USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=7 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 :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 21 ASN : amide:sc=-0.00585 K(o=-0.0058,f=-1.6!) USER MOD Single : A 24 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.021) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 0.565 (180deg=-0.805) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.06! C(o=-2.1!,f=-14!) USER MOD Single : A 35 SER OG : rot -85:sc= 0.578 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 107:sc= -5.11! USER MOD Single : A 55 GLN : amide:sc= -0.281 K(o=-0.28,f=-1) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -2.751 -3.699 -6.388 1.00 0.00 N ATOM 202 CA ASP A 13 -2.852 -2.251 -6.726 1.00 0.00 C ATOM 203 C ASP A 13 -1.461 -1.651 -6.907 1.00 0.00 C ATOM 204 O ASP A 13 -0.459 -2.296 -6.667 1.00 0.00 O ATOM 205 CB ASP A 13 -3.559 -1.614 -5.529 1.00 0.00 C ATOM 206 CG ASP A 13 -4.248 -0.322 -5.971 1.00 0.00 C ATOM 207 OD1 ASP A 13 -4.979 -0.368 -6.946 1.00 0.00 O ATOM 208 OD2 ASP A 13 -4.034 0.691 -5.327 1.00 0.00 O ATOM 0 HA ASP A 13 -3.393 -2.082 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.292 -2.307 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.839 -1.403 -4.738 1.00 0.00 H new ATOM 213 N ARG A 14 -1.388 -0.423 -7.337 1.00 0.00 N ATOM 214 CA ARG A 14 -0.061 0.213 -7.543 1.00 0.00 C ATOM 215 C ARG A 14 0.510 0.700 -6.207 1.00 0.00 C ATOM 216 O ARG A 14 1.703 0.879 -6.058 1.00 0.00 O ATOM 217 CB ARG A 14 -0.331 1.395 -8.475 1.00 0.00 C ATOM 218 CG ARG A 14 -1.037 0.899 -9.739 1.00 0.00 C ATOM 219 CD ARG A 14 -0.323 -0.348 -10.270 1.00 0.00 C ATOM 220 NE ARG A 14 -0.693 -0.417 -11.710 1.00 0.00 N ATOM 221 CZ ARG A 14 0.234 -0.348 -12.625 1.00 0.00 C ATOM 222 NH1 ARG A 14 1.384 -0.936 -12.437 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.012 0.311 -13.730 1.00 0.00 N ATOM 0 H ARG A 14 -2.191 0.167 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 14 0.668 -0.480 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.948 2.137 -7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.606 1.886 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.079 0.668 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.038 1.681 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.757 -0.269 -10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.642 -1.243 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.671 -0.518 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.559 -1.450 -11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.108 -0.881 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.886 0.772 -13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.737 0.365 -14.446 1.00 0.00 H new ATOM 237 N ILE A 15 -0.334 0.918 -5.234 1.00 0.00 N ATOM 238 CA ILE A 15 0.161 1.395 -3.909 1.00 0.00 C ATOM 239 C ILE A 15 0.743 0.233 -3.106 1.00 0.00 C ATOM 240 O ILE A 15 1.640 0.408 -2.308 1.00 0.00 O ATOM 241 CB ILE A 15 -1.069 1.965 -3.210 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.825 2.880 -4.177 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.630 2.768 -1.987 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.840 3.844 -4.842 1.00 0.00 C ATOM 0 H ILE A 15 -1.343 0.787 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 15 0.954 2.135 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.721 1.150 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.335 2.285 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.592 3.439 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.508 3.176 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.089 2.117 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.021 3.584 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.378 4.496 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.350 4.448 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.090 3.276 -5.391 1.00 0.00 H new ATOM 256 N ASP A 16 0.248 -0.954 -3.312 1.00 0.00 N ATOM 257 CA ASP A 16 0.783 -2.122 -2.559 1.00 0.00 C ATOM 258 C ASP A 16 2.066 -2.629 -3.219 1.00 0.00 C ATOM 259 O ASP A 16 3.018 -2.990 -2.554 1.00 0.00 O ATOM 260 CB ASP A 16 -0.315 -3.183 -2.639 1.00 0.00 C ATOM 261 CG ASP A 16 -1.536 -2.712 -1.848 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.351 -1.974 -0.895 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.636 -3.096 -2.208 1.00 0.00 O ATOM 0 H ASP A 16 -0.503 -1.167 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 16 1.031 -1.871 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.588 -3.361 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.049 -4.129 -2.238 1.00 0.00 H new ATOM 268 N ARG A 17 2.104 -2.653 -4.522 1.00 0.00 N ATOM 269 CA ARG A 17 3.329 -3.130 -5.220 1.00 0.00 C ATOM 270 C ARG A 17 4.484 -2.175 -4.957 1.00 0.00 C ATOM 271 O ARG A 17 5.550 -2.574 -4.532 1.00 0.00 O ATOM 272 CB ARG A 17 2.964 -3.134 -6.706 1.00 0.00 C ATOM 273 CG ARG A 17 2.924 -4.575 -7.221 1.00 0.00 C ATOM 274 CD ARG A 17 2.941 -4.570 -8.751 1.00 0.00 C ATOM 275 NE ARG A 17 4.181 -5.306 -9.124 1.00 0.00 N ATOM 276 CZ ARG A 17 4.582 -5.324 -10.366 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.705 -4.207 -11.028 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.859 -6.460 -10.946 1.00 0.00 N ATOM 0 H ARG A 17 1.340 -2.363 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 17 3.644 -4.115 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.995 -2.657 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.694 -2.555 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.779 -5.133 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.027 -5.078 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.055 -5.058 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.953 -3.553 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 17 4.717 -5.796 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.488 -3.319 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.018 -4.221 -11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.762 -7.334 -10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.172 -6.474 -11.917 1.00 0.00 H new ATOM 292 N ASN A 18 4.276 -0.916 -5.184 1.00 0.00 N ATOM 293 CA ASN A 18 5.357 0.067 -4.923 1.00 0.00 C ATOM 294 C ASN A 18 5.696 0.062 -3.440 1.00 0.00 C ATOM 295 O ASN A 18 6.844 0.128 -3.054 1.00 0.00 O ATOM 296 CB ASN A 18 4.778 1.418 -5.342 1.00 0.00 C ATOM 297 CG ASN A 18 4.938 1.594 -6.853 1.00 0.00 C ATOM 298 OD1 ASN A 18 5.099 0.541 -7.608 1.00 0.00 O flip ATOM 299 ND2 ASN A 18 4.915 2.702 -7.353 1.00 0.00 N flip ATOM 0 H ASN A 18 3.405 -0.522 -5.539 1.00 0.00 H new ATOM 0 HA ASN A 18 6.274 -0.159 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.725 1.475 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.289 2.224 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.789 3.525 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.021 2.809 -8.362 1.00 0.00 H new ATOM 306 N ILE A 19 4.703 -0.046 -2.604 1.00 0.00 N ATOM 307 CA ILE A 19 4.968 -0.087 -1.145 1.00 0.00 C ATOM 308 C ILE A 19 5.773 -1.342 -0.806 1.00 0.00 C ATOM 309 O ILE A 19 6.667 -1.314 0.014 1.00 0.00 O ATOM 310 CB ILE A 19 3.587 -0.131 -0.489 1.00 0.00 C ATOM 311 CG1 ILE A 19 3.036 1.291 -0.369 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.698 -0.749 0.905 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.643 1.245 0.262 1.00 0.00 C ATOM 0 H ILE A 19 3.720 -0.107 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 19 5.546 0.769 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 19 2.917 -0.735 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.703 1.901 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.986 1.758 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.712 -0.779 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.091 -1.762 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.370 -0.147 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.249 2.258 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.979 0.649 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.707 0.795 1.253 1.00 0.00 H new ATOM 325 N LEU A 20 5.478 -2.442 -1.451 1.00 0.00 N ATOM 326 CA LEU A 20 6.248 -3.683 -1.178 1.00 0.00 C ATOM 327 C LEU A 20 7.666 -3.530 -1.727 1.00 0.00 C ATOM 328 O LEU A 20 8.628 -3.966 -1.125 1.00 0.00 O ATOM 329 CB LEU A 20 5.499 -4.788 -1.922 1.00 0.00 C ATOM 330 CG LEU A 20 4.373 -5.323 -1.037 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.696 -6.507 -1.733 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.952 -5.782 0.302 1.00 0.00 C ATOM 0 H LEU A 20 4.741 -2.530 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 20 6.331 -3.902 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.090 -4.401 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.184 -5.594 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 20 3.640 -4.535 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.893 -6.889 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.284 -6.181 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.429 -7.295 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.150 -6.164 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.685 -6.570 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.435 -4.940 0.798 1.00 0.00 H new ATOM 344 N ASN A 21 7.805 -2.887 -2.858 1.00 0.00 N ATOM 345 CA ASN A 21 9.161 -2.676 -3.430 1.00 0.00 C ATOM 346 C ASN A 21 9.923 -1.660 -2.581 1.00 0.00 C ATOM 347 O ASN A 21 11.133 -1.705 -2.475 1.00 0.00 O ATOM 348 CB ASN A 21 8.915 -2.127 -4.836 1.00 0.00 C ATOM 349 CG ASN A 21 8.512 -3.270 -5.768 1.00 0.00 C ATOM 350 OD1 ASN A 21 8.228 -4.364 -5.319 1.00 0.00 O ATOM 351 ND2 ASN A 21 8.473 -3.063 -7.055 1.00 0.00 N ATOM 0 H ASN A 21 7.037 -2.501 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 21 9.755 -3.589 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.130 -1.371 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.815 -1.639 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.204 -3.819 -7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.711 -2.145 -7.431 1.00 0.00 H new ATOM 358 N GLU A 22 9.218 -0.754 -1.959 1.00 0.00 N ATOM 359 CA GLU A 22 9.893 0.252 -1.096 1.00 0.00 C ATOM 360 C GLU A 22 10.168 -0.347 0.280 1.00 0.00 C ATOM 361 O GLU A 22 11.125 0.005 0.941 1.00 0.00 O ATOM 362 CB GLU A 22 8.909 1.418 -0.994 1.00 0.00 C ATOM 363 CG GLU A 22 8.542 1.900 -2.400 1.00 0.00 C ATOM 364 CD GLU A 22 9.381 3.129 -2.755 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.517 3.194 -2.314 1.00 0.00 O ATOM 366 OE2 GLU A 22 8.875 3.984 -3.464 1.00 0.00 O ATOM 0 H GLU A 22 8.203 -0.669 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 22 10.852 0.573 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.012 1.105 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.353 2.233 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.717 1.105 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.481 2.145 -2.446 1.00 0.00 H new ATOM 373 N LEU A 23 9.352 -1.272 0.709 1.00 0.00 N ATOM 374 CA LEU A 23 9.591 -1.908 2.030 1.00 0.00 C ATOM 375 C LEU A 23 10.876 -2.732 1.973 1.00 0.00 C ATOM 376 O LEU A 23 11.645 -2.772 2.914 1.00 0.00 O ATOM 377 CB LEU A 23 8.382 -2.814 2.263 1.00 0.00 C ATOM 378 CG LEU A 23 7.638 -2.369 3.527 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.645 -2.101 4.650 1.00 0.00 C ATOM 380 CD2 LEU A 23 6.853 -1.090 3.231 1.00 0.00 C ATOM 0 H LEU A 23 8.535 -1.611 0.202 1.00 0.00 H new ATOM 0 HA LEU A 23 9.706 -1.179 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.714 -2.773 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.706 -3.850 2.366 1.00 0.00 H new ATOM 0 HG LEU A 23 6.951 -3.156 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.113 -1.785 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.205 -3.012 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.334 -1.315 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.323 -0.772 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.541 -0.305 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.134 -1.280 2.434 1.00 0.00 H new ATOM 392 N GLN A 24 11.124 -3.374 0.864 1.00 0.00 N ATOM 393 CA GLN A 24 12.370 -4.178 0.730 1.00 0.00 C ATOM 394 C GLN A 24 13.556 -3.250 0.463 1.00 0.00 C ATOM 395 O GLN A 24 14.622 -3.409 1.024 1.00 0.00 O ATOM 396 CB GLN A 24 12.125 -5.094 -0.469 1.00 0.00 C ATOM 397 CG GLN A 24 11.123 -6.184 -0.084 1.00 0.00 C ATOM 398 CD GLN A 24 11.855 -7.517 0.075 1.00 0.00 C ATOM 399 OE1 GLN A 24 11.372 -8.544 -0.358 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.011 -7.544 0.680 1.00 0.00 N ATOM 0 H GLN A 24 10.516 -3.376 0.045 1.00 0.00 H new ATOM 0 HA GLN A 24 12.600 -4.746 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.743 -4.515 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.063 -5.546 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.621 -5.919 0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.351 -6.270 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.417 -6.682 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.509 -8.427 0.789 1.00 0.00 H new ATOM 409 N LYS A 25 13.375 -2.272 -0.385 1.00 0.00 N ATOM 410 CA LYS A 25 14.488 -1.324 -0.681 1.00 0.00 C ATOM 411 C LYS A 25 14.672 -0.355 0.484 1.00 0.00 C ATOM 412 O LYS A 25 15.761 0.112 0.749 1.00 0.00 O ATOM 413 CB LYS A 25 14.051 -0.585 -1.960 1.00 0.00 C ATOM 414 CG LYS A 25 13.861 0.910 -1.669 1.00 0.00 C ATOM 415 CD LYS A 25 13.622 1.659 -2.981 1.00 0.00 C ATOM 416 CE LYS A 25 13.274 3.120 -2.679 1.00 0.00 C ATOM 417 NZ LYS A 25 12.498 3.582 -3.863 1.00 0.00 N ATOM 0 H LYS A 25 12.505 -2.089 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 25 15.445 -1.828 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.800 -0.719 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.121 -1.011 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.016 1.056 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.742 1.308 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.512 1.608 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.812 1.189 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.687 3.205 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.173 3.719 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.981 4.393 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.426 2.808 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.544 3.868 -3.563 1.00 0.00 H new ATOM 431 N ASP A 26 13.622 -0.060 1.189 1.00 0.00 N ATOM 432 CA ASP A 26 13.747 0.865 2.342 1.00 0.00 C ATOM 433 C ASP A 26 13.026 0.288 3.560 1.00 0.00 C ATOM 434 O ASP A 26 12.187 0.932 4.160 1.00 0.00 O ATOM 435 CB ASP A 26 13.079 2.164 1.887 1.00 0.00 C ATOM 436 CG ASP A 26 14.138 3.113 1.324 1.00 0.00 C ATOM 437 OD1 ASP A 26 14.721 3.848 2.104 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.349 3.088 0.123 1.00 0.00 O ATOM 0 H ASP A 26 12.683 -0.419 1.017 1.00 0.00 H new ATOM 0 HA ASP A 26 14.785 1.024 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.326 1.952 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.564 2.633 2.725 1.00 0.00 H new ATOM 443 N GLY A 27 13.342 -0.923 3.928 1.00 0.00 N ATOM 444 CA GLY A 27 12.676 -1.541 5.106 1.00 0.00 C ATOM 445 C GLY A 27 12.815 -0.613 6.312 1.00 0.00 C ATOM 446 O GLY A 27 13.227 0.523 6.189 1.00 0.00 O ATOM 0 H GLY A 27 14.034 -1.511 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.623 -1.719 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.125 -2.510 5.325 1.00 0.00 H new ATOM 450 N ARG A 28 12.476 -1.087 7.478 1.00 0.00 N ATOM 451 CA ARG A 28 12.591 -0.228 8.688 1.00 0.00 C ATOM 452 C ARG A 28 11.828 1.083 8.480 1.00 0.00 C ATOM 453 O ARG A 28 12.024 2.047 9.195 1.00 0.00 O ATOM 454 CB ARG A 28 14.087 0.044 8.832 1.00 0.00 C ATOM 455 CG ARG A 28 14.861 -1.266 8.676 1.00 0.00 C ATOM 456 CD ARG A 28 15.594 -1.268 7.333 1.00 0.00 C ATOM 457 NE ARG A 28 15.494 -2.671 6.845 1.00 0.00 N ATOM 458 CZ ARG A 28 16.477 -3.503 7.048 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.701 -3.144 6.772 1.00 0.00 N ATOM 460 NH2 ARG A 28 16.239 -4.691 7.529 1.00 0.00 N ATOM 0 H ARG A 28 12.125 -2.030 7.645 1.00 0.00 H new ATOM 0 HA ARG A 28 12.172 -0.703 9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.411 0.762 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.295 0.488 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.575 -1.379 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.178 -2.113 8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.135 -0.572 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.634 -0.963 7.450 1.00 0.00 H new ATOM 0 HE ARG A 28 14.657 -2.981 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.888 -2.214 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.471 -3.794 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.283 -4.971 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.009 -5.341 7.687 1.00 0.00 H new ATOM 474 N ILE A 29 10.956 1.126 7.509 1.00 0.00 N ATOM 475 CA ILE A 29 10.179 2.374 7.261 1.00 0.00 C ATOM 476 C ILE A 29 8.762 2.228 7.809 1.00 0.00 C ATOM 477 O ILE A 29 8.109 1.221 7.616 1.00 0.00 O ATOM 478 CB ILE A 29 10.162 2.538 5.739 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.308 3.752 5.368 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.574 1.283 5.087 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.510 4.085 3.890 1.00 0.00 C ATOM 0 H ILE A 29 10.748 0.352 6.878 1.00 0.00 H new ATOM 0 HA ILE A 29 10.619 3.241 7.754 1.00 0.00 H new ATOM 0 HB ILE A 29 11.182 2.684 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.256 3.544 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.584 4.607 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.565 1.406 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.183 0.418 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.555 1.131 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.902 4.950 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.561 4.311 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.212 3.232 3.281 1.00 0.00 H new ATOM 493 N SER A 30 8.289 3.220 8.508 1.00 0.00 N ATOM 494 CA SER A 30 6.923 3.136 9.090 1.00 0.00 C ATOM 495 C SER A 30 5.863 3.329 8.001 1.00 0.00 C ATOM 496 O SER A 30 5.917 2.718 6.953 1.00 0.00 O ATOM 497 CB SER A 30 6.862 4.272 10.110 1.00 0.00 C ATOM 498 OG SER A 30 7.918 4.121 11.048 1.00 0.00 O ATOM 0 H SER A 30 8.791 4.087 8.702 1.00 0.00 H new ATOM 0 HA SER A 30 6.727 2.165 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.945 5.234 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.901 4.263 10.624 1.00 0.00 H new ATOM 0 HG SER A 30 7.881 4.850 11.702 1.00 0.00 H new ATOM 504 N ASN A 31 4.893 4.173 8.245 1.00 0.00 N ATOM 505 CA ASN A 31 3.829 4.404 7.226 1.00 0.00 C ATOM 506 C ASN A 31 3.939 5.819 6.659 1.00 0.00 C ATOM 507 O ASN A 31 3.905 6.015 5.466 1.00 0.00 O ATOM 508 CB ASN A 31 2.512 4.228 7.986 1.00 0.00 C ATOM 509 CG ASN A 31 2.512 5.132 9.220 1.00 0.00 C ATOM 510 OD1 ASN A 31 3.534 5.671 9.592 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.399 5.321 9.875 1.00 0.00 N ATOM 0 H ASN A 31 4.793 4.711 9.106 1.00 0.00 H new ATOM 0 HA ASN A 31 3.907 3.719 6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.670 4.477 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.388 3.187 8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.388 5.922 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.540 4.868 9.562 1.00 0.00 H new ATOM 518 N VAL A 32 4.085 6.811 7.501 1.00 0.00 N ATOM 519 CA VAL A 32 4.211 8.204 6.981 1.00 0.00 C ATOM 520 C VAL A 32 5.147 8.209 5.775 1.00 0.00 C ATOM 521 O VAL A 32 4.727 8.411 4.653 1.00 0.00 O ATOM 522 CB VAL A 32 4.809 9.014 8.133 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.466 10.284 7.581 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.697 9.402 9.111 1.00 0.00 C ATOM 0 H VAL A 32 4.122 6.717 8.516 1.00 0.00 H new ATOM 0 HA VAL A 32 3.257 8.620 6.658 1.00 0.00 H new ATOM 0 HB VAL A 32 5.558 8.413 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.892 10.860 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.256 10.010 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.718 10.886 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.120 9.979 9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.950 10.003 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.228 8.500 9.505 1.00 0.00 H new ATOM 534 N GLU A 33 6.405 7.939 5.987 1.00 0.00 N ATOM 535 CA GLU A 33 7.344 7.880 4.840 1.00 0.00 C ATOM 536 C GLU A 33 6.822 6.860 3.834 1.00 0.00 C ATOM 537 O GLU A 33 7.081 6.941 2.652 1.00 0.00 O ATOM 538 CB GLU A 33 8.674 7.417 5.437 1.00 0.00 C ATOM 539 CG GLU A 33 9.828 8.139 4.739 1.00 0.00 C ATOM 540 CD GLU A 33 9.898 9.585 5.233 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.009 9.777 6.433 1.00 0.00 O ATOM 542 OE2 GLU A 33 9.842 10.477 4.403 1.00 0.00 O ATOM 0 H GLU A 33 6.819 7.758 6.901 1.00 0.00 H new ATOM 0 HA GLU A 33 7.452 8.834 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.696 7.624 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.782 6.339 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.768 7.627 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.683 8.119 3.659 1.00 0.00 H new ATOM 549 N LEU A 34 6.064 5.908 4.307 1.00 0.00 N ATOM 550 CA LEU A 34 5.489 4.883 3.399 1.00 0.00 C ATOM 551 C LEU A 34 4.293 5.465 2.649 1.00 0.00 C ATOM 552 O LEU A 34 3.860 4.940 1.646 1.00 0.00 O ATOM 553 CB LEU A 34 5.041 3.754 4.322 1.00 0.00 C ATOM 554 CG LEU A 34 5.385 2.408 3.688 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.080 1.284 4.680 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.546 2.212 2.423 1.00 0.00 C ATOM 0 H LEU A 34 5.819 5.798 5.291 1.00 0.00 H new ATOM 0 HA LEU A 34 6.202 4.541 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.531 3.847 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.968 3.820 4.500 1.00 0.00 H new ATOM 0 HG LEU A 34 6.444 2.388 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.325 0.323 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.676 1.423 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.021 1.304 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.791 1.252 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.487 2.232 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.762 3.013 1.716 1.00 0.00 H new ATOM 568 N SER A 35 3.743 6.535 3.150 1.00 0.00 N ATOM 569 CA SER A 35 2.562 7.158 2.491 1.00 0.00 C ATOM 570 C SER A 35 3.001 8.211 1.465 1.00 0.00 C ATOM 571 O SER A 35 2.503 8.264 0.359 1.00 0.00 O ATOM 572 CB SER A 35 1.798 7.821 3.625 1.00 0.00 C ATOM 573 OG SER A 35 2.322 9.123 3.848 1.00 0.00 O ATOM 0 H SER A 35 4.064 7.008 3.995 1.00 0.00 H new ATOM 0 HA SER A 35 1.963 6.426 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.738 7.881 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.881 7.223 4.533 1.00 0.00 H new ATOM 0 HG SER A 35 3.095 9.066 4.448 1.00 0.00 H new ATOM 579 N LYS A 36 3.897 9.078 1.849 1.00 0.00 N ATOM 580 CA LYS A 36 4.339 10.169 0.929 1.00 0.00 C ATOM 581 C LYS A 36 5.355 9.653 -0.100 1.00 0.00 C ATOM 582 O LYS A 36 5.508 10.218 -1.164 1.00 0.00 O ATOM 583 CB LYS A 36 4.987 11.199 1.859 1.00 0.00 C ATOM 584 CG LYS A 36 5.867 12.157 1.056 1.00 0.00 C ATOM 585 CD LYS A 36 6.912 12.777 1.985 1.00 0.00 C ATOM 586 CE LYS A 36 6.207 13.572 3.086 1.00 0.00 C ATOM 587 NZ LYS A 36 7.128 14.701 3.393 1.00 0.00 N ATOM 0 H LYS A 36 4.346 9.079 2.765 1.00 0.00 H new ATOM 0 HA LYS A 36 3.513 10.581 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.215 11.759 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.586 10.691 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.357 11.624 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.256 12.938 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.532 11.996 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.576 13.430 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.235 13.935 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.030 12.955 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.714 15.293 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.042 14.325 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.272 15.274 2.537 1.00 0.00 H new ATOM 601 N ARG A 37 6.059 8.602 0.207 1.00 0.00 N ATOM 602 CA ARG A 37 7.071 8.081 -0.761 1.00 0.00 C ATOM 603 C ARG A 37 6.386 7.335 -1.907 1.00 0.00 C ATOM 604 O ARG A 37 6.981 7.076 -2.934 1.00 0.00 O ATOM 605 CB ARG A 37 7.961 7.141 0.052 1.00 0.00 C ATOM 606 CG ARG A 37 7.251 5.804 0.264 1.00 0.00 C ATOM 607 CD ARG A 37 8.137 4.895 1.120 1.00 0.00 C ATOM 608 NE ARG A 37 7.508 3.549 1.036 1.00 0.00 N ATOM 609 CZ ARG A 37 8.146 2.500 1.487 1.00 0.00 C ATOM 610 NH1 ARG A 37 9.430 2.565 1.715 1.00 0.00 N ATOM 611 NH2 ARG A 37 7.501 1.389 1.710 1.00 0.00 N ATOM 0 H ARG A 37 5.981 8.081 1.080 1.00 0.00 H new ATOM 0 HA ARG A 37 7.649 8.884 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.906 6.982 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.198 7.593 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.290 5.962 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.045 5.332 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.160 4.876 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.182 5.246 2.151 1.00 0.00 H new ATOM 0 HE ARG A 37 6.580 3.444 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.935 3.434 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.928 1.747 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.498 1.337 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.000 0.572 2.062 1.00 0.00 H new ATOM 625 N VAL A 38 5.143 7.001 -1.745 1.00 0.00 N ATOM 626 CA VAL A 38 4.415 6.282 -2.837 1.00 0.00 C ATOM 627 C VAL A 38 3.410 7.220 -3.503 1.00 0.00 C ATOM 628 O VAL A 38 2.872 6.928 -4.553 1.00 0.00 O ATOM 629 CB VAL A 38 3.699 5.112 -2.156 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.660 3.927 -2.039 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.239 5.529 -0.761 1.00 0.00 C ATOM 0 H VAL A 38 4.593 7.191 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 38 5.091 5.933 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 38 2.832 4.825 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.152 3.093 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.987 3.624 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.526 4.218 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.730 4.693 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.104 5.819 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.554 6.373 -0.841 1.00 0.00 H new ATOM 641 N GLY A 39 3.179 8.358 -2.916 1.00 0.00 N ATOM 642 CA GLY A 39 2.235 9.337 -3.528 1.00 0.00 C ATOM 643 C GLY A 39 0.826 9.156 -2.949 1.00 0.00 C ATOM 644 O GLY A 39 -0.155 9.212 -3.662 1.00 0.00 O ATOM 0 H GLY A 39 3.603 8.655 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.584 10.353 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.211 9.201 -4.609 1.00 0.00 H new ATOM 648 N LEU A 40 0.714 8.955 -1.662 1.00 0.00 N ATOM 649 CA LEU A 40 -0.644 8.793 -1.051 1.00 0.00 C ATOM 650 C LEU A 40 -0.621 9.161 0.427 1.00 0.00 C ATOM 651 O LEU A 40 0.424 9.266 1.038 1.00 0.00 O ATOM 652 CB LEU A 40 -0.986 7.312 -1.199 1.00 0.00 C ATOM 653 CG LEU A 40 0.242 6.470 -0.882 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.109 5.443 0.196 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.703 5.747 -2.146 1.00 0.00 C ATOM 0 H LEU A 40 1.496 8.896 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.373 9.441 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.803 7.048 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.328 7.107 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 40 1.043 7.115 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.770 4.840 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.438 5.960 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.910 4.797 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.582 5.144 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.097 5.101 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.953 6.480 -2.913 1.00 0.00 H new ATOM 667 N SER A 41 -1.772 9.309 1.018 1.00 0.00 N ATOM 668 CA SER A 41 -1.825 9.612 2.470 1.00 0.00 C ATOM 669 C SER A 41 -1.454 8.370 3.246 1.00 0.00 C ATOM 670 O SER A 41 -1.557 7.271 2.742 1.00 0.00 O ATOM 671 CB SER A 41 -3.272 9.999 2.748 1.00 0.00 C ATOM 672 OG SER A 41 -3.412 11.409 2.645 1.00 0.00 O ATOM 0 H SER A 41 -2.678 9.233 0.556 1.00 0.00 H new ATOM 0 HA SER A 41 -1.137 10.406 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.935 9.504 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.564 9.665 3.744 1.00 0.00 H new ATOM 0 HG SER A 41 -4.343 11.659 2.822 1.00 0.00 H new ATOM 678 N PRO A 42 -1.007 8.577 4.436 1.00 0.00 N ATOM 679 CA PRO A 42 -0.587 7.452 5.267 1.00 0.00 C ATOM 680 C PRO A 42 -1.796 6.680 5.786 1.00 0.00 C ATOM 681 O PRO A 42 -1.859 5.472 5.674 1.00 0.00 O ATOM 682 CB PRO A 42 0.184 8.105 6.401 1.00 0.00 C ATOM 683 CG PRO A 42 -0.356 9.500 6.489 1.00 0.00 C ATOM 684 CD PRO A 42 -0.856 9.868 5.112 1.00 0.00 C ATOM 0 HA PRO A 42 0.014 6.723 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.039 7.566 7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.255 8.109 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.163 9.556 7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.419 10.193 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.802 10.406 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.149 10.513 4.589 1.00 0.00 H new ATOM 692 N THR A 43 -2.766 7.359 6.337 1.00 0.00 N ATOM 693 CA THR A 43 -3.972 6.640 6.839 1.00 0.00 C ATOM 694 C THR A 43 -4.341 5.517 5.860 1.00 0.00 C ATOM 695 O THR A 43 -4.447 4.369 6.243 1.00 0.00 O ATOM 696 CB THR A 43 -5.075 7.707 6.905 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.133 8.241 8.220 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.429 7.084 6.549 1.00 0.00 C ATOM 0 H THR A 43 -2.776 8.371 6.461 1.00 0.00 H new ATOM 0 HA THR A 43 -3.816 6.175 7.812 1.00 0.00 H new ATOM 0 HB THR A 43 -4.849 8.501 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.835 8.924 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.205 7.848 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.387 6.674 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.659 6.286 7.255 1.00 0.00 H new ATOM 706 N PRO A 44 -4.497 5.891 4.616 1.00 0.00 N ATOM 707 CA PRO A 44 -4.820 4.905 3.568 1.00 0.00 C ATOM 708 C PRO A 44 -3.568 4.117 3.175 1.00 0.00 C ATOM 709 O PRO A 44 -3.614 2.915 3.016 1.00 0.00 O ATOM 710 CB PRO A 44 -5.308 5.758 2.405 1.00 0.00 C ATOM 711 CG PRO A 44 -4.670 7.101 2.607 1.00 0.00 C ATOM 712 CD PRO A 44 -4.398 7.253 4.089 1.00 0.00 C ATOM 0 HA PRO A 44 -5.558 4.169 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.017 5.324 1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.395 5.835 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.744 7.176 2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.327 7.896 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.411 7.679 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.123 7.916 4.561 1.00 0.00 H new ATOM 720 N CYS A 45 -2.441 4.778 3.031 1.00 0.00 N ATOM 721 CA CYS A 45 -1.194 4.037 2.675 1.00 0.00 C ATOM 722 C CYS A 45 -1.182 2.715 3.414 1.00 0.00 C ATOM 723 O CYS A 45 -1.087 1.657 2.823 1.00 0.00 O ATOM 724 CB CYS A 45 -0.047 4.922 3.152 1.00 0.00 C ATOM 725 SG CYS A 45 1.528 4.077 2.864 1.00 0.00 S ATOM 0 H CYS A 45 -2.334 5.786 3.144 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.117 3.828 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.063 5.874 2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.163 5.146 4.212 1.00 0.00 H new ATOM 0 HG CYS A 45 2.147 4.641 1.870 1.00 0.00 H new ATOM 731 N LEU A 46 -1.343 2.761 4.702 1.00 0.00 N ATOM 732 CA LEU A 46 -1.412 1.507 5.473 1.00 0.00 C ATOM 733 C LEU A 46 -2.511 0.645 4.887 1.00 0.00 C ATOM 734 O LEU A 46 -2.306 -0.499 4.561 1.00 0.00 O ATOM 735 CB LEU A 46 -1.758 1.938 6.888 1.00 0.00 C ATOM 736 CG LEU A 46 -0.641 2.831 7.420 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.207 4.205 7.780 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.020 2.190 8.663 1.00 0.00 C ATOM 0 H LEU A 46 -1.429 3.617 5.250 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.487 0.930 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.706 2.475 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.880 1.065 7.529 1.00 0.00 H new ATOM 0 HG LEU A 46 0.124 2.947 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.407 4.840 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.643 4.663 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.975 4.093 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.778 2.829 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.784 2.070 9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.390 1.214 8.403 1.00 0.00 H new ATOM 750 N GLU A 47 -3.672 1.209 4.696 1.00 0.00 N ATOM 751 CA GLU A 47 -4.770 0.432 4.072 1.00 0.00 C ATOM 752 C GLU A 47 -4.204 -0.381 2.909 1.00 0.00 C ATOM 753 O GLU A 47 -4.564 -1.522 2.695 1.00 0.00 O ATOM 754 CB GLU A 47 -5.760 1.478 3.565 1.00 0.00 C ATOM 755 CG GLU A 47 -7.140 1.202 4.159 1.00 0.00 C ATOM 756 CD GLU A 47 -7.936 0.304 3.208 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.690 -0.890 3.209 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.776 0.828 2.496 1.00 0.00 O ATOM 0 H GLU A 47 -3.904 2.171 4.945 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.245 -0.264 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.425 2.477 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.809 1.451 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.039 0.720 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.672 2.140 4.321 1.00 0.00 H new ATOM 765 N ARG A 48 -3.280 0.195 2.180 1.00 0.00 N ATOM 766 CA ARG A 48 -2.644 -0.542 1.056 1.00 0.00 C ATOM 767 C ARG A 48 -1.684 -1.594 1.623 1.00 0.00 C ATOM 768 O ARG A 48 -1.725 -2.757 1.262 1.00 0.00 O ATOM 769 CB ARG A 48 -1.874 0.523 0.262 1.00 0.00 C ATOM 770 CG ARG A 48 -2.783 1.728 -0.002 1.00 0.00 C ATOM 771 CD ARG A 48 -3.448 1.578 -1.372 1.00 0.00 C ATOM 772 NE ARG A 48 -4.899 1.788 -1.119 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.763 0.881 -1.481 1.00 0.00 C ATOM 774 NH1 ARG A 48 -6.028 0.701 -2.747 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.362 0.154 -0.577 1.00 0.00 N ATOM 0 H ARG A 48 -2.941 1.147 2.319 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.367 -1.062 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.990 0.837 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.525 0.105 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.543 1.801 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.202 2.649 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.061 2.310 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.260 0.592 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.218 2.642 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.559 1.270 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.704 -0.008 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.154 0.296 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.038 -0.556 -0.859 1.00 0.00 H new ATOM 789 N VAL A 49 -0.837 -1.191 2.531 1.00 0.00 N ATOM 790 CA VAL A 49 0.113 -2.154 3.150 1.00 0.00 C ATOM 791 C VAL A 49 -0.662 -3.222 3.925 1.00 0.00 C ATOM 792 O VAL A 49 -0.339 -4.392 3.884 1.00 0.00 O ATOM 793 CB VAL A 49 0.975 -1.296 4.093 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.668 -1.638 5.553 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.453 -1.569 3.812 1.00 0.00 C ATOM 0 H VAL A 49 -0.763 -0.232 2.871 1.00 0.00 H new ATOM 0 HA VAL A 49 0.723 -2.682 2.417 1.00 0.00 H new ATOM 0 HB VAL A 49 0.749 -0.244 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.285 -1.023 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.385 -1.444 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.885 -2.691 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.068 -0.963 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.667 -2.624 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.680 -1.314 2.777 1.00 0.00 H new ATOM 805 N ARG A 50 -1.693 -2.828 4.617 1.00 0.00 N ATOM 806 CA ARG A 50 -2.499 -3.817 5.375 1.00 0.00 C ATOM 807 C ARG A 50 -2.941 -4.924 4.433 1.00 0.00 C ATOM 808 O ARG A 50 -2.801 -6.097 4.722 1.00 0.00 O ATOM 809 CB ARG A 50 -3.701 -3.034 5.906 1.00 0.00 C ATOM 810 CG ARG A 50 -3.211 -1.785 6.649 1.00 0.00 C ATOM 811 CD ARG A 50 -3.201 -2.053 8.152 1.00 0.00 C ATOM 812 NE ARG A 50 -4.621 -2.332 8.504 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.031 -2.178 9.735 1.00 0.00 C ATOM 814 NH1 ARG A 50 -4.558 -2.943 10.680 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.915 -1.262 10.020 1.00 0.00 N ATOM 0 H ARG A 50 -2.011 -1.862 4.689 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.945 -4.284 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.354 -2.747 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.290 -3.661 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.210 -1.518 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.860 -0.938 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.560 -2.900 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.819 -1.194 8.703 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.273 -2.643 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.868 -3.661 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.878 -2.823 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.287 -0.665 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.234 -1.143 10.981 1.00 0.00 H new ATOM 829 N ARG A 51 -3.427 -4.563 3.283 1.00 0.00 N ATOM 830 CA ARG A 51 -3.823 -5.596 2.292 1.00 0.00 C ATOM 831 C ARG A 51 -2.652 -6.557 2.095 1.00 0.00 C ATOM 832 O ARG A 51 -2.817 -7.760 2.051 1.00 0.00 O ATOM 833 CB ARG A 51 -4.125 -4.820 1.002 1.00 0.00 C ATOM 834 CG ARG A 51 -3.677 -5.638 -0.215 1.00 0.00 C ATOM 835 CD ARG A 51 -4.398 -6.988 -0.219 1.00 0.00 C ATOM 836 NE ARG A 51 -5.660 -6.745 -0.972 1.00 0.00 N ATOM 837 CZ ARG A 51 -6.699 -7.507 -0.765 1.00 0.00 C ATOM 838 NH1 ARG A 51 -7.431 -7.337 0.302 1.00 0.00 N ATOM 839 NH2 ARG A 51 -7.008 -8.439 -1.627 1.00 0.00 N ATOM 0 H ARG A 51 -3.567 -3.597 2.986 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.685 -6.186 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.192 -4.608 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.610 -3.860 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.898 -5.094 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.598 -5.790 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.793 -7.758 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.603 -7.330 0.796 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.712 -5.984 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.191 -6.608 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.243 -7.933 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.437 -8.571 -2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.820 -9.035 -1.465 1.00 0.00 H new ATOM 853 N LEU A 52 -1.461 -6.027 2.011 1.00 0.00 N ATOM 854 CA LEU A 52 -0.266 -6.899 1.856 1.00 0.00 C ATOM 855 C LEU A 52 -0.003 -7.655 3.162 1.00 0.00 C ATOM 856 O LEU A 52 0.635 -8.689 3.178 1.00 0.00 O ATOM 857 CB LEU A 52 0.886 -5.941 1.552 1.00 0.00 C ATOM 858 CG LEU A 52 0.578 -5.160 0.275 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.596 -4.028 0.112 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.664 -6.100 -0.930 1.00 0.00 C ATOM 0 H LEU A 52 -1.266 -5.026 2.043 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.392 -7.644 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.030 -5.253 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.815 -6.499 1.434 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.426 -4.740 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.377 -3.470 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.537 -3.359 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.600 -4.448 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.444 -5.544 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.668 -6.519 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.059 -6.907 -0.814 1.00 0.00 H new ATOM 872 N GLU A 53 -0.492 -7.140 4.257 1.00 0.00 N ATOM 873 CA GLU A 53 -0.272 -7.814 5.569 1.00 0.00 C ATOM 874 C GLU A 53 -1.042 -9.138 5.631 1.00 0.00 C ATOM 875 O GLU A 53 -0.460 -10.205 5.637 1.00 0.00 O ATOM 876 CB GLU A 53 -0.819 -6.831 6.607 1.00 0.00 C ATOM 877 CG GLU A 53 0.097 -6.812 7.831 1.00 0.00 C ATOM 878 CD GLU A 53 -0.039 -8.131 8.592 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.017 -8.825 8.364 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.837 -8.427 9.387 1.00 0.00 O ATOM 0 H GLU A 53 -1.036 -6.278 4.300 1.00 0.00 H new ATOM 0 HA GLU A 53 0.778 -8.054 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.887 -5.832 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.828 -7.121 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.132 -6.664 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.164 -5.977 8.481 1.00 0.00 H new ATOM 887 N ARG A 54 -2.344 -9.076 5.691 1.00 0.00 N ATOM 888 CA ARG A 54 -3.151 -10.332 5.768 1.00 0.00 C ATOM 889 C ARG A 54 -2.771 -11.288 4.634 1.00 0.00 C ATOM 890 O ARG A 54 -3.039 -12.472 4.693 1.00 0.00 O ATOM 891 CB ARG A 54 -4.602 -9.875 5.618 1.00 0.00 C ATOM 892 CG ARG A 54 -4.713 -8.904 4.441 1.00 0.00 C ATOM 893 CD ARG A 54 -6.086 -9.053 3.783 1.00 0.00 C ATOM 894 NE ARG A 54 -7.060 -8.694 4.849 1.00 0.00 N ATOM 895 CZ ARG A 54 -7.330 -7.439 5.088 1.00 0.00 C ATOM 896 NH1 ARG A 54 -8.135 -6.783 4.300 1.00 0.00 N ATOM 897 NH2 ARG A 54 -6.792 -6.841 6.115 1.00 0.00 N ATOM 0 H ARG A 54 -2.886 -8.212 5.690 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.982 -10.871 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.250 -10.736 5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.939 -9.391 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.573 -7.880 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.926 -9.106 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.184 -8.395 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.246 -10.071 3.428 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.516 -9.427 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.554 -7.250 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.345 -5.803 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.161 -7.354 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.002 -5.861 6.302 1.00 0.00 H new ATOM 911 N GLN A 55 -2.158 -10.787 3.597 1.00 0.00 N ATOM 912 CA GLN A 55 -1.773 -11.672 2.458 1.00 0.00 C ATOM 913 C GLN A 55 -0.404 -12.312 2.715 1.00 0.00 C ATOM 914 O GLN A 55 0.203 -12.875 1.826 1.00 0.00 O ATOM 915 CB GLN A 55 -1.715 -10.746 1.245 1.00 0.00 C ATOM 916 CG GLN A 55 -3.115 -10.600 0.647 1.00 0.00 C ATOM 917 CD GLN A 55 -3.472 -11.868 -0.131 1.00 0.00 C ATOM 918 OE1 GLN A 55 -3.946 -12.832 0.438 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.264 -11.909 -1.419 1.00 0.00 N ATOM 0 H GLN A 55 -1.907 -9.804 3.488 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.478 -12.491 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.329 -9.769 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.030 -11.149 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.844 -10.429 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.152 -9.733 -0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.866 -11.101 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.499 -12.749 -1.947 1.00 0.00 H new ATOM 928 N GLY A 56 0.081 -12.235 3.924 1.00 0.00 N ATOM 929 CA GLY A 56 1.406 -12.846 4.237 1.00 0.00 C ATOM 930 C GLY A 56 2.495 -12.172 3.400 1.00 0.00 C ATOM 931 O GLY A 56 3.280 -12.825 2.743 1.00 0.00 O ATOM 0 H GLY A 56 -0.382 -11.776 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.628 -12.733 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.383 -13.915 4.028 1.00 0.00 H new ATOM 935 N PHE A 57 2.555 -10.868 3.423 1.00 0.00 N ATOM 936 CA PHE A 57 3.599 -10.155 2.632 1.00 0.00 C ATOM 937 C PHE A 57 4.158 -8.976 3.434 1.00 0.00 C ATOM 938 O PHE A 57 4.896 -8.157 2.922 1.00 0.00 O ATOM 939 CB PHE A 57 2.878 -9.656 1.380 1.00 0.00 C ATOM 940 CG PHE A 57 2.530 -10.828 0.496 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.496 -11.801 0.211 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.243 -10.942 -0.040 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.172 -12.888 -0.612 1.00 0.00 C ATOM 944 CE2 PHE A 57 0.919 -12.028 -0.862 1.00 0.00 C ATOM 945 CZ PHE A 57 1.884 -13.001 -1.148 1.00 0.00 C ATOM 0 H PHE A 57 1.927 -10.266 3.955 1.00 0.00 H new ATOM 0 HA PHE A 57 4.442 -10.801 2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.973 -9.117 1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.512 -8.954 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.490 -11.714 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.498 -10.191 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.916 -13.639 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.075 -12.115 -1.275 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.635 -13.839 -1.782 1.00 0.00 H new ATOM 955 N ILE A 58 3.812 -8.883 4.688 1.00 0.00 N ATOM 956 CA ILE A 58 4.323 -7.757 5.522 1.00 0.00 C ATOM 957 C ILE A 58 4.662 -8.251 6.928 1.00 0.00 C ATOM 958 O ILE A 58 4.564 -7.522 7.895 1.00 0.00 O ATOM 959 CB ILE A 58 3.183 -6.740 5.562 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.554 -6.623 4.171 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.737 -5.380 5.977 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.557 -5.973 3.215 1.00 0.00 C ATOM 0 H ILE A 58 3.198 -9.538 5.172 1.00 0.00 H new ATOM 0 HA ILE A 58 5.236 -7.322 5.114 1.00 0.00 H new ATOM 0 HB ILE A 58 2.429 -7.066 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.271 -7.609 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.643 -6.027 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.927 -4.651 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.191 -5.458 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.489 -5.058 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.112 -5.888 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.818 -4.980 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.456 -6.587 3.158 1.00 0.00 H new