USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 ASN : amide:sc= -4.8! C(o=-4.8!,f=-6.3!) USER MOD Single : A 21 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.1!) USER MOD Single : A 24 GLN : amide:sc= -0.323 K(o=-0.32,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -7.65! C(o=-7.7!,f=-9.1!) USER MOD Single : A 35 SER OG : rot -92:sc= 0.704 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.177 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -25:sc= -3.39! USER MOD Single : A 55 GLN : amide:sc= -5.65! C(o=-5.6!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -3.310 -3.288 -5.137 1.00 0.00 N ATOM 202 CA ASP A 13 -3.320 -2.028 -5.935 1.00 0.00 C ATOM 203 C ASP A 13 -1.897 -1.502 -6.112 1.00 0.00 C ATOM 204 O ASP A 13 -1.012 -1.799 -5.334 1.00 0.00 O ATOM 205 CB ASP A 13 -4.157 -1.047 -5.113 1.00 0.00 C ATOM 206 CG ASP A 13 -4.706 0.049 -6.029 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.654 -0.225 -6.745 1.00 0.00 O ATOM 208 OD2 ASP A 13 -4.167 1.144 -5.998 1.00 0.00 O ATOM 0 HA ASP A 13 -3.729 -2.175 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.978 -1.573 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.548 -0.605 -4.324 1.00 0.00 H new ATOM 213 N ARG A 14 -1.668 -0.729 -7.135 1.00 0.00 N ATOM 214 CA ARG A 14 -0.302 -0.191 -7.368 1.00 0.00 C ATOM 215 C ARG A 14 0.264 0.403 -6.075 1.00 0.00 C ATOM 216 O ARG A 14 1.462 0.470 -5.883 1.00 0.00 O ATOM 217 CB ARG A 14 -0.479 0.898 -8.425 1.00 0.00 C ATOM 218 CG ARG A 14 -0.762 0.250 -9.782 1.00 0.00 C ATOM 219 CD ARG A 14 0.472 0.379 -10.678 1.00 0.00 C ATOM 220 NE ARG A 14 0.023 -0.091 -12.019 1.00 0.00 N ATOM 221 CZ ARG A 14 0.904 -0.358 -12.945 1.00 0.00 C ATOM 222 NH1 ARG A 14 1.532 0.615 -13.548 1.00 0.00 N ATOM 223 NH2 ARG A 14 1.156 -1.597 -13.268 1.00 0.00 N ATOM 0 H ARG A 14 -2.369 -0.447 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 14 0.394 -0.964 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.300 1.559 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.419 1.512 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.019 -0.801 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.619 0.730 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.825 1.409 -10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.297 -0.226 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.972 -0.204 -12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.334 1.583 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.220 0.407 -14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.665 -2.357 -12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.844 -1.806 -13.991 1.00 0.00 H new ATOM 237 N ILE A 15 -0.590 0.829 -5.185 1.00 0.00 N ATOM 238 CA ILE A 15 -0.099 1.413 -3.905 1.00 0.00 C ATOM 239 C ILE A 15 0.519 0.325 -3.030 1.00 0.00 C ATOM 240 O ILE A 15 1.465 0.560 -2.306 1.00 0.00 O ATOM 241 CB ILE A 15 -1.341 1.996 -3.236 1.00 0.00 C ATOM 242 CG1 ILE A 15 -2.075 2.903 -4.228 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.919 2.812 -2.017 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.074 3.848 -4.897 1.00 0.00 C ATOM 0 H ILE A 15 -1.604 0.798 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 15 0.672 2.167 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.003 1.188 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.581 2.300 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.843 3.478 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.803 3.231 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.393 2.168 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.260 3.621 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.598 4.493 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.588 4.461 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.322 3.265 -5.428 1.00 0.00 H new ATOM 256 N ASP A 16 -0.001 -0.866 -3.095 1.00 0.00 N ATOM 257 CA ASP A 16 0.563 -1.969 -2.272 1.00 0.00 C ATOM 258 C ASP A 16 1.899 -2.427 -2.856 1.00 0.00 C ATOM 259 O ASP A 16 2.923 -2.368 -2.205 1.00 0.00 O ATOM 260 CB ASP A 16 -0.475 -3.090 -2.355 1.00 0.00 C ATOM 261 CG ASP A 16 -1.875 -2.503 -2.174 1.00 0.00 C ATOM 262 OD1 ASP A 16 -2.318 -1.792 -3.061 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.483 -2.776 -1.151 1.00 0.00 O ATOM 0 H ASP A 16 -0.793 -1.124 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 16 0.754 -1.667 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.403 -3.596 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.280 -3.838 -1.586 1.00 0.00 H new ATOM 268 N ARG A 17 1.904 -2.875 -4.081 1.00 0.00 N ATOM 269 CA ARG A 17 3.183 -3.325 -4.697 1.00 0.00 C ATOM 270 C ARG A 17 4.226 -2.224 -4.582 1.00 0.00 C ATOM 271 O ARG A 17 5.402 -2.480 -4.409 1.00 0.00 O ATOM 272 CB ARG A 17 2.853 -3.605 -6.162 1.00 0.00 C ATOM 273 CG ARG A 17 1.973 -2.485 -6.719 1.00 0.00 C ATOM 274 CD ARG A 17 2.041 -2.501 -8.246 1.00 0.00 C ATOM 275 NE ARG A 17 2.578 -1.163 -8.620 1.00 0.00 N ATOM 276 CZ ARG A 17 3.720 -1.069 -9.244 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.927 -1.760 -10.332 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.656 -0.287 -8.781 1.00 0.00 N ATOM 0 H ARG A 17 1.081 -2.949 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 17 3.591 -4.208 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.772 -3.681 -6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.339 -4.562 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.943 -2.618 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.308 -1.520 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.689 -3.301 -8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.057 -2.668 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 17 2.053 -0.320 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.196 -2.373 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.819 -1.687 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.496 0.252 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.548 -0.215 -9.270 1.00 0.00 H new ATOM 292 N ASN A 18 3.804 -1.000 -4.647 1.00 0.00 N ATOM 293 CA ASN A 18 4.765 0.125 -4.506 1.00 0.00 C ATOM 294 C ASN A 18 5.252 0.189 -3.067 1.00 0.00 C ATOM 295 O ASN A 18 6.428 0.341 -2.802 1.00 0.00 O ATOM 296 CB ASN A 18 3.971 1.381 -4.865 1.00 0.00 C ATOM 297 CG ASN A 18 4.925 2.571 -4.984 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.068 2.492 -4.579 1.00 0.00 O ATOM 299 ND2 ASN A 18 4.501 3.681 -5.526 1.00 0.00 N ATOM 0 H ASN A 18 2.832 -0.726 -4.792 1.00 0.00 H new ATOM 0 HA ASN A 18 5.641 0.014 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.440 1.232 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.219 1.579 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.129 4.480 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.542 3.748 -5.866 1.00 0.00 H new ATOM 306 N ILE A 19 4.359 0.036 -2.129 1.00 0.00 N ATOM 307 CA ILE A 19 4.776 0.047 -0.709 1.00 0.00 C ATOM 308 C ILE A 19 5.737 -1.110 -0.459 1.00 0.00 C ATOM 309 O ILE A 19 6.690 -0.991 0.287 1.00 0.00 O ATOM 310 CB ILE A 19 3.488 -0.141 0.090 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.643 1.133 0.009 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.835 -0.428 1.549 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.176 0.791 0.280 1.00 0.00 C ATOM 0 H ILE A 19 3.360 -0.096 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 19 5.288 0.967 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 19 2.923 -0.977 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.997 1.864 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.745 1.588 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.917 -0.563 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.436 -1.335 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.400 0.409 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.574 1.698 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.826 0.075 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.082 0.356 1.275 1.00 0.00 H new ATOM 325 N LEU A 20 5.515 -2.227 -1.106 1.00 0.00 N ATOM 326 CA LEU A 20 6.437 -3.378 -0.933 1.00 0.00 C ATOM 327 C LEU A 20 7.796 -3.030 -1.534 1.00 0.00 C ATOM 328 O LEU A 20 8.829 -3.270 -0.942 1.00 0.00 O ATOM 329 CB LEU A 20 5.789 -4.531 -1.697 1.00 0.00 C ATOM 330 CG LEU A 20 4.729 -5.191 -0.816 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.859 -6.114 -1.670 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.415 -6.008 0.282 1.00 0.00 C ATOM 0 H LEU A 20 4.735 -2.386 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 20 6.597 -3.635 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.335 -4.163 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.545 -5.262 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 20 4.105 -4.422 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.103 -6.585 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.371 -5.533 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.483 -6.883 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.659 -6.479 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.039 -6.777 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.035 -5.350 0.891 1.00 0.00 H new ATOM 344 N ASN A 21 7.801 -2.431 -2.697 1.00 0.00 N ATOM 345 CA ASN A 21 9.093 -2.032 -3.315 1.00 0.00 C ATOM 346 C ASN A 21 9.826 -1.086 -2.371 1.00 0.00 C ATOM 347 O ASN A 21 11.039 -1.084 -2.290 1.00 0.00 O ATOM 348 CB ASN A 21 8.712 -1.313 -4.610 1.00 0.00 C ATOM 349 CG ASN A 21 9.747 -1.626 -5.691 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.491 -2.580 -5.578 1.00 0.00 O ATOM 351 ND2 ASN A 21 9.826 -0.858 -6.744 1.00 0.00 N ATOM 0 H ASN A 21 6.968 -2.203 -3.241 1.00 0.00 H new ATOM 0 HA ASN A 21 9.750 -2.880 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.722 -1.631 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.662 -0.237 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.512 -1.059 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.202 -0.057 -6.839 1.00 0.00 H new ATOM 358 N GLU A 22 9.092 -0.293 -1.638 1.00 0.00 N ATOM 359 CA GLU A 22 9.736 0.640 -0.676 1.00 0.00 C ATOM 360 C GLU A 22 10.221 -0.132 0.550 1.00 0.00 C ATOM 361 O GLU A 22 11.330 0.050 1.012 1.00 0.00 O ATOM 362 CB GLU A 22 8.638 1.630 -0.286 1.00 0.00 C ATOM 363 CG GLU A 22 8.169 2.388 -1.530 1.00 0.00 C ATOM 364 CD GLU A 22 9.238 3.402 -1.943 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.364 3.261 -1.498 1.00 0.00 O ATOM 366 OE2 GLU A 22 8.910 4.302 -2.697 1.00 0.00 O ATOM 0 H GLU A 22 8.073 -0.253 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 22 10.603 1.145 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.800 1.100 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.013 2.331 0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.981 1.689 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.228 2.899 -1.325 1.00 0.00 H new ATOM 373 N LEU A 23 9.403 -1.008 1.072 1.00 0.00 N ATOM 374 CA LEU A 23 9.830 -1.805 2.256 1.00 0.00 C ATOM 375 C LEU A 23 11.106 -2.577 1.923 1.00 0.00 C ATOM 376 O LEU A 23 12.040 -2.616 2.698 1.00 0.00 O ATOM 377 CB LEU A 23 8.674 -2.772 2.522 1.00 0.00 C ATOM 378 CG LEU A 23 7.741 -2.184 3.585 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.557 -1.751 4.804 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.007 -0.974 3.006 1.00 0.00 C ATOM 0 H LEU A 23 8.462 -1.204 0.730 1.00 0.00 H new ATOM 0 HA LEU A 23 10.044 -1.182 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.121 -2.955 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.062 -3.734 2.857 1.00 0.00 H new ATOM 0 HG LEU A 23 7.016 -2.940 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.890 -1.333 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.078 -2.614 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.285 -0.997 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.343 -0.555 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.733 -0.219 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.422 -1.284 2.140 1.00 0.00 H new ATOM 392 N GLN A 24 11.157 -3.180 0.766 1.00 0.00 N ATOM 393 CA GLN A 24 12.379 -3.934 0.375 1.00 0.00 C ATOM 394 C GLN A 24 13.539 -2.963 0.154 1.00 0.00 C ATOM 395 O GLN A 24 14.661 -3.222 0.541 1.00 0.00 O ATOM 396 CB GLN A 24 12.011 -4.637 -0.931 1.00 0.00 C ATOM 397 CG GLN A 24 13.281 -5.171 -1.595 1.00 0.00 C ATOM 398 CD GLN A 24 13.981 -6.147 -0.648 1.00 0.00 C ATOM 399 OE1 GLN A 24 13.355 -6.732 0.212 1.00 0.00 O ATOM 400 NE2 GLN A 24 15.266 -6.348 -0.770 1.00 0.00 N ATOM 0 H GLN A 24 10.405 -3.182 0.076 1.00 0.00 H new ATOM 0 HA GLN A 24 12.694 -4.643 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.319 -5.455 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.502 -3.943 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.032 -5.671 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.949 -4.346 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.793 -5.857 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.743 -6.996 -0.143 1.00 0.00 H new ATOM 409 N LYS A 25 13.274 -1.838 -0.457 1.00 0.00 N ATOM 410 CA LYS A 25 14.361 -0.847 -0.687 1.00 0.00 C ATOM 411 C LYS A 25 14.805 -0.248 0.639 1.00 0.00 C ATOM 412 O LYS A 25 15.893 0.280 0.761 1.00 0.00 O ATOM 413 CB LYS A 25 13.739 0.225 -1.582 1.00 0.00 C ATOM 414 CG LYS A 25 14.004 -0.118 -3.049 1.00 0.00 C ATOM 415 CD LYS A 25 13.304 0.904 -3.946 1.00 0.00 C ATOM 416 CE LYS A 25 13.656 2.318 -3.482 1.00 0.00 C ATOM 417 NZ LYS A 25 13.351 3.192 -4.648 1.00 0.00 N ATOM 0 H LYS A 25 12.355 -1.565 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 25 15.242 -1.295 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.666 0.288 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.160 1.202 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.076 -0.117 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.640 -1.121 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.610 0.764 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.225 0.756 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.069 2.605 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.706 2.391 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.567 4.180 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.929 2.900 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.343 3.107 -4.891 1.00 0.00 H new ATOM 431 N ASP A 26 13.981 -0.337 1.641 1.00 0.00 N ATOM 432 CA ASP A 26 14.366 0.216 2.961 1.00 0.00 C ATOM 433 C ASP A 26 13.750 -0.623 4.086 1.00 0.00 C ATOM 434 O ASP A 26 12.749 -0.257 4.669 1.00 0.00 O ATOM 435 CB ASP A 26 13.799 1.634 2.977 1.00 0.00 C ATOM 436 CG ASP A 26 14.259 2.383 1.724 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.459 2.504 1.539 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.405 2.822 0.973 1.00 0.00 O ATOM 0 H ASP A 26 13.058 -0.769 1.601 1.00 0.00 H new ATOM 0 HA ASP A 26 15.445 0.208 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.710 1.601 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.133 2.160 3.871 1.00 0.00 H new ATOM 443 N GLY A 27 14.339 -1.748 4.391 1.00 0.00 N ATOM 444 CA GLY A 27 13.787 -2.614 5.473 1.00 0.00 C ATOM 445 C GLY A 27 13.929 -1.907 6.824 1.00 0.00 C ATOM 446 O GLY A 27 14.544 -2.415 7.740 1.00 0.00 O ATOM 0 H GLY A 27 15.180 -2.105 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.738 -2.835 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.315 -3.567 5.494 1.00 0.00 H new ATOM 450 N ARG A 28 13.357 -0.741 6.958 1.00 0.00 N ATOM 451 CA ARG A 28 13.451 -0.002 8.250 1.00 0.00 C ATOM 452 C ARG A 28 12.666 1.308 8.162 1.00 0.00 C ATOM 453 O ARG A 28 13.020 2.298 8.771 1.00 0.00 O ATOM 454 CB ARG A 28 14.945 0.275 8.445 1.00 0.00 C ATOM 455 CG ARG A 28 15.405 1.358 7.463 1.00 0.00 C ATOM 456 CD ARG A 28 15.838 0.705 6.148 1.00 0.00 C ATOM 457 NE ARG A 28 17.059 1.450 5.737 1.00 0.00 N ATOM 458 CZ ARG A 28 17.962 0.866 4.996 1.00 0.00 C ATOM 459 NH1 ARG A 28 18.518 -0.244 5.399 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.311 1.394 3.855 1.00 0.00 N ATOM 0 H ARG A 28 12.827 -0.267 6.226 1.00 0.00 H new ATOM 0 HA ARG A 28 13.034 -0.568 9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.134 0.596 9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.517 -0.639 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.596 2.066 7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.233 1.923 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.049 -0.356 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.056 0.780 5.393 1.00 0.00 H new ATOM 0 HE ARG A 28 17.191 2.417 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.247 -0.655 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.223 -0.700 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.879 2.263 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.016 0.938 3.276 1.00 0.00 H new ATOM 474 N ILE A 29 11.610 1.322 7.397 1.00 0.00 N ATOM 475 CA ILE A 29 10.808 2.571 7.256 1.00 0.00 C ATOM 476 C ILE A 29 9.358 2.326 7.667 1.00 0.00 C ATOM 477 O ILE A 29 8.820 1.252 7.480 1.00 0.00 O ATOM 478 CB ILE A 29 10.888 2.921 5.770 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.985 4.121 5.479 1.00 0.00 C ATOM 480 CG2 ILE A 29 10.424 1.724 4.938 1.00 0.00 C ATOM 481 CD1 ILE A 29 10.031 4.444 3.983 1.00 0.00 C ATOM 0 H ILE A 29 11.267 0.523 6.863 1.00 0.00 H new ATOM 0 HA ILE A 29 11.183 3.374 7.891 1.00 0.00 H new ATOM 0 HB ILE A 29 11.918 3.168 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.962 3.902 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.312 4.984 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.481 1.973 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.065 0.867 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.395 1.477 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.388 5.299 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.055 4.681 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.684 3.582 3.414 1.00 0.00 H new ATOM 493 N SER A 30 8.720 3.316 8.225 1.00 0.00 N ATOM 494 CA SER A 30 7.304 3.145 8.644 1.00 0.00 C ATOM 495 C SER A 30 6.366 3.481 7.480 1.00 0.00 C ATOM 496 O SER A 30 6.788 3.610 6.350 1.00 0.00 O ATOM 497 CB SER A 30 7.111 4.135 9.792 1.00 0.00 C ATOM 498 OG SER A 30 6.801 5.417 9.259 1.00 0.00 O ATOM 0 H SER A 30 9.119 4.236 8.409 1.00 0.00 H new ATOM 0 HA SER A 30 7.081 2.122 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.309 3.797 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.016 4.189 10.397 1.00 0.00 H new ATOM 0 HG SER A 30 6.675 6.054 9.993 1.00 0.00 H new ATOM 504 N ASN A 31 5.098 3.631 7.750 1.00 0.00 N ATOM 505 CA ASN A 31 4.137 3.965 6.657 1.00 0.00 C ATOM 506 C ASN A 31 4.216 5.451 6.317 1.00 0.00 C ATOM 507 O ASN A 31 4.345 5.820 5.175 1.00 0.00 O ATOM 508 CB ASN A 31 2.760 3.615 7.222 1.00 0.00 C ATOM 509 CG ASN A 31 2.508 2.116 7.056 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.867 1.696 6.112 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.992 1.283 7.937 1.00 0.00 N ATOM 0 H ASN A 31 4.685 3.537 8.678 1.00 0.00 H new ATOM 0 HA ASN A 31 4.352 3.420 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.707 3.889 8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.987 4.184 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.832 0.281 7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.530 1.634 8.729 1.00 0.00 H new ATOM 518 N VAL A 32 4.147 6.309 7.298 1.00 0.00 N ATOM 519 CA VAL A 32 4.232 7.770 7.003 1.00 0.00 C ATOM 520 C VAL A 32 5.283 8.017 5.922 1.00 0.00 C ATOM 521 O VAL A 32 4.988 8.535 4.863 1.00 0.00 O ATOM 522 CB VAL A 32 4.648 8.421 8.322 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.177 9.832 8.053 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.438 8.500 9.255 1.00 0.00 C ATOM 0 H VAL A 32 4.036 6.066 8.283 1.00 0.00 H new ATOM 0 HA VAL A 32 3.290 8.178 6.635 1.00 0.00 H new ATOM 0 HB VAL A 32 5.431 7.824 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.473 10.295 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.039 9.777 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.396 10.430 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.734 8.964 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.655 9.097 8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.062 7.496 9.448 1.00 0.00 H new ATOM 534 N GLU A 33 6.501 7.608 6.159 1.00 0.00 N ATOM 535 CA GLU A 33 7.547 7.777 5.118 1.00 0.00 C ATOM 536 C GLU A 33 7.141 6.982 3.881 1.00 0.00 C ATOM 537 O GLU A 33 7.385 7.383 2.760 1.00 0.00 O ATOM 538 CB GLU A 33 8.826 7.207 5.734 1.00 0.00 C ATOM 539 CG GLU A 33 10.038 7.966 5.188 1.00 0.00 C ATOM 540 CD GLU A 33 10.845 8.543 6.353 1.00 0.00 C ATOM 541 OE1 GLU A 33 11.036 7.833 7.326 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.260 9.686 6.251 1.00 0.00 O ATOM 0 H GLU A 33 6.812 7.167 7.024 1.00 0.00 H new ATOM 0 HA GLU A 33 7.685 8.815 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.789 7.293 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.913 6.146 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.662 7.298 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.711 8.768 4.526 1.00 0.00 H new ATOM 549 N LEU A 34 6.483 5.869 4.082 1.00 0.00 N ATOM 550 CA LEU A 34 6.014 5.058 2.932 1.00 0.00 C ATOM 551 C LEU A 34 4.932 5.826 2.175 1.00 0.00 C ATOM 552 O LEU A 34 5.057 6.107 1.000 1.00 0.00 O ATOM 553 CB LEU A 34 5.429 3.795 3.558 1.00 0.00 C ATOM 554 CG LEU A 34 5.971 2.563 2.835 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.510 2.582 1.376 1.00 0.00 C ATOM 556 CD2 LEU A 34 7.500 2.571 2.888 1.00 0.00 C ATOM 0 H LEU A 34 6.252 5.490 5.000 1.00 0.00 H new ATOM 0 HA LEU A 34 6.810 4.830 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.686 3.750 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.341 3.816 3.495 1.00 0.00 H new ATOM 0 HG LEU A 34 5.596 1.663 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.897 1.703 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.421 2.574 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.884 3.482 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.887 1.692 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.876 3.471 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.828 2.555 3.927 1.00 0.00 H new ATOM 568 N SER A 35 3.874 6.182 2.856 1.00 0.00 N ATOM 569 CA SER A 35 2.779 6.950 2.208 1.00 0.00 C ATOM 570 C SER A 35 3.357 7.980 1.235 1.00 0.00 C ATOM 571 O SER A 35 2.883 8.138 0.128 1.00 0.00 O ATOM 572 CB SER A 35 2.068 7.647 3.357 1.00 0.00 C ATOM 573 OG SER A 35 2.655 8.924 3.572 1.00 0.00 O ATOM 0 H SER A 35 3.724 5.970 3.842 1.00 0.00 H new ATOM 0 HA SER A 35 2.108 6.313 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.007 7.756 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.140 7.045 4.263 1.00 0.00 H new ATOM 0 HG SER A 35 3.370 8.847 4.238 1.00 0.00 H new ATOM 579 N LYS A 36 4.377 8.683 1.644 1.00 0.00 N ATOM 580 CA LYS A 36 4.988 9.706 0.748 1.00 0.00 C ATOM 581 C LYS A 36 5.924 9.036 -0.264 1.00 0.00 C ATOM 582 O LYS A 36 6.203 9.577 -1.317 1.00 0.00 O ATOM 583 CB LYS A 36 5.780 10.622 1.683 1.00 0.00 C ATOM 584 CG LYS A 36 4.812 11.438 2.541 1.00 0.00 C ATOM 585 CD LYS A 36 5.600 12.454 3.372 1.00 0.00 C ATOM 586 CE LYS A 36 4.988 12.556 4.772 1.00 0.00 C ATOM 587 NZ LYS A 36 4.293 13.873 4.790 1.00 0.00 N ATOM 0 H LYS A 36 4.815 8.593 2.561 1.00 0.00 H new ATOM 0 HA LYS A 36 4.240 10.252 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.436 10.029 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.418 11.288 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.091 11.953 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.245 10.777 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.644 12.150 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.583 13.429 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.291 11.739 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.756 12.504 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.847 14.018 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.982 14.632 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.563 13.891 4.049 1.00 0.00 H new ATOM 601 N ARG A 37 6.414 7.867 0.046 1.00 0.00 N ATOM 602 CA ARG A 37 7.335 7.171 -0.899 1.00 0.00 C ATOM 603 C ARG A 37 6.542 6.524 -2.030 1.00 0.00 C ATOM 604 O ARG A 37 7.077 6.196 -3.071 1.00 0.00 O ATOM 605 CB ARG A 37 8.036 6.104 -0.059 1.00 0.00 C ATOM 606 CG ARG A 37 9.068 6.768 0.853 1.00 0.00 C ATOM 607 CD ARG A 37 10.470 6.547 0.282 1.00 0.00 C ATOM 608 NE ARG A 37 11.398 6.958 1.373 1.00 0.00 N ATOM 609 CZ ARG A 37 12.621 6.502 1.396 1.00 0.00 C ATOM 610 NH1 ARG A 37 13.114 5.898 0.348 1.00 0.00 N ATOM 611 NH2 ARG A 37 13.351 6.649 2.468 1.00 0.00 N ATOM 0 H ARG A 37 6.217 7.364 0.911 1.00 0.00 H new ATOM 0 HA ARG A 37 8.045 7.857 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.305 5.558 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.524 5.377 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.862 7.835 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.003 6.351 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.624 5.504 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.629 7.143 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 37 11.078 7.596 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.543 5.782 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.070 5.542 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.966 7.120 3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.307 6.293 2.487 1.00 0.00 H new ATOM 625 N VAL A 38 5.273 6.349 -1.841 1.00 0.00 N ATOM 626 CA VAL A 38 4.436 5.734 -2.912 1.00 0.00 C ATOM 627 C VAL A 38 3.575 6.804 -3.581 1.00 0.00 C ATOM 628 O VAL A 38 3.003 6.590 -4.631 1.00 0.00 O ATOM 629 CB VAL A 38 3.563 4.696 -2.203 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.395 3.446 -1.914 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.041 5.272 -0.886 1.00 0.00 C ATOM 0 H VAL A 38 4.771 6.604 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 38 5.040 5.276 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 38 2.720 4.437 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.775 2.705 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.766 3.031 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.238 3.710 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.420 4.529 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.882 5.534 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.448 6.164 -1.089 1.00 0.00 H new ATOM 641 N GLY A 39 3.504 7.962 -2.993 1.00 0.00 N ATOM 642 CA GLY A 39 2.708 9.063 -3.604 1.00 0.00 C ATOM 643 C GLY A 39 1.268 9.035 -3.074 1.00 0.00 C ATOM 644 O GLY A 39 0.327 9.271 -3.806 1.00 0.00 O ATOM 0 H GLY A 39 3.963 8.196 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.168 10.024 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.706 8.961 -4.689 1.00 0.00 H new ATOM 648 N LEU A 40 1.086 8.769 -1.809 1.00 0.00 N ATOM 649 CA LEU A 40 -0.301 8.753 -1.245 1.00 0.00 C ATOM 650 C LEU A 40 -0.282 9.068 0.244 1.00 0.00 C ATOM 651 O LEU A 40 0.753 9.058 0.880 1.00 0.00 O ATOM 652 CB LEU A 40 -0.822 7.329 -1.455 1.00 0.00 C ATOM 653 CG LEU A 40 0.298 6.324 -1.210 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.165 5.284 -0.184 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.647 5.623 -2.525 1.00 0.00 C ATOM 0 H LEU A 40 1.830 8.563 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.928 9.500 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.653 7.133 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.206 7.219 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 40 1.177 6.843 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.635 4.565 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.416 5.783 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.044 4.763 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.448 4.904 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.232 5.103 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.975 6.362 -3.256 1.00 0.00 H new ATOM 667 N SER A 41 -1.427 9.300 0.816 1.00 0.00 N ATOM 668 CA SER A 41 -1.486 9.560 2.274 1.00 0.00 C ATOM 669 C SER A 41 -1.202 8.274 3.014 1.00 0.00 C ATOM 670 O SER A 41 -1.405 7.197 2.488 1.00 0.00 O ATOM 671 CB SER A 41 -2.909 10.027 2.552 1.00 0.00 C ATOM 672 OG SER A 41 -3.678 9.944 1.359 1.00 0.00 O ATOM 0 H SER A 41 -2.326 9.320 0.334 1.00 0.00 H new ATOM 0 HA SER A 41 -0.757 10.304 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.359 9.412 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.901 11.053 2.921 1.00 0.00 H new ATOM 0 HG SER A 41 -4.594 10.243 1.539 1.00 0.00 H new ATOM 678 N PRO A 42 -0.714 8.417 4.196 1.00 0.00 N ATOM 679 CA PRO A 42 -0.364 7.244 4.994 1.00 0.00 C ATOM 680 C PRO A 42 -1.619 6.548 5.514 1.00 0.00 C ATOM 681 O PRO A 42 -1.728 5.340 5.462 1.00 0.00 O ATOM 682 CB PRO A 42 0.464 7.816 6.134 1.00 0.00 C ATOM 683 CG PRO A 42 0.024 9.242 6.258 1.00 0.00 C ATOM 684 CD PRO A 42 -0.448 9.678 4.892 1.00 0.00 C ATOM 0 HA PRO A 42 0.177 6.488 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.291 7.268 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.530 7.750 5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.777 9.336 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.846 9.871 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.344 10.296 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.310 10.268 4.376 1.00 0.00 H new ATOM 692 N THR A 43 -2.574 7.293 6.005 1.00 0.00 N ATOM 693 CA THR A 43 -3.820 6.653 6.514 1.00 0.00 C ATOM 694 C THR A 43 -4.201 5.469 5.610 1.00 0.00 C ATOM 695 O THR A 43 -4.317 4.351 6.072 1.00 0.00 O ATOM 696 CB THR A 43 -4.888 7.757 6.464 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.934 8.420 7.720 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.259 7.144 6.162 1.00 0.00 C ATOM 0 H THR A 43 -2.545 8.310 6.075 1.00 0.00 H new ATOM 0 HA THR A 43 -3.708 6.257 7.523 1.00 0.00 H new ATOM 0 HB THR A 43 -4.634 8.469 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.613 9.126 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.011 7.933 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.225 6.633 5.200 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.518 6.429 6.943 1.00 0.00 H new ATOM 706 N PRO A 44 -4.354 5.755 4.342 1.00 0.00 N ATOM 707 CA PRO A 44 -4.685 4.698 3.370 1.00 0.00 C ATOM 708 C PRO A 44 -3.437 3.881 3.034 1.00 0.00 C ATOM 709 O PRO A 44 -3.484 2.671 2.961 1.00 0.00 O ATOM 710 CB PRO A 44 -5.168 5.466 2.148 1.00 0.00 C ATOM 711 CG PRO A 44 -4.510 6.812 2.247 1.00 0.00 C ATOM 712 CD PRO A 44 -4.245 7.075 3.715 1.00 0.00 C ATOM 0 HA PRO A 44 -5.428 3.992 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.887 4.957 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.254 5.557 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.580 6.828 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.153 7.586 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.257 7.509 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.970 7.775 4.131 1.00 0.00 H new ATOM 720 N CYS A 45 -2.309 4.531 2.840 1.00 0.00 N ATOM 721 CA CYS A 45 -1.064 3.767 2.533 1.00 0.00 C ATOM 722 C CYS A 45 -1.062 2.486 3.344 1.00 0.00 C ATOM 723 O CYS A 45 -0.915 1.400 2.818 1.00 0.00 O ATOM 724 CB CYS A 45 0.085 4.672 2.968 1.00 0.00 C ATOM 725 SG CYS A 45 1.654 3.954 2.424 1.00 0.00 S ATOM 0 H CYS A 45 -2.202 5.545 2.881 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.982 3.500 1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.040 5.667 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.081 4.787 4.052 1.00 0.00 H new ATOM 0 HG CYS A 45 1.520 2.668 2.293 1.00 0.00 H new ATOM 731 N LEU A 46 -1.290 2.599 4.618 1.00 0.00 N ATOM 732 CA LEU A 46 -1.374 1.392 5.459 1.00 0.00 C ATOM 733 C LEU A 46 -2.510 0.525 4.950 1.00 0.00 C ATOM 734 O LEU A 46 -2.334 -0.636 4.658 1.00 0.00 O ATOM 735 CB LEU A 46 -1.675 1.913 6.857 1.00 0.00 C ATOM 736 CG LEU A 46 -0.533 2.822 7.302 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.078 4.211 7.636 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.142 2.227 8.539 1.00 0.00 C ATOM 0 H LEU A 46 -1.422 3.482 5.111 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.466 0.790 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.617 2.462 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.788 1.082 7.553 1.00 0.00 H new ATOM 0 HG LEU A 46 0.195 2.906 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.259 4.857 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.555 4.637 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.809 4.131 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.958 2.877 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.587 2.140 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.537 1.240 8.299 1.00 0.00 H new ATOM 750 N GLU A 47 -3.675 1.095 4.794 1.00 0.00 N ATOM 751 CA GLU A 47 -4.808 0.307 4.252 1.00 0.00 C ATOM 752 C GLU A 47 -4.320 -0.503 3.053 1.00 0.00 C ATOM 753 O GLU A 47 -4.640 -1.665 2.897 1.00 0.00 O ATOM 754 CB GLU A 47 -5.851 1.337 3.819 1.00 0.00 C ATOM 755 CG GLU A 47 -6.878 1.523 4.936 1.00 0.00 C ATOM 756 CD GLU A 47 -7.613 0.204 5.178 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.362 -0.736 4.441 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.417 0.155 6.095 1.00 0.00 O ATOM 0 H GLU A 47 -3.886 2.067 5.018 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.223 -0.391 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.367 2.287 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.347 1.007 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.382 1.848 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.589 2.303 4.665 1.00 0.00 H new ATOM 765 N ARG A 48 -3.506 0.101 2.223 1.00 0.00 N ATOM 766 CA ARG A 48 -2.950 -0.632 1.056 1.00 0.00 C ATOM 767 C ARG A 48 -1.951 -1.679 1.556 1.00 0.00 C ATOM 768 O ARG A 48 -1.978 -2.831 1.155 1.00 0.00 O ATOM 769 CB ARG A 48 -2.247 0.437 0.210 1.00 0.00 C ATOM 770 CG ARG A 48 -3.160 1.661 0.069 1.00 0.00 C ATOM 771 CD ARG A 48 -3.721 1.723 -1.354 1.00 0.00 C ATOM 772 NE ARG A 48 -5.162 2.056 -1.181 1.00 0.00 N ATOM 773 CZ ARG A 48 -6.079 1.199 -1.541 1.00 0.00 C ATOM 774 NH1 ARG A 48 -6.256 0.106 -0.851 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.821 1.437 -2.588 1.00 0.00 N ATOM 0 H ARG A 48 -3.205 1.072 2.308 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.711 -1.155 0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.305 0.725 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.005 0.036 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.976 1.604 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.602 2.571 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.209 2.480 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.594 0.772 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.433 2.954 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.678 -0.079 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.972 -0.564 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.685 2.293 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.537 0.767 -2.869 1.00 0.00 H new ATOM 789 N VAL A 49 -1.095 -1.294 2.462 1.00 0.00 N ATOM 790 CA VAL A 49 -0.121 -2.262 3.025 1.00 0.00 C ATOM 791 C VAL A 49 -0.870 -3.380 3.751 1.00 0.00 C ATOM 792 O VAL A 49 -0.580 -4.548 3.585 1.00 0.00 O ATOM 793 CB VAL A 49 0.733 -1.438 4.003 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.384 -1.806 5.450 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.208 -1.734 3.749 1.00 0.00 C ATOM 0 H VAL A 49 -1.030 -0.347 2.836 1.00 0.00 H new ATOM 0 HA VAL A 49 0.495 -2.738 2.262 1.00 0.00 H new ATOM 0 HB VAL A 49 0.532 -0.378 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.995 -1.216 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.670 -1.598 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.578 -2.866 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.820 -1.153 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.398 -2.796 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.462 -1.464 2.724 1.00 0.00 H new ATOM 805 N ARG A 50 -1.856 -3.029 4.534 1.00 0.00 N ATOM 806 CA ARG A 50 -2.643 -4.071 5.243 1.00 0.00 C ATOM 807 C ARG A 50 -3.056 -5.142 4.248 1.00 0.00 C ATOM 808 O ARG A 50 -2.873 -6.319 4.473 1.00 0.00 O ATOM 809 CB ARG A 50 -3.870 -3.342 5.796 1.00 0.00 C ATOM 810 CG ARG A 50 -3.420 -2.182 6.690 1.00 0.00 C ATOM 811 CD ARG A 50 -3.259 -2.674 8.126 1.00 0.00 C ATOM 812 NE ARG A 50 -4.649 -2.890 8.618 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.028 -2.363 9.751 1.00 0.00 C ATOM 814 NH1 ARG A 50 -4.265 -2.467 10.806 1.00 0.00 N ATOM 815 NH2 ARG A 50 -6.167 -1.734 9.830 1.00 0.00 N ATOM 0 H ARG A 50 -2.147 -2.068 4.711 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.081 -4.559 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.482 -2.966 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.490 -4.034 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.477 -1.775 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.152 -1.375 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.679 -3.596 8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.733 -1.941 8.738 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.303 -3.449 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.374 -2.960 10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.560 -2.056 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.763 -1.653 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.462 -1.323 10.716 1.00 0.00 H new ATOM 829 N ARG A 51 -3.568 -4.736 3.124 1.00 0.00 N ATOM 830 CA ARG A 51 -3.939 -5.727 2.083 1.00 0.00 C ATOM 831 C ARG A 51 -2.752 -6.656 1.851 1.00 0.00 C ATOM 832 O ARG A 51 -2.898 -7.856 1.725 1.00 0.00 O ATOM 833 CB ARG A 51 -4.252 -4.890 0.830 1.00 0.00 C ATOM 834 CG ARG A 51 -3.420 -5.388 -0.359 1.00 0.00 C ATOM 835 CD ARG A 51 -3.886 -6.789 -0.763 1.00 0.00 C ATOM 836 NE ARG A 51 -5.054 -6.561 -1.658 1.00 0.00 N ATOM 837 CZ ARG A 51 -6.087 -7.357 -1.599 1.00 0.00 C ATOM 838 NH1 ARG A 51 -6.630 -7.636 -0.445 1.00 0.00 N ATOM 839 NH2 ARG A 51 -6.578 -7.871 -2.693 1.00 0.00 N ATOM 0 H ARG A 51 -3.745 -3.761 2.881 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.791 -6.349 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.314 -4.958 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.034 -3.839 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.524 -4.703 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.363 -5.408 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.095 -7.335 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.166 -7.379 0.110 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.047 -5.783 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.247 -7.232 0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.437 -8.258 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.155 -7.651 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.385 -8.493 -2.647 1.00 0.00 H new ATOM 853 N LEU A 52 -1.567 -6.105 1.832 1.00 0.00 N ATOM 854 CA LEU A 52 -0.356 -6.949 1.652 1.00 0.00 C ATOM 855 C LEU A 52 -0.050 -7.694 2.952 1.00 0.00 C ATOM 856 O LEU A 52 0.363 -8.835 2.947 1.00 0.00 O ATOM 857 CB LEU A 52 0.768 -5.965 1.328 1.00 0.00 C ATOM 858 CG LEU A 52 0.545 -5.376 -0.063 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.560 -4.261 -0.313 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.722 -6.473 -1.117 1.00 0.00 C ATOM 0 H LEU A 52 -1.388 -5.106 1.934 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.481 -7.696 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.794 -5.169 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.732 -6.472 1.370 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.464 -4.970 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.401 -3.840 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.434 -3.480 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.570 -4.667 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.563 -6.053 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.731 -6.880 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.002 -7.268 -0.939 1.00 0.00 H new ATOM 872 N GLU A 53 -0.255 -7.051 4.069 1.00 0.00 N ATOM 873 CA GLU A 53 0.018 -7.712 5.375 1.00 0.00 C ATOM 874 C GLU A 53 -1.057 -8.760 5.676 1.00 0.00 C ATOM 875 O GLU A 53 -0.821 -9.720 6.383 1.00 0.00 O ATOM 876 CB GLU A 53 -0.035 -6.580 6.400 1.00 0.00 C ATOM 877 CG GLU A 53 -0.087 -7.167 7.808 1.00 0.00 C ATOM 878 CD GLU A 53 1.156 -8.025 8.049 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.150 -9.171 7.633 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.093 -7.521 8.645 1.00 0.00 O ATOM 0 H GLU A 53 -0.601 -6.094 4.133 1.00 0.00 H new ATOM 0 HA GLU A 53 0.976 -8.233 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.840 -5.939 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.911 -5.956 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.138 -6.366 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.987 -7.770 7.929 1.00 0.00 H new ATOM 887 N ARG A 54 -2.235 -8.584 5.143 1.00 0.00 N ATOM 888 CA ARG A 54 -3.323 -9.569 5.396 1.00 0.00 C ATOM 889 C ARG A 54 -3.003 -10.898 4.709 1.00 0.00 C ATOM 890 O ARG A 54 -3.201 -11.960 5.265 1.00 0.00 O ATOM 891 CB ARG A 54 -4.574 -8.942 4.782 1.00 0.00 C ATOM 892 CG ARG A 54 -5.004 -7.735 5.617 1.00 0.00 C ATOM 893 CD ARG A 54 -6.059 -8.169 6.635 1.00 0.00 C ATOM 894 NE ARG A 54 -5.495 -7.782 7.959 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.230 -7.873 9.032 1.00 0.00 C ATOM 896 NH1 ARG A 54 -7.510 -8.106 8.928 1.00 0.00 N ATOM 897 NH2 ARG A 54 -5.686 -7.731 10.210 1.00 0.00 N ATOM 0 H ARG A 54 -2.491 -7.800 4.543 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.449 -9.780 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.373 -8.634 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.379 -9.676 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.142 -7.309 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.407 -6.956 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.013 -7.674 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.242 -9.242 6.582 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.534 -7.446 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.935 -8.217 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.085 -8.177 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.686 -7.549 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.261 -7.802 11.049 1.00 0.00 H new ATOM 911 N GLN A 55 -2.510 -10.847 3.501 1.00 0.00 N ATOM 912 CA GLN A 55 -2.180 -12.108 2.779 1.00 0.00 C ATOM 913 C GLN A 55 -0.868 -12.693 3.307 1.00 0.00 C ATOM 914 O GLN A 55 -0.394 -13.707 2.836 1.00 0.00 O ATOM 915 CB GLN A 55 -2.034 -11.699 1.313 1.00 0.00 C ATOM 916 CG GLN A 55 -1.051 -10.534 1.205 1.00 0.00 C ATOM 917 CD GLN A 55 -0.336 -10.593 -0.147 1.00 0.00 C ATOM 918 OE1 GLN A 55 0.395 -11.523 -0.421 1.00 0.00 O ATOM 919 NE2 GLN A 55 -0.518 -9.630 -1.010 1.00 0.00 N ATOM 0 H GLN A 55 -2.322 -9.988 2.984 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.945 -12.873 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.680 -12.544 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.003 -11.410 0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.581 -9.587 1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.324 -10.582 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.132 -8.849 -0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.046 -9.659 -1.914 1.00 0.00 H new ATOM 928 N GLY A 56 -0.283 -12.064 4.287 1.00 0.00 N ATOM 929 CA GLY A 56 0.994 -12.586 4.853 1.00 0.00 C ATOM 930 C GLY A 56 2.168 -12.103 4.001 1.00 0.00 C ATOM 931 O GLY A 56 3.102 -12.837 3.744 1.00 0.00 O ATOM 0 H GLY A 56 -0.633 -11.210 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.114 -12.246 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.974 -13.676 4.878 1.00 0.00 H new ATOM 935 N PHE A 57 2.136 -10.873 3.567 1.00 0.00 N ATOM 936 CA PHE A 57 3.258 -10.346 2.737 1.00 0.00 C ATOM 937 C PHE A 57 3.919 -9.156 3.438 1.00 0.00 C ATOM 938 O PHE A 57 4.726 -8.453 2.863 1.00 0.00 O ATOM 939 CB PHE A 57 2.607 -9.904 1.425 1.00 0.00 C ATOM 940 CG PHE A 57 2.840 -10.957 0.367 1.00 0.00 C ATOM 941 CD1 PHE A 57 2.800 -12.315 0.708 1.00 0.00 C ATOM 942 CD2 PHE A 57 3.098 -10.574 -0.953 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.017 -13.289 -0.274 1.00 0.00 C ATOM 944 CE2 PHE A 57 3.314 -11.548 -1.935 1.00 0.00 C ATOM 945 CZ PHE A 57 3.275 -12.905 -1.596 1.00 0.00 C ATOM 0 H PHE A 57 1.383 -10.210 3.750 1.00 0.00 H new ATOM 0 HA PHE A 57 4.037 -11.091 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.538 -9.750 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.025 -8.950 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.602 -12.610 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.131 -9.527 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.985 -14.336 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.511 -11.252 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.444 -13.656 -2.354 1.00 0.00 H new ATOM 955 N ILE A 58 3.587 -8.931 4.680 1.00 0.00 N ATOM 956 CA ILE A 58 4.197 -7.791 5.425 1.00 0.00 C ATOM 957 C ILE A 58 4.601 -8.238 6.831 1.00 0.00 C ATOM 958 O ILE A 58 4.676 -7.445 7.748 1.00 0.00 O ATOM 959 CB ILE A 58 3.105 -6.728 5.488 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.459 -6.579 4.109 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.722 -5.394 5.900 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.479 -5.998 3.127 1.00 0.00 C ATOM 0 H ILE A 58 2.919 -9.488 5.212 1.00 0.00 H new ATOM 0 HA ILE A 58 5.099 -7.415 4.942 1.00 0.00 H new ATOM 0 HB ILE A 58 2.350 -7.025 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.107 -7.548 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.588 -5.927 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.944 -4.632 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.188 -5.496 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.475 -5.100 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.019 -5.892 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.809 -5.021 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.337 -6.667 3.055 1.00 0.00 H new