USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 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 Set 1.1: A 52 GLN : amide:sc= 0.0403 K(o=0.01,f=-1.1) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.0299 K(o=0.01,f=-1.4) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.13) USER MOD Single : A 42 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.1!) USER MOD Single : A 44 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 45 ASN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.105 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.631 K(o=0.63,f=0) USER MOD Single : A 71 MET CE :methyl -179:sc= -0.563 (180deg=-0.567) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 1.33 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.465 7.097 -13.827 1.00 0.00 N ATOM 205 CA GLU A 14 5.013 7.061 -13.674 1.00 0.00 C ATOM 206 C GLU A 14 4.491 8.307 -12.959 1.00 0.00 C ATOM 207 O GLU A 14 3.490 8.897 -13.361 1.00 0.00 O ATOM 208 CB GLU A 14 4.590 5.795 -12.918 1.00 0.00 C ATOM 209 CG GLU A 14 4.946 4.512 -13.681 1.00 0.00 C ATOM 210 CD GLU A 14 4.479 3.278 -12.917 1.00 0.00 C ATOM 211 OE1 GLU A 14 5.083 3.016 -11.856 1.00 0.00 O ATOM 212 OE2 GLU A 14 3.527 2.629 -13.400 1.00 0.00 O ATOM 0 HA GLU A 14 4.574 7.044 -14.671 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.074 5.780 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.515 5.823 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.483 4.531 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.024 4.463 -13.835 1.00 0.00 H new ATOM 219 N ALA A 15 5.187 8.711 -11.896 1.00 0.00 N ATOM 220 CA ALA A 15 4.837 9.882 -11.103 1.00 0.00 C ATOM 221 C ALA A 15 5.113 11.168 -11.872 1.00 0.00 C ATOM 222 O ALA A 15 4.441 12.171 -11.645 1.00 0.00 O ATOM 223 CB ALA A 15 5.612 9.889 -9.789 1.00 0.00 C ATOM 0 H ALA A 15 6.019 8.226 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 15 3.770 9.830 -10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.338 10.771 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.371 8.991 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.682 9.910 -9.998 1.00 0.00 H new ATOM 229 N VAL A 16 6.088 11.141 -12.787 1.00 0.00 N ATOM 230 CA VAL A 16 6.424 12.296 -13.614 1.00 0.00 C ATOM 231 C VAL A 16 5.355 12.407 -14.688 1.00 0.00 C ATOM 232 O VAL A 16 5.006 13.513 -15.087 1.00 0.00 O ATOM 233 CB VAL A 16 7.848 12.219 -14.202 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.977 12.446 -15.713 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.775 13.211 -13.533 1.00 0.00 C ATOM 0 H VAL A 16 6.663 10.319 -12.972 1.00 0.00 H new ATOM 0 HA VAL A 16 6.436 13.198 -13.002 1.00 0.00 H new ATOM 0 HB VAL A 16 8.123 11.183 -14.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.024 12.367 -16.005 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.394 11.694 -16.245 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.604 13.439 -15.965 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.770 13.131 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.394 14.222 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.829 12.996 -12.466 1.00 0.00 H new ATOM 245 N GLN A 17 4.825 11.266 -15.141 1.00 0.00 N ATOM 246 CA GLN A 17 3.772 11.263 -16.140 1.00 0.00 C ATOM 247 C GLN A 17 2.512 11.822 -15.494 1.00 0.00 C ATOM 248 O GLN A 17 1.866 12.701 -16.064 1.00 0.00 O ATOM 249 CB GLN A 17 3.548 9.852 -16.716 1.00 0.00 C ATOM 250 CG GLN A 17 2.758 9.931 -18.030 1.00 0.00 C ATOM 251 CD GLN A 17 2.537 8.556 -18.659 1.00 0.00 C ATOM 252 OE1 GLN A 17 2.295 7.583 -17.950 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.617 8.469 -19.986 1.00 0.00 N ATOM 0 H GLN A 17 5.113 10.339 -14.827 1.00 0.00 H new ATOM 0 HA GLN A 17 4.056 11.889 -16.986 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.508 9.366 -16.890 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.007 9.239 -15.995 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.793 10.402 -17.843 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.292 10.568 -18.735 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.820 9.301 -20.540 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.475 7.571 -20.448 1.00 0.00 H new ATOM 262 N LYS A 18 2.190 11.321 -14.294 1.00 0.00 N ATOM 263 CA LYS A 18 1.034 11.762 -13.525 1.00 0.00 C ATOM 264 C LYS A 18 1.111 13.274 -13.321 1.00 0.00 C ATOM 265 O LYS A 18 0.156 13.984 -13.603 1.00 0.00 O ATOM 266 CB LYS A 18 0.999 11.041 -12.169 1.00 0.00 C ATOM 267 CG LYS A 18 0.638 9.551 -12.293 1.00 0.00 C ATOM 268 CD LYS A 18 -0.832 9.269 -11.946 1.00 0.00 C ATOM 269 CE LYS A 18 -1.073 9.304 -10.428 1.00 0.00 C ATOM 270 NZ LYS A 18 -2.467 8.963 -10.085 1.00 0.00 N ATOM 0 H LYS A 18 2.734 10.592 -13.832 1.00 0.00 H new ATOM 0 HA LYS A 18 0.121 11.520 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.973 11.135 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.274 11.533 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.838 9.216 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.281 8.969 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.469 10.007 -12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.118 8.293 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.397 8.605 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.837 10.297 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.589 8.998 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.112 9.645 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.684 8.005 -10.427 1.00 0.00 H new ATOM 284 N PHE A 19 2.263 13.744 -12.835 1.00 0.00 N ATOM 285 CA PHE A 19 2.579 15.138 -12.560 1.00 0.00 C ATOM 286 C PHE A 19 2.494 16.012 -13.813 1.00 0.00 C ATOM 287 O PHE A 19 1.793 17.021 -13.803 1.00 0.00 O ATOM 288 CB PHE A 19 3.982 15.152 -11.938 1.00 0.00 C ATOM 289 CG PHE A 19 4.800 16.426 -11.918 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.213 17.708 -11.942 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.201 16.303 -11.863 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.024 18.853 -11.927 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.009 17.446 -11.841 1.00 0.00 C ATOM 294 CZ PHE A 19 6.419 18.719 -11.880 1.00 0.00 C ATOM 0 H PHE A 19 3.040 13.122 -12.612 1.00 0.00 H new ATOM 0 HA PHE A 19 1.849 15.568 -11.874 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.880 14.819 -10.905 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.573 14.398 -12.459 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.138 17.809 -11.972 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.654 15.323 -11.838 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.575 19.835 -11.952 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.084 17.349 -11.794 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.043 19.600 -11.874 1.00 0.00 H new ATOM 304 N PHE A 20 3.205 15.636 -14.881 1.00 0.00 N ATOM 305 CA PHE A 20 3.229 16.383 -16.138 1.00 0.00 C ATOM 306 C PHE A 20 1.784 16.707 -16.538 1.00 0.00 C ATOM 307 O PHE A 20 1.429 17.858 -16.796 1.00 0.00 O ATOM 308 CB PHE A 20 3.944 15.546 -17.211 1.00 0.00 C ATOM 309 CG PHE A 20 3.973 16.120 -18.611 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.402 17.443 -18.828 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.584 15.321 -19.704 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.444 17.962 -20.131 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.631 15.843 -21.007 1.00 0.00 C ATOM 314 CZ PHE A 20 4.065 17.159 -21.219 1.00 0.00 C ATOM 0 H PHE A 20 3.784 14.797 -14.895 1.00 0.00 H new ATOM 0 HA PHE A 20 3.776 17.319 -16.028 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.972 15.385 -16.888 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.466 14.567 -17.254 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.699 18.059 -17.992 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.250 14.307 -19.540 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.768 18.979 -20.297 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.333 15.231 -21.845 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.108 17.557 -22.222 1.00 0.00 H new ATOM 324 N LEU A 21 0.948 15.666 -16.537 1.00 0.00 N ATOM 325 CA LEU A 21 -0.475 15.739 -16.828 1.00 0.00 C ATOM 326 C LEU A 21 -1.220 16.551 -15.773 1.00 0.00 C ATOM 327 O LEU A 21 -2.072 17.359 -16.125 1.00 0.00 O ATOM 328 CB LEU A 21 -1.038 14.304 -16.856 1.00 0.00 C ATOM 329 CG LEU A 21 -1.311 13.703 -18.243 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.493 12.189 -18.067 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.591 14.362 -18.770 1.00 0.00 C ATOM 0 H LEU A 21 1.260 14.718 -16.325 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.613 16.233 -17.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.338 13.652 -16.333 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.969 14.291 -16.289 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.499 13.876 -18.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.689 11.731 -19.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.586 11.761 -17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.333 11.999 -17.399 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.825 13.964 -19.757 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.416 14.151 -18.089 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.444 15.440 -18.839 1.00 0.00 H new ATOM 343 N GLU A 22 -0.921 16.350 -14.488 1.00 0.00 N ATOM 344 CA GLU A 22 -1.580 17.080 -13.414 1.00 0.00 C ATOM 345 C GLU A 22 -1.413 18.583 -13.624 1.00 0.00 C ATOM 346 O GLU A 22 -2.320 19.342 -13.303 1.00 0.00 O ATOM 347 CB GLU A 22 -1.035 16.649 -12.041 1.00 0.00 C ATOM 348 CG GLU A 22 -1.818 17.260 -10.874 1.00 0.00 C ATOM 349 CD GLU A 22 -1.299 16.716 -9.547 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.234 17.206 -9.114 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.963 15.807 -9.003 1.00 0.00 O ATOM 0 H GLU A 22 -0.220 15.681 -14.169 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.644 16.844 -13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.069 15.562 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.012 16.941 -11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.723 18.346 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.879 17.031 -10.979 1.00 0.00 H new ATOM 358 N GLU A 23 -0.266 19.009 -14.165 1.00 0.00 N ATOM 359 CA GLU A 23 0.049 20.405 -14.402 1.00 0.00 C ATOM 360 C GLU A 23 -0.608 20.871 -15.700 1.00 0.00 C ATOM 361 O GLU A 23 -1.133 21.980 -15.755 1.00 0.00 O ATOM 362 CB GLU A 23 1.568 20.599 -14.362 1.00 0.00 C ATOM 363 CG GLU A 23 1.898 22.085 -14.234 1.00 0.00 C ATOM 364 CD GLU A 23 3.314 22.288 -13.719 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.206 21.554 -14.196 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.468 23.162 -12.837 1.00 0.00 O ATOM 0 H GLU A 23 0.478 18.373 -14.453 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.362 21.038 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.992 20.050 -13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.019 20.194 -15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.787 22.570 -15.204 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.189 22.561 -13.556 1.00 0.00 H new ATOM 373 N ILE A 24 -0.605 20.012 -16.730 1.00 0.00 N ATOM 374 CA ILE A 24 -1.252 20.309 -18.016 1.00 0.00 C ATOM 375 C ILE A 24 -2.739 20.622 -17.730 1.00 0.00 C ATOM 376 O ILE A 24 -3.289 21.634 -18.185 1.00 0.00 O ATOM 377 CB ILE A 24 -0.994 19.186 -19.086 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.348 19.675 -20.413 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.241 18.354 -19.433 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.361 18.587 -21.475 1.00 0.00 C ATOM 0 H ILE A 24 -0.156 19.097 -16.695 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.811 21.189 -18.484 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.271 18.555 -18.570 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.886 20.549 -20.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.679 19.989 -20.225 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.981 17.601 -20.177 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.612 17.862 -18.534 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.015 19.008 -19.834 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.098 18.965 -22.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.199 17.723 -21.118 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.390 18.292 -21.681 1.00 0.00 H new ATOM 392 N GLN A 25 -3.376 19.745 -16.942 1.00 0.00 N ATOM 393 CA GLN A 25 -4.781 19.855 -16.567 1.00 0.00 C ATOM 394 C GLN A 25 -5.018 21.003 -15.593 1.00 0.00 C ATOM 395 O GLN A 25 -5.918 21.807 -15.812 1.00 0.00 O ATOM 396 CB GLN A 25 -5.307 18.520 -15.996 1.00 0.00 C ATOM 397 CG GLN A 25 -5.272 17.312 -16.954 1.00 0.00 C ATOM 398 CD GLN A 25 -6.021 16.117 -16.374 1.00 0.00 C ATOM 399 OE1 GLN A 25 -7.078 15.739 -16.873 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.471 15.507 -15.325 1.00 0.00 N ATOM 0 H GLN A 25 -2.916 18.927 -16.543 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.344 20.080 -17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.723 18.272 -15.110 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.336 18.669 -15.668 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.715 17.591 -17.910 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.237 17.033 -17.152 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.592 15.851 -14.938 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.929 14.696 -14.908 1.00 0.00 H new ATOM 409 N LEU A 26 -4.217 21.082 -14.528 1.00 0.00 N ATOM 410 CA LEU A 26 -4.320 22.134 -13.511 1.00 0.00 C ATOM 411 C LEU A 26 -4.253 23.501 -14.186 1.00 0.00 C ATOM 412 O LEU A 26 -5.077 24.362 -13.891 1.00 0.00 O ATOM 413 CB LEU A 26 -3.273 21.919 -12.404 1.00 0.00 C ATOM 414 CG LEU A 26 -3.056 22.978 -11.319 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.513 24.315 -11.822 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.320 23.176 -10.499 1.00 0.00 C ATOM 0 H LEU A 26 -3.471 20.411 -14.344 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.285 22.087 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.528 20.988 -11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.313 21.762 -12.896 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.267 22.577 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.393 24.998 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.547 24.158 -12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.211 24.744 -12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.143 23.932 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.130 23.502 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.595 22.235 -10.022 1.00 0.00 H new ATOM 428 N GLY A 27 -3.301 23.706 -15.105 1.00 0.00 N ATOM 429 CA GLY A 27 -3.184 24.963 -15.832 1.00 0.00 C ATOM 430 C GLY A 27 -4.461 25.199 -16.616 1.00 0.00 C ATOM 431 O GLY A 27 -5.162 26.167 -16.328 1.00 0.00 O ATOM 0 H GLY A 27 -2.600 23.010 -15.359 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.011 25.785 -15.138 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.328 24.930 -16.507 1.00 0.00 H new ATOM 435 N GLU A 28 -4.789 24.330 -17.582 1.00 0.00 N ATOM 436 CA GLU A 28 -6.025 24.522 -18.344 1.00 0.00 C ATOM 437 C GLU A 28 -7.271 24.750 -17.465 1.00 0.00 C ATOM 438 O GLU A 28 -8.169 25.492 -17.855 1.00 0.00 O ATOM 439 CB GLU A 28 -6.181 23.411 -19.385 1.00 0.00 C ATOM 440 CG GLU A 28 -5.086 23.555 -20.460 1.00 0.00 C ATOM 441 CD GLU A 28 -5.292 24.780 -21.346 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.317 24.791 -22.064 1.00 0.00 O ATOM 443 OE2 GLU A 28 -4.428 25.682 -21.290 1.00 0.00 O ATOM 0 H GLU A 28 -4.236 23.515 -17.846 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.937 25.462 -18.888 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.108 22.435 -18.905 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.167 23.466 -19.846 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.112 23.622 -19.975 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.072 22.660 -21.082 1.00 0.00 H new ATOM 450 N GLU A 29 -7.317 24.156 -16.267 1.00 0.00 N ATOM 451 CA GLU A 29 -8.407 24.331 -15.308 1.00 0.00 C ATOM 452 C GLU A 29 -8.346 25.725 -14.676 1.00 0.00 C ATOM 453 O GLU A 29 -9.369 26.397 -14.575 1.00 0.00 O ATOM 454 CB GLU A 29 -8.396 23.216 -14.255 1.00 0.00 C ATOM 455 CG GLU A 29 -9.362 23.496 -13.098 1.00 0.00 C ATOM 456 CD GLU A 29 -9.460 22.304 -12.155 1.00 0.00 C ATOM 457 OE1 GLU A 29 -8.401 21.928 -11.608 1.00 0.00 O ATOM 458 OE2 GLU A 29 -10.589 21.794 -11.994 1.00 0.00 O ATOM 0 H GLU A 29 -6.584 23.530 -15.934 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.356 24.255 -15.839 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.664 22.271 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.386 23.101 -13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.025 24.373 -12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.350 23.730 -13.495 1.00 0.00 H new ATOM 465 N LEU A 30 -7.169 26.194 -14.253 1.00 0.00 N ATOM 466 CA LEU A 30 -7.040 27.530 -13.681 1.00 0.00 C ATOM 467 C LEU A 30 -7.444 28.556 -14.734 1.00 0.00 C ATOM 468 O LEU A 30 -8.123 29.533 -14.425 1.00 0.00 O ATOM 469 CB LEU A 30 -5.607 27.785 -13.178 1.00 0.00 C ATOM 470 CG LEU A 30 -5.331 27.463 -11.697 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.865 27.793 -11.398 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.192 28.305 -10.741 1.00 0.00 C ATOM 0 H LEU A 30 -6.296 25.668 -14.297 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.699 27.618 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.921 27.197 -13.788 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.367 28.834 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.567 26.410 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.648 27.572 -10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.219 27.192 -12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.684 28.850 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.958 28.038 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.982 29.363 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.247 28.111 -10.935 1.00 0.00 H new ATOM 484 N LEU A 31 -7.060 28.321 -15.988 1.00 0.00 N ATOM 485 CA LEU A 31 -7.440 29.192 -17.097 1.00 0.00 C ATOM 486 C LEU A 31 -8.941 29.125 -17.303 1.00 0.00 C ATOM 487 O LEU A 31 -9.560 30.132 -17.640 1.00 0.00 O ATOM 488 CB LEU A 31 -6.691 28.758 -18.334 1.00 0.00 C ATOM 489 CG LEU A 31 -5.242 29.240 -18.270 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.556 29.328 -16.902 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.479 28.279 -19.162 1.00 0.00 C ATOM 0 H LEU A 31 -6.481 27.527 -16.262 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.179 30.228 -16.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.717 27.672 -18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.177 29.161 -19.222 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.245 30.286 -18.578 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.534 29.686 -17.030 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.106 30.019 -16.263 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.540 28.341 -16.439 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.424 28.553 -19.174 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.586 27.264 -18.779 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.878 28.328 -20.175 1.00 0.00 H new ATOM 503 N ALA A 32 -9.527 27.954 -17.041 1.00 0.00 N ATOM 504 CA ALA A 32 -10.973 27.794 -17.081 1.00 0.00 C ATOM 505 C ALA A 32 -11.642 28.768 -16.099 1.00 0.00 C ATOM 506 O ALA A 32 -12.816 29.090 -16.266 1.00 0.00 O ATOM 507 CB ALA A 32 -11.400 26.342 -16.830 1.00 0.00 C ATOM 0 H ALA A 32 -9.017 27.105 -16.799 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.312 28.040 -18.087 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.487 26.270 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.966 25.698 -17.595 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.051 26.025 -15.847 1.00 0.00 H new ATOM 513 N GLN A 33 -10.890 29.263 -15.101 1.00 0.00 N ATOM 514 CA GLN A 33 -11.342 30.252 -14.135 1.00 0.00 C ATOM 515 C GLN A 33 -10.952 31.626 -14.688 1.00 0.00 C ATOM 516 O GLN A 33 -11.738 32.567 -14.618 1.00 0.00 O ATOM 517 CB GLN A 33 -10.731 29.958 -12.752 1.00 0.00 C ATOM 518 CG GLN A 33 -11.779 29.949 -11.631 1.00 0.00 C ATOM 519 CD GLN A 33 -12.088 31.332 -11.051 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.978 31.530 -9.845 1.00 0.00 O ATOM 521 NE2 GLN A 33 -12.483 32.298 -11.880 1.00 0.00 N ATOM 0 H GLN A 33 -9.925 28.971 -14.949 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.422 30.223 -13.992 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.227 28.992 -12.780 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.972 30.707 -12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.702 29.514 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.430 29.300 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.567 32.110 -12.879 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.701 33.225 -11.515 1.00 0.00 H new ATOM 530 N GLY A 34 -9.745 31.704 -15.256 1.00 0.00 N ATOM 531 CA GLY A 34 -9.171 32.876 -15.900 1.00 0.00 C ATOM 532 C GLY A 34 -7.737 33.191 -15.470 1.00 0.00 C ATOM 533 O GLY A 34 -7.260 34.278 -15.791 1.00 0.00 O ATOM 0 H GLY A 34 -9.112 30.904 -15.277 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.190 32.729 -16.980 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.801 33.739 -15.685 1.00 0.00 H new ATOM 537 N ASP A 35 -7.038 32.294 -14.754 1.00 0.00 N ATOM 538 CA ASP A 35 -5.677 32.610 -14.293 1.00 0.00 C ATOM 539 C ASP A 35 -4.581 32.299 -15.327 1.00 0.00 C ATOM 540 O ASP A 35 -3.664 31.519 -15.078 1.00 0.00 O ATOM 541 CB ASP A 35 -5.407 32.001 -12.910 1.00 0.00 C ATOM 542 CG ASP A 35 -4.215 32.644 -12.197 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.409 33.324 -12.873 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.112 32.417 -10.973 1.00 0.00 O ATOM 0 H ASP A 35 -7.380 31.371 -14.488 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.628 33.693 -14.181 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.297 32.111 -12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.225 30.932 -13.019 1.00 0.00 H new ATOM 549 N TYR A 36 -4.681 32.941 -16.494 1.00 0.00 N ATOM 550 CA TYR A 36 -3.773 32.869 -17.634 1.00 0.00 C ATOM 551 C TYR A 36 -2.306 32.926 -17.230 1.00 0.00 C ATOM 552 O TYR A 36 -1.480 32.171 -17.744 1.00 0.00 O ATOM 553 CB TYR A 36 -4.107 34.000 -18.613 1.00 0.00 C ATOM 554 CG TYR A 36 -5.584 34.154 -18.927 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.292 33.099 -19.531 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.256 35.350 -18.609 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.662 33.236 -19.815 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.625 35.487 -18.895 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.329 34.431 -19.496 1.00 0.00 C ATOM 560 OH TYR A 36 -9.658 34.570 -19.769 1.00 0.00 O ATOM 0 H TYR A 36 -5.461 33.573 -16.677 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.918 31.901 -18.113 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.738 34.939 -18.201 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.568 33.827 -19.544 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.781 32.180 -19.778 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.718 36.163 -18.145 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.202 32.423 -20.278 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.137 36.406 -18.652 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.960 35.457 -19.483 1.00 0.00 H new ATOM 570 N GLU A 37 -1.997 33.830 -16.304 1.00 0.00 N ATOM 571 CA GLU A 37 -0.648 34.029 -15.802 1.00 0.00 C ATOM 572 C GLU A 37 -0.119 32.747 -15.178 1.00 0.00 C ATOM 573 O GLU A 37 1.024 32.355 -15.419 1.00 0.00 O ATOM 574 CB GLU A 37 -0.567 35.234 -14.861 1.00 0.00 C ATOM 575 CG GLU A 37 -0.886 36.534 -15.615 1.00 0.00 C ATOM 576 CD GLU A 37 -0.040 37.699 -15.111 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.181 37.661 -15.384 1.00 0.00 O ATOM 578 OE2 GLU A 37 -0.617 38.602 -14.471 1.00 0.00 O ATOM 0 H GLU A 37 -2.687 34.450 -15.879 1.00 0.00 H new ATOM 0 HA GLU A 37 0.004 34.267 -16.642 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.267 35.105 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.430 35.296 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.709 36.390 -16.681 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.943 36.774 -15.497 1.00 0.00 H new ATOM 585 N LYS A 38 -0.972 32.081 -14.404 1.00 0.00 N ATOM 586 CA LYS A 38 -0.615 30.813 -13.793 1.00 0.00 C ATOM 587 C LYS A 38 -0.504 29.734 -14.856 1.00 0.00 C ATOM 588 O LYS A 38 0.340 28.855 -14.725 1.00 0.00 O ATOM 589 CB LYS A 38 -1.578 30.409 -12.668 1.00 0.00 C ATOM 590 CG LYS A 38 -1.062 30.848 -11.291 1.00 0.00 C ATOM 591 CD LYS A 38 -0.031 29.821 -10.789 1.00 0.00 C ATOM 592 CE LYS A 38 0.973 30.406 -9.791 1.00 0.00 C ATOM 593 NZ LYS A 38 2.080 31.096 -10.479 1.00 0.00 N ATOM 0 H LYS A 38 -1.915 32.403 -14.188 1.00 0.00 H new ATOM 0 HA LYS A 38 0.360 30.935 -13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.556 30.855 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.714 29.328 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.607 31.836 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.890 30.925 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.556 28.989 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.511 29.414 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.463 31.105 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.373 29.608 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.647 31.622 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.682 30.396 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.693 31.758 -11.182 1.00 0.00 H new ATOM 607 N GLY A 39 -1.316 29.796 -15.913 1.00 0.00 N ATOM 608 CA GLY A 39 -1.202 28.813 -16.978 1.00 0.00 C ATOM 609 C GLY A 39 0.146 28.936 -17.665 1.00 0.00 C ATOM 610 O GLY A 39 0.734 27.925 -18.021 1.00 0.00 O ATOM 0 H GLY A 39 -2.041 30.500 -16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.320 27.809 -16.570 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.002 28.958 -17.704 1.00 0.00 H new ATOM 614 N VAL A 40 0.649 30.161 -17.852 1.00 0.00 N ATOM 615 CA VAL A 40 1.941 30.348 -18.502 1.00 0.00 C ATOM 616 C VAL A 40 3.032 29.695 -17.650 1.00 0.00 C ATOM 617 O VAL A 40 3.881 28.979 -18.173 1.00 0.00 O ATOM 618 CB VAL A 40 2.226 31.841 -18.787 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.683 32.062 -19.206 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.324 32.410 -19.899 1.00 0.00 C ATOM 0 H VAL A 40 0.186 31.023 -17.566 1.00 0.00 H new ATOM 0 HA VAL A 40 1.928 29.859 -19.476 1.00 0.00 H new ATOM 0 HB VAL A 40 2.017 32.362 -17.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.849 33.122 -19.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.346 31.730 -18.407 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.892 31.491 -20.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.564 33.461 -20.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.490 31.854 -20.822 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.279 32.318 -19.603 1.00 0.00 H new ATOM 630 N ASP A 41 3.001 29.946 -16.341 1.00 0.00 N ATOM 631 CA ASP A 41 3.966 29.425 -15.376 1.00 0.00 C ATOM 632 C ASP A 41 3.906 27.896 -15.311 1.00 0.00 C ATOM 633 O ASP A 41 4.912 27.209 -15.461 1.00 0.00 O ATOM 634 CB ASP A 41 3.725 30.098 -14.011 1.00 0.00 C ATOM 635 CG ASP A 41 4.410 29.415 -12.835 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.576 28.998 -12.995 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.749 29.366 -11.772 1.00 0.00 O ATOM 0 H ASP A 41 2.285 30.533 -15.913 1.00 0.00 H new ATOM 0 HA ASP A 41 4.980 29.668 -15.693 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.069 31.131 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.652 30.129 -13.821 1.00 0.00 H new ATOM 642 N HIS A 42 2.711 27.363 -15.092 1.00 0.00 N ATOM 643 CA HIS A 42 2.473 25.932 -14.989 1.00 0.00 C ATOM 644 C HIS A 42 2.813 25.236 -16.294 1.00 0.00 C ATOM 645 O HIS A 42 3.372 24.141 -16.281 1.00 0.00 O ATOM 646 CB HIS A 42 1.033 25.641 -14.554 1.00 0.00 C ATOM 647 CG HIS A 42 0.841 25.823 -13.071 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.587 25.121 -12.137 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.004 26.617 -12.339 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.173 25.513 -10.921 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.201 26.427 -10.975 1.00 0.00 N ATOM 0 H HIS A 42 1.867 27.924 -14.979 1.00 0.00 H new ATOM 0 HA HIS A 42 3.131 25.532 -14.218 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.352 26.301 -15.091 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.771 24.620 -14.830 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.315 24.435 -12.336 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.729 27.296 -12.762 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.583 25.130 -9.998 1.00 0.00 H new ATOM 659 N LEU A 43 2.504 25.861 -17.435 1.00 0.00 N ATOM 660 CA LEU A 43 2.851 25.228 -18.690 1.00 0.00 C ATOM 661 C LEU A 43 4.373 25.245 -18.769 1.00 0.00 C ATOM 662 O LEU A 43 4.959 24.222 -19.097 1.00 0.00 O ATOM 663 CB LEU A 43 2.170 25.885 -19.901 1.00 0.00 C ATOM 664 CG LEU A 43 1.955 24.852 -21.021 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.633 24.094 -20.821 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.876 25.545 -22.383 1.00 0.00 C ATOM 0 H LEU A 43 2.035 26.764 -17.507 1.00 0.00 H new ATOM 0 HA LEU A 43 2.481 24.203 -18.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.212 26.310 -19.601 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.783 26.708 -20.269 1.00 0.00 H new ATOM 0 HG LEU A 43 2.799 24.163 -20.986 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.504 23.370 -21.625 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.653 23.573 -19.864 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.197 24.801 -20.832 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.724 24.799 -23.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.043 26.248 -22.386 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.805 26.083 -22.572 1.00 0.00 H new ATOM 678 N THR A 44 5.019 26.376 -18.430 1.00 0.00 N ATOM 679 CA THR A 44 6.481 26.466 -18.448 1.00 0.00 C ATOM 680 C THR A 44 7.095 25.306 -17.646 1.00 0.00 C ATOM 681 O THR A 44 8.108 24.717 -18.032 1.00 0.00 O ATOM 682 CB THR A 44 6.993 27.835 -17.965 1.00 0.00 C ATOM 683 OG1 THR A 44 6.554 28.839 -18.854 1.00 0.00 O ATOM 684 CG2 THR A 44 8.525 27.881 -17.956 1.00 0.00 C ATOM 0 H THR A 44 4.549 27.234 -18.142 1.00 0.00 H new ATOM 0 HA THR A 44 6.807 26.376 -19.484 1.00 0.00 H new ATOM 0 HB THR A 44 6.611 27.994 -16.957 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.596 28.997 -18.722 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.858 28.860 -17.611 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.908 27.111 -17.287 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.900 27.705 -18.964 1.00 0.00 H new ATOM 692 N ASN A 45 6.454 24.969 -16.528 1.00 0.00 N ATOM 693 CA ASN A 45 6.893 23.881 -15.662 1.00 0.00 C ATOM 694 C ASN A 45 6.691 22.544 -16.379 1.00 0.00 C ATOM 695 O ASN A 45 7.573 21.682 -16.355 1.00 0.00 O ATOM 696 CB ASN A 45 6.208 23.929 -14.294 1.00 0.00 C ATOM 697 CG ASN A 45 6.872 24.913 -13.334 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.776 24.542 -12.589 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.433 26.169 -13.336 1.00 0.00 N ATOM 0 H ASN A 45 5.614 25.445 -16.198 1.00 0.00 H new ATOM 0 HA ASN A 45 7.957 23.997 -15.458 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.162 24.207 -14.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.220 22.933 -13.852 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.849 26.856 -12.707 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.681 26.445 -13.967 1.00 0.00 H new ATOM 706 N ALA A 46 5.548 22.374 -17.057 1.00 0.00 N ATOM 707 CA ALA A 46 5.281 21.163 -17.812 1.00 0.00 C ATOM 708 C ALA A 46 6.423 20.957 -18.828 1.00 0.00 C ATOM 709 O ALA A 46 6.944 19.851 -18.971 1.00 0.00 O ATOM 710 CB ALA A 46 3.857 21.185 -18.386 1.00 0.00 C ATOM 0 H ALA A 46 4.799 23.066 -17.092 1.00 0.00 H new ATOM 0 HA ALA A 46 5.285 20.277 -17.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.677 20.269 -18.948 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.137 21.258 -17.571 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.744 22.044 -19.047 1.00 0.00 H new ATOM 716 N ILE A 47 6.866 22.034 -19.499 1.00 0.00 N ATOM 717 CA ILE A 47 8.000 21.976 -20.428 1.00 0.00 C ATOM 718 C ILE A 47 9.274 21.557 -19.698 1.00 0.00 C ATOM 719 O ILE A 47 10.086 20.813 -20.242 1.00 0.00 O ATOM 720 CB ILE A 47 8.250 23.310 -21.177 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.205 23.592 -22.283 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.684 23.400 -21.744 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.876 24.092 -21.734 1.00 0.00 C ATOM 0 H ILE A 47 6.450 22.961 -19.412 1.00 0.00 H new ATOM 0 HA ILE A 47 7.734 21.230 -21.177 1.00 0.00 H new ATOM 0 HB ILE A 47 8.135 24.090 -20.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.607 24.332 -22.975 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.035 22.680 -22.855 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.812 24.352 -22.260 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.403 23.330 -20.928 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.850 22.582 -22.445 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.186 24.271 -22.559 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.454 23.343 -21.064 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.035 25.020 -21.186 1.00 0.00 H new ATOM 735 N ALA A 48 9.451 22.056 -18.476 1.00 0.00 N ATOM 736 CA ALA A 48 10.631 21.798 -17.663 1.00 0.00 C ATOM 737 C ALA A 48 10.782 20.323 -17.348 1.00 0.00 C ATOM 738 O ALA A 48 11.905 19.836 -17.237 1.00 0.00 O ATOM 739 CB ALA A 48 10.646 22.631 -16.377 1.00 0.00 C ATOM 0 H ALA A 48 8.767 22.659 -18.019 1.00 0.00 H new ATOM 0 HA ALA A 48 11.489 22.107 -18.261 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.546 22.402 -15.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.637 23.691 -16.630 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.766 22.393 -15.779 1.00 0.00 H new ATOM 745 N VAL A 49 9.655 19.619 -17.221 1.00 0.00 N ATOM 746 CA VAL A 49 9.675 18.202 -16.915 1.00 0.00 C ATOM 747 C VAL A 49 9.481 17.363 -18.176 1.00 0.00 C ATOM 748 O VAL A 49 9.721 16.159 -18.132 1.00 0.00 O ATOM 749 CB VAL A 49 8.668 17.889 -15.802 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.838 18.878 -14.649 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.200 17.907 -16.218 1.00 0.00 C ATOM 0 H VAL A 49 8.721 20.015 -17.327 1.00 0.00 H new ATOM 0 HA VAL A 49 10.658 17.926 -16.532 1.00 0.00 H new ATOM 0 HB VAL A 49 8.899 16.864 -15.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.119 18.648 -13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.849 18.801 -14.249 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.668 19.892 -15.011 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.575 17.673 -15.356 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.941 18.896 -16.596 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.034 17.165 -16.999 1.00 0.00 H new ATOM 761 N CYS A 50 9.078 17.974 -19.303 1.00 0.00 N ATOM 762 CA CYS A 50 8.915 17.236 -20.549 1.00 0.00 C ATOM 763 C CYS A 50 10.240 17.221 -21.307 1.00 0.00 C ATOM 764 O CYS A 50 10.732 16.152 -21.661 1.00 0.00 O ATOM 765 CB CYS A 50 7.765 17.824 -21.360 1.00 0.00 C ATOM 766 SG CYS A 50 7.620 16.992 -22.957 1.00 0.00 S ATOM 0 H CYS A 50 8.863 18.969 -19.368 1.00 0.00 H new ATOM 0 HA CYS A 50 8.650 16.199 -20.345 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.832 17.722 -20.805 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.930 18.891 -21.513 1.00 0.00 H new ATOM 0 HG CYS A 50 6.633 17.509 -23.627 1.00 0.00 H new ATOM 772 N GLY A 51 10.825 18.401 -21.558 1.00 0.00 N ATOM 773 CA GLY A 51 12.095 18.511 -22.267 1.00 0.00 C ATOM 774 C GLY A 51 11.931 18.476 -23.790 1.00 0.00 C ATOM 775 O GLY A 51 12.905 18.655 -24.517 1.00 0.00 O ATOM 0 H GLY A 51 10.429 19.297 -21.275 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.586 19.441 -21.981 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.750 17.696 -21.958 1.00 0.00 H new ATOM 779 N GLN A 52 10.699 18.266 -24.264 1.00 0.00 N ATOM 780 CA GLN A 52 10.328 18.231 -25.673 1.00 0.00 C ATOM 781 C GLN A 52 9.140 19.194 -25.810 1.00 0.00 C ATOM 782 O GLN A 52 8.044 18.774 -26.184 1.00 0.00 O ATOM 783 CB GLN A 52 10.004 16.778 -26.055 1.00 0.00 C ATOM 784 CG GLN A 52 10.063 16.578 -27.575 1.00 0.00 C ATOM 785 CD GLN A 52 11.454 16.303 -28.139 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.426 16.152 -27.406 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.545 16.238 -29.468 1.00 0.00 N ATOM 0 H GLN A 52 9.903 18.110 -23.646 1.00 0.00 H new ATOM 0 HA GLN A 52 11.118 18.549 -26.353 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.711 16.105 -25.569 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.011 16.516 -25.689 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.409 15.748 -27.842 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.661 17.468 -28.059 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.713 16.369 -30.043 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.447 16.057 -29.909 1.00 0.00 H new ATOM 796 N PRO A 53 9.332 20.490 -25.488 1.00 0.00 N ATOM 797 CA PRO A 53 8.280 21.488 -25.524 1.00 0.00 C ATOM 798 C PRO A 53 7.499 21.531 -26.822 1.00 0.00 C ATOM 799 O PRO A 53 6.278 21.485 -26.800 1.00 0.00 O ATOM 800 CB PRO A 53 8.957 22.841 -25.271 1.00 0.00 C ATOM 801 CG PRO A 53 10.443 22.580 -25.483 1.00 0.00 C ATOM 802 CD PRO A 53 10.565 21.129 -25.036 1.00 0.00 C ATOM 0 HA PRO A 53 7.539 21.235 -24.766 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.587 23.602 -25.958 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.759 23.200 -24.261 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.738 22.715 -26.524 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.066 23.247 -24.886 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.441 20.653 -25.476 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.673 21.057 -23.954 1.00 0.00 H new ATOM 810 N GLN A 54 8.211 21.648 -27.939 1.00 0.00 N ATOM 811 CA GLN A 54 7.635 21.773 -29.271 1.00 0.00 C ATOM 812 C GLN A 54 6.689 20.622 -29.594 1.00 0.00 C ATOM 813 O GLN A 54 5.662 20.843 -30.236 1.00 0.00 O ATOM 814 CB GLN A 54 8.751 21.941 -30.317 1.00 0.00 C ATOM 815 CG GLN A 54 9.715 23.108 -30.016 1.00 0.00 C ATOM 816 CD GLN A 54 10.630 23.387 -31.206 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.411 24.338 -31.950 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.661 22.564 -31.390 1.00 0.00 N ATOM 0 H GLN A 54 9.231 21.659 -27.941 1.00 0.00 H new ATOM 0 HA GLN A 54 7.020 22.673 -29.299 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.323 21.015 -30.376 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.298 22.099 -31.296 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.142 24.004 -29.776 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.317 22.870 -29.139 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.811 21.784 -30.750 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.300 22.714 -32.170 1.00 0.00 H new ATOM 827 N GLN A 55 6.998 19.403 -29.136 1.00 0.00 N ATOM 828 CA GLN A 55 6.101 18.281 -29.357 1.00 0.00 C ATOM 829 C GLN A 55 4.802 18.574 -28.629 1.00 0.00 C ATOM 830 O GLN A 55 3.725 18.409 -29.193 1.00 0.00 O ATOM 831 CB GLN A 55 6.706 16.963 -28.860 1.00 0.00 C ATOM 832 CG GLN A 55 6.531 15.834 -29.878 1.00 0.00 C ATOM 833 CD GLN A 55 7.440 16.026 -31.092 1.00 0.00 C ATOM 834 OE1 GLN A 55 8.628 16.315 -30.947 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.888 15.872 -32.295 1.00 0.00 N ATOM 0 H GLN A 55 7.849 19.178 -28.620 1.00 0.00 H new ATOM 0 HA GLN A 55 5.927 18.163 -30.426 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.767 17.105 -28.655 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.235 16.679 -27.919 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.753 14.878 -29.404 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.491 15.795 -30.204 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.900 15.632 -32.376 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.454 15.994 -33.135 1.00 0.00 H new ATOM 844 N LEU A 56 4.922 19.021 -27.377 1.00 0.00 N ATOM 845 CA LEU A 56 3.766 19.347 -26.575 1.00 0.00 C ATOM 846 C LEU A 56 2.982 20.503 -27.203 1.00 0.00 C ATOM 847 O LEU A 56 1.759 20.473 -27.249 1.00 0.00 O ATOM 848 CB LEU A 56 4.132 19.623 -25.108 1.00 0.00 C ATOM 849 CG LEU A 56 2.896 19.749 -24.195 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.147 18.411 -23.995 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.362 20.348 -22.866 1.00 0.00 C ATOM 0 H LEU A 56 5.815 19.162 -26.906 1.00 0.00 H new ATOM 0 HA LEU A 56 3.116 18.472 -26.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.769 18.818 -24.740 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.715 20.542 -25.051 1.00 0.00 H new ATOM 0 HG LEU A 56 2.165 20.402 -24.672 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.288 18.569 -23.343 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.806 18.037 -24.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.818 17.683 -23.541 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.510 20.451 -22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.105 19.692 -22.412 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.804 21.328 -23.044 1.00 0.00 H new ATOM 863 N LEU A 57 3.655 21.540 -27.705 1.00 0.00 N ATOM 864 CA LEU A 57 2.934 22.664 -28.298 1.00 0.00 C ATOM 865 C LEU A 57 2.131 22.192 -29.516 1.00 0.00 C ATOM 866 O LEU A 57 0.988 22.610 -29.708 1.00 0.00 O ATOM 867 CB LEU A 57 3.846 23.884 -28.537 1.00 0.00 C ATOM 868 CG LEU A 57 4.685 24.343 -27.315 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.351 25.696 -27.577 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.906 24.405 -25.989 1.00 0.00 C ATOM 0 H LEU A 57 4.671 21.624 -27.713 1.00 0.00 H new ATOM 0 HA LEU A 57 2.199 23.039 -27.586 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.527 23.651 -29.356 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.227 24.719 -28.865 1.00 0.00 H new ATOM 0 HG LEU A 57 5.441 23.567 -27.195 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.932 25.991 -26.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.011 25.616 -28.441 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.585 26.446 -27.774 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.571 24.735 -25.191 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.079 25.108 -26.086 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.515 23.416 -25.750 1.00 0.00 H new ATOM 882 N GLN A 58 2.697 21.278 -30.313 1.00 0.00 N ATOM 883 CA GLN A 58 1.987 20.711 -31.449 1.00 0.00 C ATOM 884 C GLN A 58 0.815 19.867 -30.942 1.00 0.00 C ATOM 885 O GLN A 58 -0.291 19.960 -31.469 1.00 0.00 O ATOM 886 CB GLN A 58 2.947 19.890 -32.316 1.00 0.00 C ATOM 887 CG GLN A 58 3.912 20.807 -33.080 1.00 0.00 C ATOM 888 CD GLN A 58 5.059 20.013 -33.695 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.066 19.735 -34.891 1.00 0.00 O ATOM 890 NE2 GLN A 58 6.039 19.644 -32.870 1.00 0.00 N ATOM 0 H GLN A 58 3.644 20.920 -30.187 1.00 0.00 H new ATOM 0 HA GLN A 58 1.587 21.509 -32.074 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.513 19.202 -31.688 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.379 19.284 -33.022 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.371 21.335 -33.865 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.311 21.563 -32.404 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.996 19.895 -31.882 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.832 19.111 -33.226 1.00 0.00 H new ATOM 899 N VAL A 59 1.051 19.051 -29.909 1.00 0.00 N ATOM 900 CA VAL A 59 0.048 18.182 -29.312 1.00 0.00 C ATOM 901 C VAL A 59 -1.122 18.958 -28.729 1.00 0.00 C ATOM 902 O VAL A 59 -2.256 18.487 -28.753 1.00 0.00 O ATOM 903 CB VAL A 59 0.673 17.209 -28.299 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.480 17.531 -26.807 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.103 15.834 -28.497 1.00 0.00 C ATOM 0 H VAL A 59 1.964 18.980 -29.461 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.368 17.577 -30.118 1.00 0.00 H new ATOM 0 HB VAL A 59 1.739 17.295 -28.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.970 16.767 -26.204 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.918 18.504 -26.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.585 17.551 -26.574 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.549 15.148 -27.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.977 15.863 -28.350 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.322 15.491 -29.508 1.00 0.00 H new ATOM 915 N LEU A 60 -0.855 20.168 -28.246 1.00 0.00 N ATOM 916 CA LEU A 60 -1.896 20.999 -27.676 1.00 0.00 C ATOM 917 C LEU A 60 -2.656 21.588 -28.855 1.00 0.00 C ATOM 918 O LEU A 60 -3.878 21.644 -28.804 1.00 0.00 O ATOM 919 CB LEU A 60 -1.250 22.167 -26.904 1.00 0.00 C ATOM 920 CG LEU A 60 -0.962 21.977 -25.404 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.164 22.447 -24.570 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.664 20.546 -24.962 1.00 0.00 C ATOM 0 H LEU A 60 0.074 20.589 -28.241 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.536 20.426 -27.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.308 22.410 -27.396 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.899 23.036 -27.011 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.061 22.568 -25.238 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.949 22.308 -23.511 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.353 23.502 -24.766 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.045 21.865 -24.841 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.476 20.528 -23.888 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.518 19.909 -25.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.215 20.178 -25.490 1.00 0.00 H new ATOM 934 N GLN A 61 -1.954 21.991 -29.919 1.00 0.00 N ATOM 935 CA GLN A 61 -2.592 22.564 -31.100 1.00 0.00 C ATOM 936 C GLN A 61 -3.475 21.536 -31.811 1.00 0.00 C ATOM 937 O GLN A 61 -4.471 21.907 -32.430 1.00 0.00 O ATOM 938 CB GLN A 61 -1.537 23.186 -32.036 1.00 0.00 C ATOM 939 CG GLN A 61 -2.083 23.601 -33.413 1.00 0.00 C ATOM 940 CD GLN A 61 -1.069 24.451 -34.173 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.295 23.936 -34.974 1.00 0.00 O ATOM 942 NE2 GLN A 61 -1.074 25.760 -33.928 1.00 0.00 N ATOM 0 H GLN A 61 -0.938 21.929 -29.983 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.255 23.368 -30.780 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.107 24.061 -31.549 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.727 22.470 -32.179 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.325 22.712 -33.995 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.009 24.161 -33.286 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.733 26.150 -33.255 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.419 26.372 -34.414 1.00 0.00 H new ATOM 951 N GLN A 62 -3.118 20.250 -31.724 1.00 0.00 N ATOM 952 CA GLN A 62 -3.857 19.168 -32.357 1.00 0.00 C ATOM 953 C GLN A 62 -5.229 19.024 -31.712 1.00 0.00 C ATOM 954 O GLN A 62 -6.210 18.786 -32.412 1.00 0.00 O ATOM 955 CB GLN A 62 -3.031 17.861 -32.370 1.00 0.00 C ATOM 956 CG GLN A 62 -3.437 16.742 -31.388 1.00 0.00 C ATOM 957 CD GLN A 62 -4.718 15.996 -31.765 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.665 15.956 -30.983 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.747 15.381 -32.947 1.00 0.00 N ATOM 0 H GLN A 62 -2.298 19.935 -31.205 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.031 19.410 -33.405 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.069 17.451 -33.379 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.991 18.120 -32.171 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.621 16.023 -31.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.564 17.176 -30.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.942 15.436 -33.571 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.575 14.855 -33.228 1.00 0.00 H new ATOM 968 N THR A 63 -5.291 19.162 -30.381 1.00 0.00 N ATOM 969 CA THR A 63 -6.548 19.023 -29.661 1.00 0.00 C ATOM 970 C THR A 63 -7.352 20.319 -29.642 1.00 0.00 C ATOM 971 O THR A 63 -8.574 20.283 -29.769 1.00 0.00 O ATOM 972 CB THR A 63 -6.347 18.374 -28.289 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.600 18.147 -27.677 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.450 19.149 -27.333 1.00 0.00 C ATOM 0 H THR A 63 -4.486 19.369 -29.790 1.00 0.00 H new ATOM 0 HA THR A 63 -7.175 18.325 -30.215 1.00 0.00 H new ATOM 0 HB THR A 63 -5.826 17.437 -28.489 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.465 17.730 -26.800 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.370 18.608 -26.390 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.459 19.259 -27.773 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.878 20.135 -27.151 1.00 0.00 H new ATOM 982 N LEU A 64 -6.676 21.461 -29.486 1.00 0.00 N ATOM 983 CA LEU A 64 -7.346 22.763 -29.436 1.00 0.00 C ATOM 984 C LEU A 64 -6.362 23.922 -29.611 1.00 0.00 C ATOM 985 O LEU A 64 -5.259 23.848 -29.090 1.00 0.00 O ATOM 986 CB LEU A 64 -8.115 22.916 -28.107 1.00 0.00 C ATOM 987 CG LEU A 64 -7.214 22.881 -26.853 1.00 0.00 C ATOM 988 CD1 LEU A 64 -6.999 24.286 -26.276 1.00 0.00 C ATOM 989 CD2 LEU A 64 -7.838 21.988 -25.776 1.00 0.00 C ATOM 0 H LEU A 64 -5.662 21.510 -29.392 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.049 22.801 -30.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.663 23.858 -28.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.855 22.119 -28.033 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.248 22.477 -27.157 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.361 24.224 -25.395 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.522 24.918 -27.025 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.961 24.716 -25.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.193 21.972 -24.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.817 22.380 -25.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.949 20.975 -26.163 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.726 25.010 -30.310 1.00 0.00 N ATOM 1002 CA PRO A 65 -5.843 26.156 -30.486 1.00 0.00 C ATOM 1003 C PRO A 65 -5.606 26.808 -29.114 1.00 0.00 C ATOM 1004 O PRO A 65 -6.558 27.312 -28.524 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.574 27.088 -31.458 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.049 26.730 -31.271 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.006 25.235 -30.960 1.00 0.00 C ATOM 0 HA PRO A 65 -4.863 25.896 -30.886 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.385 28.136 -31.226 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.251 26.926 -32.486 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.502 27.298 -30.458 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.631 26.938 -32.169 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.832 24.945 -30.311 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.093 24.642 -31.870 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.372 26.793 -28.579 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.060 27.345 -27.268 1.00 0.00 C ATOM 1017 C PRO A 66 -3.883 28.870 -27.325 1.00 0.00 C ATOM 1018 O PRO A 66 -2.928 29.347 -27.937 1.00 0.00 O ATOM 1019 CB PRO A 66 -2.791 26.599 -26.855 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.049 26.379 -28.178 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.180 26.214 -29.187 1.00 0.00 C ATOM 0 HA PRO A 66 -4.859 27.208 -26.539 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.194 27.183 -26.154 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.024 25.654 -26.365 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.408 27.225 -28.426 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.411 25.496 -28.140 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.940 26.718 -30.123 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.338 25.162 -29.422 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.765 29.668 -26.693 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.636 31.118 -26.687 1.00 0.00 C ATOM 1031 C PRO A 67 -3.537 31.528 -25.702 1.00 0.00 C ATOM 1032 O PRO A 67 -2.761 32.442 -25.968 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.009 31.640 -26.257 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.545 30.537 -25.344 1.00 0.00 C ATOM 1035 CD PRO A 67 -5.940 29.259 -25.932 1.00 0.00 C ATOM 0 HA PRO A 67 -4.353 31.526 -27.657 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.929 32.592 -25.731 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.662 31.803 -27.114 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.237 30.688 -24.309 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.635 30.505 -25.351 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.666 28.560 -25.141 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.659 28.749 -26.573 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.472 30.834 -24.561 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.496 31.062 -23.502 1.00 0.00 C ATOM 1045 C VAL A 68 -1.096 30.869 -24.051 1.00 0.00 C ATOM 1046 O VAL A 68 -0.222 31.667 -23.747 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.779 30.206 -22.256 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.503 29.951 -21.447 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -3.800 30.980 -21.417 1.00 0.00 C ATOM 0 H VAL A 68 -4.119 30.075 -24.347 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.582 32.094 -23.160 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.162 29.227 -22.546 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.741 29.343 -20.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.777 29.426 -22.068 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.082 30.902 -21.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.036 30.413 -20.517 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.383 31.947 -21.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.709 31.132 -21.999 1.00 0.00 H new ATOM 1059 N PHE A 69 -0.894 29.837 -24.872 1.00 0.00 N ATOM 1060 CA PHE A 69 0.383 29.583 -25.538 1.00 0.00 C ATOM 1061 C PHE A 69 0.921 30.883 -26.142 1.00 0.00 C ATOM 1062 O PHE A 69 2.088 31.212 -25.962 1.00 0.00 O ATOM 1063 CB PHE A 69 0.163 28.506 -26.605 1.00 0.00 C ATOM 1064 CG PHE A 69 0.976 28.598 -27.880 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.246 28.004 -27.964 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.444 29.277 -28.993 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.981 28.092 -29.162 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.179 29.365 -30.186 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.447 28.770 -30.271 1.00 0.00 C ATOM 0 H PHE A 69 -1.616 29.151 -25.094 1.00 0.00 H new ATOM 0 HA PHE A 69 1.128 29.225 -24.827 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.364 27.537 -26.149 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.892 28.517 -26.879 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.657 27.482 -27.113 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.533 29.732 -28.929 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.958 27.637 -29.229 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.769 29.890 -31.037 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.013 28.833 -31.189 1.00 0.00 H new ATOM 1079 N GLN A 70 0.061 31.630 -26.839 1.00 0.00 N ATOM 1080 CA GLN A 70 0.448 32.892 -27.475 1.00 0.00 C ATOM 1081 C GLN A 70 0.924 33.917 -26.441 1.00 0.00 C ATOM 1082 O GLN A 70 1.809 34.725 -26.722 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.699 33.439 -28.346 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.281 34.616 -29.243 1.00 0.00 C ATOM 1085 CD GLN A 70 -0.768 35.970 -28.720 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.822 36.449 -29.129 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -0.005 36.603 -27.829 1.00 0.00 N ATOM 0 H GLN A 70 -0.918 31.379 -26.978 1.00 0.00 H new ATOM 0 HA GLN A 70 1.294 32.695 -28.134 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.084 32.634 -28.972 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.516 33.758 -27.699 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.806 34.634 -29.326 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.674 34.458 -30.247 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.865 36.178 -27.509 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.291 37.513 -27.467 1.00 0.00 H new ATOM 1096 N MET A 71 0.337 33.877 -25.245 1.00 0.00 N ATOM 1097 CA MET A 71 0.643 34.753 -24.130 1.00 0.00 C ATOM 1098 C MET A 71 1.879 34.238 -23.391 1.00 0.00 C ATOM 1099 O MET A 71 2.614 35.029 -22.815 1.00 0.00 O ATOM 1100 CB MET A 71 -0.581 34.933 -23.217 1.00 0.00 C ATOM 1101 CG MET A 71 -1.860 35.282 -24.001 1.00 0.00 C ATOM 1102 SD MET A 71 -3.053 36.341 -23.143 1.00 0.00 S ATOM 1103 CE MET A 71 -3.428 35.301 -21.717 1.00 0.00 C ATOM 0 H MET A 71 -0.395 33.202 -25.024 1.00 0.00 H new ATOM 0 HA MET A 71 0.883 35.749 -24.503 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.745 34.016 -22.651 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.377 35.722 -22.493 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.570 35.773 -24.930 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.360 34.353 -24.274 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.166 35.798 -21.088 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.826 34.346 -22.058 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.518 35.130 -21.142 1.00 0.00 H new ATOM 1113 N LEU A 72 2.151 32.929 -23.433 1.00 0.00 N ATOM 1114 CA LEU A 72 3.341 32.336 -22.848 1.00 0.00 C ATOM 1115 C LEU A 72 4.513 32.859 -23.667 1.00 0.00 C ATOM 1116 O LEU A 72 5.528 33.291 -23.123 1.00 0.00 O ATOM 1117 CB LEU A 72 3.220 30.793 -22.830 1.00 0.00 C ATOM 1118 CG LEU A 72 4.512 30.004 -23.096 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.523 30.121 -21.950 1.00 0.00 C ATOM 1120 CD2 LEU A 72 4.171 28.521 -23.281 1.00 0.00 C ATOM 0 H LEU A 72 1.537 32.249 -23.882 1.00 0.00 H new ATOM 0 HA LEU A 72 3.484 32.612 -21.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.830 30.492 -21.858 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.481 30.499 -23.575 1.00 0.00 H new ATOM 0 HG LEU A 72 4.964 30.427 -23.993 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.416 29.544 -22.192 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.794 31.167 -21.809 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.079 29.735 -21.032 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.085 27.958 -23.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.692 28.142 -22.378 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.493 28.406 -24.127 1.00 0.00 H new ATOM 1132 N LEU A 73 4.348 32.835 -24.991 1.00 0.00 N ATOM 1133 CA LEU A 73 5.390 33.304 -25.891 1.00 0.00 C ATOM 1134 C LEU A 73 5.659 34.792 -25.759 1.00 0.00 C ATOM 1135 O LEU A 73 6.762 35.239 -26.056 1.00 0.00 O ATOM 1136 CB LEU A 73 5.072 33.007 -27.357 1.00 0.00 C ATOM 1137 CG LEU A 73 4.844 31.544 -27.758 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.634 31.572 -29.266 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.966 30.585 -27.352 1.00 0.00 C ATOM 0 H LEU A 73 3.506 32.497 -25.457 1.00 0.00 H new ATOM 0 HA LEU A 73 6.280 32.752 -25.590 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.179 33.571 -27.627 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.890 33.397 -27.963 1.00 0.00 H new ATOM 0 HG LEU A 73 3.984 31.144 -27.222 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.464 30.558 -29.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.769 32.191 -29.501 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.519 31.986 -29.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.717 29.575 -27.677 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.899 30.897 -27.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.082 30.599 -26.268 1.00 0.00 H new ATOM 1151 N THR A 74 4.650 35.541 -25.322 1.00 0.00 N ATOM 1152 CA THR A 74 4.745 36.976 -25.125 1.00 0.00 C ATOM 1153 C THR A 74 5.210 37.289 -23.699 1.00 0.00 C ATOM 1154 O THR A 74 5.788 38.348 -23.471 1.00 0.00 O ATOM 1155 CB THR A 74 3.484 37.711 -25.611 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.838 38.897 -26.293 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.554 38.091 -24.471 1.00 0.00 C ATOM 0 H THR A 74 3.733 35.158 -25.093 1.00 0.00 H new ATOM 0 HA THR A 74 5.524 37.387 -25.767 1.00 0.00 H new ATOM 0 HB THR A 74 2.965 37.018 -26.273 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.026 39.354 -26.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.681 38.607 -24.870 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.235 37.191 -23.946 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.078 38.749 -23.778 1.00 0.00 H new ATOM 1165 N LYS A 75 4.984 36.374 -22.743 1.00 0.00 N ATOM 1166 CA LYS A 75 5.409 36.564 -21.362 1.00 0.00 C ATOM 1167 C LYS A 75 6.922 36.393 -21.228 1.00 0.00 C ATOM 1168 O LYS A 75 7.543 37.076 -20.419 1.00 0.00 O ATOM 1169 CB LYS A 75 4.667 35.557 -20.475 1.00 0.00 C ATOM 1170 CG LYS A 75 3.313 36.080 -19.967 1.00 0.00 C ATOM 1171 CD LYS A 75 3.406 36.907 -18.677 1.00 0.00 C ATOM 1172 CE LYS A 75 3.734 36.049 -17.445 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.622 36.824 -16.194 1.00 0.00 N ATOM 0 H LYS A 75 4.504 35.490 -22.912 1.00 0.00 H new ATOM 0 HA LYS A 75 5.167 37.578 -21.044 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.506 34.637 -21.037 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.295 35.303 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.856 36.691 -20.746 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.649 35.233 -19.796 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.172 37.673 -18.796 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.461 37.425 -18.513 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.058 35.195 -17.406 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.745 35.651 -17.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.199 36.375 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.960 37.794 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.628 36.850 -15.889 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.383 14.177 -25.829 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.164 13.701 -26.460 1.00 0.00 C ATOM 1590 C LEU B 7 -3.341 12.850 -25.516 1.00 0.00 C ATOM 1591 O LEU B 7 -2.789 11.858 -25.959 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.352 14.837 -27.111 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.709 15.967 -26.272 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.650 16.795 -25.408 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.461 15.570 -25.477 1.00 0.00 C ATOM 0 HA LEU B 7 -4.463 13.050 -27.282 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.546 14.366 -27.674 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.009 15.318 -27.836 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.385 16.626 -27.077 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.079 17.552 -24.871 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.392 17.282 -26.041 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.154 16.145 -24.693 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.091 16.434 -24.925 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.714 14.774 -24.777 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.689 15.219 -26.162 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.245 13.213 -24.235 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.409 12.497 -23.282 1.00 0.00 C ATOM 1609 C LEU B 8 -2.807 11.028 -23.108 1.00 0.00 C ATOM 1610 O LEU B 8 -2.008 10.244 -22.606 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.254 13.247 -21.962 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.434 14.564 -21.936 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.035 14.527 -22.576 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.258 15.782 -22.362 1.00 0.00 C ATOM 0 H LEU B 8 -3.744 14.008 -23.835 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.413 12.464 -23.723 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.254 13.475 -21.594 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.799 12.562 -21.246 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.199 14.679 -20.878 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.430 15.509 -22.491 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.581 13.788 -22.063 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.123 14.257 -23.628 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.634 16.675 -22.325 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.623 15.637 -23.379 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.105 15.903 -21.686 1.00 0.00 H new