USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=6 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 Set 1.1: A 30 SER OG : rot -87:sc= 0.681 USER MOD Set 1.2: A 31 ASN : amide:sc= -3.36 K(o=-2.7,f=-8.1!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.388! C(o=-2!,f=-0.39!) USER MOD Single : A 21 ASN : amide:sc= 0.00804 X(o=0.008,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -92:sc= 0.707 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 103:sc= -6.67! USER MOD Single : A 55 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -3.034 -3.326 -6.438 1.00 0.00 N ATOM 202 CA ASP A 13 -3.028 -1.846 -6.614 1.00 0.00 C ATOM 203 C ASP A 13 -1.595 -1.330 -6.673 1.00 0.00 C ATOM 204 O ASP A 13 -0.749 -1.723 -5.893 1.00 0.00 O ATOM 205 CB ASP A 13 -3.746 -1.297 -5.381 1.00 0.00 C ATOM 206 CG ASP A 13 -4.762 -0.238 -5.812 1.00 0.00 C ATOM 207 OD1 ASP A 13 -4.764 0.112 -6.981 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.519 0.206 -4.965 1.00 0.00 O ATOM 0 HA ASP A 13 -3.515 -1.538 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.250 -2.105 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.024 -0.863 -4.689 1.00 0.00 H new ATOM 213 N ARG A 14 -1.310 -0.458 -7.596 1.00 0.00 N ATOM 214 CA ARG A 14 0.072 0.076 -7.710 1.00 0.00 C ATOM 215 C ARG A 14 0.573 0.551 -6.343 1.00 0.00 C ATOM 216 O ARG A 14 1.759 0.673 -6.113 1.00 0.00 O ATOM 217 CB ARG A 14 -0.037 1.253 -8.683 1.00 0.00 C ATOM 218 CG ARG A 14 -0.620 0.766 -10.012 1.00 0.00 C ATOM 219 CD ARG A 14 0.088 -0.520 -10.442 1.00 0.00 C ATOM 220 NE ARG A 14 0.094 -0.477 -11.930 1.00 0.00 N ATOM 221 CZ ARG A 14 -0.784 -1.165 -12.607 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.567 -2.425 -12.867 1.00 0.00 N ATOM 223 NH2 ARG A 14 -1.881 -0.593 -13.022 1.00 0.00 N ATOM 0 H ARG A 14 -1.975 -0.092 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 14 0.778 -0.677 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.672 2.031 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.945 1.696 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.690 0.587 -9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.499 1.533 -10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.102 -0.564 -10.044 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.437 -1.402 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 14 0.785 0.091 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.289 -2.873 -12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.254 -2.962 -13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.052 0.392 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.568 -1.130 -13.551 1.00 0.00 H new ATOM 237 N ILE A 15 -0.325 0.818 -5.433 1.00 0.00 N ATOM 238 CA ILE A 15 0.097 1.284 -4.080 1.00 0.00 C ATOM 239 C ILE A 15 0.664 0.117 -3.265 1.00 0.00 C ATOM 240 O ILE A 15 1.446 0.308 -2.354 1.00 0.00 O ATOM 241 CB ILE A 15 -1.180 1.820 -3.434 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.908 2.737 -4.424 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.818 2.614 -2.178 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.901 3.690 -5.074 1.00 0.00 C ATOM 0 H ILE A 15 -1.333 0.734 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 15 0.880 2.041 -4.130 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.829 0.987 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.407 2.141 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.682 3.305 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.727 2.997 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.299 1.964 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.169 3.447 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.419 4.342 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.423 4.295 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.144 3.113 -5.604 1.00 0.00 H new ATOM 256 N ASP A 16 0.281 -1.088 -3.584 1.00 0.00 N ATOM 257 CA ASP A 16 0.804 -2.259 -2.823 1.00 0.00 C ATOM 258 C ASP A 16 2.159 -2.696 -3.383 1.00 0.00 C ATOM 259 O ASP A 16 3.143 -2.757 -2.672 1.00 0.00 O ATOM 260 CB ASP A 16 -0.238 -3.358 -3.024 1.00 0.00 C ATOM 261 CG ASP A 16 -1.423 -3.118 -2.087 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.204 -2.583 -1.013 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.529 -3.472 -2.461 1.00 0.00 O ATOM 0 H ASP A 16 -0.370 -1.313 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 16 0.958 -2.029 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.577 -3.367 -4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.205 -4.334 -2.825 1.00 0.00 H new ATOM 268 N ARG A 17 2.223 -3.000 -4.652 1.00 0.00 N ATOM 269 CA ARG A 17 3.520 -3.429 -5.246 1.00 0.00 C ATOM 270 C ARG A 17 4.579 -2.359 -5.015 1.00 0.00 C ATOM 271 O ARG A 17 5.693 -2.647 -4.626 1.00 0.00 O ATOM 272 CB ARG A 17 3.242 -3.600 -6.739 1.00 0.00 C ATOM 273 CG ARG A 17 2.711 -2.288 -7.315 1.00 0.00 C ATOM 274 CD ARG A 17 2.329 -2.494 -8.781 1.00 0.00 C ATOM 275 NE ARG A 17 3.097 -1.458 -9.526 1.00 0.00 N ATOM 276 CZ ARG A 17 3.334 -1.612 -10.799 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.442 -2.177 -11.566 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.462 -1.199 -11.308 1.00 0.00 N ATOM 0 H ARG A 17 1.436 -2.970 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 17 3.894 -4.350 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.154 -3.894 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.516 -4.398 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.844 -1.953 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.468 -1.509 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.588 -3.497 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.256 -2.374 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 17 3.438 -0.628 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.559 -2.498 -11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.628 -2.297 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.159 -0.755 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.647 -1.320 -12.304 1.00 0.00 H new ATOM 292 N ASN A 18 4.232 -1.126 -5.218 1.00 0.00 N ATOM 293 CA ASN A 18 5.211 -0.035 -4.975 1.00 0.00 C ATOM 294 C ASN A 18 5.552 0.004 -3.492 1.00 0.00 C ATOM 295 O ASN A 18 6.696 0.150 -3.107 1.00 0.00 O ATOM 296 CB ASN A 18 4.498 1.250 -5.400 1.00 0.00 C ATOM 297 CG ASN A 18 4.517 1.366 -6.924 1.00 0.00 C ATOM 298 OD1 ASN A 18 5.618 1.726 -7.524 1.00 0.00 O flip ATOM 299 ND2 ASN A 18 3.519 1.129 -7.576 1.00 0.00 N flip ATOM 0 H ASN A 18 3.313 -0.824 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 18 6.142 -0.171 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.470 1.244 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.988 2.115 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.658 0.848 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.542 1.212 -8.592 1.00 0.00 H new ATOM 306 N ILE A 19 4.568 -0.162 -2.653 1.00 0.00 N ATOM 307 CA ILE A 19 4.834 -0.174 -1.195 1.00 0.00 C ATOM 308 C ILE A 19 5.761 -1.343 -0.861 1.00 0.00 C ATOM 309 O ILE A 19 6.665 -1.221 -0.059 1.00 0.00 O ATOM 310 CB ILE A 19 3.456 -0.360 -0.548 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.823 1.011 -0.307 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.602 -1.093 0.788 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.422 0.830 0.280 1.00 0.00 C ATOM 0 H ILE A 19 3.591 -0.290 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 19 5.322 0.734 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 19 2.823 -0.948 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.442 1.594 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.768 1.567 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.619 -1.222 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.054 -2.070 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.236 -0.510 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.971 1.807 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.806 0.263 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.490 0.291 1.225 1.00 0.00 H new ATOM 325 N LEU A 20 5.559 -2.473 -1.489 1.00 0.00 N ATOM 326 CA LEU A 20 6.448 -3.634 -1.224 1.00 0.00 C ATOM 327 C LEU A 20 7.855 -3.320 -1.729 1.00 0.00 C ATOM 328 O LEU A 20 8.839 -3.611 -1.078 1.00 0.00 O ATOM 329 CB LEU A 20 5.840 -4.792 -2.014 1.00 0.00 C ATOM 330 CG LEU A 20 4.676 -5.393 -1.224 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.746 -6.146 -2.176 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.220 -6.362 -0.171 1.00 0.00 C ATOM 0 H LEU A 20 4.818 -2.638 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 20 6.526 -3.871 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.491 -4.440 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.596 -5.554 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 20 4.122 -4.594 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.917 -6.574 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.357 -5.457 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.300 -6.945 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.391 -6.790 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.775 -7.160 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.882 -5.826 0.509 1.00 0.00 H new ATOM 344 N ASN A 21 7.956 -2.698 -2.875 1.00 0.00 N ATOM 345 CA ASN A 21 9.297 -2.334 -3.403 1.00 0.00 C ATOM 346 C ASN A 21 9.930 -1.280 -2.499 1.00 0.00 C ATOM 347 O ASN A 21 11.130 -1.242 -2.312 1.00 0.00 O ATOM 348 CB ASN A 21 9.033 -1.760 -4.797 1.00 0.00 C ATOM 349 CG ASN A 21 9.343 -2.821 -5.855 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.488 -3.030 -6.203 1.00 0.00 O ATOM 351 ND2 ASN A 21 8.365 -3.503 -6.383 1.00 0.00 N ATOM 0 H ASN A 21 7.168 -2.429 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 21 9.980 -3.183 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.994 -1.442 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.651 -0.877 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.561 -4.213 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.404 -3.327 -6.090 1.00 0.00 H new ATOM 358 N GLU A 22 9.122 -0.434 -1.916 1.00 0.00 N ATOM 359 CA GLU A 22 9.665 0.607 -1.002 1.00 0.00 C ATOM 360 C GLU A 22 9.976 -0.016 0.358 1.00 0.00 C ATOM 361 O GLU A 22 10.898 0.383 1.041 1.00 0.00 O ATOM 362 CB GLU A 22 8.547 1.661 -0.895 1.00 0.00 C ATOM 363 CG GLU A 22 7.817 1.534 0.450 1.00 0.00 C ATOM 364 CD GLU A 22 8.614 2.260 1.535 1.00 0.00 C ATOM 365 OE1 GLU A 22 8.489 3.470 1.626 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.336 1.594 2.258 1.00 0.00 O ATOM 0 H GLU A 22 8.109 -0.421 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 22 10.593 1.050 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.971 2.661 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.839 1.533 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.816 1.959 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.698 0.483 0.713 1.00 0.00 H new ATOM 373 N LEU A 23 9.229 -1.011 0.742 1.00 0.00 N ATOM 374 CA LEU A 23 9.495 -1.682 2.041 1.00 0.00 C ATOM 375 C LEU A 23 10.753 -2.538 1.926 1.00 0.00 C ATOM 376 O LEU A 23 11.499 -2.700 2.871 1.00 0.00 O ATOM 377 CB LEU A 23 8.266 -2.558 2.288 1.00 0.00 C ATOM 378 CG LEU A 23 7.623 -2.183 3.627 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.711 -1.994 4.687 1.00 0.00 C ATOM 380 CD2 LEU A 23 6.835 -0.881 3.466 1.00 0.00 C ATOM 0 H LEU A 23 8.444 -1.389 0.211 1.00 0.00 H new ATOM 0 HA LEU A 23 9.659 -0.977 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.547 -2.428 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.553 -3.610 2.293 1.00 0.00 H new ATOM 0 HG LEU A 23 6.950 -2.981 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.250 -1.727 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.271 -2.922 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.388 -1.198 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.377 -0.613 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.509 -0.084 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.057 -1.017 2.715 1.00 0.00 H new ATOM 392 N GLN A 24 11.003 -3.074 0.763 1.00 0.00 N ATOM 393 CA GLN A 24 12.223 -3.904 0.570 1.00 0.00 C ATOM 394 C GLN A 24 13.444 -2.999 0.411 1.00 0.00 C ATOM 395 O GLN A 24 14.520 -3.301 0.889 1.00 0.00 O ATOM 396 CB GLN A 24 11.967 -4.691 -0.714 1.00 0.00 C ATOM 397 CG GLN A 24 13.208 -5.512 -1.065 1.00 0.00 C ATOM 398 CD GLN A 24 13.249 -6.771 -0.197 1.00 0.00 C ATOM 399 OE1 GLN A 24 13.451 -6.693 0.999 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.064 -7.939 -0.751 1.00 0.00 N ATOM 0 H GLN A 24 10.413 -2.972 -0.063 1.00 0.00 H new ATOM 0 HA GLN A 24 12.419 -4.563 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.107 -5.349 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.727 -4.009 -1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.190 -5.785 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.108 -4.918 -0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.894 -8.006 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.089 -8.784 -0.180 1.00 0.00 H new ATOM 409 N LYS A 25 13.283 -1.877 -0.244 1.00 0.00 N ATOM 410 CA LYS A 25 14.434 -0.945 -0.413 1.00 0.00 C ATOM 411 C LYS A 25 14.708 -0.226 0.897 1.00 0.00 C ATOM 412 O LYS A 25 15.836 0.074 1.231 1.00 0.00 O ATOM 413 CB LYS A 25 13.990 0.041 -1.504 1.00 0.00 C ATOM 414 CG LYS A 25 13.340 1.275 -0.866 1.00 0.00 C ATOM 415 CD LYS A 25 13.000 2.294 -1.956 1.00 0.00 C ATOM 416 CE LYS A 25 12.034 3.340 -1.396 1.00 0.00 C ATOM 417 NZ LYS A 25 11.909 4.363 -2.474 1.00 0.00 N ATOM 0 H LYS A 25 12.407 -1.569 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 25 15.355 -1.457 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.849 0.342 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.284 -0.444 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.437 0.986 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.017 1.719 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.909 2.778 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.551 1.790 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.067 2.897 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.418 3.780 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.261 5.116 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.844 4.772 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.534 3.916 -3.335 1.00 0.00 H new ATOM 431 N ASP A 26 13.686 0.043 1.648 1.00 0.00 N ATOM 432 CA ASP A 26 13.888 0.730 2.944 1.00 0.00 C ATOM 433 C ASP A 26 13.361 -0.140 4.088 1.00 0.00 C ATOM 434 O ASP A 26 12.378 0.184 4.723 1.00 0.00 O ATOM 435 CB ASP A 26 13.084 2.025 2.837 1.00 0.00 C ATOM 436 CG ASP A 26 14.038 3.221 2.848 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.197 3.032 2.513 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.597 4.303 3.193 1.00 0.00 O ATOM 0 H ASP A 26 12.718 -0.183 1.420 1.00 0.00 H new ATOM 0 HA ASP A 26 14.941 0.923 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.495 2.025 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.382 2.099 3.667 1.00 0.00 H new ATOM 443 N GLY A 27 14.006 -1.247 4.348 1.00 0.00 N ATOM 444 CA GLY A 27 13.546 -2.145 5.450 1.00 0.00 C ATOM 445 C GLY A 27 13.674 -1.417 6.790 1.00 0.00 C ATOM 446 O GLY A 27 14.387 -1.844 7.676 1.00 0.00 O ATOM 0 H GLY A 27 14.833 -1.569 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.511 -2.442 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.141 -3.058 5.462 1.00 0.00 H new ATOM 450 N ARG A 28 12.988 -0.323 6.941 1.00 0.00 N ATOM 451 CA ARG A 28 13.061 0.443 8.215 1.00 0.00 C ATOM 452 C ARG A 28 12.078 1.612 8.169 1.00 0.00 C ATOM 453 O ARG A 28 12.287 2.640 8.783 1.00 0.00 O ATOM 454 CB ARG A 28 14.499 0.953 8.287 1.00 0.00 C ATOM 455 CG ARG A 28 14.767 1.883 7.104 1.00 0.00 C ATOM 456 CD ARG A 28 15.764 1.222 6.150 1.00 0.00 C ATOM 457 NE ARG A 28 16.961 2.107 6.174 1.00 0.00 N ATOM 458 CZ ARG A 28 18.127 1.616 6.490 1.00 0.00 C ATOM 459 NH1 ARG A 28 18.507 0.468 6.001 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.914 2.272 7.298 1.00 0.00 N ATOM 0 H ARG A 28 12.374 0.078 6.232 1.00 0.00 H new ATOM 0 HA ARG A 28 12.803 -0.162 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.662 1.484 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.195 0.115 8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.836 2.100 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.163 2.835 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.013 0.212 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.353 1.140 5.144 1.00 0.00 H new ATOM 0 HE ARG A 28 16.869 3.096 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.892 -0.047 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.419 0.085 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.617 3.169 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.826 1.888 7.545 1.00 0.00 H new ATOM 474 N ILE A 29 11.012 1.465 7.433 1.00 0.00 N ATOM 475 CA ILE A 29 10.015 2.564 7.329 1.00 0.00 C ATOM 476 C ILE A 29 8.675 2.117 7.907 1.00 0.00 C ATOM 477 O ILE A 29 8.305 0.963 7.824 1.00 0.00 O ATOM 478 CB ILE A 29 9.893 2.834 5.829 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.008 4.059 5.601 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.270 1.619 5.138 1.00 0.00 C ATOM 481 CD1 ILE A 29 8.971 4.392 4.108 1.00 0.00 C ATOM 0 H ILE A 29 10.788 0.627 6.897 1.00 0.00 H new ATOM 0 HA ILE A 29 10.314 3.454 7.883 1.00 0.00 H new ATOM 0 HB ILE A 29 10.884 3.019 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.999 3.865 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.393 4.909 6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.184 1.813 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.902 0.745 5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.280 1.432 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.340 5.266 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.981 4.604 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.566 3.544 3.556 1.00 0.00 H new ATOM 493 N SER A 30 7.948 3.019 8.501 1.00 0.00 N ATOM 494 CA SER A 30 6.635 2.639 9.092 1.00 0.00 C ATOM 495 C SER A 30 5.512 2.842 8.067 1.00 0.00 C ATOM 496 O SER A 30 5.202 1.961 7.290 1.00 0.00 O ATOM 497 CB SER A 30 6.451 3.576 10.285 1.00 0.00 C ATOM 498 OG SER A 30 5.191 3.324 10.892 1.00 0.00 O ATOM 0 H SER A 30 8.204 4.001 8.603 1.00 0.00 H new ATOM 0 HA SER A 30 6.604 1.591 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.252 3.424 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.509 4.614 9.959 1.00 0.00 H new ATOM 0 HG SER A 30 4.500 3.854 10.443 1.00 0.00 H new ATOM 504 N ASN A 31 4.904 3.998 8.056 1.00 0.00 N ATOM 505 CA ASN A 31 3.807 4.257 7.078 1.00 0.00 C ATOM 506 C ASN A 31 3.857 5.707 6.602 1.00 0.00 C ATOM 507 O ASN A 31 3.796 5.978 5.424 1.00 0.00 O ATOM 508 CB ASN A 31 2.514 3.984 7.847 1.00 0.00 C ATOM 509 CG ASN A 31 2.587 4.649 9.222 1.00 0.00 C ATOM 510 OD1 ASN A 31 3.118 4.084 10.157 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.070 5.836 9.387 1.00 0.00 N ATOM 0 H ASN A 31 5.119 4.774 8.682 1.00 0.00 H new ATOM 0 HA ASN A 31 3.889 3.630 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.659 4.369 7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.365 2.910 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.112 6.288 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.624 6.311 8.603 1.00 0.00 H new ATOM 518 N VAL A 32 3.984 6.645 7.503 1.00 0.00 N ATOM 519 CA VAL A 32 4.057 8.069 7.071 1.00 0.00 C ATOM 520 C VAL A 32 4.996 8.182 5.873 1.00 0.00 C ATOM 521 O VAL A 32 4.590 8.535 4.782 1.00 0.00 O ATOM 522 CB VAL A 32 4.622 8.827 8.274 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.717 10.316 7.941 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.699 8.632 9.478 1.00 0.00 C ATOM 0 H VAL A 32 4.040 6.488 8.509 1.00 0.00 H new ATOM 0 HA VAL A 32 3.089 8.469 6.769 1.00 0.00 H new ATOM 0 HB VAL A 32 5.615 8.444 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.120 10.856 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.375 10.456 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.725 10.700 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.101 9.172 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.706 9.015 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.631 7.571 9.716 1.00 0.00 H new ATOM 534 N GLU A 33 6.241 7.836 6.053 1.00 0.00 N ATOM 535 CA GLU A 33 7.190 7.870 4.911 1.00 0.00 C ATOM 536 C GLU A 33 6.723 6.875 3.854 1.00 0.00 C ATOM 537 O GLU A 33 6.885 7.083 2.667 1.00 0.00 O ATOM 538 CB GLU A 33 8.533 7.443 5.501 1.00 0.00 C ATOM 539 CG GLU A 33 9.670 8.056 4.686 1.00 0.00 C ATOM 540 CD GLU A 33 9.811 9.537 5.042 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.292 9.822 6.125 1.00 0.00 O ATOM 542 OE2 GLU A 33 9.436 10.361 4.224 1.00 0.00 O ATOM 0 H GLU A 33 6.639 7.532 6.941 1.00 0.00 H new ATOM 0 HA GLU A 33 7.258 8.849 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.603 7.764 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.614 6.356 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.603 7.531 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.469 7.945 3.620 1.00 0.00 H new ATOM 549 N LEU A 34 6.109 5.805 4.284 1.00 0.00 N ATOM 550 CA LEU A 34 5.587 4.800 3.321 1.00 0.00 C ATOM 551 C LEU A 34 4.390 5.384 2.574 1.00 0.00 C ATOM 552 O LEU A 34 3.955 4.863 1.570 1.00 0.00 O ATOM 553 CB LEU A 34 5.154 3.614 4.183 1.00 0.00 C ATOM 554 CG LEU A 34 5.478 2.310 3.456 1.00 0.00 C ATOM 555 CD1 LEU A 34 4.865 1.134 4.218 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.898 2.356 2.041 1.00 0.00 C ATOM 0 H LEU A 34 5.947 5.585 5.267 1.00 0.00 H new ATOM 0 HA LEU A 34 6.326 4.508 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.666 3.644 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.085 3.672 4.389 1.00 0.00 H new ATOM 0 HG LEU A 34 6.559 2.185 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.096 0.204 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.277 1.099 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.784 1.260 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.129 1.426 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.817 2.482 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.334 3.193 1.496 1.00 0.00 H new ATOM 568 N SER A 35 3.845 6.458 3.077 1.00 0.00 N ATOM 569 CA SER A 35 2.665 7.084 2.421 1.00 0.00 C ATOM 570 C SER A 35 3.108 8.088 1.348 1.00 0.00 C ATOM 571 O SER A 35 2.481 8.226 0.318 1.00 0.00 O ATOM 572 CB SER A 35 1.938 7.807 3.547 1.00 0.00 C ATOM 573 OG SER A 35 2.516 9.092 3.734 1.00 0.00 O ATOM 0 H SER A 35 4.170 6.931 3.920 1.00 0.00 H new ATOM 0 HA SER A 35 2.037 6.347 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.879 7.904 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.005 7.228 4.468 1.00 0.00 H new ATOM 0 HG SER A 35 3.219 9.039 4.415 1.00 0.00 H new ATOM 579 N LYS A 36 4.165 8.812 1.600 1.00 0.00 N ATOM 580 CA LYS A 36 4.626 9.835 0.611 1.00 0.00 C ATOM 581 C LYS A 36 5.513 9.204 -0.470 1.00 0.00 C ATOM 582 O LYS A 36 5.534 9.648 -1.601 1.00 0.00 O ATOM 583 CB LYS A 36 5.433 10.836 1.436 1.00 0.00 C ATOM 584 CG LYS A 36 4.487 11.864 2.059 1.00 0.00 C ATOM 585 CD LYS A 36 4.555 11.760 3.584 1.00 0.00 C ATOM 586 CE LYS A 36 5.179 13.035 4.156 1.00 0.00 C ATOM 587 NZ LYS A 36 4.503 13.234 5.466 1.00 0.00 N ATOM 0 H LYS A 36 4.730 8.741 2.446 1.00 0.00 H new ATOM 0 HA LYS A 36 3.788 10.297 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.988 10.316 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.166 11.337 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.763 12.869 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.467 11.690 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.555 11.616 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.146 10.891 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.257 12.927 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.017 13.886 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.876 14.091 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.479 13.340 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.680 12.411 6.077 1.00 0.00 H new ATOM 601 N ARG A 37 6.261 8.193 -0.130 1.00 0.00 N ATOM 602 CA ARG A 37 7.162 7.562 -1.141 1.00 0.00 C ATOM 603 C ARG A 37 6.350 6.888 -2.239 1.00 0.00 C ATOM 604 O ARG A 37 6.853 6.590 -3.305 1.00 0.00 O ATOM 605 CB ARG A 37 7.966 6.527 -0.361 1.00 0.00 C ATOM 606 CG ARG A 37 9.037 7.234 0.467 1.00 0.00 C ATOM 607 CD ARG A 37 10.264 6.331 0.585 1.00 0.00 C ATOM 608 NE ARG A 37 11.120 6.978 1.616 1.00 0.00 N ATOM 609 CZ ARG A 37 12.349 7.305 1.330 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.590 8.340 0.571 1.00 0.00 N ATOM 611 NH2 ARG A 37 13.340 6.596 1.800 1.00 0.00 N ATOM 0 H ARG A 37 6.290 7.775 0.800 1.00 0.00 H new ATOM 0 HA ARG A 37 7.802 8.296 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.306 5.954 0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.430 5.819 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.311 8.179 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.649 7.471 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.983 5.321 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.787 6.249 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 37 10.745 7.166 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.816 8.893 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.552 8.596 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.152 5.786 2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.302 6.852 1.576 1.00 0.00 H new ATOM 625 N VAL A 38 5.104 6.653 -1.994 1.00 0.00 N ATOM 626 CA VAL A 38 4.254 6.003 -3.034 1.00 0.00 C ATOM 627 C VAL A 38 3.252 7.010 -3.599 1.00 0.00 C ATOM 628 O VAL A 38 2.582 6.754 -4.580 1.00 0.00 O ATOM 629 CB VAL A 38 3.536 4.850 -2.322 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.442 3.619 -2.312 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.212 5.252 -0.882 1.00 0.00 C ATOM 0 H VAL A 38 4.628 6.879 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 38 4.843 5.639 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 38 2.610 4.622 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.934 2.798 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.671 3.328 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.367 3.853 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.702 4.429 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.136 5.483 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.567 6.130 -0.886 1.00 0.00 H new ATOM 641 N GLY A 39 3.174 8.168 -3.010 1.00 0.00 N ATOM 642 CA GLY A 39 2.253 9.215 -3.533 1.00 0.00 C ATOM 643 C GLY A 39 0.847 9.038 -2.946 1.00 0.00 C ATOM 644 O GLY A 39 -0.142 9.143 -3.646 1.00 0.00 O ATOM 0 H GLY A 39 3.710 8.437 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.637 10.204 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.209 9.158 -4.621 1.00 0.00 H new ATOM 648 N LEU A 40 0.743 8.798 -1.666 1.00 0.00 N ATOM 649 CA LEU A 40 -0.614 8.649 -1.046 1.00 0.00 C ATOM 650 C LEU A 40 -0.581 9.045 0.422 1.00 0.00 C ATOM 651 O LEU A 40 0.465 9.127 1.034 1.00 0.00 O ATOM 652 CB LEU A 40 -0.964 7.166 -1.162 1.00 0.00 C ATOM 653 CG LEU A 40 0.256 6.323 -0.818 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.081 5.384 0.345 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.659 5.499 -2.037 1.00 0.00 C ATOM 0 H LEU A 40 1.530 8.699 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.344 9.288 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.787 6.923 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.301 6.940 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 40 1.080 6.975 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.793 4.781 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.372 5.972 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.904 4.730 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.533 4.894 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.166 4.847 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.899 6.167 -2.865 1.00 0.00 H new ATOM 667 N SER A 41 -1.726 9.237 1.009 1.00 0.00 N ATOM 668 CA SER A 41 -1.768 9.563 2.455 1.00 0.00 C ATOM 669 C SER A 41 -1.354 8.343 3.241 1.00 0.00 C ATOM 670 O SER A 41 -1.435 7.233 2.753 1.00 0.00 O ATOM 671 CB SER A 41 -3.220 9.918 2.749 1.00 0.00 C ATOM 672 OG SER A 41 -3.347 11.327 2.878 1.00 0.00 O ATOM 0 H SER A 41 -2.634 9.182 0.548 1.00 0.00 H new ATOM 0 HA SER A 41 -1.099 10.381 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.863 9.556 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.547 9.427 3.666 1.00 0.00 H new ATOM 0 HG SER A 41 -4.281 11.555 3.065 1.00 0.00 H new ATOM 678 N PRO A 42 -0.898 8.575 4.422 1.00 0.00 N ATOM 679 CA PRO A 42 -0.442 7.470 5.257 1.00 0.00 C ATOM 680 C PRO A 42 -1.630 6.685 5.801 1.00 0.00 C ATOM 681 O PRO A 42 -1.676 5.475 5.705 1.00 0.00 O ATOM 682 CB PRO A 42 0.334 8.154 6.370 1.00 0.00 C ATOM 683 CG PRO A 42 -0.240 9.537 6.453 1.00 0.00 C ATOM 684 CD PRO A 42 -0.769 9.877 5.081 1.00 0.00 C ATOM 0 HA PRO A 42 0.166 6.745 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.220 7.622 7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.401 8.182 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.037 9.580 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.522 10.253 6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.728 10.393 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.086 10.533 4.541 1.00 0.00 H new ATOM 692 N THR A 43 -2.606 7.355 6.351 1.00 0.00 N ATOM 693 CA THR A 43 -3.798 6.627 6.871 1.00 0.00 C ATOM 694 C THR A 43 -4.156 5.482 5.912 1.00 0.00 C ATOM 695 O THR A 43 -4.234 4.339 6.314 1.00 0.00 O ATOM 696 CB THR A 43 -4.917 7.677 6.926 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.942 8.271 8.217 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.269 7.012 6.647 1.00 0.00 C ATOM 0 H THR A 43 -2.630 8.369 6.462 1.00 0.00 H new ATOM 0 HA THR A 43 -3.629 6.181 7.851 1.00 0.00 H new ATOM 0 HB THR A 43 -4.730 8.441 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.654 8.943 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.059 7.762 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.253 6.555 5.657 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.459 6.245 7.397 1.00 0.00 H new ATOM 706 N PRO A 44 -4.330 5.832 4.663 1.00 0.00 N ATOM 707 CA PRO A 44 -4.641 4.820 3.632 1.00 0.00 C ATOM 708 C PRO A 44 -3.380 4.032 3.270 1.00 0.00 C ATOM 709 O PRO A 44 -3.420 2.831 3.106 1.00 0.00 O ATOM 710 CB PRO A 44 -5.119 5.646 2.445 1.00 0.00 C ATOM 711 CG PRO A 44 -4.483 6.993 2.626 1.00 0.00 C ATOM 712 CD PRO A 44 -4.266 7.188 4.110 1.00 0.00 C ATOM 0 HA PRO A 44 -5.381 4.089 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.818 5.191 1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.206 5.722 2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.536 7.047 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.123 7.778 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.303 7.656 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.032 7.832 4.543 1.00 0.00 H new ATOM 720 N CYS A 45 -2.251 4.691 3.160 1.00 0.00 N ATOM 721 CA CYS A 45 -0.999 3.949 2.835 1.00 0.00 C ATOM 722 C CYS A 45 -0.990 2.643 3.613 1.00 0.00 C ATOM 723 O CYS A 45 -0.732 1.584 3.074 1.00 0.00 O ATOM 724 CB CYS A 45 0.140 4.855 3.294 1.00 0.00 C ATOM 725 SG CYS A 45 1.725 4.046 2.961 1.00 0.00 S ATOM 0 H CYS A 45 -2.146 5.698 3.280 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.909 3.710 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.091 5.811 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.044 5.067 4.359 1.00 0.00 H new ATOM 0 HG CYS A 45 2.273 4.581 1.911 1.00 0.00 H new ATOM 731 N LEU A 46 -1.335 2.703 4.868 1.00 0.00 N ATOM 732 CA LEU A 46 -1.419 1.464 5.671 1.00 0.00 C ATOM 733 C LEU A 46 -2.532 0.596 5.107 1.00 0.00 C ATOM 734 O LEU A 46 -2.362 -0.583 4.882 1.00 0.00 O ATOM 735 CB LEU A 46 -1.752 1.935 7.079 1.00 0.00 C ATOM 736 CG LEU A 46 -0.614 2.818 7.586 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.130 4.235 7.839 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.051 2.238 8.885 1.00 0.00 C ATOM 0 H LEU A 46 -1.562 3.562 5.369 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.503 0.874 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.689 2.491 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.889 1.079 7.740 1.00 0.00 H new ATOM 0 HG LEU A 46 0.174 2.852 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.314 4.860 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.522 4.651 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.923 4.205 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.761 2.870 9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.839 2.197 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.327 1.232 8.701 1.00 0.00 H new ATOM 750 N GLU A 47 -3.659 1.187 4.820 1.00 0.00 N ATOM 751 CA GLU A 47 -4.759 0.404 4.206 1.00 0.00 C ATOM 752 C GLU A 47 -4.200 -0.367 3.008 1.00 0.00 C ATOM 753 O GLU A 47 -4.574 -1.494 2.746 1.00 0.00 O ATOM 754 CB GLU A 47 -5.795 1.436 3.755 1.00 0.00 C ATOM 755 CG GLU A 47 -6.831 1.639 4.865 1.00 0.00 C ATOM 756 CD GLU A 47 -8.025 0.715 4.624 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.920 -0.455 4.952 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.026 1.193 4.115 1.00 0.00 O ATOM 0 H GLU A 47 -3.862 2.173 4.984 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.203 -0.318 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.305 2.382 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.286 1.099 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.385 1.428 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.160 2.678 4.884 1.00 0.00 H new ATOM 765 N ARG A 48 -3.268 0.228 2.304 1.00 0.00 N ATOM 766 CA ARG A 48 -2.637 -0.470 1.149 1.00 0.00 C ATOM 767 C ARG A 48 -1.671 -1.539 1.670 1.00 0.00 C ATOM 768 O ARG A 48 -1.707 -2.685 1.259 1.00 0.00 O ATOM 769 CB ARG A 48 -1.872 0.625 0.392 1.00 0.00 C ATOM 770 CG ARG A 48 -2.818 1.789 0.086 1.00 0.00 C ATOM 771 CD ARG A 48 -3.372 1.632 -1.331 1.00 0.00 C ATOM 772 NE ARG A 48 -4.846 1.526 -1.159 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.578 1.045 -2.125 1.00 0.00 C ATOM 774 NH1 ARG A 48 -6.043 1.839 -3.048 1.00 0.00 N ATOM 775 NH2 ARG A 48 -5.842 -0.230 -2.169 1.00 0.00 N ATOM 0 H ARG A 48 -2.919 1.169 2.483 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.364 -0.969 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.030 0.974 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.461 0.223 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.635 1.808 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.288 2.737 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.108 2.486 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.967 0.745 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.283 1.829 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.834 2.837 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.616 1.463 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.476 -0.852 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.415 -0.606 -2.925 1.00 0.00 H new ATOM 789 N VAL A 49 -0.827 -1.177 2.599 1.00 0.00 N ATOM 790 CA VAL A 49 0.120 -2.168 3.175 1.00 0.00 C ATOM 791 C VAL A 49 -0.661 -3.236 3.942 1.00 0.00 C ATOM 792 O VAL A 49 -0.561 -4.413 3.661 1.00 0.00 O ATOM 793 CB VAL A 49 1.014 -1.352 4.124 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.159 -2.080 5.464 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.397 -1.178 3.496 1.00 0.00 C ATOM 0 H VAL A 49 -0.754 -0.235 2.983 1.00 0.00 H new ATOM 0 HA VAL A 49 0.708 -2.685 2.417 1.00 0.00 H new ATOM 0 HB VAL A 49 0.557 -0.377 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.794 -1.495 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.176 -2.206 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.611 -3.058 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.031 -0.600 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.845 -2.157 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.302 -0.653 2.546 1.00 0.00 H new ATOM 805 N ARG A 50 -1.449 -2.832 4.904 1.00 0.00 N ATOM 806 CA ARG A 50 -2.243 -3.825 5.674 1.00 0.00 C ATOM 807 C ARG A 50 -2.852 -4.838 4.717 1.00 0.00 C ATOM 808 O ARG A 50 -2.814 -6.028 4.949 1.00 0.00 O ATOM 809 CB ARG A 50 -3.330 -3.016 6.376 1.00 0.00 C ATOM 810 CG ARG A 50 -2.872 -2.693 7.799 1.00 0.00 C ATOM 811 CD ARG A 50 -2.604 -1.194 7.916 1.00 0.00 C ATOM 812 NE ARG A 50 -3.909 -0.601 8.318 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.331 -0.724 9.547 1.00 0.00 C ATOM 814 NH1 ARG A 50 -3.583 -0.320 10.537 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.501 -1.251 9.787 1.00 0.00 N ATOM 0 H ARG A 50 -1.575 -1.860 5.186 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.639 -4.380 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.528 -2.096 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.262 -3.580 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.636 -2.994 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.970 -3.255 8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.831 -0.988 8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.257 -0.780 6.969 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.473 -0.099 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.669 0.092 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.913 -0.416 11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.086 -1.567 9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.830 -1.347 10.748 1.00 0.00 H new ATOM 829 N ARG A 51 -3.370 -4.380 3.616 1.00 0.00 N ATOM 830 CA ARG A 51 -3.927 -5.329 2.618 1.00 0.00 C ATOM 831 C ARG A 51 -2.863 -6.364 2.283 1.00 0.00 C ATOM 832 O ARG A 51 -3.124 -7.549 2.225 1.00 0.00 O ATOM 833 CB ARG A 51 -4.252 -4.482 1.388 1.00 0.00 C ATOM 834 CG ARG A 51 -4.588 -5.402 0.210 1.00 0.00 C ATOM 835 CD ARG A 51 -3.326 -5.660 -0.620 1.00 0.00 C ATOM 836 NE ARG A 51 -3.829 -5.989 -1.984 1.00 0.00 N ATOM 837 CZ ARG A 51 -4.512 -7.084 -2.181 1.00 0.00 C ATOM 838 NH1 ARG A 51 -3.892 -8.217 -2.369 1.00 0.00 N ATOM 839 NH2 ARG A 51 -5.817 -7.046 -2.190 1.00 0.00 N ATOM 0 H ARG A 51 -3.432 -3.394 3.364 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.810 -5.855 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.093 -3.822 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.403 -3.846 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.993 -6.345 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.357 -4.945 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.678 -4.784 -0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.741 -6.481 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.640 -5.359 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.872 -8.248 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.427 -9.072 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.302 -6.161 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.351 -7.901 -2.344 1.00 0.00 H new ATOM 853 N LEU A 52 -1.649 -5.919 2.089 1.00 0.00 N ATOM 854 CA LEU A 52 -0.547 -6.870 1.789 1.00 0.00 C ATOM 855 C LEU A 52 -0.236 -7.711 3.030 1.00 0.00 C ATOM 856 O LEU A 52 0.399 -8.742 2.950 1.00 0.00 O ATOM 857 CB LEU A 52 0.647 -5.988 1.427 1.00 0.00 C ATOM 858 CG LEU A 52 0.404 -5.331 0.067 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.418 -4.206 -0.144 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.564 -6.375 -1.040 1.00 0.00 C ATOM 0 H LEU A 52 -1.376 -4.937 2.126 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.799 -7.562 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.793 -5.224 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.558 -6.586 1.396 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.606 -4.921 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.245 -3.738 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.305 -3.462 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.428 -4.616 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.391 -5.907 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.573 -6.785 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.158 -7.178 -0.890 1.00 0.00 H new ATOM 872 N GLU A 53 -0.681 -7.274 4.176 1.00 0.00 N ATOM 873 CA GLU A 53 -0.413 -8.044 5.425 1.00 0.00 C ATOM 874 C GLU A 53 -1.321 -9.275 5.496 1.00 0.00 C ATOM 875 O GLU A 53 -0.861 -10.392 5.619 1.00 0.00 O ATOM 876 CB GLU A 53 -0.740 -7.074 6.561 1.00 0.00 C ATOM 877 CG GLU A 53 0.534 -6.752 7.343 1.00 0.00 C ATOM 878 CD GLU A 53 0.170 -5.987 8.618 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.001 -5.691 8.792 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.068 -5.708 9.395 1.00 0.00 O ATOM 0 H GLU A 53 -1.219 -6.417 4.302 1.00 0.00 H new ATOM 0 HA GLU A 53 0.614 -8.405 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.172 -6.158 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.485 -7.513 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.061 -7.672 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.210 -6.156 6.729 1.00 0.00 H new ATOM 887 N ARG A 54 -2.609 -9.078 5.424 1.00 0.00 N ATOM 888 CA ARG A 54 -3.546 -10.234 5.491 1.00 0.00 C ATOM 889 C ARG A 54 -3.176 -11.282 4.439 1.00 0.00 C ATOM 890 O ARG A 54 -3.431 -12.459 4.604 1.00 0.00 O ATOM 891 CB ARG A 54 -4.923 -9.642 5.194 1.00 0.00 C ATOM 892 CG ARG A 54 -5.398 -8.824 6.397 1.00 0.00 C ATOM 893 CD ARG A 54 -6.374 -9.660 7.229 1.00 0.00 C ATOM 894 NE ARG A 54 -7.202 -8.665 7.964 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.647 -7.876 8.842 1.00 0.00 C ATOM 896 NH1 ARG A 54 -6.534 -8.259 10.084 1.00 0.00 N ATOM 897 NH2 ARG A 54 -6.204 -6.704 8.479 1.00 0.00 N ATOM 0 H ARG A 54 -3.053 -8.165 5.322 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.514 -10.734 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.875 -9.010 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.635 -10.439 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.545 -8.526 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.883 -7.908 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.991 -10.295 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.843 -10.318 7.917 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.203 -8.600 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.880 -9.176 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.100 -7.642 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.292 -6.404 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.770 -6.088 9.166 1.00 0.00 H new ATOM 911 N GLN A 55 -2.575 -10.868 3.358 1.00 0.00 N ATOM 912 CA GLN A 55 -2.189 -11.843 2.299 1.00 0.00 C ATOM 913 C GLN A 55 -0.827 -12.462 2.620 1.00 0.00 C ATOM 914 O GLN A 55 -0.180 -13.041 1.770 1.00 0.00 O ATOM 915 CB GLN A 55 -2.117 -11.022 1.012 1.00 0.00 C ATOM 916 CG GLN A 55 -3.522 -10.860 0.430 1.00 0.00 C ATOM 917 CD GLN A 55 -4.009 -12.206 -0.111 1.00 0.00 C ATOM 918 OE1 GLN A 55 -3.315 -12.856 -0.867 1.00 0.00 O ATOM 919 NE2 GLN A 55 -5.181 -12.654 0.247 1.00 0.00 N ATOM 0 H GLN A 55 -2.334 -9.896 3.162 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.899 -12.666 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.682 -10.044 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.467 -11.516 0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.205 -10.496 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.513 -10.117 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.764 -12.108 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.515 -13.550 -0.108 1.00 0.00 H new ATOM 928 N GLY A 56 -0.389 -12.348 3.844 1.00 0.00 N ATOM 929 CA GLY A 56 0.928 -12.933 4.225 1.00 0.00 C ATOM 930 C GLY A 56 2.023 -12.386 3.306 1.00 0.00 C ATOM 931 O GLY A 56 2.732 -13.131 2.658 1.00 0.00 O ATOM 0 H GLY A 56 -0.887 -11.874 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.157 -12.691 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.888 -14.020 4.152 1.00 0.00 H new ATOM 935 N PHE A 57 2.175 -11.090 3.249 1.00 0.00 N ATOM 936 CA PHE A 57 3.236 -10.504 2.378 1.00 0.00 C ATOM 937 C PHE A 57 3.957 -9.368 3.112 1.00 0.00 C ATOM 938 O PHE A 57 4.784 -8.678 2.551 1.00 0.00 O ATOM 939 CB PHE A 57 2.496 -9.969 1.151 1.00 0.00 C ATOM 940 CG PHE A 57 2.105 -11.123 0.261 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.067 -12.063 -0.127 1.00 0.00 C ATOM 942 CD2 PHE A 57 0.781 -11.258 -0.169 1.00 0.00 C ATOM 943 CE1 PHE A 57 2.705 -13.136 -0.948 1.00 0.00 C ATOM 944 CE2 PHE A 57 0.417 -12.333 -0.989 1.00 0.00 C ATOM 945 CZ PHE A 57 1.379 -13.272 -1.379 1.00 0.00 C ATOM 0 H PHE A 57 1.613 -10.414 3.766 1.00 0.00 H new ATOM 0 HA PHE A 57 3.996 -11.236 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.609 -9.416 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.131 -9.272 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.089 -11.960 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.039 -10.533 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.448 -13.860 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.606 -12.438 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.099 -14.101 -2.012 1.00 0.00 H new ATOM 955 N ILE A 58 3.656 -9.181 4.367 1.00 0.00 N ATOM 956 CA ILE A 58 4.331 -8.103 5.145 1.00 0.00 C ATOM 957 C ILE A 58 4.817 -8.652 6.488 1.00 0.00 C ATOM 958 O ILE A 58 4.848 -7.955 7.482 1.00 0.00 O ATOM 959 CB ILE A 58 3.264 -7.029 5.352 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.526 -6.784 4.032 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.930 -5.730 5.808 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.481 -6.141 3.025 1.00 0.00 C ATOM 0 H ILE A 58 2.971 -9.728 4.889 1.00 0.00 H new ATOM 0 HA ILE A 58 5.205 -7.705 4.630 1.00 0.00 H new ATOM 0 HB ILE A 58 2.556 -7.362 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.144 -7.725 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.666 -6.135 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.169 -4.963 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.459 -5.902 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.637 -5.397 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.956 -5.967 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.842 -5.192 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.327 -6.806 2.850 1.00 0.00 H new