM 725 N ASN A 41 -6.770 3.179 6.888 1.00 0.00 N ATOM 726 CA ASN A 41 -5.943 4.257 7.417 1.00 0.00 C ATOM 727 C ASN A 41 -4.842 4.631 6.427 1.00 0.00 C ATOM 728 O ASN A 41 -4.154 3.762 5.892 1.00 0.00 O ATOM 729 CB ASN A 41 -5.328 3.846 8.758 1.00 0.00 C ATOM 730 CG ASN A 41 -5.882 4.650 9.918 1.00 0.00 C ATOM 731 OD1 ASN A 41 -7.092 4.845 10.032 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.996 5.121 10.788 1.00 0.00 N ATOM 0 H ASN A 41 -6.513 2.249 7.220 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.578 5.129 7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.516 2.786 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.247 3.975 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.310 5.668 11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.002 4.935 10.655 1.00 0.00 H new ATOM 739 N GLU A 42 -4.684 5.931 6.190 1.00 0.00 N ATOM 740 CA GLU A 42 -3.670 6.426 5.262 1.00 0.00 C ATOM 741 C GLU A 42 -2.297 5.835 5.572 1.00 0.00 C ATOM 742 O GLU A 42 -1.532 5.514 4.663 1.00 0.00 O ATOM 743 CB GLU A 42 -3.605 7.953 5.319 1.00 0.00 C ATOM 744 CG GLU A 42 -4.912 8.632 4.941 1.00 0.00 C ATOM 745 CD GLU A 42 -5.085 9.980 5.611 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.504 10.968 5.116 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.800 10.048 6.633 1.00 0.00 O ATOM 0 H GLU A 42 -5.246 6.661 6.628 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.954 6.113 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.324 8.259 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.818 8.300 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.950 8.761 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.745 7.985 5.215 1.00 0.00 H new ATOM 754 N ALA A 43 -1.991 5.693 6.856 1.00 0.00 N ATOM 755 CA ALA A 43 -0.710 5.137 7.275 1.00 0.00 C ATOM 756 C ALA A 43 -0.577 3.685 6.831 1.00 0.00 C ATOM 757 O ALA A 43 0.507 3.234 6.457 1.00 0.00 O ATOM 758 CB ALA A 43 -0.554 5.248 8.784 1.00 0.00 C ATOM 0 H ALA A 43 -2.610 5.954 7.623 1.00 0.00 H new ATOM 0 HA ALA A 43 0.084 5.712 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.407 4.829 9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.600 6.297 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.357 4.698 9.274 1.00 0.00 H new ATOM 764 N GLN A 44 -1.689 2.959 6.868 1.00 0.00 N ATOM 765 CA GLN A 44 -1.699 1.558 6.467 1.00 0.00 C ATOM 766 C GLN A 44 -1.498 1.428 4.963 1.00 0.00 C ATOM 767 O GLN A 44 -0.795 0.533 4.496 1.00 0.00 O ATOM 768 CB GLN A 44 -3.016 0.898 6.877 1.00 0.00 C ATOM 769 CG GLN A 44 -3.379 1.122 8.336 1.00 0.00 C ATOM 770 CD GLN A 44 -4.686 0.458 8.720 1.00 0.00 C ATOM 771 OE1 GLN A 44 -5.493 0.107 7.860 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.902 0.283 10.018 1.00 0.00 N ATOM 0 H GLN A 44 -2.594 3.318 7.171 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.877 1.052 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.818 1.284 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.951 -0.173 6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.580 0.736 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.449 2.193 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.205 0.589 10.697 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.765 -0.158 10.337 1.00 0.00 H new ATOM 781 N ILE A 45 -2.111 2.334 4.210 1.00 0.00 N ATOM 782 CA ILE A 45 -1.986 2.323 2.760 1.00 0.00 C ATOM 783 C ILE A 45 -0.551 2.623 2.346 1.00 0.00 C ATOM 784 O ILE A 45 0.019 1.939 1.497 1.00 0.00 O ATOM 785 CB ILE A 45 -2.927 3.349 2.100 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.354 3.180 2.626 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.893 3.201 0.585 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.342 4.152 2.022 1.00 0.00 C ATOM 0 H ILE A 45 -2.697 3.083 4.579 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.267 1.326 2.421 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.583 4.351 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.688 2.163 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.350 3.305 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.563 3.932 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.878 3.368 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.214 2.196 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.332 3.973 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.032 5.173 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.376 4.012 0.942 1.00 0.00 H new ATOM 800 N LYS A 46 0.032 3.649 2.962 1.00 0.00 N ATOM 801 CA LYS A 46 1.406 4.034 2.666 1.00 0.00 C ATOM 802 C LYS A 46 2.358 2.875 2.937 1.00 0.00 C ATOM 803 O LYS A 46 3.228 2.570 2.122 1.00 0.00 O ATOM 804 CB LYS A 46 1.811 5.253 3.497 1.00 0.00 C ATOM 805 CG LYS A 46 3.093 5.917 3.018 1.00 0.00 C ATOM 806 CD LYS A 46 4.242 5.677 3.984 1.00 0.00 C ATOM 807 CE LYS A 46 4.390 6.825 4.970 1.00 0.00 C ATOM 808 NZ LYS A 46 5.012 8.022 4.341 1.00 0.00 N ATOM 0 H LYS A 46 -0.426 4.226 3.667 1.00 0.00 H new ATOM 0 HA LYS A 46 1.467 4.294 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.002 5.984 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.935 4.949 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.358 5.531 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.929 6.989 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.073 4.748 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.169 5.555 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.410 7.091 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.998 6.502 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.250 8.717 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.878 7.740 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.343 8.447 3.667 1.00 0.00 H new ATOM 822 N ILE A 47 2.180 2.224 4.085 1.00 0.00 N ATOM 823 CA ILE A 47 3.020 1.090 4.450 1.00 0.00 C ATOM 824 C ILE A 47 2.834 -0.054 3.459 1.00 0.00 C ATOM 825 O ILE A 47 3.787 -0.750 3.111 1.00 0.00 O ATOM 826 CB ILE A 47 2.705 0.586 5.875 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.921 1.704 6.896 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.567 -0.621 6.219 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.117 1.525 8.166 1.00 0.00 C ATOM 0 H ILE A 47 1.466 2.462 4.773 1.00 0.00 H new ATOM 0 HA ILE A 47 4.054 1.432 4.424 1.00 0.00 H new ATOM 0 HB ILE A 47 1.659 0.282 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.980 1.754 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.657 2.658 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.330 -0.962 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.369 -1.424 5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.620 -0.343 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.319 2.354 8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.054 1.505 7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.398 0.587 8.645 1.00 0.00 H new ATOM 841 N TRP A 48 1.598 -0.236 3.007 1.00 0.00 N ATOM 842 CA TRP A 48 1.280 -1.291 2.053 1.00 0.00 C ATOM 843 C TRP A 48 1.993 -1.054 0.726 1.00 0.00 C ATOM 844 O TRP A 48 2.538 -1.980 0.127 1.00 0.00 O ATOM 845 CB TRP A 48 -0.232 -1.364 1.830 1.00 0.00 C ATOM 846 CG TRP A 48 -0.653 -2.515 0.969 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.990 -3.769 1.387 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.782 -2.516 -0.457 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.320 -4.552 0.308 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.199 -3.807 -0.835 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.584 -1.553 -1.451 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.423 -4.157 -2.164 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.806 -1.903 -2.770 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.222 -3.195 -3.115 1.00 0.00 C ATOM 0 H TRP A 48 0.800 0.334 3.286 1.00 0.00 H new ATOM 0 HA TRP A 48 1.625 -2.239 2.465 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.731 -1.442 2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.569 -0.435 1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.996 -4.098 2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.608 -5.529 0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.264 -0.554 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.744 -5.152 -2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.656 -1.168 -3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.388 -3.437 -4.154 1.00 0.00 H new ATOM 865 N PHE A 49 1.988 0.196 0.274 1.00 0.00 N ATOM 866 CA PHE A 49 2.638 0.556 -0.980 1.00 0.00 C ATOM 867 C PHE A 49 4.152 0.417 -0.863 1.00 0.00 C ATOM 868 O PHE A 49 4.807 -0.127 -1.751 1.00 0.00 O ATOM 869 CB PHE A 49 2.271 1.989 -1.376 1.00 0.00 C ATOM 870 CG PHE A 49 1.250 2.064 -2.475 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.086 1.803 -2.218 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.628 2.396 -3.767 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.027 1.871 -3.227 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.691 2.466 -4.780 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.637 2.202 -4.510 1.00 0.00 C ATOM 0 H PHE A 49 1.541 0.975 0.757 1.00 0.00 H new ATOM 0 HA PHE A 49 2.287 -0.126 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.889 2.513 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.173 2.512 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.396 1.543 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.666 2.602 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.066 1.666 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.997 2.727 -5.782 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.370 2.254 -5.301 1.00 0.00 H new ATOM 885 N GLN A 50 4.701 0.914 0.241 1.00 0.00 N ATOM 886 CA GLN A 50 6.138 0.845 0.478 1.00 0.00 C ATOM 887 C GLN A 50 6.601 -0.605 0.586 1.00 0.00 C ATOM 888 O GLN A 50 7.676 -0.960 0.102 1.00 0.00 O ATOM 889 CB GLN A 50 6.502 1.606 1.754 1.00 0.00 C ATOM 890 CG GLN A 50 7.994 1.851 1.913 1.00 0.00 C ATOM 891 CD GLN A 50 8.298 3.085 2.740 1.00 0.00 C ATOM 892 OE1 GLN A 50 7.897 4.195 2.388 1.00 0.00 O ATOM 893 NE2 GLN A 50 9.009 2.897 3.845 1.00 0.00 N ATOM 0 H GLN A 50 4.172 1.369 0.985 1.00 0.00 H new ATOM 0 HA GLN A 50 6.645 1.308 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.983 2.564 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.140 1.046 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.453 0.981 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.448 1.958 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.320 1.959 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.244 3.690 4.441 1.00 0.00 H new ATOM 902 N ASN A 51 5.783 -1.438 1.222 1.00 0.00 N ATOM 903 CA ASN A 51 6.112 -2.848 1.391 1.00 0.00 C ATOM 904 C ASN A 51 5.999 -3.596 0.066 1.00 0.00 C ATOM 905 O ASN A 51 6.789 -4.494 -0.220 1.00 0.00 O ATOM 906 CB ASN A 51 5.190 -3.488 2.432 1.00 0.00 C ATOM 907 CG ASN A 51 5.613 -3.164 3.851 1.00 0.00 C ATOM 908 OD1 ASN A 51 4.820 -2.663 4.648 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.869 -3.449 4.174 1.00 0.00 N ATOM 0 H ASN A 51 4.889 -1.161 1.628 1.00 0.00 H new ATOM 0 HA ASN A 51 7.143 -2.915 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.169 -3.142 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.185 -4.569 2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.211 -3.253 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.492 -3.864 3.481 1.00 0.00 H new ATOM 916 N LYS A 52 5.012 -3.217 -0.739 1.00 0.00 N ATOM 917 CA LYS A 52 4.796 -3.848 -2.035 1.00 0.00 C ATOM 918 C LYS A 52 5.949 -3.541 -2.986 1.00 0.00 C ATOM 919 O LYS A 52 6.294 -4.355 -3.844 1.00 0.00 O ATOM 920 CB LYS A 52 3.472 -3.376 -2.641 1.00 0.00 C ATOM 921 CG LYS A 52 2.434 -4.479 -2.774 1.00 0.00 C ATOM 922 CD LYS A 52 2.028 -5.032 -1.418 1.00 0.00 C ATOM 923 CE LYS A 52 1.360 -6.391 -1.550 1.00 0.00 C ATOM 924 NZ LYS A 52 0.752 -6.839 -0.267 1.00 0.00 N ATOM 0 H LYS A 52 4.349 -2.475 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 52 4.751 -4.927 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.063 -2.577 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.665 -2.950 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.554 -4.091 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.834 -5.284 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.908 -5.118 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.347 -4.336 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.589 -6.343 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.095 -7.126 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.207 -7.710 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.504 -7.024 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.120 -6.097 0.096 1.00 0.00 H new ATOM 938 N ARG A 53 6.541 -2.362 -2.827 1.00 0.00 N ATOM 939 CA ARG A 53 7.657 -1.944 -3.669 1.00 0.00 C ATOM 940 C ARG A 53 8.912 -2.750 -3.350 1.00 0.00 C ATOM 941 O ARG A 53 9.759 -2.969 -4.216 1.00 0.00 O ATOM 942 CB ARG A 53 7.933 -0.451 -3.481 1.00 0.00 C ATOM 943 CG ARG A 53 9.035 0.083 -4.382 1.00 0.00 C ATOM 944 CD ARG A 53 9.385 1.522 -4.039 1.00 0.00 C ATOM 945 NE ARG A 53 10.559 1.610 -3.173 1.00 0.00 N ATOM 946 CZ ARG A 53 11.089 2.758 -2.757 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.555 3.916 -3.125 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.156 2.747 -1.969 1.00 0.00 N ATOM 0 H ARG A 53 6.266 -1.678 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 53 7.384 -2.128 -4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.016 0.106 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.205 -0.269 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.922 -0.542 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.717 0.023 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.570 2.079 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.535 1.994 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 53 10.998 0.741 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.734 3.930 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.966 4.792 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.569 1.860 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.563 3.626 -1.650 1.00 0.00 H new