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 55 GLN : amide:sc= 0.659 K(o=1.6,f=-0.64) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.907 K(o=1.6,f=-0.64) USER MOD Single : A 17 GLN : amide:sc= -0.385 K(o=-0.39,f=-3.8!) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.13 (180deg=0.946) USER MOD Single : A 25 GLN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.986) USER MOD Single : A 42 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-4.7!) USER MOD Single : A 44 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 45 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0541 USER MOD Single : A 52 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.082) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 62 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 63 THR OG1 : rot -29:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -137:sc= -0.651 (180deg=-2.03!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 0.389 (180deg=0.00508!) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 7.222 7.451 -14.682 1.00 0.00 N ATOM 205 CA GLU A 14 5.817 7.217 -14.375 1.00 0.00 C ATOM 206 C GLU A 14 5.302 8.171 -13.294 1.00 0.00 C ATOM 207 O GLU A 14 4.147 8.595 -13.325 1.00 0.00 O ATOM 208 CB GLU A 14 5.625 5.765 -13.931 1.00 0.00 C ATOM 209 CG GLU A 14 5.952 4.779 -15.057 1.00 0.00 C ATOM 210 CD GLU A 14 5.698 3.345 -14.604 1.00 0.00 C ATOM 211 OE1 GLU A 14 4.545 3.078 -14.201 1.00 0.00 O ATOM 212 OE2 GLU A 14 6.662 2.553 -14.654 1.00 0.00 O ATOM 0 HA GLU A 14 5.239 7.407 -15.279 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.263 5.560 -13.071 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.595 5.617 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.343 5.003 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.994 4.893 -15.356 1.00 0.00 H new ATOM 219 N ALA A 15 6.160 8.510 -12.329 1.00 0.00 N ATOM 220 CA ALA A 15 5.839 9.417 -11.237 1.00 0.00 C ATOM 221 C ALA A 15 5.821 10.866 -11.721 1.00 0.00 C ATOM 222 O ALA A 15 5.247 11.730 -11.061 1.00 0.00 O ATOM 223 CB ALA A 15 6.873 9.261 -10.124 1.00 0.00 C ATOM 0 H ALA A 15 7.114 8.152 -12.289 1.00 0.00 H new ATOM 0 HA ALA A 15 4.848 9.167 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.633 9.940 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.862 8.234 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.864 9.497 -10.512 1.00 0.00 H new ATOM 229 N VAL A 16 6.447 11.120 -12.874 1.00 0.00 N ATOM 230 CA VAL A 16 6.530 12.430 -13.495 1.00 0.00 C ATOM 231 C VAL A 16 5.397 12.552 -14.499 1.00 0.00 C ATOM 232 O VAL A 16 4.895 13.650 -14.683 1.00 0.00 O ATOM 233 CB VAL A 16 7.919 12.672 -14.118 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.935 13.202 -15.558 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.762 13.569 -13.242 1.00 0.00 C ATOM 0 H VAL A 16 6.921 10.394 -13.411 1.00 0.00 H new ATOM 0 HA VAL A 16 6.415 13.212 -12.745 1.00 0.00 H new ATOM 0 HB VAL A 16 8.345 11.670 -14.176 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.966 13.332 -15.886 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.433 12.490 -16.213 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.417 14.160 -15.599 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.736 13.721 -13.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.264 14.531 -13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.896 13.103 -12.266 1.00 0.00 H new ATOM 245 N GLN A 17 4.984 11.449 -15.136 1.00 0.00 N ATOM 246 CA GLN A 17 3.897 11.484 -16.107 1.00 0.00 C ATOM 247 C GLN A 17 2.617 11.932 -15.419 1.00 0.00 C ATOM 248 O GLN A 17 1.905 12.785 -15.939 1.00 0.00 O ATOM 249 CB GLN A 17 3.696 10.121 -16.800 1.00 0.00 C ATOM 250 CG GLN A 17 2.677 10.140 -17.954 1.00 0.00 C ATOM 251 CD GLN A 17 3.196 10.798 -19.234 1.00 0.00 C ATOM 252 OE1 GLN A 17 4.019 11.708 -19.195 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.721 10.343 -20.392 1.00 0.00 N ATOM 0 H GLN A 17 5.390 10.524 -14.993 1.00 0.00 H new ATOM 0 HA GLN A 17 4.161 12.199 -16.887 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.656 9.777 -17.185 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.371 9.393 -16.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.380 9.116 -18.179 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.781 10.667 -17.625 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.038 9.586 -20.401 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.041 10.752 -21.270 1.00 0.00 H new ATOM 262 N LYS A 18 2.340 11.352 -14.246 1.00 0.00 N ATOM 263 CA LYS A 18 1.141 11.684 -13.490 1.00 0.00 C ATOM 264 C LYS A 18 1.163 13.150 -13.055 1.00 0.00 C ATOM 265 O LYS A 18 0.186 13.864 -13.268 1.00 0.00 O ATOM 266 CB LYS A 18 0.974 10.713 -12.308 1.00 0.00 C ATOM 267 CG LYS A 18 0.778 9.234 -12.714 1.00 0.00 C ATOM 268 CD LYS A 18 0.470 8.358 -11.494 1.00 0.00 C ATOM 269 CE LYS A 18 1.700 8.101 -10.617 1.00 0.00 C ATOM 270 NZ LYS A 18 2.709 7.270 -11.302 1.00 0.00 N ATOM 0 H LYS A 18 2.934 10.650 -13.804 1.00 0.00 H new ATOM 0 HA LYS A 18 0.266 11.565 -14.129 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.852 10.787 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.117 11.029 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.036 9.157 -13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.677 8.868 -13.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.303 8.838 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.065 7.404 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.148 9.054 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.391 7.608 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.475 7.037 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.265 6.392 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.099 7.794 -12.111 1.00 0.00 H new ATOM 284 N PHE A 19 2.268 13.609 -12.465 1.00 0.00 N ATOM 285 CA PHE A 19 2.416 14.995 -12.025 1.00 0.00 C ATOM 286 C PHE A 19 2.384 15.967 -13.219 1.00 0.00 C ATOM 287 O PHE A 19 1.795 17.044 -13.143 1.00 0.00 O ATOM 288 CB PHE A 19 3.680 15.115 -11.159 1.00 0.00 C ATOM 289 CG PHE A 19 4.472 16.395 -11.313 1.00 0.00 C ATOM 290 CD1 PHE A 19 3.947 17.627 -10.882 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.749 16.345 -11.897 1.00 0.00 C ATOM 292 CE1 PHE A 19 4.700 18.805 -11.036 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.500 17.518 -12.046 1.00 0.00 C ATOM 294 CZ PHE A 19 5.981 18.753 -11.618 1.00 0.00 C ATOM 0 H PHE A 19 3.086 13.028 -12.279 1.00 0.00 H new ATOM 0 HA PHE A 19 1.568 15.284 -11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.390 15.014 -10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.336 14.276 -11.390 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.966 17.668 -10.433 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.152 15.401 -12.232 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.295 19.751 -10.707 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.483 17.474 -12.492 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.562 19.656 -11.735 1.00 0.00 H new ATOM 304 N PHE A 20 3.004 15.580 -14.337 1.00 0.00 N ATOM 305 CA PHE A 20 3.038 16.377 -15.560 1.00 0.00 C ATOM 306 C PHE A 20 1.594 16.588 -16.010 1.00 0.00 C ATOM 307 O PHE A 20 1.176 17.718 -16.252 1.00 0.00 O ATOM 308 CB PHE A 20 3.908 15.661 -16.602 1.00 0.00 C ATOM 309 CG PHE A 20 3.846 16.123 -18.036 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.225 17.432 -18.374 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.432 15.228 -19.041 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.194 17.844 -19.716 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.404 15.640 -20.381 1.00 0.00 C ATOM 314 CZ PHE A 20 3.790 16.944 -20.714 1.00 0.00 C ATOM 0 H PHE A 20 3.502 14.693 -14.416 1.00 0.00 H new ATOM 0 HA PHE A 20 3.489 17.358 -15.407 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.945 15.736 -16.275 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.644 14.604 -16.583 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.540 18.120 -17.604 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.136 14.223 -18.779 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.480 18.851 -19.980 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.086 14.955 -21.153 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.777 17.260 -21.747 1.00 0.00 H new ATOM 324 N LEU A 21 0.822 15.499 -16.072 1.00 0.00 N ATOM 325 CA LEU A 21 -0.595 15.520 -16.411 1.00 0.00 C ATOM 326 C LEU A 21 -1.384 16.306 -15.367 1.00 0.00 C ATOM 327 O LEU A 21 -2.349 16.984 -15.716 1.00 0.00 O ATOM 328 CB LEU A 21 -1.122 14.077 -16.526 1.00 0.00 C ATOM 329 CG LEU A 21 -1.371 13.558 -17.955 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.549 12.036 -17.874 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.631 14.250 -18.492 1.00 0.00 C ATOM 0 H LEU A 21 1.177 14.561 -15.883 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.725 16.018 -17.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.409 13.412 -16.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.056 14.007 -15.968 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.542 13.776 -18.629 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.728 11.637 -18.872 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.647 11.586 -17.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.399 11.803 -17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.834 13.902 -19.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.479 14.011 -17.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.477 15.329 -18.503 1.00 0.00 H new ATOM 343 N GLU A 22 -0.981 16.233 -14.096 1.00 0.00 N ATOM 344 CA GLU A 22 -1.634 16.969 -13.025 1.00 0.00 C ATOM 345 C GLU A 22 -1.472 18.470 -13.278 1.00 0.00 C ATOM 346 O GLU A 22 -2.385 19.226 -12.973 1.00 0.00 O ATOM 347 CB GLU A 22 -1.070 16.574 -11.646 1.00 0.00 C ATOM 348 CG GLU A 22 -1.822 17.207 -10.466 1.00 0.00 C ATOM 349 CD GLU A 22 -1.223 16.765 -9.131 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.014 17.021 -8.934 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.971 16.173 -8.322 1.00 0.00 O ATOM 0 H GLU A 22 -0.194 15.662 -13.787 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.695 16.718 -13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.104 15.489 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.021 16.866 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.780 18.293 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.874 16.924 -10.507 1.00 0.00 H new ATOM 358 N GLU A 23 -0.338 18.915 -13.836 1.00 0.00 N ATOM 359 CA GLU A 23 -0.088 20.325 -14.086 1.00 0.00 C ATOM 360 C GLU A 23 -0.773 20.729 -15.387 1.00 0.00 C ATOM 361 O GLU A 23 -1.373 21.798 -15.458 1.00 0.00 O ATOM 362 CB GLU A 23 1.421 20.589 -14.101 1.00 0.00 C ATOM 363 CG GLU A 23 1.707 22.071 -13.858 1.00 0.00 C ATOM 364 CD GLU A 23 3.200 22.292 -13.667 1.00 0.00 C ATOM 365 OE1 GLU A 23 3.966 21.688 -14.448 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.545 23.045 -12.731 1.00 0.00 O ATOM 0 H GLU A 23 0.425 18.302 -14.123 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.507 20.939 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.909 19.988 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.840 20.284 -15.060 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.349 22.661 -14.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.165 22.414 -12.977 1.00 0.00 H new ATOM 373 N ILE A 24 -0.702 19.853 -16.398 1.00 0.00 N ATOM 374 CA ILE A 24 -1.355 20.049 -17.692 1.00 0.00 C ATOM 375 C ILE A 24 -2.841 20.346 -17.424 1.00 0.00 C ATOM 376 O ILE A 24 -3.401 21.330 -17.922 1.00 0.00 O ATOM 377 CB ILE A 24 -1.105 18.858 -18.689 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.067 19.102 -19.827 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.409 18.291 -19.268 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.385 18.359 -21.132 1.00 0.00 C ATOM 0 H ILE A 24 -0.182 18.978 -16.336 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.915 20.901 -18.211 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.637 18.115 -18.043 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.014 20.171 -20.033 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.919 18.795 -19.477 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.179 17.472 -19.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.037 17.923 -18.457 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.938 19.075 -19.809 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.383 18.580 -21.873 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.409 17.286 -20.943 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.356 18.683 -21.508 1.00 0.00 H new ATOM 392 N GLN A 25 -3.465 19.468 -16.629 1.00 0.00 N ATOM 393 CA GLN A 25 -4.884 19.542 -16.323 1.00 0.00 C ATOM 394 C GLN A 25 -5.241 20.660 -15.348 1.00 0.00 C ATOM 395 O GLN A 25 -6.216 21.375 -15.570 1.00 0.00 O ATOM 396 CB GLN A 25 -5.428 18.146 -15.996 1.00 0.00 C ATOM 397 CG GLN A 25 -5.342 17.814 -14.515 1.00 0.00 C ATOM 398 CD GLN A 25 -5.623 16.339 -14.260 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.655 15.982 -13.700 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.702 15.476 -14.686 1.00 0.00 N ATOM 0 H GLN A 25 -2.989 18.685 -16.181 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.423 19.860 -17.216 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.467 18.081 -16.319 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.870 17.401 -16.564 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.350 18.067 -14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.057 18.423 -13.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.858 15.817 -15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.841 14.474 -14.551 1.00 0.00 H new ATOM 409 N LEU A 26 -4.449 20.816 -14.284 1.00 0.00 N ATOM 410 CA LEU A 26 -4.646 21.848 -13.265 1.00 0.00 C ATOM 411 C LEU A 26 -4.601 23.208 -13.946 1.00 0.00 C ATOM 412 O LEU A 26 -5.528 24.002 -13.808 1.00 0.00 O ATOM 413 CB LEU A 26 -3.582 21.698 -12.161 1.00 0.00 C ATOM 414 CG LEU A 26 -3.478 22.710 -11.015 1.00 0.00 C ATOM 415 CD1 LEU A 26 -3.242 24.164 -11.423 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.701 22.589 -10.125 1.00 0.00 C ATOM 0 H LEU A 26 -3.641 20.220 -14.104 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.617 21.744 -12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.730 20.718 -11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.611 21.677 -12.656 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.570 22.443 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.186 24.788 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.307 24.239 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.065 24.504 -12.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.630 23.308 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.598 22.792 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.755 21.580 -9.716 1.00 0.00 H new ATOM 428 N GLY A 27 -3.525 23.469 -14.693 1.00 0.00 N ATOM 429 CA GLY A 27 -3.351 24.711 -15.417 1.00 0.00 C ATOM 430 C GLY A 27 -4.506 24.932 -16.362 1.00 0.00 C ATOM 431 O GLY A 27 -5.273 25.854 -16.108 1.00 0.00 O ATOM 0 H GLY A 27 -2.751 22.815 -14.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.282 25.542 -14.715 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.415 24.687 -15.975 1.00 0.00 H new ATOM 435 N GLU A 28 -4.659 24.118 -17.423 1.00 0.00 N ATOM 436 CA GLU A 28 -5.803 24.332 -18.312 1.00 0.00 C ATOM 437 C GLU A 28 -7.133 24.562 -17.561 1.00 0.00 C ATOM 438 O GLU A 28 -7.948 25.378 -17.984 1.00 0.00 O ATOM 439 CB GLU A 28 -5.924 23.226 -19.360 1.00 0.00 C ATOM 440 CG GLU A 28 -6.699 23.761 -20.576 1.00 0.00 C ATOM 441 CD GLU A 28 -5.788 24.250 -21.693 1.00 0.00 C ATOM 442 OE1 GLU A 28 -5.019 25.200 -21.435 1.00 0.00 O ATOM 443 OE2 GLU A 28 -5.898 23.666 -22.793 1.00 0.00 O ATOM 0 H GLU A 28 -4.039 23.348 -17.673 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.597 25.264 -18.839 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.934 22.888 -19.665 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.439 22.363 -18.937 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.347 22.974 -20.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.345 24.579 -20.257 1.00 0.00 H new ATOM 450 N GLU A 29 -7.347 23.881 -16.431 1.00 0.00 N ATOM 451 CA GLU A 29 -8.546 24.064 -15.614 1.00 0.00 C ATOM 452 C GLU A 29 -8.580 25.466 -14.988 1.00 0.00 C ATOM 453 O GLU A 29 -9.616 26.121 -15.019 1.00 0.00 O ATOM 454 CB GLU A 29 -8.691 22.938 -14.587 1.00 0.00 C ATOM 455 CG GLU A 29 -9.898 23.123 -13.667 1.00 0.00 C ATOM 456 CD GLU A 29 -10.172 21.836 -12.899 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.854 20.963 -13.479 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.671 21.739 -11.759 1.00 0.00 O ATOM 0 H GLU A 29 -6.695 23.190 -16.060 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.421 23.999 -16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.782 21.986 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.785 22.885 -13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.712 23.940 -12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.774 23.399 -14.254 1.00 0.00 H new ATOM 465 N LEU A 30 -7.470 25.974 -14.441 1.00 0.00 N ATOM 466 CA LEU A 30 -7.453 27.331 -13.901 1.00 0.00 C ATOM 467 C LEU A 30 -7.663 28.331 -15.036 1.00 0.00 C ATOM 468 O LEU A 30 -8.329 29.348 -14.851 1.00 0.00 O ATOM 469 CB LEU A 30 -6.151 27.639 -13.150 1.00 0.00 C ATOM 470 CG LEU A 30 -6.051 27.080 -11.724 1.00 0.00 C ATOM 471 CD1 LEU A 30 -4.665 27.434 -11.173 1.00 0.00 C ATOM 472 CD2 LEU A 30 -7.108 27.693 -10.791 1.00 0.00 C ATOM 0 H LEU A 30 -6.586 25.472 -14.363 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.264 27.416 -13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.317 27.247 -13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.028 28.721 -13.105 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.215 26.003 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.567 27.048 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.897 26.989 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.544 28.517 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.001 27.269 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.969 28.773 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.104 27.472 -11.174 1.00 0.00 H new ATOM 484 N LEU A 31 -7.131 28.039 -16.223 1.00 0.00 N ATOM 485 CA LEU A 31 -7.336 28.887 -17.396 1.00 0.00 C ATOM 486 C LEU A 31 -8.806 28.834 -17.773 1.00 0.00 C ATOM 487 O LEU A 31 -9.368 29.838 -18.200 1.00 0.00 O ATOM 488 CB LEU A 31 -6.403 28.453 -18.509 1.00 0.00 C ATOM 489 CG LEU A 31 -4.957 28.877 -18.212 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.566 29.055 -16.737 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.052 27.813 -18.802 1.00 0.00 C ATOM 0 H LEU A 31 -6.552 27.217 -16.397 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.091 29.928 -17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.451 27.371 -18.627 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.728 28.892 -19.452 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.853 29.871 -18.647 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.520 29.355 -16.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.193 29.823 -16.285 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.707 28.113 -16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.011 28.075 -18.613 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.273 26.851 -18.341 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.220 27.747 -19.877 1.00 0.00 H new ATOM 503 N ALA A 32 -9.440 27.684 -17.538 1.00 0.00 N ATOM 504 CA ALA A 32 -10.877 27.548 -17.721 1.00 0.00 C ATOM 505 C ALA A 32 -11.618 28.582 -16.860 1.00 0.00 C ATOM 506 O ALA A 32 -12.746 28.947 -17.181 1.00 0.00 O ATOM 507 CB ALA A 32 -11.364 26.125 -17.418 1.00 0.00 C ATOM 0 H ALA A 32 -8.975 26.834 -17.220 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.100 27.739 -18.771 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.442 26.070 -17.568 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.868 25.421 -18.086 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.128 25.872 -16.384 1.00 0.00 H new ATOM 513 N GLN A 33 -10.973 29.067 -15.786 1.00 0.00 N ATOM 514 CA GLN A 33 -11.499 30.089 -14.895 1.00 0.00 C ATOM 515 C GLN A 33 -11.043 31.457 -15.415 1.00 0.00 C ATOM 516 O GLN A 33 -11.792 32.428 -15.355 1.00 0.00 O ATOM 517 CB GLN A 33 -11.036 29.808 -13.456 1.00 0.00 C ATOM 518 CG GLN A 33 -12.206 29.893 -12.472 1.00 0.00 C ATOM 519 CD GLN A 33 -12.794 31.301 -12.381 1.00 0.00 C ATOM 520 OE1 GLN A 33 -13.958 31.513 -12.705 1.00 0.00 O ATOM 521 NE2 GLN A 33 -11.995 32.270 -11.933 1.00 0.00 N ATOM 0 H GLN A 33 -10.045 28.743 -15.515 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.589 30.081 -14.877 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.584 28.817 -13.403 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.266 30.525 -13.172 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.986 29.196 -12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.869 29.579 -11.484 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.032 32.057 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.347 33.224 -11.851 1.00 0.00 H new ATOM 530 N GLY A 34 -9.816 31.502 -15.948 1.00 0.00 N ATOM 531 CA GLY A 34 -9.185 32.664 -16.559 1.00 0.00 C ATOM 532 C GLY A 34 -7.789 32.980 -16.021 1.00 0.00 C ATOM 533 O GLY A 34 -7.288 34.068 -16.297 1.00 0.00 O ATOM 0 H GLY A 34 -9.210 30.682 -15.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.119 32.503 -17.635 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.825 33.533 -16.406 1.00 0.00 H new ATOM 537 N ASP A 35 -7.145 32.079 -15.262 1.00 0.00 N ATOM 538 CA ASP A 35 -5.823 32.384 -14.684 1.00 0.00 C ATOM 539 C ASP A 35 -4.633 32.224 -15.653 1.00 0.00 C ATOM 540 O ASP A 35 -3.617 31.616 -15.320 1.00 0.00 O ATOM 541 CB ASP A 35 -5.618 31.587 -13.387 1.00 0.00 C ATOM 542 CG ASP A 35 -4.590 32.215 -12.447 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.948 33.212 -12.847 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.447 31.666 -11.332 1.00 0.00 O ATOM 0 H ASP A 35 -7.507 31.152 -15.037 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.834 33.450 -14.458 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.572 31.502 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.300 30.575 -13.637 1.00 0.00 H new ATOM 549 N TYR A 36 -4.743 32.774 -16.864 1.00 0.00 N ATOM 550 CA TYR A 36 -3.740 32.731 -17.925 1.00 0.00 C ATOM 551 C TYR A 36 -2.357 33.201 -17.479 1.00 0.00 C ATOM 552 O TYR A 36 -1.349 32.652 -17.926 1.00 0.00 O ATOM 553 CB TYR A 36 -4.210 33.543 -19.135 1.00 0.00 C ATOM 554 CG TYR A 36 -5.423 33.111 -19.954 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.328 32.115 -19.530 1.00 0.00 C ATOM 556 CD2 TYR A 36 -5.632 33.739 -21.199 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.420 31.763 -20.345 1.00 0.00 C ATOM 558 CE2 TYR A 36 -6.721 33.385 -22.010 1.00 0.00 C ATOM 559 CZ TYR A 36 -7.618 32.394 -21.584 1.00 0.00 C ATOM 560 OH TYR A 36 -8.677 32.044 -22.369 1.00 0.00 O ATOM 0 H TYR A 36 -5.579 33.288 -17.144 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.633 31.682 -18.201 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.409 34.555 -18.782 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.367 33.605 -19.823 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.183 31.623 -18.580 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.945 34.502 -21.533 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.111 31.002 -20.015 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.868 33.875 -22.961 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.666 32.578 -23.190 1.00 0.00 H new ATOM 570 N GLU A 37 -2.302 34.201 -16.599 1.00 0.00 N ATOM 571 CA GLU A 37 -1.038 34.718 -16.083 1.00 0.00 C ATOM 572 C GLU A 37 -0.248 33.603 -15.409 1.00 0.00 C ATOM 573 O GLU A 37 0.969 33.509 -15.573 1.00 0.00 O ATOM 574 CB GLU A 37 -1.257 35.925 -15.158 1.00 0.00 C ATOM 575 CG GLU A 37 -1.442 37.217 -15.967 1.00 0.00 C ATOM 576 CD GLU A 37 -0.106 37.743 -16.487 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.349 37.263 -17.547 1.00 0.00 O ATOM 578 OE2 GLU A 37 0.502 38.577 -15.785 1.00 0.00 O ATOM 0 H GLU A 37 -3.127 34.671 -16.227 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.444 35.082 -16.921 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.135 35.754 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.405 36.032 -14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.113 37.030 -16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.915 37.975 -15.343 1.00 0.00 H new ATOM 585 N LYS A 38 -0.960 32.741 -14.683 1.00 0.00 N ATOM 586 CA LYS A 38 -0.365 31.577 -14.044 1.00 0.00 C ATOM 587 C LYS A 38 -0.237 30.468 -15.073 1.00 0.00 C ATOM 588 O LYS A 38 0.693 29.676 -14.986 1.00 0.00 O ATOM 589 CB LYS A 38 -1.195 31.106 -12.839 1.00 0.00 C ATOM 590 CG LYS A 38 -0.846 31.826 -11.525 1.00 0.00 C ATOM 591 CD LYS A 38 -0.160 30.900 -10.504 1.00 0.00 C ATOM 592 CE LYS A 38 1.092 30.147 -10.988 1.00 0.00 C ATOM 593 NZ LYS A 38 2.209 31.041 -11.337 1.00 0.00 N ATOM 0 H LYS A 38 -1.963 32.833 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 38 0.620 31.847 -13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.252 31.258 -13.056 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.048 30.034 -12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.191 32.670 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.757 32.233 -11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.116 31.497 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.890 30.165 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.417 29.457 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.832 29.545 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.867 30.543 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.840 31.887 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.710 31.325 -10.471 1.00 0.00 H new ATOM 607 N GLY A 39 -1.144 30.406 -16.050 1.00 0.00 N ATOM 608 CA GLY A 39 -1.103 29.406 -17.084 1.00 0.00 C ATOM 609 C GLY A 39 0.228 29.356 -17.809 1.00 0.00 C ATOM 610 O GLY A 39 0.763 28.284 -18.081 1.00 0.00 O ATOM 0 H GLY A 39 -1.925 31.057 -16.134 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.308 28.429 -16.645 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.896 29.605 -17.805 1.00 0.00 H new ATOM 614 N VAL A 40 0.765 30.532 -18.123 1.00 0.00 N ATOM 615 CA VAL A 40 2.040 30.618 -18.819 1.00 0.00 C ATOM 616 C VAL A 40 3.116 29.867 -18.026 1.00 0.00 C ATOM 617 O VAL A 40 3.901 29.110 -18.591 1.00 0.00 O ATOM 618 CB VAL A 40 2.377 32.100 -19.106 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.856 32.310 -19.441 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.507 32.621 -20.266 1.00 0.00 C ATOM 0 H VAL A 40 0.338 31.433 -17.907 1.00 0.00 H new ATOM 0 HA VAL A 40 1.988 30.127 -19.791 1.00 0.00 H new ATOM 0 HB VAL A 40 2.164 32.660 -18.195 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.039 33.367 -19.634 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.469 31.983 -18.601 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.114 31.730 -20.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.750 33.665 -20.462 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.701 32.029 -21.160 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.454 32.538 -19.997 1.00 0.00 H new ATOM 630 N ASP A 41 3.120 30.066 -16.708 1.00 0.00 N ATOM 631 CA ASP A 41 4.047 29.446 -15.771 1.00 0.00 C ATOM 632 C ASP A 41 3.760 27.950 -15.666 1.00 0.00 C ATOM 633 O ASP A 41 4.675 27.132 -15.693 1.00 0.00 O ATOM 634 CB ASP A 41 3.965 30.171 -14.413 1.00 0.00 C ATOM 635 CG ASP A 41 4.780 29.501 -13.315 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.948 29.153 -13.586 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.215 29.393 -12.204 1.00 0.00 O ATOM 0 H ASP A 41 2.452 30.686 -16.250 1.00 0.00 H new ATOM 0 HA ASP A 41 5.072 29.544 -16.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.312 31.197 -14.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.922 30.222 -14.100 1.00 0.00 H new ATOM 642 N HIS A 42 2.478 27.594 -15.562 1.00 0.00 N ATOM 643 CA HIS A 42 2.024 26.215 -15.455 1.00 0.00 C ATOM 644 C HIS A 42 2.557 25.401 -16.609 1.00 0.00 C ATOM 645 O HIS A 42 3.009 24.269 -16.437 1.00 0.00 O ATOM 646 CB HIS A 42 0.475 26.098 -15.415 1.00 0.00 C ATOM 647 CG HIS A 42 -0.185 25.456 -16.633 1.00 0.00 C ATOM 648 ND1 HIS A 42 -0.082 24.096 -16.897 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.955 25.938 -17.674 1.00 0.00 C ATOM 650 CE1 HIS A 42 -0.766 23.855 -18.029 1.00 0.00 C ATOM 651 NE2 HIS A 42 -1.323 24.936 -18.552 1.00 0.00 N ATOM 0 H HIS A 42 1.716 28.272 -15.550 1.00 0.00 H new ATOM 0 HA HIS A 42 2.409 25.829 -14.512 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.198 25.522 -14.532 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.059 27.097 -15.287 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.236 26.975 -17.788 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.853 22.873 -18.470 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.887 25.011 -19.398 1.00 0.00 H new ATOM 659 N LEU A 43 2.459 25.989 -17.799 1.00 0.00 N ATOM 660 CA LEU A 43 2.876 25.266 -18.967 1.00 0.00 C ATOM 661 C LEU A 43 4.391 25.231 -18.964 1.00 0.00 C ATOM 662 O LEU A 43 4.955 24.178 -19.234 1.00 0.00 O ATOM 663 CB LEU A 43 2.226 25.841 -20.233 1.00 0.00 C ATOM 664 CG LEU A 43 1.981 24.730 -21.267 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.742 23.869 -20.967 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.714 25.362 -22.634 1.00 0.00 C ATOM 0 H LEU A 43 2.106 26.931 -17.965 1.00 0.00 H new ATOM 0 HA LEU A 43 2.531 24.232 -18.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.282 26.322 -19.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.869 26.609 -20.662 1.00 0.00 H new ATOM 0 HG LEU A 43 2.873 24.104 -21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.633 23.107 -21.739 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.860 23.388 -19.996 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.146 24.501 -20.954 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.540 24.577 -23.370 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.835 26.004 -22.573 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.577 25.956 -22.935 1.00 0.00 H new ATOM 678 N THR A 44 5.050 26.348 -18.621 1.00 0.00 N ATOM 679 CA THR A 44 6.513 26.377 -18.577 1.00 0.00 C ATOM 680 C THR A 44 7.046 25.228 -17.712 1.00 0.00 C ATOM 681 O THR A 44 8.062 24.601 -18.020 1.00 0.00 O ATOM 682 CB THR A 44 7.057 27.730 -18.094 1.00 0.00 C ATOM 683 OG1 THR A 44 6.625 28.756 -18.960 1.00 0.00 O ATOM 684 CG2 THR A 44 8.589 27.722 -18.110 1.00 0.00 C ATOM 0 H THR A 44 4.598 27.229 -18.374 1.00 0.00 H new ATOM 0 HA THR A 44 6.871 26.242 -19.598 1.00 0.00 H new ATOM 0 HB THR A 44 6.691 27.901 -17.082 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.665 28.907 -18.835 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.962 28.687 -17.766 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.956 26.935 -17.451 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.941 27.539 -19.125 1.00 0.00 H new ATOM 692 N ASN A 45 6.331 24.953 -16.620 1.00 0.00 N ATOM 693 CA ASN A 45 6.695 23.895 -15.690 1.00 0.00 C ATOM 694 C ASN A 45 6.470 22.529 -16.338 1.00 0.00 C ATOM 695 O ASN A 45 7.310 21.631 -16.212 1.00 0.00 O ATOM 696 CB ASN A 45 5.969 24.041 -14.350 1.00 0.00 C ATOM 697 CG ASN A 45 6.660 25.033 -13.418 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.453 24.642 -12.566 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.375 26.323 -13.579 1.00 0.00 N ATOM 0 H ASN A 45 5.485 25.460 -16.360 1.00 0.00 H new ATOM 0 HA ASN A 45 7.757 23.982 -15.461 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.945 24.368 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.913 23.068 -13.863 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.821 27.022 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.711 26.613 -14.297 1.00 0.00 H new ATOM 706 N ALA A 46 5.354 22.374 -17.062 1.00 0.00 N ATOM 707 CA ALA A 46 5.076 21.121 -17.733 1.00 0.00 C ATOM 708 C ALA A 46 6.234 20.825 -18.713 1.00 0.00 C ATOM 709 O ALA A 46 6.706 19.690 -18.794 1.00 0.00 O ATOM 710 CB ALA A 46 3.636 21.106 -18.268 1.00 0.00 C ATOM 0 H ALA A 46 4.645 23.096 -17.191 1.00 0.00 H new ATOM 0 HA ALA A 46 5.071 20.262 -17.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.444 20.157 -18.769 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.939 21.226 -17.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.502 21.924 -18.976 1.00 0.00 H new ATOM 716 N ILE A 47 6.753 21.848 -19.413 1.00 0.00 N ATOM 717 CA ILE A 47 7.916 21.690 -20.295 1.00 0.00 C ATOM 718 C ILE A 47 9.148 21.272 -19.494 1.00 0.00 C ATOM 719 O ILE A 47 9.926 20.433 -19.944 1.00 0.00 O ATOM 720 CB ILE A 47 8.249 22.970 -21.108 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.267 23.219 -22.276 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.701 22.956 -21.634 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.958 23.842 -21.810 1.00 0.00 C ATOM 0 H ILE A 47 6.381 22.797 -19.383 1.00 0.00 H new ATOM 0 HA ILE A 47 7.645 20.910 -21.007 1.00 0.00 H new ATOM 0 HB ILE A 47 8.138 23.796 -20.405 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.737 23.874 -23.009 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.058 22.275 -22.779 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.893 23.869 -22.197 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.392 22.896 -20.793 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.844 22.092 -22.283 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.303 23.997 -22.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.471 23.176 -21.097 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.161 24.800 -21.331 1.00 0.00 H new ATOM 735 N ALA A 48 9.332 21.887 -18.326 1.00 0.00 N ATOM 736 CA ALA A 48 10.480 21.669 -17.452 1.00 0.00 C ATOM 737 C ALA A 48 10.622 20.217 -17.050 1.00 0.00 C ATOM 738 O ALA A 48 11.737 19.726 -16.888 1.00 0.00 O ATOM 739 CB ALA A 48 10.417 22.530 -16.187 1.00 0.00 C ATOM 0 H ALA A 48 8.669 22.567 -17.954 1.00 0.00 H new ATOM 0 HA ALA A 48 11.351 21.963 -18.037 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.293 22.333 -15.569 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.399 23.584 -16.465 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.514 22.287 -15.626 1.00 0.00 H new ATOM 745 N VAL A 49 9.484 19.547 -16.888 1.00 0.00 N ATOM 746 CA VAL A 49 9.467 18.166 -16.456 1.00 0.00 C ATOM 747 C VAL A 49 9.283 17.230 -17.649 1.00 0.00 C ATOM 748 O VAL A 49 9.558 16.038 -17.524 1.00 0.00 O ATOM 749 CB VAL A 49 8.393 17.992 -15.374 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.517 19.088 -14.301 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.969 17.966 -15.932 1.00 0.00 C ATOM 0 H VAL A 49 8.560 19.947 -17.052 1.00 0.00 H new ATOM 0 HA VAL A 49 10.425 17.896 -16.012 1.00 0.00 H new ATOM 0 HB VAL A 49 8.575 17.016 -14.924 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.746 18.945 -13.544 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.500 19.030 -13.833 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.393 20.067 -14.765 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.260 17.840 -15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.764 18.903 -16.449 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.867 17.136 -16.631 1.00 0.00 H new ATOM 761 N CYS A 50 8.841 17.753 -18.802 1.00 0.00 N ATOM 762 CA CYS A 50 8.662 16.923 -19.989 1.00 0.00 C ATOM 763 C CYS A 50 9.978 16.797 -20.758 1.00 0.00 C ATOM 764 O CYS A 50 10.423 15.686 -21.041 1.00 0.00 O ATOM 765 CB CYS A 50 7.540 17.484 -20.858 1.00 0.00 C ATOM 766 SG CYS A 50 7.422 16.569 -22.412 1.00 0.00 S ATOM 0 H CYS A 50 8.605 18.737 -18.932 1.00 0.00 H new ATOM 0 HA CYS A 50 8.370 15.918 -19.684 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.593 17.425 -20.322 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.724 18.538 -21.064 1.00 0.00 H new ATOM 0 HG CYS A 50 6.460 17.062 -23.134 1.00 0.00 H new ATOM 772 N GLY A 51 10.598 17.929 -21.105 1.00 0.00 N ATOM 773 CA GLY A 51 11.854 17.946 -21.846 1.00 0.00 C ATOM 774 C GLY A 51 11.644 17.782 -23.353 1.00 0.00 C ATOM 775 O GLY A 51 12.610 17.633 -24.099 1.00 0.00 O ATOM 0 H GLY A 51 10.240 18.857 -20.878 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.373 18.885 -21.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.498 17.145 -21.482 1.00 0.00 H new ATOM 779 N GLN A 52 10.386 17.829 -23.804 1.00 0.00 N ATOM 780 CA GLN A 52 9.982 17.724 -25.199 1.00 0.00 C ATOM 781 C GLN A 52 8.977 18.858 -25.426 1.00 0.00 C ATOM 782 O GLN A 52 7.820 18.599 -25.760 1.00 0.00 O ATOM 783 CB GLN A 52 9.427 16.309 -25.451 1.00 0.00 C ATOM 784 CG GLN A 52 9.763 15.802 -26.859 1.00 0.00 C ATOM 785 CD GLN A 52 11.220 15.350 -26.969 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.561 14.250 -26.545 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.086 16.183 -27.546 1.00 0.00 N ATOM 0 H GLN A 52 9.592 17.946 -23.175 1.00 0.00 H new ATOM 0 HA GLN A 52 10.798 17.841 -25.913 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.837 15.622 -24.711 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.345 16.315 -25.316 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.105 14.971 -27.112 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.572 16.592 -27.585 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.770 17.091 -27.888 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.065 15.913 -27.646 1.00 0.00 H new ATOM 796 N PRO A 53 9.401 20.126 -25.232 1.00 0.00 N ATOM 797 CA PRO A 53 8.531 21.275 -25.386 1.00 0.00 C ATOM 798 C PRO A 53 7.761 21.271 -26.691 1.00 0.00 C ATOM 799 O PRO A 53 6.542 21.335 -26.675 1.00 0.00 O ATOM 800 CB PRO A 53 9.418 22.524 -25.290 1.00 0.00 C ATOM 801 CG PRO A 53 10.842 21.996 -25.435 1.00 0.00 C ATOM 802 CD PRO A 53 10.726 20.598 -24.840 1.00 0.00 C ATOM 0 HA PRO A 53 7.773 21.254 -24.603 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.179 23.241 -26.075 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.280 23.036 -24.338 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.163 21.970 -26.476 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.562 22.611 -24.894 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.507 19.941 -25.222 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.831 20.621 -23.755 1.00 0.00 H new ATOM 810 N GLN A 54 8.490 21.217 -27.801 1.00 0.00 N ATOM 811 CA GLN A 54 7.942 21.274 -29.148 1.00 0.00 C ATOM 812 C GLN A 54 6.897 20.188 -29.377 1.00 0.00 C ATOM 813 O GLN A 54 5.842 20.466 -29.946 1.00 0.00 O ATOM 814 CB GLN A 54 9.081 21.230 -30.182 1.00 0.00 C ATOM 815 CG GLN A 54 10.164 22.307 -29.964 1.00 0.00 C ATOM 816 CD GLN A 54 11.205 22.283 -31.081 1.00 0.00 C ATOM 817 OE1 GLN A 54 12.322 21.816 -30.882 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.844 22.789 -32.260 1.00 0.00 N ATOM 0 H GLN A 54 9.506 21.130 -27.786 1.00 0.00 H new ATOM 0 HA GLN A 54 7.418 22.222 -29.274 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.549 20.246 -30.151 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.658 21.350 -31.179 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.697 23.291 -29.920 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.654 22.144 -29.004 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.906 23.168 -32.386 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.506 22.797 -33.036 1.00 0.00 H new ATOM 827 N GLN A 55 7.176 18.965 -28.914 1.00 0.00 N ATOM 828 CA GLN A 55 6.226 17.871 -29.047 1.00 0.00 C ATOM 829 C GLN A 55 4.938 18.248 -28.332 1.00 0.00 C ATOM 830 O GLN A 55 3.850 18.132 -28.894 1.00 0.00 O ATOM 831 CB GLN A 55 6.816 16.545 -28.533 1.00 0.00 C ATOM 832 CG GLN A 55 5.845 15.361 -28.654 1.00 0.00 C ATOM 833 CD GLN A 55 5.411 15.111 -30.093 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.236 15.250 -30.424 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.354 14.750 -30.961 1.00 0.00 N ATOM 0 H GLN A 55 8.048 18.715 -28.448 1.00 0.00 H new ATOM 0 HA GLN A 55 6.003 17.708 -30.101 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.725 16.319 -29.091 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.104 16.664 -27.489 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.320 14.463 -28.259 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.965 15.552 -28.040 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.320 14.644 -30.650 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.111 14.579 -31.937 1.00 0.00 H new ATOM 844 N LEU A 56 5.064 18.722 -27.093 1.00 0.00 N ATOM 845 CA LEU A 56 3.900 19.126 -26.341 1.00 0.00 C ATOM 846 C LEU A 56 3.207 20.324 -27.002 1.00 0.00 C ATOM 847 O LEU A 56 1.984 20.379 -27.029 1.00 0.00 O ATOM 848 CB LEU A 56 4.226 19.358 -24.857 1.00 0.00 C ATOM 849 CG LEU A 56 2.965 19.552 -23.991 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.106 18.272 -23.860 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.418 20.071 -22.625 1.00 0.00 C ATOM 0 H LEU A 56 5.952 18.831 -26.603 1.00 0.00 H new ATOM 0 HA LEU A 56 3.185 18.303 -26.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.794 18.509 -24.478 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.864 20.237 -24.763 1.00 0.00 H new ATOM 0 HG LEU A 56 2.309 20.273 -24.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.235 18.480 -23.238 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.777 17.952 -24.849 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.699 17.481 -23.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.548 20.220 -21.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.088 19.345 -22.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.942 21.019 -22.751 1.00 0.00 H new ATOM 863 N LEU A 57 3.945 21.294 -27.549 1.00 0.00 N ATOM 864 CA LEU A 57 3.294 22.443 -28.169 1.00 0.00 C ATOM 865 C LEU A 57 2.463 22.023 -29.380 1.00 0.00 C ATOM 866 O LEU A 57 1.363 22.547 -29.558 1.00 0.00 O ATOM 867 CB LEU A 57 4.255 23.611 -28.449 1.00 0.00 C ATOM 868 CG LEU A 57 5.116 24.098 -27.261 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.529 25.554 -27.481 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.471 23.993 -25.867 1.00 0.00 C ATOM 0 H LEU A 57 4.965 21.306 -27.574 1.00 0.00 H new ATOM 0 HA LEU A 57 2.593 22.846 -27.438 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.925 23.315 -29.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.669 24.455 -28.814 1.00 0.00 H new ATOM 0 HG LEU A 57 5.965 23.414 -27.253 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.135 25.891 -26.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.108 25.633 -28.401 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.638 26.177 -27.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.168 24.363 -25.115 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.559 24.590 -25.842 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.229 22.951 -25.656 1.00 0.00 H new ATOM 882 N GLN A 58 2.931 21.066 -30.196 1.00 0.00 N ATOM 883 CA GLN A 58 2.102 20.624 -31.312 1.00 0.00 C ATOM 884 C GLN A 58 0.886 19.868 -30.765 1.00 0.00 C ATOM 885 O GLN A 58 -0.225 20.034 -31.267 1.00 0.00 O ATOM 886 CB GLN A 58 2.886 19.876 -32.398 1.00 0.00 C ATOM 887 CG GLN A 58 3.554 18.577 -31.945 1.00 0.00 C ATOM 888 CD GLN A 58 4.201 17.838 -33.113 1.00 0.00 C ATOM 889 OE1 GLN A 58 4.527 18.432 -34.136 1.00 0.00 O ATOM 890 NE2 GLN A 58 4.389 16.529 -32.970 1.00 0.00 N ATOM 0 H GLN A 58 3.837 20.605 -30.108 1.00 0.00 H new ATOM 0 HA GLN A 58 1.733 21.499 -31.847 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.208 19.649 -33.221 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.654 20.542 -32.792 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.310 18.800 -31.192 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.813 17.932 -31.472 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.107 16.065 -32.107 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.815 15.990 -33.724 1.00 0.00 H new ATOM 899 N VAL A 59 1.088 19.063 -29.712 1.00 0.00 N ATOM 900 CA VAL A 59 0.019 18.310 -29.070 1.00 0.00 C ATOM 901 C VAL A 59 -1.053 19.244 -28.502 1.00 0.00 C ATOM 902 O VAL A 59 -2.240 18.932 -28.554 1.00 0.00 O ATOM 903 CB VAL A 59 0.571 17.275 -28.066 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.378 17.579 -26.572 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.046 15.921 -28.294 1.00 0.00 C ATOM 0 H VAL A 59 2.004 18.920 -29.286 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.491 17.714 -29.827 1.00 0.00 H new ATOM 0 HB VAL A 59 1.641 17.313 -28.270 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.811 16.774 -25.978 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.873 18.518 -26.325 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.686 17.661 -26.352 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.360 15.210 -27.574 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.127 15.988 -28.168 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.182 15.583 -29.305 1.00 0.00 H new ATOM 915 N LEU A 60 -0.634 20.404 -27.989 1.00 0.00 N ATOM 916 CA LEU A 60 -1.529 21.403 -27.422 1.00 0.00 C ATOM 917 C LEU A 60 -2.191 22.197 -28.542 1.00 0.00 C ATOM 918 O LEU A 60 -3.324 22.627 -28.372 1.00 0.00 O ATOM 919 CB LEU A 60 -0.721 22.400 -26.571 1.00 0.00 C ATOM 920 CG LEU A 60 -0.553 22.107 -25.071 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.704 22.713 -24.255 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.474 20.631 -24.690 1.00 0.00 C ATOM 0 H LEU A 60 0.349 20.674 -27.958 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.277 20.891 -26.816 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.274 22.480 -27.008 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.192 23.378 -26.668 1.00 0.00 H new ATOM 0 HG LEU A 60 0.410 22.562 -24.839 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.558 22.489 -23.198 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.722 23.793 -24.398 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.650 22.287 -24.589 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.356 20.540 -23.610 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.389 20.126 -24.999 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.380 20.172 -25.188 1.00 0.00 H new ATOM 934 N GLN A 61 -1.520 22.404 -29.678 1.00 0.00 N ATOM 935 CA GLN A 61 -2.104 23.176 -30.769 1.00 0.00 C ATOM 936 C GLN A 61 -3.167 22.359 -31.501 1.00 0.00 C ATOM 937 O GLN A 61 -4.177 22.911 -31.935 1.00 0.00 O ATOM 938 CB GLN A 61 -1.000 23.707 -31.701 1.00 0.00 C ATOM 939 CG GLN A 61 -1.521 24.378 -32.983 1.00 0.00 C ATOM 940 CD GLN A 61 -1.920 23.383 -34.074 1.00 0.00 C ATOM 941 OE1 GLN A 61 -1.278 22.351 -34.252 1.00 0.00 O ATOM 942 NE2 GLN A 61 -2.988 23.681 -34.814 1.00 0.00 N ATOM 0 H GLN A 61 -0.581 22.050 -29.862 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.615 24.048 -30.361 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.391 24.425 -31.151 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.346 22.880 -31.978 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.383 24.998 -32.735 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.751 25.044 -33.374 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.502 24.546 -34.643 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.292 23.044 -35.551 1.00 0.00 H new ATOM 951 N GLN A 62 -2.932 21.054 -31.654 1.00 0.00 N ATOM 952 CA GLN A 62 -3.838 20.171 -32.372 1.00 0.00 C ATOM 953 C GLN A 62 -5.045 19.795 -31.523 1.00 0.00 C ATOM 954 O GLN A 62 -6.119 19.546 -32.067 1.00 0.00 O ATOM 955 CB GLN A 62 -3.079 18.960 -32.948 1.00 0.00 C ATOM 956 CG GLN A 62 -3.110 17.657 -32.129 1.00 0.00 C ATOM 957 CD GLN A 62 -4.453 16.926 -32.129 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.039 16.691 -31.073 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.942 16.545 -33.309 1.00 0.00 N ATOM 0 H GLN A 62 -2.106 20.585 -31.281 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.246 20.709 -33.228 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.484 18.747 -33.937 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.037 19.248 -33.085 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.346 16.983 -32.517 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.838 17.887 -31.099 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.430 16.756 -34.165 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.828 16.042 -33.355 1.00 0.00 H new ATOM 968 N THR A 63 -4.880 19.753 -30.195 1.00 0.00 N ATOM 969 CA THR A 63 -5.975 19.371 -29.319 1.00 0.00 C ATOM 970 C THR A 63 -6.929 20.549 -29.114 1.00 0.00 C ATOM 971 O THR A 63 -8.134 20.331 -28.978 1.00 0.00 O ATOM 972 CB THR A 63 -5.451 18.670 -28.056 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.471 17.883 -27.472 1.00 0.00 O ATOM 974 CG2 THR A 63 -4.867 19.620 -27.015 1.00 0.00 C ATOM 0 H THR A 63 -4.008 19.977 -29.716 1.00 0.00 H new ATOM 0 HA THR A 63 -6.598 18.608 -29.786 1.00 0.00 H new ATOM 0 HB THR A 63 -4.628 18.037 -28.387 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.345 18.278 -27.674 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.520 19.048 -26.155 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.030 20.166 -27.450 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.634 20.326 -26.696 1.00 0.00 H new ATOM 982 N LEU A 64 -6.419 21.786 -29.142 1.00 0.00 N ATOM 983 CA LEU A 64 -7.259 22.983 -29.028 1.00 0.00 C ATOM 984 C LEU A 64 -6.489 24.244 -29.430 1.00 0.00 C ATOM 985 O LEU A 64 -5.277 24.273 -29.254 1.00 0.00 O ATOM 986 CB LEU A 64 -7.860 23.132 -27.607 1.00 0.00 C ATOM 987 CG LEU A 64 -7.007 23.896 -26.573 1.00 0.00 C ATOM 988 CD1 LEU A 64 -7.889 24.336 -25.404 1.00 0.00 C ATOM 989 CD2 LEU A 64 -5.864 23.032 -26.036 1.00 0.00 C ATOM 0 H LEU A 64 -5.424 21.984 -29.243 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.089 22.858 -29.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.822 23.637 -27.695 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.059 22.135 -27.215 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.577 24.764 -27.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.284 24.875 -24.675 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.682 24.988 -25.771 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.331 23.459 -24.931 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.285 23.604 -25.311 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.274 22.144 -25.554 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.217 22.731 -26.860 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.149 25.306 -29.930 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.476 26.561 -30.245 1.00 0.00 C ATOM 1003 C PRO A 65 -6.055 27.161 -28.892 1.00 0.00 C ATOM 1004 O PRO A 65 -6.931 27.472 -28.088 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.522 27.414 -30.968 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.858 26.888 -30.444 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.579 25.407 -30.184 1.00 0.00 C ATOM 0 HA PRO A 65 -5.592 26.473 -30.877 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.396 28.473 -30.745 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.447 27.305 -32.050 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.164 27.405 -29.534 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.657 27.024 -31.173 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.153 25.046 -29.331 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.867 24.799 -31.042 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.753 27.294 -28.586 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.277 27.767 -27.293 1.00 0.00 C ATOM 1017 C PRO A 66 -3.985 29.277 -27.262 1.00 0.00 C ATOM 1018 O PRO A 66 -2.935 29.701 -27.745 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.023 26.918 -27.078 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.419 26.784 -28.481 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.617 26.935 -29.423 1.00 0.00 C ATOM 0 HA PRO A 66 -5.019 27.656 -26.503 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.329 27.399 -26.389 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.268 25.944 -26.655 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.668 27.552 -28.666 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.928 25.820 -28.613 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.428 27.704 -30.172 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.808 26.006 -29.961 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.862 30.120 -26.681 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.612 31.553 -26.580 1.00 0.00 C ATOM 1031 C PRO A 67 -3.510 31.813 -25.546 1.00 0.00 C ATOM 1032 O PRO A 67 -2.711 32.732 -25.700 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.944 32.173 -26.152 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.604 31.060 -25.341 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.137 29.790 -26.057 1.00 0.00 C ATOM 0 HA PRO A 67 -4.269 31.986 -27.519 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.796 33.073 -25.555 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.550 32.458 -27.012 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.285 31.076 -24.299 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.690 31.149 -25.343 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.024 28.966 -25.353 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.865 29.474 -26.804 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.466 30.987 -24.495 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.479 31.065 -23.428 1.00 0.00 C ATOM 1045 C VAL A 68 -1.083 30.960 -24.034 1.00 0.00 C ATOM 1046 O VAL A 68 -0.233 31.799 -23.762 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.731 29.967 -22.385 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.560 29.926 -21.402 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.035 30.262 -21.638 1.00 0.00 C ATOM 0 H VAL A 68 -4.136 30.229 -24.366 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.562 32.022 -22.913 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.817 29.000 -22.880 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.735 29.147 -20.660 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.638 29.711 -21.943 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.471 30.890 -20.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.214 29.483 -20.897 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.957 31.227 -21.138 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.863 30.286 -22.347 1.00 0.00 H new ATOM 1059 N PHE A 69 -0.868 29.940 -24.868 1.00 0.00 N ATOM 1060 CA PHE A 69 0.386 29.710 -25.585 1.00 0.00 C ATOM 1061 C PHE A 69 0.883 31.005 -26.235 1.00 0.00 C ATOM 1062 O PHE A 69 2.054 31.349 -26.114 1.00 0.00 O ATOM 1063 CB PHE A 69 0.171 28.604 -26.621 1.00 0.00 C ATOM 1064 CG PHE A 69 1.094 28.626 -27.821 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.402 28.117 -27.734 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.629 29.166 -29.036 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.237 28.151 -28.867 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.465 29.197 -30.163 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.770 28.689 -30.078 1.00 0.00 C ATOM 0 H PHE A 69 -1.578 29.235 -25.067 1.00 0.00 H new ATOM 0 HA PHE A 69 1.157 29.389 -24.885 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.280 27.641 -26.122 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.857 28.664 -26.978 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.764 27.703 -26.804 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.375 29.558 -29.101 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.242 27.761 -28.805 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.105 29.611 -31.093 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.416 28.711 -30.943 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.014 31.730 -26.907 1.00 0.00 N ATOM 1080 CA GLN A 70 0.326 32.990 -27.568 1.00 0.00 C ATOM 1081 C GLN A 70 0.892 33.993 -26.558 1.00 0.00 C ATOM 1082 O GLN A 70 1.830 34.729 -26.863 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.885 33.561 -28.323 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.491 34.770 -29.181 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.674 35.290 -29.991 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.645 35.276 -31.218 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.723 35.755 -29.311 1.00 0.00 N ATOM 0 H GLN A 70 -0.993 31.461 -27.008 1.00 0.00 H new ATOM 0 HA GLN A 70 1.102 32.793 -28.307 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.317 32.788 -28.958 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.655 33.855 -27.610 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.111 35.565 -28.539 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.318 34.491 -29.855 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.712 35.751 -28.291 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.536 36.114 -29.811 1.00 0.00 H new ATOM 1096 N MET A 71 0.336 34.009 -25.344 1.00 0.00 N ATOM 1097 CA MET A 71 0.791 34.870 -24.270 1.00 0.00 C ATOM 1098 C MET A 71 2.107 34.320 -23.741 1.00 0.00 C ATOM 1099 O MET A 71 2.983 35.092 -23.388 1.00 0.00 O ATOM 1100 CB MET A 71 -0.240 35.017 -23.151 1.00 0.00 C ATOM 1101 CG MET A 71 -1.600 35.552 -23.629 1.00 0.00 C ATOM 1102 SD MET A 71 -2.373 36.756 -22.512 1.00 0.00 S ATOM 1103 CE MET A 71 -2.365 35.773 -20.999 1.00 0.00 C ATOM 0 H MET A 71 -0.451 33.415 -25.085 1.00 0.00 H new ATOM 0 HA MET A 71 0.935 35.875 -24.666 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.388 34.047 -22.676 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.157 35.688 -22.389 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.470 36.015 -24.607 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.280 34.711 -23.762 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.320 35.887 -20.486 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.210 34.723 -21.248 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.560 36.114 -20.348 1.00 0.00 H new ATOM 1113 N LEU A 72 2.281 32.997 -23.718 1.00 0.00 N ATOM 1114 CA LEU A 72 3.522 32.356 -23.323 1.00 0.00 C ATOM 1115 C LEU A 72 4.636 32.936 -24.180 1.00 0.00 C ATOM 1116 O LEU A 72 5.721 33.229 -23.687 1.00 0.00 O ATOM 1117 CB LEU A 72 3.410 30.839 -23.520 1.00 0.00 C ATOM 1118 CG LEU A 72 4.119 29.978 -22.475 1.00 0.00 C ATOM 1119 CD1 LEU A 72 4.096 28.559 -23.003 1.00 0.00 C ATOM 1120 CD2 LEU A 72 5.583 30.377 -22.233 1.00 0.00 C ATOM 0 H LEU A 72 1.548 32.337 -23.979 1.00 0.00 H new ATOM 0 HA LEU A 72 3.735 32.537 -22.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.354 30.570 -23.529 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.811 30.589 -24.502 1.00 0.00 H new ATOM 0 HG LEU A 72 3.603 30.102 -21.523 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.592 27.898 -22.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.063 28.238 -23.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.616 28.518 -23.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.019 29.721 -21.479 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.144 30.284 -23.163 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.626 31.409 -21.885 1.00 0.00 H new ATOM 1132 N LEU A 73 4.342 33.120 -25.468 1.00 0.00 N ATOM 1133 CA LEU A 73 5.316 33.673 -26.396 1.00 0.00 C ATOM 1134 C LEU A 73 5.567 35.157 -26.181 1.00 0.00 C ATOM 1135 O LEU A 73 6.643 35.646 -26.517 1.00 0.00 O ATOM 1136 CB LEU A 73 4.899 33.490 -27.859 1.00 0.00 C ATOM 1137 CG LEU A 73 4.508 32.083 -28.322 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.237 32.199 -29.817 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.569 31.024 -28.013 1.00 0.00 C ATOM 0 H LEU A 73 3.440 32.894 -25.886 1.00 0.00 H new ATOM 0 HA LEU A 73 6.228 33.113 -26.190 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.055 34.152 -28.051 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.722 33.832 -28.487 1.00 0.00 H new ATOM 0 HG LEU A 73 3.629 31.738 -27.778 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.951 31.224 -30.212 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.428 32.910 -29.986 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.137 32.546 -30.324 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.227 30.052 -28.368 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.501 31.286 -28.514 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.736 30.979 -26.937 1.00 0.00 H new ATOM 1151 N THR A 74 4.576 35.869 -25.646 1.00 0.00 N ATOM 1152 CA THR A 74 4.682 37.301 -25.412 1.00 0.00 C ATOM 1153 C THR A 74 5.287 37.583 -24.040 1.00 0.00 C ATOM 1154 O THR A 74 5.857 38.650 -23.824 1.00 0.00 O ATOM 1155 CB THR A 74 3.374 38.040 -25.734 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.649 39.302 -26.309 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.523 38.289 -24.498 1.00 0.00 C ATOM 0 H THR A 74 3.682 35.467 -25.365 1.00 0.00 H new ATOM 0 HA THR A 74 5.390 37.728 -26.122 1.00 0.00 H new ATOM 0 HB THR A 74 2.829 37.395 -26.424 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.807 39.760 -26.510 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.611 38.814 -24.784 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.264 37.336 -24.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.083 38.896 -23.787 1.00 0.00 H new ATOM 1165 N LYS A 75 5.180 36.624 -23.112 1.00 0.00 N ATOM 1166 CA LYS A 75 5.719 36.768 -21.774 1.00 0.00 C ATOM 1167 C LYS A 75 7.243 36.607 -21.761 1.00 0.00 C ATOM 1168 O LYS A 75 7.895 37.087 -20.838 1.00 0.00 O ATOM 1169 CB LYS A 75 4.988 35.755 -20.893 1.00 0.00 C ATOM 1170 CG LYS A 75 3.558 36.232 -20.579 1.00 0.00 C ATOM 1171 CD LYS A 75 3.408 37.143 -19.354 1.00 0.00 C ATOM 1172 CE LYS A 75 3.629 36.392 -18.034 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.040 37.131 -16.902 1.00 0.00 N ATOM 0 H LYS A 75 4.716 35.731 -23.277 1.00 0.00 H new ATOM 0 HA LYS A 75 5.552 37.771 -21.383 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.951 34.789 -21.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.540 35.610 -19.964 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.173 36.762 -21.450 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.927 35.355 -20.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.122 37.964 -19.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.412 37.586 -19.354 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.183 35.399 -18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.697 36.252 -17.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.816 36.468 -16.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.719 37.841 -16.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.169 37.606 -17.213 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.492 14.211 -25.658 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.280 13.710 -26.274 1.00 0.00 C ATOM 1590 C LEU B 7 -3.472 12.862 -25.312 1.00 0.00 C ATOM 1591 O LEU B 7 -2.914 11.867 -25.739 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.464 14.844 -26.930 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.854 15.994 -26.093 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.810 16.777 -25.200 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.603 15.604 -25.293 1.00 0.00 C ATOM 0 HA LEU B 7 -4.568 13.043 -27.087 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.641 14.372 -27.466 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.109 15.305 -27.678 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.563 16.676 -26.892 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.259 17.553 -24.668 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.585 17.238 -25.813 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.271 16.101 -24.480 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.243 16.469 -24.737 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.851 14.803 -24.597 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.826 15.263 -25.977 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.400 13.234 -24.032 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.585 12.517 -23.064 1.00 0.00 C ATOM 1609 C LEU B 8 -3.000 11.055 -22.879 1.00 0.00 C ATOM 1610 O LEU B 8 -2.210 10.271 -22.359 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.426 13.272 -21.745 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.609 14.591 -21.723 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.221 14.533 -22.382 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.447 15.798 -22.157 1.00 0.00 C ATOM 0 H LEU B 8 -3.902 14.034 -23.646 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.587 12.473 -23.501 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.425 13.499 -21.374 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.967 12.590 -21.029 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.362 14.736 -20.671 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.258 15.509 -22.308 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.392 13.788 -21.874 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.328 14.260 -23.432 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.833 16.698 -22.126 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.811 15.642 -23.173 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.295 15.914 -21.482 1.00 0.00 H new