USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 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= 0.341 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0809 USER MOD Single : A 12 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 23 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 32 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -58:sc= 0.203 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.021) USER MOD Single : A 44 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.9!) 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 : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0454) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.245 -7.171 3.475 1.00 0.00 N ATOM 176 CA SER A 9 -9.167 -8.119 2.858 1.00 0.00 C ATOM 177 C SER A 9 -8.838 -8.317 1.383 1.00 0.00 C ATOM 178 O SER A 9 -8.195 -7.472 0.762 1.00 0.00 O ATOM 179 CB SER A 9 -10.608 -7.628 3.006 1.00 0.00 C ATOM 180 OG SER A 9 -10.928 -6.673 2.008 1.00 0.00 O ATOM 0 HA SER A 9 -9.059 -9.076 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.292 -8.474 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.745 -7.187 3.993 1.00 0.00 H new ATOM 0 HG SER A 9 -11.855 -6.376 2.124 1.00 0.00 H new ATOM 186 N SER A 10 -9.288 -9.438 0.825 1.00 0.00 N ATOM 187 CA SER A 10 -9.045 -9.745 -0.581 1.00 0.00 C ATOM 188 C SER A 10 -9.504 -8.596 -1.476 1.00 0.00 C ATOM 189 O SER A 10 -8.807 -8.211 -2.415 1.00 0.00 O ATOM 190 CB SER A 10 -9.769 -11.034 -0.976 1.00 0.00 C ATOM 191 OG SER A 10 -9.856 -11.927 0.120 1.00 0.00 O ATOM 0 H SER A 10 -9.823 -10.148 1.325 1.00 0.00 H new ATOM 0 HA SER A 10 -7.972 -9.882 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.770 -10.797 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.240 -11.514 -1.799 1.00 0.00 H new ATOM 0 HG SER A 10 -10.324 -12.742 -0.158 1.00 0.00 H new ATOM 197 N GLU A 11 -10.680 -8.054 -1.178 1.00 0.00 N ATOM 198 CA GLU A 11 -11.234 -6.949 -1.952 1.00 0.00 C ATOM 199 C GLU A 11 -10.377 -5.697 -1.802 1.00 0.00 C ATOM 200 O GLU A 11 -10.140 -4.972 -2.771 1.00 0.00 O ATOM 201 CB GLU A 11 -12.669 -6.656 -1.509 1.00 0.00 C ATOM 202 CG GLU A 11 -13.540 -6.076 -2.612 1.00 0.00 C ATOM 203 CD GLU A 11 -13.843 -7.080 -3.707 1.00 0.00 C ATOM 204 OE1 GLU A 11 -12.922 -7.405 -4.485 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.001 -7.541 -3.785 1.00 0.00 O ATOM 0 H GLU A 11 -11.269 -8.363 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.239 -7.241 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.123 -7.578 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.647 -5.959 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.476 -5.721 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.040 -5.210 -3.047 1.00 0.00 H new ATOM 212 N GLN A 12 -9.907 -5.450 -0.583 1.00 0.00 N ATOM 213 CA GLN A 12 -9.073 -4.286 -0.313 1.00 0.00 C ATOM 214 C GLN A 12 -7.735 -4.417 -1.027 1.00 0.00 C ATOM 215 O GLN A 12 -7.247 -3.464 -1.635 1.00 0.00 O ATOM 216 CB GLN A 12 -8.851 -4.126 1.191 1.00 0.00 C ATOM 217 CG GLN A 12 -10.078 -3.625 1.937 1.00 0.00 C ATOM 218 CD GLN A 12 -9.961 -3.807 3.438 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.225 -4.670 3.914 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.690 -2.992 4.191 1.00 0.00 N ATOM 0 H GLN A 12 -10.089 -6.038 0.230 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.586 -3.400 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.548 -5.086 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.027 -3.432 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.229 -2.569 1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.959 -4.156 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.287 -2.290 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.653 -3.067 5.208 1.00 0.00 H new ATOM 229 N LEU A 13 -7.152 -5.610 -0.965 1.00 0.00 N ATOM 230 CA LEU A 13 -5.879 -5.868 -1.623 1.00 0.00 C ATOM 231 C LEU A 13 -6.046 -5.798 -3.134 1.00 0.00 C ATOM 232 O LEU A 13 -5.149 -5.354 -3.848 1.00 0.00 O ATOM 233 CB LEU A 13 -5.331 -7.244 -1.226 1.00 0.00 C ATOM 234 CG LEU A 13 -4.706 -7.347 0.174 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.606 -8.397 0.179 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.153 -6.005 0.638 1.00 0.00 C ATOM 0 H LEU A 13 -7.541 -6.411 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.169 -5.105 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.143 -7.968 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.580 -7.538 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.490 -7.644 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.170 -8.462 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.025 -9.364 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.834 -8.118 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.719 -6.114 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.385 -5.667 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.959 -5.272 0.673 1.00 0.00 H new ATOM 248 N ALA A 14 -7.207 -6.234 -3.612 1.00 0.00 N ATOM 249 CA ALA A 14 -7.500 -6.215 -5.039 1.00 0.00 C ATOM 250 C ALA A 14 -7.487 -4.788 -5.570 1.00 0.00 C ATOM 251 O ALA A 14 -6.884 -4.504 -6.605 1.00 0.00 O ATOM 252 CB ALA A 14 -8.844 -6.873 -5.312 1.00 0.00 C ATOM 0 H ALA A 14 -7.959 -6.605 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.725 -6.780 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.049 -6.851 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.819 -7.907 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.628 -6.333 -4.781 1.00 0.00 H new ATOM 258 N ARG A 15 -8.151 -3.890 -4.849 1.00 0.00 N ATOM 259 CA ARG A 15 -8.208 -2.488 -5.245 1.00 0.00 C ATOM 260 C ARG A 15 -6.817 -1.864 -5.204 1.00 0.00 C ATOM 261 O ARG A 15 -6.381 -1.223 -6.162 1.00 0.00 O ATOM 262 CB ARG A 15 -9.160 -1.716 -4.327 1.00 0.00 C ATOM 263 CG ARG A 15 -10.380 -1.162 -5.045 1.00 0.00 C ATOM 264 CD ARG A 15 -11.253 -2.277 -5.596 1.00 0.00 C ATOM 265 NE ARG A 15 -12.570 -1.790 -6.002 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.653 -2.559 -6.087 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.582 -3.854 -5.803 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.811 -2.033 -6.462 1.00 0.00 N ATOM 0 H ARG A 15 -8.656 -4.108 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.583 -2.433 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.489 -2.374 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.617 -0.893 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.962 -0.549 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.061 -0.512 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.757 -2.737 -6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.371 -3.053 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.665 -0.801 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.693 -4.266 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.416 -4.437 -5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.871 -1.040 -6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.641 -2.622 -6.527 1.00 0.00 H new ATOM 282 N LEU A 16 -6.124 -2.060 -4.086 1.00 0.00 N ATOM 283 CA LEU A 16 -4.781 -1.521 -3.916 1.00 0.00 C ATOM 284 C LEU A 16 -3.827 -2.107 -4.953 1.00 0.00 C ATOM 285 O LEU A 16 -2.946 -1.414 -5.462 1.00 0.00 O ATOM 286 CB LEU A 16 -4.267 -1.814 -2.504 1.00 0.00 C ATOM 287 CG LEU A 16 -5.133 -1.255 -1.373 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.082 -2.169 -0.159 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.683 0.150 -1.002 1.00 0.00 C ATOM 0 H LEU A 16 -6.471 -2.588 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.826 -0.441 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.186 -2.894 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.261 -1.405 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.164 -1.206 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.704 -1.755 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.452 -3.157 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.053 -2.251 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.310 0.532 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.644 0.124 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.772 0.802 -1.871 1.00 0.00 H new ATOM 301 N LYS A 17 -4.013 -3.386 -5.268 1.00 0.00 N ATOM 302 CA LYS A 17 -3.173 -4.060 -6.251 1.00 0.00 C ATOM 303 C LYS A 17 -3.331 -3.409 -7.619 1.00 0.00 C ATOM 304 O LYS A 17 -2.348 -3.151 -8.314 1.00 0.00 O ATOM 305 CB LYS A 17 -3.531 -5.546 -6.336 1.00 0.00 C ATOM 306 CG LYS A 17 -2.555 -6.451 -5.602 1.00 0.00 C ATOM 307 CD LYS A 17 -3.117 -7.852 -5.427 1.00 0.00 C ATOM 308 CE LYS A 17 -2.142 -8.758 -4.689 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.559 -9.793 -5.587 1.00 0.00 N ATOM 0 H LYS A 17 -4.737 -3.975 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.134 -3.968 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.530 -5.694 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.570 -5.842 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.617 -6.501 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.327 -6.025 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.056 -7.802 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.343 -8.279 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.341 -8.156 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.655 -9.244 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.900 -10.390 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.321 -10.383 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.048 -9.329 -6.365 1.00 0.00 H new ATOM 323 N ARG A 18 -4.577 -3.140 -7.996 1.00 0.00 N ATOM 324 CA ARG A 18 -4.868 -2.512 -9.278 1.00 0.00 C ATOM 325 C ARG A 18 -4.213 -1.138 -9.361 1.00 0.00 C ATOM 326 O ARG A 18 -3.612 -0.785 -10.375 1.00 0.00 O ATOM 327 CB ARG A 18 -6.381 -2.388 -9.476 1.00 0.00 C ATOM 328 CG ARG A 18 -6.876 -3.003 -10.777 1.00 0.00 C ATOM 329 CD ARG A 18 -7.719 -4.244 -10.528 1.00 0.00 C ATOM 330 NE ARG A 18 -7.333 -5.352 -11.398 1.00 0.00 N ATOM 331 CZ ARG A 18 -7.728 -6.610 -11.217 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.518 -6.925 -10.197 1.00 0.00 N ATOM 333 NH2 ARG A 18 -7.332 -7.557 -12.057 1.00 0.00 N ATOM 0 H ARG A 18 -5.401 -3.347 -7.431 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.460 -3.139 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.889 -2.868 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.657 -1.334 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.464 -2.268 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.023 -3.262 -11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.617 -4.549 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.770 -4.006 -10.689 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.725 -5.150 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.825 -6.201 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.818 -7.891 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.725 -7.321 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.635 -8.521 -11.918 1.00 0.00 H new ATOM 347 N GLU A 19 -4.330 -0.369 -8.283 1.00 0.00 N ATOM 348 CA GLU A 19 -3.745 0.965 -8.230 1.00 0.00 C ATOM 349 C GLU A 19 -2.221 0.886 -8.282 1.00 0.00 C ATOM 350 O GLU A 19 -1.567 1.715 -8.916 1.00 0.00 O ATOM 351 CB GLU A 19 -4.191 1.691 -6.960 1.00 0.00 C ATOM 352 CG GLU A 19 -4.682 3.108 -7.210 1.00 0.00 C ATOM 353 CD GLU A 19 -3.551 4.074 -7.503 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.182 4.214 -8.688 1.00 0.00 O ATOM 355 OE2 GLU A 19 -3.035 4.691 -6.548 1.00 0.00 O ATOM 0 H GLU A 19 -4.824 -0.647 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.093 1.527 -9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.987 1.118 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.358 1.723 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.378 3.105 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.235 3.456 -6.338 1.00 0.00 H new ATOM 362 N PHE A 20 -1.664 -0.117 -7.612 1.00 0.00 N ATOM 363 CA PHE A 20 -0.220 -0.307 -7.581 1.00 0.00 C ATOM 364 C PHE A 20 0.318 -0.602 -8.978 1.00 0.00 C ATOM 365 O PHE A 20 1.388 -0.124 -9.355 1.00 0.00 O ATOM 366 CB PHE A 20 0.148 -1.446 -6.630 1.00 0.00 C ATOM 367 CG PHE A 20 1.629 -1.661 -6.496 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.366 -0.949 -5.563 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.284 -2.576 -7.305 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.729 -1.145 -5.439 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.646 -2.778 -7.186 1.00 0.00 C ATOM 372 CZ PHE A 20 4.369 -2.062 -6.252 1.00 0.00 C ATOM 0 H PHE A 20 -2.192 -0.811 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 20 0.235 0.616 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.271 -1.237 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.314 -2.368 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.870 -0.233 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.723 -3.138 -8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.292 -0.583 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.144 -3.495 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.433 -2.218 -6.157 1.00 0.00 H new ATOM 382 N ASN A 21 -0.433 -1.388 -9.744 1.00 0.00 N ATOM 383 CA ASN A 21 -0.030 -1.741 -11.101 1.00 0.00 C ATOM 384 C ASN A 21 0.058 -0.495 -11.978 1.00 0.00 C ATOM 385 O ASN A 21 0.839 -0.446 -12.928 1.00 0.00 O ATOM 386 CB ASN A 21 -1.016 -2.743 -11.706 1.00 0.00 C ATOM 387 CG ASN A 21 -0.317 -3.941 -12.319 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.721 -3.804 -12.967 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.882 -5.125 -12.113 1.00 0.00 N ATOM 0 H ASN A 21 -1.322 -1.792 -9.449 1.00 0.00 H new ATOM 0 HA ASN A 21 0.956 -2.202 -11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.705 -3.084 -10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.614 -2.245 -12.469 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.455 -5.968 -12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.743 -5.192 -11.570 1.00 0.00 H new ATOM 396 N GLU A 22 -0.745 0.511 -11.647 1.00 0.00 N ATOM 397 CA GLU A 22 -0.755 1.761 -12.399 1.00 0.00 C ATOM 398 C GLU A 22 0.369 2.675 -11.923 1.00 0.00 C ATOM 399 O GLU A 22 0.940 3.436 -12.704 1.00 0.00 O ATOM 400 CB GLU A 22 -2.101 2.466 -12.235 1.00 0.00 C ATOM 401 CG GLU A 22 -3.292 1.598 -12.609 1.00 0.00 C ATOM 402 CD GLU A 22 -4.525 2.414 -12.943 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.407 3.369 -13.740 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.609 2.099 -12.408 1.00 0.00 O ATOM 0 H GLU A 22 -1.397 0.485 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.601 1.531 -13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.209 2.789 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.109 3.364 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.029 0.976 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.519 0.924 -11.783 1.00 0.00 H new ATOM 411 N ASN A 23 0.680 2.586 -10.636 1.00 0.00 N ATOM 412 CA ASN A 23 1.737 3.395 -10.041 1.00 0.00 C ATOM 413 C ASN A 23 2.268 2.730 -8.776 1.00 0.00 C ATOM 414 O ASN A 23 1.505 2.404 -7.870 1.00 0.00 O ATOM 415 CB ASN A 23 1.218 4.797 -9.719 1.00 0.00 C ATOM 416 CG ASN A 23 2.305 5.850 -9.808 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.489 5.529 -9.908 1.00 0.00 O ATOM 418 ND2 ASN A 23 1.907 7.116 -9.775 1.00 0.00 N ATOM 0 H ASN A 23 0.213 1.959 -9.981 1.00 0.00 H new ATOM 0 HA ASN A 23 2.552 3.479 -10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.413 5.051 -10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.792 4.802 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.594 7.868 -9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.915 7.337 -9.691 1.00 0.00 H new ATOM 425 N ARG A 24 3.579 2.524 -8.727 1.00 0.00 N ATOM 426 CA ARG A 24 4.212 1.889 -7.575 1.00 0.00 C ATOM 427 C ARG A 24 4.260 2.825 -6.368 1.00 0.00 C ATOM 428 O ARG A 24 4.526 2.391 -5.248 1.00 0.00 O ATOM 429 CB ARG A 24 5.627 1.434 -7.937 1.00 0.00 C ATOM 430 CG ARG A 24 5.672 0.458 -9.102 1.00 0.00 C ATOM 431 CD ARG A 24 7.068 -0.110 -9.297 1.00 0.00 C ATOM 432 NE ARG A 24 8.077 0.942 -9.408 1.00 0.00 N ATOM 433 CZ ARG A 24 8.595 1.362 -10.562 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.205 0.831 -11.714 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.510 2.324 -10.562 1.00 0.00 N ATOM 0 H ARG A 24 4.225 2.787 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 24 3.609 1.023 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.229 2.309 -8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.084 0.967 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.968 -0.355 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.352 0.963 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.315 -0.762 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.086 -0.726 -10.196 1.00 0.00 H new ATOM 0 HE ARG A 24 8.405 1.382 -8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.501 0.093 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.609 1.161 -12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.814 2.739 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.909 2.648 -11.443 1.00 0.00 H new ATOM 449 N TYR A 25 4.003 4.111 -6.597 1.00 0.00 N ATOM 450 CA TYR A 25 4.022 5.097 -5.521 1.00 0.00 C ATOM 451 C TYR A 25 2.609 5.561 -5.185 1.00 0.00 C ATOM 452 O TYR A 25 1.630 5.011 -5.688 1.00 0.00 O ATOM 453 CB TYR A 25 4.884 6.297 -5.916 1.00 0.00 C ATOM 454 CG TYR A 25 6.234 5.918 -6.481 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.346 5.362 -7.750 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.397 6.121 -5.748 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.579 5.017 -8.271 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.633 5.780 -6.263 1.00 0.00 C ATOM 459 CZ TYR A 25 8.719 5.228 -7.525 1.00 0.00 C ATOM 460 OH TYR A 25 9.949 4.886 -8.043 1.00 0.00 O ATOM 0 H TYR A 25 3.780 4.493 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 25 4.451 4.625 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.346 6.892 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.031 6.931 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.455 5.197 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.334 6.552 -4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.649 4.584 -9.258 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.528 5.945 -5.681 1.00 0.00 H new ATOM 0 HH TYR A 25 10.649 5.100 -7.392 1.00 0.00 H new ATOM 470 N LEU A 26 2.509 6.578 -4.334 1.00 0.00 N ATOM 471 CA LEU A 26 1.211 7.112 -3.941 1.00 0.00 C ATOM 472 C LEU A 26 1.283 8.613 -3.689 1.00 0.00 C ATOM 473 O LEU A 26 2.200 9.102 -3.029 1.00 0.00 O ATOM 474 CB LEU A 26 0.700 6.420 -2.672 1.00 0.00 C ATOM 475 CG LEU A 26 -0.217 5.208 -2.872 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.906 4.863 -1.563 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.261 5.453 -3.956 1.00 0.00 C ATOM 0 H LEU A 26 3.308 7.046 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 26 0.523 6.922 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.563 6.101 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.164 7.157 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 26 0.405 4.374 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.557 4.001 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.156 4.627 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.501 5.714 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.888 4.568 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.881 6.306 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.761 5.661 -4.902 1.00 0.00 H new ATOM 489 N THR A 27 0.293 9.333 -4.198 1.00 0.00 N ATOM 490 CA THR A 27 0.219 10.774 -4.009 1.00 0.00 C ATOM 491 C THR A 27 -0.642 11.088 -2.792 1.00 0.00 C ATOM 492 O THR A 27 -1.356 10.219 -2.292 1.00 0.00 O ATOM 493 CB THR A 27 -0.372 11.444 -5.250 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.778 11.264 -5.293 1.00 0.00 O ATOM 495 CG2 THR A 27 0.198 10.912 -6.547 1.00 0.00 C ATOM 0 H THR A 27 -0.472 8.941 -4.747 1.00 0.00 H new ATOM 0 HA THR A 27 1.226 11.161 -3.850 1.00 0.00 H new ATOM 0 HB THR A 27 -0.109 12.498 -5.163 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.139 11.701 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.264 11.430 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.275 11.078 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.006 9.844 -6.623 1.00 0.00 H new ATOM 503 N GLU A 28 -0.588 12.328 -2.319 1.00 0.00 N ATOM 504 CA GLU A 28 -1.385 12.725 -1.166 1.00 0.00 C ATOM 505 C GLU A 28 -2.857 12.419 -1.417 1.00 0.00 C ATOM 506 O GLU A 28 -3.524 11.784 -0.600 1.00 0.00 O ATOM 507 CB GLU A 28 -1.200 14.216 -0.873 1.00 0.00 C ATOM 508 CG GLU A 28 -1.019 14.528 0.604 1.00 0.00 C ATOM 509 CD GLU A 28 -2.304 14.989 1.265 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.616 16.196 1.179 1.00 0.00 O ATOM 511 OE2 GLU A 28 -2.998 14.145 1.868 1.00 0.00 O ATOM 0 H GLU A 28 -0.007 13.068 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.047 12.157 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.332 14.581 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.066 14.762 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.650 13.640 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.259 15.301 0.718 1.00 0.00 H new ATOM 518 N ARG A 29 -3.349 12.873 -2.564 1.00 0.00 N ATOM 519 CA ARG A 29 -4.736 12.652 -2.950 1.00 0.00 C ATOM 520 C ARG A 29 -5.060 11.162 -3.040 1.00 0.00 C ATOM 521 O ARG A 29 -6.140 10.731 -2.636 1.00 0.00 O ATOM 522 CB ARG A 29 -5.024 13.329 -4.292 1.00 0.00 C ATOM 523 CG ARG A 29 -5.144 14.841 -4.195 1.00 0.00 C ATOM 524 CD ARG A 29 -6.590 15.293 -4.318 1.00 0.00 C ATOM 525 NE ARG A 29 -7.475 14.540 -3.432 1.00 0.00 N ATOM 526 CZ ARG A 29 -8.699 14.133 -3.766 1.00 0.00 C ATOM 527 NH1 ARG A 29 -9.201 14.409 -4.964 1.00 0.00 N ATOM 528 NH2 ARG A 29 -9.428 13.450 -2.894 1.00 0.00 N ATOM 0 H ARG A 29 -2.803 13.400 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.370 13.090 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.228 13.080 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.949 12.925 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.735 15.179 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.548 15.306 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.659 16.355 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.921 15.173 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.134 14.311 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.648 14.937 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.139 14.092 -5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.051 13.237 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.365 13.137 -3.147 1.00 0.00 H new ATOM 542 N ARG A 30 -4.126 10.380 -3.579 1.00 0.00 N ATOM 543 CA ARG A 30 -4.327 8.943 -3.726 1.00 0.00 C ATOM 544 C ARG A 30 -4.389 8.260 -2.365 1.00 0.00 C ATOM 545 O ARG A 30 -5.207 7.367 -2.144 1.00 0.00 O ATOM 546 CB ARG A 30 -3.206 8.334 -4.573 1.00 0.00 C ATOM 547 CG ARG A 30 -3.710 7.454 -5.706 1.00 0.00 C ATOM 548 CD ARG A 30 -4.566 8.241 -6.688 1.00 0.00 C ATOM 549 NE ARG A 30 -5.623 7.419 -7.274 1.00 0.00 N ATOM 550 CZ ARG A 30 -6.724 7.914 -7.836 1.00 0.00 C ATOM 551 NH1 ARG A 30 -6.916 9.226 -7.895 1.00 0.00 N ATOM 552 NH2 ARG A 30 -7.634 7.094 -8.343 1.00 0.00 N ATOM 0 H ARG A 30 -3.226 10.718 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.279 8.783 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.600 9.138 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.554 7.744 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.862 7.016 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.292 6.629 -5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.012 9.095 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.934 8.639 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.511 6.405 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.218 9.861 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.762 9.599 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.490 6.085 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.478 7.472 -8.774 1.00 0.00 H new ATOM 566 N ARG A 31 -3.523 8.690 -1.453 1.00 0.00 N ATOM 567 CA ARG A 31 -3.488 8.123 -0.112 1.00 0.00 C ATOM 568 C ARG A 31 -4.830 8.320 0.585 1.00 0.00 C ATOM 569 O ARG A 31 -5.446 7.363 1.055 1.00 0.00 O ATOM 570 CB ARG A 31 -2.368 8.772 0.707 1.00 0.00 C ATOM 571 CG ARG A 31 -1.404 7.772 1.324 1.00 0.00 C ATOM 572 CD ARG A 31 0.032 8.269 1.260 1.00 0.00 C ATOM 573 NE ARG A 31 0.168 9.621 1.797 1.00 0.00 N ATOM 574 CZ ARG A 31 0.353 9.893 3.088 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.417 8.914 3.981 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.471 11.153 3.489 1.00 0.00 N ATOM 0 H ARG A 31 -2.838 9.427 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.292 7.054 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.809 9.454 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.812 9.373 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.681 7.591 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.484 6.819 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.676 7.590 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.375 8.254 0.226 1.00 0.00 H new ATOM 0 HE ARG A 31 0.118 10.403 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.324 7.943 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.559 9.132 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.420 11.912 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.613 11.363 4.477 1.00 0.00 H new ATOM 590 N GLN A 32 -5.275 9.571 0.646 1.00 0.00 N ATOM 591 CA GLN A 32 -6.543 9.905 1.282 1.00 0.00 C ATOM 592 C GLN A 32 -7.721 9.339 0.493 1.00 0.00 C ATOM 593 O GLN A 32 -8.750 8.983 1.068 1.00 0.00 O ATOM 594 CB GLN A 32 -6.684 11.423 1.411 1.00 0.00 C ATOM 595 CG GLN A 32 -7.952 11.857 2.129 1.00 0.00 C ATOM 596 CD GLN A 32 -8.890 12.641 1.231 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.890 13.872 1.239 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.695 11.929 0.452 1.00 0.00 N ATOM 0 H GLN A 32 -4.774 10.372 0.261 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.550 9.457 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.820 11.816 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.670 11.867 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.470 10.976 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.686 12.467 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.660 10.910 0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.348 12.401 -0.173 1.00 0.00 H new ATOM 607 N GLN A 33 -7.565 9.259 -0.826 1.00 0.00 N ATOM 608 CA GLN A 33 -8.621 8.738 -1.686 1.00 0.00 C ATOM 609 C GLN A 33 -8.845 7.254 -1.432 1.00 0.00 C ATOM 610 O GLN A 33 -9.967 6.822 -1.171 1.00 0.00 O ATOM 611 CB GLN A 33 -8.271 8.961 -3.158 1.00 0.00 C ATOM 612 CG GLN A 33 -8.748 10.298 -3.702 1.00 0.00 C ATOM 613 CD GLN A 33 -9.814 10.146 -4.769 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.852 9.522 -4.544 1.00 0.00 O ATOM 615 NE2 GLN A 33 -9.563 10.716 -5.942 1.00 0.00 N ATOM 0 H GLN A 33 -6.720 9.547 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.540 9.276 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.190 8.894 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.709 8.159 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.142 10.900 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.899 10.841 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.690 11.224 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.243 10.646 -6.699 1.00 0.00 H new ATOM 624 N LEU A 34 -7.770 6.479 -1.507 1.00 0.00 N ATOM 625 CA LEU A 34 -7.852 5.041 -1.284 1.00 0.00 C ATOM 626 C LEU A 34 -8.274 4.741 0.149 1.00 0.00 C ATOM 627 O LEU A 34 -8.988 3.772 0.407 1.00 0.00 O ATOM 628 CB LEU A 34 -6.505 4.378 -1.582 1.00 0.00 C ATOM 629 CG LEU A 34 -6.207 4.153 -3.064 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.727 3.870 -3.274 1.00 0.00 C ATOM 631 CD2 LEU A 34 -7.055 3.012 -3.613 1.00 0.00 C ATOM 0 H LEU A 34 -6.833 6.821 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.604 4.634 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.712 4.994 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.470 3.416 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.463 5.062 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.534 3.712 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.141 4.718 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.445 2.976 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.829 2.866 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.832 2.097 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.111 3.256 -3.498 1.00 0.00 H new ATOM 643 N SER A 35 -7.833 5.584 1.076 1.00 0.00 N ATOM 644 CA SER A 35 -8.168 5.418 2.482 1.00 0.00 C ATOM 645 C SER A 35 -9.675 5.491 2.685 1.00 0.00 C ATOM 646 O SER A 35 -10.275 4.615 3.309 1.00 0.00 O ATOM 647 CB SER A 35 -7.475 6.496 3.317 1.00 0.00 C ATOM 648 OG SER A 35 -8.186 7.721 3.260 1.00 0.00 O ATOM 0 H SER A 35 -7.241 6.391 0.877 1.00 0.00 H new ATOM 0 HA SER A 35 -7.821 4.437 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.398 6.165 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.458 6.645 2.953 1.00 0.00 H new ATOM 0 HG SER A 35 -8.262 8.012 2.327 1.00 0.00 H new ATOM 654 N SER A 36 -10.274 6.550 2.155 1.00 0.00 N ATOM 655 CA SER A 36 -11.713 6.762 2.270 1.00 0.00 C ATOM 656 C SER A 36 -12.502 5.765 1.421 1.00 0.00 C ATOM 657 O SER A 36 -13.523 5.233 1.860 1.00 0.00 O ATOM 658 CB SER A 36 -12.072 8.192 1.859 1.00 0.00 C ATOM 659 OG SER A 36 -13.022 8.757 2.748 1.00 0.00 O ATOM 0 H SER A 36 -9.783 7.280 1.638 1.00 0.00 H new ATOM 0 HA SER A 36 -11.985 6.604 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.172 8.806 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.473 8.192 0.845 1.00 0.00 H new ATOM 0 HG SER A 36 -13.233 9.671 2.464 1.00 0.00 H new ATOM 665 N GLU A 37 -12.036 5.530 0.197 1.00 0.00 N ATOM 666 CA GLU A 37 -12.713 4.615 -0.720 1.00 0.00 C ATOM 667 C GLU A 37 -12.741 3.189 -0.175 1.00 0.00 C ATOM 668 O GLU A 37 -13.773 2.521 -0.221 1.00 0.00 O ATOM 669 CB GLU A 37 -12.033 4.635 -2.092 1.00 0.00 C ATOM 670 CG GLU A 37 -13.003 4.808 -3.249 1.00 0.00 C ATOM 671 CD GLU A 37 -12.961 6.204 -3.842 1.00 0.00 C ATOM 672 OE1 GLU A 37 -11.915 6.573 -4.416 1.00 0.00 O ATOM 673 OE2 GLU A 37 -13.973 6.927 -3.731 1.00 0.00 O ATOM 0 H GLU A 37 -11.193 5.960 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.743 4.957 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.304 5.445 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.480 3.705 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.769 4.080 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.015 4.594 -2.905 1.00 0.00 H new ATOM 680 N LEU A 38 -11.605 2.724 0.332 1.00 0.00 N ATOM 681 CA LEU A 38 -11.515 1.372 0.873 1.00 0.00 C ATOM 682 C LEU A 38 -11.966 1.333 2.329 1.00 0.00 C ATOM 683 O LEU A 38 -12.878 0.588 2.685 1.00 0.00 O ATOM 684 CB LEU A 38 -10.083 0.847 0.754 1.00 0.00 C ATOM 685 CG LEU A 38 -9.713 0.287 -0.621 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.273 -0.203 -0.628 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.664 -0.836 -1.011 1.00 0.00 C ATOM 0 H LEU A 38 -10.738 3.259 0.380 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.179 0.732 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.394 1.656 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.935 0.066 1.500 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.805 1.087 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.028 -0.598 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.605 0.626 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.152 -0.989 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.387 -1.223 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.603 -1.637 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.684 -0.453 -1.047 1.00 0.00 H new ATOM 699 N GLY A 39 -11.324 2.140 3.166 1.00 0.00 N ATOM 700 CA GLY A 39 -11.677 2.179 4.573 1.00 0.00 C ATOM 701 C GLY A 39 -10.498 1.867 5.475 1.00 0.00 C ATOM 702 O GLY A 39 -10.623 1.100 6.429 1.00 0.00 O ATOM 0 H GLY A 39 -10.566 2.767 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.068 3.166 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.476 1.463 4.764 1.00 0.00 H new ATOM 706 N LEU A 40 -9.351 2.465 5.170 1.00 0.00 N ATOM 707 CA LEU A 40 -8.144 2.248 5.960 1.00 0.00 C ATOM 708 C LEU A 40 -7.457 3.572 6.271 1.00 0.00 C ATOM 709 O LEU A 40 -7.853 4.620 5.764 1.00 0.00 O ATOM 710 CB LEU A 40 -7.178 1.324 5.215 1.00 0.00 C ATOM 711 CG LEU A 40 -7.762 -0.034 4.810 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.985 -0.094 3.306 1.00 0.00 C ATOM 713 CD2 LEU A 40 -6.847 -1.165 5.258 1.00 0.00 C ATOM 0 H LEU A 40 -9.232 3.103 4.383 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.434 1.777 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.830 1.835 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.304 1.154 5.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.725 -0.153 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.400 -1.066 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.680 0.692 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.035 0.049 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.278 -2.121 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.869 -1.048 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.738 -1.137 6.342 1.00 0.00 H new ATOM 725 N ASN A 41 -6.425 3.519 7.106 1.00 0.00 N ATOM 726 CA ASN A 41 -5.683 4.718 7.479 1.00 0.00 C ATOM 727 C ASN A 41 -4.640 5.060 6.420 1.00 0.00 C ATOM 728 O ASN A 41 -4.035 4.170 5.821 1.00 0.00 O ATOM 729 CB ASN A 41 -5.007 4.525 8.837 1.00 0.00 C ATOM 730 CG ASN A 41 -4.976 5.803 9.652 1.00 0.00 C ATOM 731 OD1 ASN A 41 -3.911 6.266 10.062 1.00 0.00 O ATOM 732 ND2 ASN A 41 -6.147 6.381 9.891 1.00 0.00 N ATOM 0 H ASN A 41 -6.084 2.660 7.537 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.389 5.546 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.535 3.753 9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.988 4.169 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.189 7.244 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.005 5.963 9.532 1.00 0.00 H new ATOM 739 N GLU A 42 -4.431 6.354 6.194 1.00 0.00 N ATOM 740 CA GLU A 42 -3.457 6.811 5.206 1.00 0.00 C ATOM 741 C GLU A 42 -2.098 6.156 5.437 1.00 0.00 C ATOM 742 O GLU A 42 -1.424 5.750 4.491 1.00 0.00 O ATOM 743 CB GLU A 42 -3.319 8.334 5.264 1.00 0.00 C ATOM 744 CG GLU A 42 -4.477 9.074 4.614 1.00 0.00 C ATOM 745 CD GLU A 42 -4.255 10.573 4.564 1.00 0.00 C ATOM 746 OE1 GLU A 42 -3.089 10.996 4.422 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.248 11.324 4.667 1.00 0.00 O ATOM 0 H GLU A 42 -4.922 7.104 6.681 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.815 6.522 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.239 8.644 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.391 8.626 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.621 8.698 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.393 8.864 5.166 1.00 0.00 H new ATOM 754 N ALA A 43 -1.707 6.054 6.702 1.00 0.00 N ATOM 755 CA ALA A 43 -0.433 5.445 7.063 1.00 0.00 C ATOM 756 C ALA A 43 -0.409 3.966 6.693 1.00 0.00 C ATOM 757 O ALA A 43 0.637 3.419 6.344 1.00 0.00 O ATOM 758 CB ALA A 43 -0.166 5.622 8.550 1.00 0.00 C ATOM 0 H ALA A 43 -2.255 6.386 7.496 1.00 0.00 H new ATOM 0 HA ALA A 43 0.354 5.947 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.789 5.162 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.133 6.685 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.962 5.146 9.122 1.00 0.00 H new ATOM 764 N GLN A 44 -1.570 3.324 6.773 1.00 0.00 N ATOM 765 CA GLN A 44 -1.680 1.907 6.449 1.00 0.00 C ATOM 766 C GLN A 44 -1.492 1.682 4.955 1.00 0.00 C ATOM 767 O GLN A 44 -0.789 0.760 4.542 1.00 0.00 O ATOM 768 CB GLN A 44 -3.039 1.363 6.894 1.00 0.00 C ATOM 769 CG GLN A 44 -3.222 1.345 8.403 1.00 0.00 C ATOM 770 CD GLN A 44 -3.885 0.073 8.896 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.159 -0.841 8.118 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.148 0.009 10.196 1.00 0.00 N ATOM 0 H GLN A 44 -2.446 3.762 7.059 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.894 1.373 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.828 1.969 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.159 0.350 6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.250 1.454 8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.824 2.203 8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.904 0.790 10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.594 -0.821 10.586 1.00 0.00 H new ATOM 781 N ILE A 45 -2.110 2.536 4.148 1.00 0.00 N ATOM 782 CA ILE A 45 -1.992 2.430 2.701 1.00 0.00 C ATOM 783 C ILE A 45 -0.569 2.746 2.262 1.00 0.00 C ATOM 784 O ILE A 45 -0.012 2.079 1.390 1.00 0.00 O ATOM 785 CB ILE A 45 -2.965 3.380 1.978 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.380 3.224 2.538 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.949 3.113 0.480 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.072 4.542 2.803 1.00 0.00 C ATOM 0 H ILE A 45 -2.696 3.306 4.470 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.246 1.405 2.431 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.641 4.406 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.978 2.643 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.334 2.654 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.641 3.792 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.943 3.273 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.251 2.083 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.070 4.356 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.496 5.116 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.150 5.106 1.873 1.00 0.00 H new ATOM 800 N LYS A 46 0.020 3.763 2.885 1.00 0.00 N ATOM 801 CA LYS A 46 1.384 4.165 2.573 1.00 0.00 C ATOM 802 C LYS A 46 2.345 3.007 2.806 1.00 0.00 C ATOM 803 O LYS A 46 3.205 2.721 1.973 1.00 0.00 O ATOM 804 CB LYS A 46 1.796 5.366 3.427 1.00 0.00 C ATOM 805 CG LYS A 46 3.151 5.944 3.049 1.00 0.00 C ATOM 806 CD LYS A 46 4.086 6.013 4.247 1.00 0.00 C ATOM 807 CE LYS A 46 5.412 6.659 3.881 1.00 0.00 C ATOM 808 NZ LYS A 46 6.329 6.746 5.052 1.00 0.00 N ATOM 0 H LYS A 46 -0.429 4.323 3.610 1.00 0.00 H new ATOM 0 HA LYS A 46 1.426 4.451 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.039 6.145 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.817 5.066 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.603 5.332 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.018 6.943 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.612 6.581 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.263 5.008 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.890 6.084 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.232 7.659 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.222 7.192 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.884 7.316 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.521 5.790 5.414 1.00 0.00 H new ATOM 822 N ILE A 47 2.187 2.335 3.943 1.00 0.00 N ATOM 823 CA ILE A 47 3.034 1.201 4.280 1.00 0.00 C ATOM 824 C ILE A 47 2.807 0.052 3.303 1.00 0.00 C ATOM 825 O ILE A 47 3.750 -0.626 2.899 1.00 0.00 O ATOM 826 CB ILE A 47 2.774 0.704 5.717 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.990 1.839 6.719 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.677 -0.477 6.048 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.130 1.721 7.958 1.00 0.00 C ATOM 0 H ILE A 47 1.480 2.558 4.644 1.00 0.00 H new ATOM 0 HA ILE A 47 4.067 1.541 4.212 1.00 0.00 H new ATOM 0 HB ILE A 47 1.738 0.372 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.039 1.857 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.780 2.790 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.478 -0.813 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.480 -1.292 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.720 -0.172 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.335 2.559 8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.078 1.733 7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.356 0.786 8.470 1.00 0.00 H new ATOM 841 N TRP A 48 1.550 -0.157 2.925 1.00 0.00 N ATOM 842 CA TRP A 48 1.200 -1.224 1.995 1.00 0.00 C ATOM 843 C TRP A 48 1.897 -1.028 0.655 1.00 0.00 C ATOM 844 O TRP A 48 2.470 -1.965 0.099 1.00 0.00 O ATOM 845 CB TRP A 48 -0.315 -1.278 1.787 1.00 0.00 C ATOM 846 CG TRP A 48 -0.749 -2.421 0.923 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.102 -3.672 1.339 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.870 -2.423 -0.506 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.435 -4.452 0.258 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.301 -3.709 -0.885 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.655 -1.463 -1.501 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.521 -4.059 -2.214 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.875 -1.813 -2.821 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.304 -3.100 -3.166 1.00 0.00 C ATOM 0 H TRP A 48 0.758 0.398 3.248 1.00 0.00 H new ATOM 0 HA TRP A 48 1.534 -2.167 2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.806 -1.357 2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.647 -0.343 1.336 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.117 -4.001 2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.734 -5.426 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.324 -0.468 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.851 -5.051 -2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.713 -1.081 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.467 -3.341 -4.206 1.00 0.00 H new ATOM 865 N PHE A 49 1.845 0.195 0.139 1.00 0.00 N ATOM 866 CA PHE A 49 2.475 0.511 -1.135 1.00 0.00 C ATOM 867 C PHE A 49 3.988 0.336 -1.046 1.00 0.00 C ATOM 868 O PHE A 49 4.605 -0.280 -1.914 1.00 0.00 O ATOM 869 CB PHE A 49 2.134 1.943 -1.556 1.00 0.00 C ATOM 870 CG PHE A 49 1.080 2.017 -2.623 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.250 1.767 -2.322 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.419 2.339 -3.927 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.221 1.836 -3.303 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.451 2.409 -4.910 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.870 2.157 -4.598 1.00 0.00 C ATOM 0 H PHE A 49 1.373 0.982 0.584 1.00 0.00 H new ATOM 0 HA PHE A 49 2.091 -0.178 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.795 2.500 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.039 2.433 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.530 1.516 -1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.451 2.537 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.254 1.639 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.728 2.661 -5.923 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.627 2.211 -5.366 1.00 0.00 H new ATOM 885 N GLN A 50 4.578 0.881 0.014 1.00 0.00 N ATOM 886 CA GLN A 50 6.016 0.782 0.221 1.00 0.00 C ATOM 887 C GLN A 50 6.441 -0.672 0.406 1.00 0.00 C ATOM 888 O GLN A 50 7.484 -1.092 -0.095 1.00 0.00 O ATOM 889 CB GLN A 50 6.434 1.607 1.440 1.00 0.00 C ATOM 890 CG GLN A 50 7.939 1.664 1.649 1.00 0.00 C ATOM 891 CD GLN A 50 8.333 2.582 2.790 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.255 3.805 2.676 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.762 1.993 3.901 1.00 0.00 N ATOM 0 H GLN A 50 4.081 1.395 0.742 1.00 0.00 H new ATOM 0 HA GLN A 50 6.514 1.177 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.052 2.622 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.968 1.186 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.313 0.660 1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.417 2.005 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.811 0.975 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.042 2.558 4.702 1.00 0.00 H new ATOM 902 N ASN A 51 5.625 -1.436 1.126 1.00 0.00 N ATOM 903 CA ASN A 51 5.918 -2.844 1.373 1.00 0.00 C ATOM 904 C ASN A 51 5.827 -3.654 0.083 1.00 0.00 C ATOM 905 O ASN A 51 6.576 -4.610 -0.114 1.00 0.00 O ATOM 906 CB ASN A 51 4.954 -3.415 2.417 1.00 0.00 C ATOM 907 CG ASN A 51 5.630 -4.398 3.352 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.384 -5.269 2.919 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.362 -4.263 4.646 1.00 0.00 N ATOM 0 H ASN A 51 4.757 -1.105 1.548 1.00 0.00 H new ATOM 0 HA ASN A 51 6.937 -2.914 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.528 -2.598 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.126 -3.911 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.787 -4.896 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.731 -3.527 4.962 1.00 0.00 H new ATOM 916 N LYS A 52 4.906 -3.263 -0.792 1.00 0.00 N ATOM 917 CA LYS A 52 4.721 -3.952 -2.064 1.00 0.00 C ATOM 918 C LYS A 52 5.946 -3.775 -2.955 1.00 0.00 C ATOM 919 O LYS A 52 6.410 -4.724 -3.587 1.00 0.00 O ATOM 920 CB LYS A 52 3.471 -3.426 -2.776 1.00 0.00 C ATOM 921 CG LYS A 52 2.454 -4.511 -3.098 1.00 0.00 C ATOM 922 CD LYS A 52 1.906 -4.368 -4.511 1.00 0.00 C ATOM 923 CE LYS A 52 2.014 -5.672 -5.286 1.00 0.00 C ATOM 924 NZ LYS A 52 1.031 -6.684 -4.810 1.00 0.00 N ATOM 0 H LYS A 52 4.277 -2.474 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 52 4.591 -5.015 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.997 -2.669 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.770 -2.933 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.919 -5.490 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.633 -4.464 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.863 -4.055 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.452 -3.585 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.851 -5.479 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.023 -6.071 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.067 -7.520 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.264 -6.963 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.074 -6.277 -4.834 1.00 0.00 H new ATOM 938 N ARG A 53 6.465 -2.554 -2.997 1.00 0.00 N ATOM 939 CA ARG A 53 7.638 -2.247 -3.806 1.00 0.00 C ATOM 940 C ARG A 53 8.881 -2.922 -3.230 1.00 0.00 C ATOM 941 O ARG A 53 9.807 -3.271 -3.962 1.00 0.00 O ATOM 942 CB ARG A 53 7.849 -0.734 -3.874 1.00 0.00 C ATOM 943 CG ARG A 53 7.645 -0.150 -5.262 1.00 0.00 C ATOM 944 CD ARG A 53 8.585 1.019 -5.517 1.00 0.00 C ATOM 945 NE ARG A 53 9.579 0.709 -6.543 1.00 0.00 N ATOM 946 CZ ARG A 53 10.814 1.208 -6.558 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.217 2.043 -5.607 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.652 0.870 -7.530 1.00 0.00 N ATOM 0 H ARG A 53 6.091 -1.759 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 53 7.471 -2.629 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.162 -0.249 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.859 -0.501 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.812 -0.923 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.612 0.181 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.006 1.889 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.092 1.285 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 53 9.311 0.072 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.579 2.307 -4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.165 2.420 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.350 0.229 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.598 1.251 -7.543 1.00 0.00 H new