USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HD1:sc= 0.0412 X(o=0.096,f=-0.0075) USER MOD Set 1.2: A 33 TYR OH : rot -10:sc= 0.0548 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 149:sc= -0.0455 (180deg=-0.825) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.0809 (180deg=-1.33) USER MOD Single : A 44 ASN : amide:sc=-0.00952 K(o=-0.0095,f=-3.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 49 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0569 (180deg=-0.366) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 3.685 3.708 -0.241 1.00 0.00 N ATOM 182 CA ARG A 15 3.339 2.343 0.136 1.00 0.00 C ATOM 183 C ARG A 15 3.784 2.044 1.565 1.00 0.00 C ATOM 184 O ARG A 15 4.548 2.805 2.160 1.00 0.00 O ATOM 185 CB ARG A 15 3.984 1.346 -0.829 1.00 0.00 C ATOM 186 CG ARG A 15 3.341 1.329 -2.206 1.00 0.00 C ATOM 187 CD ARG A 15 4.031 2.296 -3.155 1.00 0.00 C ATOM 188 NE ARG A 15 5.304 1.771 -3.642 1.00 0.00 N ATOM 189 CZ ARG A 15 5.402 0.790 -4.532 1.00 0.00 C ATOM 190 NH1 ARG A 15 4.308 0.230 -5.030 1.00 0.00 N ATOM 191 NH2 ARG A 15 6.596 0.366 -4.926 1.00 0.00 N ATOM 0 HA ARG A 15 2.255 2.242 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.042 1.587 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.926 0.347 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.385 0.320 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.287 1.592 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.376 2.502 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.201 3.244 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 15 6.165 2.180 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.388 0.552 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.386 -0.523 -5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.440 0.794 -4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.670 -0.387 -5.610 1.00 0.00 H new ATOM 205 N LEU A 16 3.301 0.933 2.109 1.00 0.00 N ATOM 206 CA LEU A 16 3.648 0.534 3.468 1.00 0.00 C ATOM 207 C LEU A 16 4.354 -0.819 3.475 1.00 0.00 C ATOM 208 O LEU A 16 3.835 -1.802 2.949 1.00 0.00 O ATOM 209 CB LEU A 16 2.392 0.470 4.339 1.00 0.00 C ATOM 210 CG LEU A 16 2.509 -0.343 5.629 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.642 0.189 6.493 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.195 -0.319 6.396 1.00 0.00 C ATOM 0 H LEU A 16 2.668 0.292 1.630 1.00 0.00 H new ATOM 0 HA LEU A 16 4.328 1.281 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.103 1.488 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.581 0.052 3.742 1.00 0.00 H new ATOM 0 HG LEU A 16 2.734 -1.377 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.711 -0.401 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.581 0.119 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.447 1.231 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.297 -0.903 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.940 0.710 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.405 -0.747 5.779 1.00 0.00 H new ATOM 224 N GLU A 17 5.539 -0.859 4.076 1.00 0.00 N ATOM 225 CA GLU A 17 6.315 -2.091 4.152 1.00 0.00 C ATOM 226 C GLU A 17 5.703 -3.058 5.163 1.00 0.00 C ATOM 227 O GLU A 17 5.458 -2.697 6.314 1.00 0.00 O ATOM 228 CB GLU A 17 7.764 -1.785 4.536 1.00 0.00 C ATOM 229 CG GLU A 17 8.746 -2.865 4.116 1.00 0.00 C ATOM 230 CD GLU A 17 10.101 -2.712 4.779 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.160 -2.747 6.026 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.103 -2.556 4.050 1.00 0.00 O ATOM 0 H GLU A 17 5.982 -0.053 4.517 1.00 0.00 H new ATOM 0 HA GLU A 17 6.299 -2.561 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.060 -0.840 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.824 -1.651 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.333 -3.843 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.870 -2.837 3.033 1.00 0.00 H new ATOM 239 N HIS A 18 5.458 -4.288 4.722 1.00 0.00 N ATOM 240 CA HIS A 18 4.874 -5.307 5.587 1.00 0.00 C ATOM 241 C HIS A 18 5.759 -6.549 5.636 1.00 0.00 C ATOM 242 O HIS A 18 5.913 -7.252 4.637 1.00 0.00 O ATOM 243 CB HIS A 18 3.475 -5.682 5.097 1.00 0.00 C ATOM 244 CG HIS A 18 2.799 -6.713 5.948 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.999 -6.393 7.025 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.805 -8.064 5.874 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.544 -7.503 7.578 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.018 -8.531 6.898 1.00 0.00 N ATOM 0 H HIS A 18 5.655 -4.603 3.772 1.00 0.00 H new ATOM 0 HA HIS A 18 4.799 -4.895 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.857 -4.785 5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.545 -6.055 4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.331 -8.663 5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.895 -7.560 8.439 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.830 -9.513 7.101 1.00 0.00 H new ATOM 257 N GLN A 19 6.338 -6.812 6.803 1.00 0.00 N ATOM 258 CA GLN A 19 7.208 -7.969 6.980 1.00 0.00 C ATOM 259 C GLN A 19 6.488 -9.256 6.593 1.00 0.00 C ATOM 260 O GLN A 19 5.886 -9.921 7.437 1.00 0.00 O ATOM 261 CB GLN A 19 7.688 -8.055 8.430 1.00 0.00 C ATOM 262 CG GLN A 19 9.011 -7.348 8.676 1.00 0.00 C ATOM 263 CD GLN A 19 8.833 -5.895 9.070 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.314 -5.591 10.145 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.262 -4.988 8.201 1.00 0.00 N ATOM 0 H GLN A 19 6.221 -6.240 7.639 1.00 0.00 H new ATOM 0 HA GLN A 19 8.071 -7.847 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.928 -7.623 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.789 -9.104 8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.556 -7.869 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.621 -7.404 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.686 -5.284 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.168 -3.995 8.412 1.00 0.00 H new ATOM 274 N LEU A 20 6.554 -9.602 5.312 1.00 0.00 N ATOM 275 CA LEU A 20 5.908 -10.811 4.812 1.00 0.00 C ATOM 276 C LEU A 20 6.432 -12.047 5.536 1.00 0.00 C ATOM 277 O LEU A 20 7.613 -12.379 5.441 1.00 0.00 O ATOM 278 CB LEU A 20 6.139 -10.951 3.306 1.00 0.00 C ATOM 279 CG LEU A 20 5.059 -11.705 2.529 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.920 -10.770 2.155 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.651 -12.351 1.285 1.00 0.00 C ATOM 0 H LEU A 20 7.048 -9.063 4.601 1.00 0.00 H new ATOM 0 HA LEU A 20 4.838 -10.727 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.236 -9.953 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.091 -11.458 3.150 1.00 0.00 H new ATOM 0 HG LEU A 20 4.660 -12.492 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.161 -11.324 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.479 -10.354 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.303 -9.961 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.869 -12.883 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.077 -11.580 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.433 -13.053 1.576 1.00 0.00 H new ATOM 293 N GLU A 21 5.544 -12.726 6.256 1.00 0.00 N ATOM 294 CA GLU A 21 5.917 -13.926 6.994 1.00 0.00 C ATOM 295 C GLU A 21 5.590 -15.182 6.191 1.00 0.00 C ATOM 296 O GLU A 21 4.712 -15.187 5.328 1.00 0.00 O ATOM 297 CB GLU A 21 5.196 -13.968 8.343 1.00 0.00 C ATOM 298 CG GLU A 21 3.852 -14.675 8.293 1.00 0.00 C ATOM 299 CD GLU A 21 3.181 -14.750 9.651 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.739 -15.411 10.552 1.00 0.00 O ATOM 301 OE2 GLU A 21 2.099 -14.148 9.813 1.00 0.00 O ATOM 0 H GLU A 21 4.562 -12.465 6.343 1.00 0.00 H new ATOM 0 HA GLU A 21 6.993 -13.895 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.834 -14.469 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.048 -12.948 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.196 -14.152 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.991 -15.684 7.904 1.00 0.00 H new ATOM 308 N PRO A 22 6.314 -16.274 6.481 1.00 0.00 N ATOM 309 CA PRO A 22 6.119 -17.557 5.798 1.00 0.00 C ATOM 310 C PRO A 22 4.795 -18.216 6.168 1.00 0.00 C ATOM 311 O PRO A 22 4.752 -19.121 7.000 1.00 0.00 O ATOM 312 CB PRO A 22 7.295 -18.403 6.292 1.00 0.00 C ATOM 313 CG PRO A 22 7.658 -17.814 7.611 1.00 0.00 C ATOM 314 CD PRO A 22 7.376 -16.341 7.498 1.00 0.00 C ATOM 0 HA PRO A 22 6.085 -17.441 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.014 -19.452 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.133 -18.361 5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.073 -18.263 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.708 -17.994 7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.049 -15.920 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.262 -15.785 7.191 1.00 0.00 H new ATOM 322 N GLY A 23 3.715 -17.755 5.544 1.00 0.00 N ATOM 323 CA GLY A 23 2.404 -18.312 5.821 1.00 0.00 C ATOM 324 C GLY A 23 1.280 -17.377 5.421 1.00 0.00 C ATOM 325 O GLY A 23 0.168 -17.819 5.133 1.00 0.00 O ATOM 0 H GLY A 23 3.725 -17.006 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.294 -19.256 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.325 -18.536 6.885 1.00 0.00 H new ATOM 329 N ASP A 24 1.569 -16.080 5.404 1.00 0.00 N ATOM 330 CA ASP A 24 0.574 -15.080 5.037 1.00 0.00 C ATOM 331 C ASP A 24 0.000 -15.366 3.653 1.00 0.00 C ATOM 332 O ASP A 24 0.582 -16.119 2.871 1.00 0.00 O ATOM 333 CB ASP A 24 1.192 -13.681 5.067 1.00 0.00 C ATOM 334 CG ASP A 24 1.108 -13.040 6.439 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.715 -13.739 7.397 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.436 -11.841 6.554 1.00 0.00 O ATOM 0 H ASP A 24 2.484 -15.697 5.640 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.237 -15.127 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.236 -13.742 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.683 -13.047 4.341 1.00 0.00 H new ATOM 341 N THR A 25 -1.146 -14.762 3.356 1.00 0.00 N ATOM 342 CA THR A 25 -1.800 -14.954 2.068 1.00 0.00 C ATOM 343 C THR A 25 -2.238 -13.621 1.470 1.00 0.00 C ATOM 344 O THR A 25 -2.722 -12.739 2.181 1.00 0.00 O ATOM 345 CB THR A 25 -3.027 -15.876 2.193 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.914 -15.378 3.201 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.604 -17.296 2.538 1.00 0.00 C ATOM 0 H THR A 25 -1.641 -14.135 3.991 1.00 0.00 H new ATOM 0 HA THR A 25 -1.069 -15.422 1.409 1.00 0.00 H new ATOM 0 HB THR A 25 -3.542 -15.891 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.692 -15.969 3.273 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.488 -17.929 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.953 -17.683 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.068 -17.295 3.487 1.00 0.00 H new ATOM 355 N LEU A 26 -2.068 -13.482 0.160 1.00 0.00 N ATOM 356 CA LEU A 26 -2.447 -12.256 -0.534 1.00 0.00 C ATOM 357 C LEU A 26 -3.827 -11.783 -0.089 1.00 0.00 C ATOM 358 O LEU A 26 -4.018 -10.611 0.234 1.00 0.00 O ATOM 359 CB LEU A 26 -2.436 -12.479 -2.047 1.00 0.00 C ATOM 360 CG LEU A 26 -1.057 -12.623 -2.694 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.158 -13.399 -3.997 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.435 -11.254 -2.932 1.00 0.00 C ATOM 0 H LEU A 26 -1.670 -14.202 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.719 -11.485 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.014 -13.377 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.952 -11.644 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.413 -13.179 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.168 -13.492 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.561 -14.392 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.818 -12.870 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.545 -11.375 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.077 -10.672 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.327 -10.733 -1.981 1.00 0.00 H new ATOM 374 N ALA A 27 -4.786 -12.703 -0.072 1.00 0.00 N ATOM 375 CA ALA A 27 -6.147 -12.381 0.338 1.00 0.00 C ATOM 376 C ALA A 27 -6.164 -11.706 1.705 1.00 0.00 C ATOM 377 O ALA A 27 -6.754 -10.640 1.874 1.00 0.00 O ATOM 378 CB ALA A 27 -7.004 -13.638 0.357 1.00 0.00 C ATOM 0 H ALA A 27 -4.645 -13.678 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.563 -11.682 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.018 -13.382 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.028 -14.077 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.581 -14.356 1.060 1.00 0.00 H new ATOM 384 N GLY A 28 -5.512 -12.335 2.679 1.00 0.00 N ATOM 385 CA GLY A 28 -5.466 -11.780 4.019 1.00 0.00 C ATOM 386 C GLY A 28 -5.036 -10.326 4.030 1.00 0.00 C ATOM 387 O GLY A 28 -5.707 -9.478 4.618 1.00 0.00 O ATOM 0 H GLY A 28 -5.015 -13.218 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.450 -11.868 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.776 -12.364 4.628 1.00 0.00 H new ATOM 391 N LEU A 29 -3.915 -10.038 3.380 1.00 0.00 N ATOM 392 CA LEU A 29 -3.395 -8.676 3.318 1.00 0.00 C ATOM 393 C LEU A 29 -4.420 -7.729 2.701 1.00 0.00 C ATOM 394 O LEU A 29 -4.798 -6.727 3.307 1.00 0.00 O ATOM 395 CB LEU A 29 -2.098 -8.640 2.508 1.00 0.00 C ATOM 396 CG LEU A 29 -0.941 -9.477 3.055 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.254 -9.414 2.118 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.554 -9.005 4.449 1.00 0.00 C ATOM 0 H LEU A 29 -3.348 -10.729 2.888 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.189 -8.346 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.317 -8.977 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.768 -7.604 2.435 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.269 -10.514 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.067 -10.016 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.030 -9.801 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.583 -8.380 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.271 -9.612 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.246 -7.960 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.409 -9.104 5.117 1.00 0.00 H new ATOM 410 N ALA A 30 -4.867 -8.056 1.493 1.00 0.00 N ATOM 411 CA ALA A 30 -5.851 -7.238 0.795 1.00 0.00 C ATOM 412 C ALA A 30 -6.892 -6.687 1.764 1.00 0.00 C ATOM 413 O ALA A 30 -6.994 -5.475 1.958 1.00 0.00 O ATOM 414 CB ALA A 30 -6.525 -8.045 -0.304 1.00 0.00 C ATOM 0 H ALA A 30 -4.563 -8.882 0.977 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.330 -6.394 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.257 -7.421 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.775 -8.385 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.027 -8.908 0.134 1.00 0.00 H new ATOM 420 N LEU A 31 -7.664 -7.583 2.368 1.00 0.00 N ATOM 421 CA LEU A 31 -8.699 -7.186 3.316 1.00 0.00 C ATOM 422 C LEU A 31 -8.088 -6.496 4.532 1.00 0.00 C ATOM 423 O LEU A 31 -8.555 -5.440 4.960 1.00 0.00 O ATOM 424 CB LEU A 31 -9.506 -8.407 3.761 1.00 0.00 C ATOM 425 CG LEU A 31 -10.078 -9.278 2.642 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.316 -10.696 3.137 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.368 -8.675 2.104 1.00 0.00 C ATOM 0 H LEU A 31 -7.593 -8.589 2.218 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.363 -6.481 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.869 -9.030 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.331 -8.064 4.385 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.352 -9.316 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.723 -11.301 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.373 -11.127 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.023 -10.678 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.761 -9.308 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.100 -8.606 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.167 -7.679 1.710 1.00 0.00 H new ATOM 439 N LYS A 32 -7.039 -7.098 5.083 1.00 0.00 N ATOM 440 CA LYS A 32 -6.361 -6.541 6.247 1.00 0.00 C ATOM 441 C LYS A 32 -6.287 -5.020 6.157 1.00 0.00 C ATOM 442 O LYS A 32 -6.421 -4.322 7.162 1.00 0.00 O ATOM 443 CB LYS A 32 -4.952 -7.125 6.369 1.00 0.00 C ATOM 444 CG LYS A 32 -4.255 -6.765 7.670 1.00 0.00 C ATOM 445 CD LYS A 32 -2.751 -6.951 7.567 1.00 0.00 C ATOM 446 CE LYS A 32 -2.366 -8.421 7.612 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.384 -8.957 9.002 1.00 0.00 N ATOM 0 H LYS A 32 -6.640 -7.972 4.741 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.936 -6.807 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.009 -8.210 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.348 -6.772 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.478 -5.730 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.645 -7.386 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.392 -6.508 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.261 -6.421 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.054 -8.996 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.371 -8.549 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.116 -9.962 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.709 -8.425 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.340 -8.858 9.400 1.00 0.00 H new ATOM 461 N TYR A 33 -6.073 -4.513 4.948 1.00 0.00 N ATOM 462 CA TYR A 33 -5.980 -3.075 4.727 1.00 0.00 C ATOM 463 C TYR A 33 -7.268 -2.534 4.112 1.00 0.00 C ATOM 464 O TYR A 33 -7.962 -1.717 4.715 1.00 0.00 O ATOM 465 CB TYR A 33 -4.793 -2.753 3.818 1.00 0.00 C ATOM 466 CG TYR A 33 -3.450 -3.027 4.457 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.903 -4.304 4.451 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.728 -2.007 5.065 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.677 -4.558 5.034 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.500 -2.252 5.649 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.979 -3.529 5.632 1.00 0.00 C ATOM 472 OH TYR A 33 0.243 -3.779 6.212 1.00 0.00 O ATOM 0 H TYR A 33 -5.961 -5.077 4.106 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.830 -2.594 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.877 -3.339 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.841 -1.703 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.446 -5.112 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.134 -1.006 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.267 -5.557 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.951 -1.448 6.116 1.00 0.00 H new ATOM 0 HH TYR A 33 0.392 -4.747 6.257 1.00 0.00 H new ATOM 482 N GLY A 34 -7.580 -2.997 2.906 1.00 0.00 N ATOM 483 CA GLY A 34 -8.783 -2.551 2.228 1.00 0.00 C ATOM 484 C GLY A 34 -8.610 -2.486 0.723 1.00 0.00 C ATOM 485 O GLY A 34 -9.183 -1.621 0.061 1.00 0.00 O ATOM 0 H GLY A 34 -7.021 -3.673 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.603 -3.228 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.063 -1.566 2.601 1.00 0.00 H new ATOM 489 N VAL A 35 -7.817 -3.405 0.180 1.00 0.00 N ATOM 490 CA VAL A 35 -7.570 -3.449 -1.256 1.00 0.00 C ATOM 491 C VAL A 35 -7.718 -4.867 -1.796 1.00 0.00 C ATOM 492 O VAL A 35 -7.896 -5.818 -1.034 1.00 0.00 O ATOM 493 CB VAL A 35 -6.163 -2.924 -1.600 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.991 -1.495 -1.108 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.097 -3.833 -1.008 1.00 0.00 C ATOM 0 H VAL A 35 -7.335 -4.129 0.713 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.314 -2.805 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.048 -2.925 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.991 -1.141 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.733 -0.854 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.125 -1.464 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.109 -3.448 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.208 -3.866 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.209 -4.838 -1.415 1.00 0.00 H new ATOM 505 N THR A 36 -7.641 -5.003 -3.116 1.00 0.00 N ATOM 506 CA THR A 36 -7.767 -6.304 -3.759 1.00 0.00 C ATOM 507 C THR A 36 -6.399 -6.888 -4.092 1.00 0.00 C ATOM 508 O THR A 36 -5.520 -6.186 -4.593 1.00 0.00 O ATOM 509 CB THR A 36 -8.603 -6.215 -5.050 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.756 -7.517 -5.626 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.944 -5.284 -6.057 1.00 0.00 C ATOM 0 H THR A 36 -7.492 -4.227 -3.761 1.00 0.00 H new ATOM 0 HA THR A 36 -8.275 -6.958 -3.051 1.00 0.00 H new ATOM 0 HB THR A 36 -9.584 -5.814 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.290 -7.452 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.552 -5.237 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.855 -4.287 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.952 -5.661 -6.306 1.00 0.00 H new ATOM 519 N MET A 37 -6.225 -8.175 -3.812 1.00 0.00 N ATOM 520 CA MET A 37 -4.963 -8.853 -4.084 1.00 0.00 C ATOM 521 C MET A 37 -4.389 -8.414 -5.428 1.00 0.00 C ATOM 522 O MET A 37 -3.288 -7.870 -5.495 1.00 0.00 O ATOM 523 CB MET A 37 -5.161 -10.370 -4.071 1.00 0.00 C ATOM 524 CG MET A 37 -5.673 -10.904 -2.744 1.00 0.00 C ATOM 525 SD MET A 37 -6.673 -12.393 -2.934 1.00 0.00 S ATOM 526 CE MET A 37 -5.651 -13.346 -4.055 1.00 0.00 C ATOM 0 H MET A 37 -6.942 -8.770 -3.397 1.00 0.00 H new ATOM 0 HA MET A 37 -4.256 -8.580 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.863 -10.643 -4.859 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.213 -10.854 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.826 -11.120 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.266 -10.133 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.789 -14.409 -3.858 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.937 -13.127 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.604 -13.082 -3.906 1.00 0.00 H new ATOM 536 N GLU A 38 -5.144 -8.656 -6.496 1.00 0.00 N ATOM 537 CA GLU A 38 -4.709 -8.286 -7.837 1.00 0.00 C ATOM 538 C GLU A 38 -3.946 -6.964 -7.817 1.00 0.00 C ATOM 539 O GLU A 38 -2.801 -6.891 -8.261 1.00 0.00 O ATOM 540 CB GLU A 38 -5.912 -8.180 -8.777 1.00 0.00 C ATOM 541 CG GLU A 38 -5.530 -7.994 -10.236 1.00 0.00 C ATOM 542 CD GLU A 38 -6.653 -8.366 -11.184 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.870 -9.576 -11.401 1.00 0.00 O ATOM 544 OE2 GLU A 38 -7.315 -7.446 -11.710 1.00 0.00 O ATOM 0 H GLU A 38 -6.059 -9.106 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.040 -9.066 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.518 -9.081 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.535 -7.342 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.247 -6.955 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.654 -8.603 -10.459 1.00 0.00 H new ATOM 551 N GLN A 39 -4.592 -5.924 -7.300 1.00 0.00 N ATOM 552 CA GLN A 39 -3.975 -4.605 -7.224 1.00 0.00 C ATOM 553 C GLN A 39 -2.564 -4.695 -6.651 1.00 0.00 C ATOM 554 O GLN A 39 -1.584 -4.434 -7.348 1.00 0.00 O ATOM 555 CB GLN A 39 -4.828 -3.669 -6.364 1.00 0.00 C ATOM 556 CG GLN A 39 -6.023 -3.087 -7.101 1.00 0.00 C ATOM 557 CD GLN A 39 -5.682 -1.817 -7.855 1.00 0.00 C ATOM 558 OE1 GLN A 39 -4.521 -1.566 -8.179 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.695 -1.007 -8.139 1.00 0.00 N ATOM 0 H GLN A 39 -5.541 -5.969 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.912 -4.203 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.182 -4.214 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.203 -2.853 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.409 -3.828 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.819 -2.878 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.642 -1.254 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.526 -0.137 -8.645 1.00 0.00 H new ATOM 568 N ILE A 40 -2.470 -5.067 -5.379 1.00 0.00 N ATOM 569 CA ILE A 40 -1.179 -5.193 -4.715 1.00 0.00 C ATOM 570 C ILE A 40 -0.142 -5.817 -5.642 1.00 0.00 C ATOM 571 O ILE A 40 1.042 -5.485 -5.581 1.00 0.00 O ATOM 572 CB ILE A 40 -1.285 -6.043 -3.435 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.276 -5.410 -2.456 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.083 -6.198 -2.787 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.550 -6.262 -1.237 1.00 0.00 C ATOM 0 H ILE A 40 -3.272 -5.286 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.863 -4.185 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.652 -7.033 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.889 -4.443 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.216 -5.220 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.009 -6.801 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.762 -6.689 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.477 -5.215 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.261 -5.751 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.967 -7.220 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.620 -6.431 -0.695 1.00 0.00 H new ATOM 587 N LYS A 41 -0.594 -6.724 -6.501 1.00 0.00 N ATOM 588 CA LYS A 41 0.293 -7.394 -7.445 1.00 0.00 C ATOM 589 C LYS A 41 0.600 -6.493 -8.637 1.00 0.00 C ATOM 590 O LYS A 41 1.714 -6.499 -9.161 1.00 0.00 O ATOM 591 CB LYS A 41 -0.338 -8.701 -7.929 1.00 0.00 C ATOM 592 CG LYS A 41 -0.574 -9.710 -6.819 1.00 0.00 C ATOM 593 CD LYS A 41 -1.658 -10.708 -7.193 1.00 0.00 C ATOM 594 CE LYS A 41 -1.098 -11.854 -8.022 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.851 -11.448 -9.434 1.00 0.00 N ATOM 0 H LYS A 41 -1.570 -7.012 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 41 1.228 -7.617 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.288 -8.478 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.308 -9.149 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.353 -10.242 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.859 -9.188 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.118 -11.103 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.443 -10.201 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.167 -12.203 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.795 -12.692 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.018 -12.259 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.495 -10.673 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.133 -11.128 -9.536 1.00 0.00 H new ATOM 609 N ARG A 42 -0.395 -5.719 -9.060 1.00 0.00 N ATOM 610 CA ARG A 42 -0.231 -4.813 -10.190 1.00 0.00 C ATOM 611 C ARG A 42 0.636 -3.617 -9.806 1.00 0.00 C ATOM 612 O ARG A 42 1.383 -3.089 -10.630 1.00 0.00 O ATOM 613 CB ARG A 42 -1.595 -4.329 -10.685 1.00 0.00 C ATOM 614 CG ARG A 42 -2.543 -5.458 -11.055 1.00 0.00 C ATOM 615 CD ARG A 42 -2.396 -5.854 -12.516 1.00 0.00 C ATOM 616 NE ARG A 42 -2.770 -7.247 -12.746 1.00 0.00 N ATOM 617 CZ ARG A 42 -1.940 -8.269 -12.569 1.00 0.00 C ATOM 618 NH1 ARG A 42 -0.697 -8.055 -12.162 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.354 -9.508 -12.799 1.00 0.00 N ATOM 0 H ARG A 42 -1.323 -5.702 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 42 0.266 -5.359 -10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.057 -3.717 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.450 -3.688 -11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.346 -6.323 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.571 -5.149 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.019 -5.205 -13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.364 -5.699 -12.832 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.720 -7.446 -13.060 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.375 -7.104 -11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.062 -8.842 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.310 -9.676 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.716 -10.292 -12.663 1.00 0.00 H new ATOM 633 N ALA A 43 0.531 -3.196 -8.550 1.00 0.00 N ATOM 634 CA ALA A 43 1.306 -2.064 -8.057 1.00 0.00 C ATOM 635 C ALA A 43 2.782 -2.426 -7.922 1.00 0.00 C ATOM 636 O ALA A 43 3.657 -1.582 -8.112 1.00 0.00 O ATOM 637 CB ALA A 43 0.754 -1.587 -6.722 1.00 0.00 C ATOM 0 H ALA A 43 -0.083 -3.622 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 43 1.222 -1.255 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.343 -0.741 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.284 -1.280 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.808 -2.398 -5.995 1.00 0.00 H new ATOM 643 N ASN A 44 3.050 -3.685 -7.593 1.00 0.00 N ATOM 644 CA ASN A 44 4.420 -4.158 -7.432 1.00 0.00 C ATOM 645 C ASN A 44 4.724 -5.289 -8.410 1.00 0.00 C ATOM 646 O ASN A 44 5.691 -6.030 -8.237 1.00 0.00 O ATOM 647 CB ASN A 44 4.652 -4.634 -5.996 1.00 0.00 C ATOM 648 CG ASN A 44 4.059 -3.687 -4.971 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.055 -2.471 -5.162 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.555 -4.242 -3.874 1.00 0.00 N ATOM 0 H ASN A 44 2.337 -4.396 -7.433 1.00 0.00 H new ATOM 0 HA ASN A 44 5.092 -3.327 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.214 -5.624 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.723 -4.734 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.143 -3.655 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.580 -5.255 -3.757 1.00 0.00 H new ATOM 657 N ARG A 45 3.891 -5.415 -9.438 1.00 0.00 N ATOM 658 CA ARG A 45 4.070 -6.455 -10.443 1.00 0.00 C ATOM 659 C ARG A 45 4.651 -7.720 -9.819 1.00 0.00 C ATOM 660 O ARG A 45 5.635 -8.273 -10.313 1.00 0.00 O ATOM 661 CB ARG A 45 4.985 -5.959 -11.564 1.00 0.00 C ATOM 662 CG ARG A 45 4.344 -4.907 -12.454 1.00 0.00 C ATOM 663 CD ARG A 45 4.516 -3.510 -11.877 1.00 0.00 C ATOM 664 NE ARG A 45 4.488 -2.483 -12.914 1.00 0.00 N ATOM 665 CZ ARG A 45 3.368 -1.991 -13.432 1.00 0.00 C ATOM 666 NH1 ARG A 45 2.190 -2.429 -13.010 1.00 0.00 N ATOM 667 NH2 ARG A 45 3.425 -1.057 -14.373 1.00 0.00 N ATOM 0 H ARG A 45 3.086 -4.810 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 45 3.092 -6.693 -10.861 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.893 -5.546 -11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.286 -6.808 -12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.790 -4.949 -13.448 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.283 -5.125 -12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.724 -3.316 -11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.461 -3.455 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 45 5.378 -2.123 -13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.142 -3.146 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.332 -2.049 -13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.329 -0.716 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.564 -0.680 -14.770 1.00 0.00 H new ATOM 681 N LEU A 46 4.038 -8.172 -8.731 1.00 0.00 N ATOM 682 CA LEU A 46 4.495 -9.372 -8.038 1.00 0.00 C ATOM 683 C LEU A 46 4.222 -10.620 -8.872 1.00 0.00 C ATOM 684 O LEU A 46 4.767 -11.691 -8.603 1.00 0.00 O ATOM 685 CB LEU A 46 3.805 -9.494 -6.678 1.00 0.00 C ATOM 686 CG LEU A 46 4.491 -8.784 -5.511 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.619 -8.836 -4.267 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.853 -9.404 -5.236 1.00 0.00 C ATOM 0 H LEU A 46 3.223 -7.726 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 46 5.571 -9.286 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.792 -9.102 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.716 -10.552 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 46 4.638 -7.739 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.124 -8.326 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.667 -8.345 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.439 -9.875 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.327 -8.886 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.729 -10.458 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.480 -9.313 -6.123 1.00 0.00 H new ATOM 700 N TYR A 47 3.379 -10.473 -9.888 1.00 0.00 N ATOM 701 CA TYR A 47 3.034 -11.588 -10.762 1.00 0.00 C ATOM 702 C TYR A 47 4.290 -12.254 -11.317 1.00 0.00 C ATOM 703 O TYR A 47 4.954 -11.714 -12.202 1.00 0.00 O ATOM 704 CB TYR A 47 2.148 -11.107 -11.912 1.00 0.00 C ATOM 705 CG TYR A 47 2.879 -10.255 -12.924 1.00 0.00 C ATOM 706 CD1 TYR A 47 3.018 -8.885 -12.738 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.431 -10.819 -14.068 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.684 -8.102 -13.660 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.101 -10.044 -14.995 1.00 0.00 C ATOM 710 CZ TYR A 47 4.225 -8.686 -14.787 1.00 0.00 C ATOM 711 OH TYR A 47 4.890 -7.911 -15.709 1.00 0.00 O ATOM 0 H TYR A 47 2.922 -9.593 -10.127 1.00 0.00 H new ATOM 0 HA TYR A 47 2.485 -12.322 -10.172 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.723 -11.973 -12.419 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.315 -10.536 -11.503 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.598 -8.424 -11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.335 -11.882 -14.235 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.781 -7.038 -13.500 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.525 -10.499 -15.878 1.00 0.00 H new ATOM 0 HH TYR A 47 5.210 -8.477 -16.442 1.00 0.00 H new ATOM 721 N THR A 48 4.609 -13.432 -10.791 1.00 0.00 N ATOM 722 CA THR A 48 5.784 -14.173 -11.231 1.00 0.00 C ATOM 723 C THR A 48 5.457 -15.646 -11.447 1.00 0.00 C ATOM 724 O THR A 48 4.462 -16.152 -10.929 1.00 0.00 O ATOM 725 CB THR A 48 6.935 -14.058 -10.213 1.00 0.00 C ATOM 726 OG1 THR A 48 6.503 -14.528 -8.931 1.00 0.00 O ATOM 727 CG2 THR A 48 7.413 -12.619 -10.097 1.00 0.00 C ATOM 0 H THR A 48 4.069 -13.894 -10.059 1.00 0.00 H new ATOM 0 HA THR A 48 6.099 -13.732 -12.176 1.00 0.00 H new ATOM 0 HB THR A 48 7.764 -14.672 -10.564 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.545 -15.507 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.226 -12.563 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.768 -12.274 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.588 -11.987 -9.767 1.00 0.00 H new ATOM 735 N ASN A 49 6.300 -16.329 -12.215 1.00 0.00 N ATOM 736 CA ASN A 49 6.100 -17.745 -12.499 1.00 0.00 C ATOM 737 C ASN A 49 5.943 -18.542 -11.207 1.00 0.00 C ATOM 738 O ASN A 49 5.134 -19.467 -11.131 1.00 0.00 O ATOM 739 CB ASN A 49 7.274 -18.295 -13.311 1.00 0.00 C ATOM 740 CG ASN A 49 7.127 -18.025 -14.796 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.024 -18.076 -15.341 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.241 -17.736 -15.458 1.00 0.00 N ATOM 0 H ASN A 49 7.128 -15.924 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 49 5.185 -17.847 -13.082 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.201 -17.847 -12.953 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.355 -19.369 -13.146 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.204 -17.545 -16.459 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.134 -17.705 -14.965 1.00 0.00 H new ATOM 749 N ASP A 50 6.720 -18.175 -10.194 1.00 0.00 N ATOM 750 CA ASP A 50 6.667 -18.855 -8.905 1.00 0.00 C ATOM 751 C ASP A 50 5.917 -18.012 -7.877 1.00 0.00 C ATOM 752 O ASP A 50 5.827 -16.791 -8.009 1.00 0.00 O ATOM 753 CB ASP A 50 8.080 -19.155 -8.404 1.00 0.00 C ATOM 754 CG ASP A 50 8.672 -20.393 -9.048 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.336 -20.671 -10.218 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.471 -21.085 -8.382 1.00 0.00 O ATOM 0 H ASP A 50 7.394 -17.411 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 50 6.131 -19.795 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.724 -18.300 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.058 -19.287 -7.322 1.00 0.00 H new ATOM 761 N SER A 51 5.381 -18.672 -6.856 1.00 0.00 N ATOM 762 CA SER A 51 4.635 -17.984 -5.808 1.00 0.00 C ATOM 763 C SER A 51 5.292 -16.652 -5.459 1.00 0.00 C ATOM 764 O SER A 51 6.475 -16.442 -5.729 1.00 0.00 O ATOM 765 CB SER A 51 4.541 -18.863 -4.559 1.00 0.00 C ATOM 766 OG SER A 51 3.684 -19.970 -4.778 1.00 0.00 O ATOM 0 H SER A 51 5.449 -19.682 -6.732 1.00 0.00 H new ATOM 0 HA SER A 51 3.630 -17.787 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.535 -19.217 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.170 -18.272 -3.722 1.00 0.00 H new ATOM 0 HG SER A 51 3.642 -20.517 -3.966 1.00 0.00 H new ATOM 772 N ILE A 52 4.517 -15.757 -4.857 1.00 0.00 N ATOM 773 CA ILE A 52 5.023 -14.446 -4.469 1.00 0.00 C ATOM 774 C ILE A 52 5.984 -14.555 -3.290 1.00 0.00 C ATOM 775 O ILE A 52 6.851 -13.701 -3.102 1.00 0.00 O ATOM 776 CB ILE A 52 3.876 -13.488 -4.096 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.017 -14.094 -2.984 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.026 -13.177 -5.319 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.340 -13.061 -2.112 1.00 0.00 C ATOM 0 H ILE A 52 3.536 -15.915 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 52 5.555 -14.044 -5.332 1.00 0.00 H new ATOM 0 HB ILE A 52 4.306 -12.556 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.257 -14.734 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.643 -14.731 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.220 -12.499 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.646 -12.708 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.603 -14.101 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.749 -13.563 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.095 -12.436 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.688 -12.439 -2.725 1.00 0.00 H new ATOM 791 N PHE A 53 5.825 -15.611 -2.500 1.00 0.00 N ATOM 792 CA PHE A 53 6.679 -15.832 -1.339 1.00 0.00 C ATOM 793 C PHE A 53 8.148 -15.630 -1.698 1.00 0.00 C ATOM 794 O PHE A 53 8.986 -15.397 -0.826 1.00 0.00 O ATOM 795 CB PHE A 53 6.467 -17.243 -0.784 1.00 0.00 C ATOM 796 CG PHE A 53 5.213 -17.385 0.029 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.133 -16.848 1.304 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.113 -18.056 -0.481 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.980 -16.977 2.055 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.957 -18.187 0.265 1.00 0.00 C ATOM 801 CZ PHE A 53 2.891 -17.648 1.535 1.00 0.00 C ATOM 0 H PHE A 53 5.113 -16.327 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 53 6.406 -15.104 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.435 -17.950 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.323 -17.514 -0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.982 -16.322 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.160 -18.481 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.931 -16.554 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.106 -18.710 -0.145 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.989 -17.751 2.120 1.00 0.00 H new ATOM 811 N LEU A 54 8.453 -15.722 -2.988 1.00 0.00 N ATOM 812 CA LEU A 54 9.821 -15.550 -3.464 1.00 0.00 C ATOM 813 C LEU A 54 10.493 -14.365 -2.777 1.00 0.00 C ATOM 814 O LEU A 54 11.637 -14.458 -2.332 1.00 0.00 O ATOM 815 CB LEU A 54 9.832 -15.348 -4.981 1.00 0.00 C ATOM 816 CG LEU A 54 9.468 -16.570 -5.824 1.00 0.00 C ATOM 817 CD1 LEU A 54 9.175 -16.160 -7.259 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.586 -17.601 -5.779 1.00 0.00 C ATOM 0 H LEU A 54 7.772 -15.915 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 54 10.381 -16.453 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.138 -14.544 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.826 -15.012 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 54 8.568 -17.021 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.918 -17.043 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.341 -15.459 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.056 -15.684 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.310 -18.464 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.503 -17.161 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.748 -17.918 -4.749 1.00 0.00 H new ATOM 830 N LYS A 55 9.773 -13.252 -2.691 1.00 0.00 N ATOM 831 CA LYS A 55 10.296 -12.049 -2.054 1.00 0.00 C ATOM 832 C LYS A 55 10.319 -12.203 -0.536 1.00 0.00 C ATOM 833 O LYS A 55 10.002 -13.267 -0.005 1.00 0.00 O ATOM 834 CB LYS A 55 9.451 -10.834 -2.441 1.00 0.00 C ATOM 835 CG LYS A 55 9.495 -10.510 -3.925 1.00 0.00 C ATOM 836 CD LYS A 55 9.325 -9.021 -4.176 1.00 0.00 C ATOM 837 CE LYS A 55 9.764 -8.639 -5.581 1.00 0.00 C ATOM 838 NZ LYS A 55 10.121 -7.197 -5.678 1.00 0.00 N ATOM 0 H LYS A 55 8.825 -13.158 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 55 11.318 -11.899 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.417 -11.013 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.797 -9.967 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.444 -10.844 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.708 -11.059 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.281 -8.744 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.908 -8.459 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.622 -9.246 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.963 -8.863 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.415 -6.977 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.295 -6.617 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.903 -6.988 -5.025 1.00 0.00 H new ATOM 852 N LYS A 56 10.694 -11.133 0.156 1.00 0.00 N ATOM 853 CA LYS A 56 10.756 -11.147 1.613 1.00 0.00 C ATOM 854 C LYS A 56 9.762 -10.156 2.209 1.00 0.00 C ATOM 855 O LYS A 56 9.036 -10.478 3.151 1.00 0.00 O ATOM 856 CB LYS A 56 12.172 -10.813 2.087 1.00 0.00 C ATOM 857 CG LYS A 56 12.452 -11.241 3.517 1.00 0.00 C ATOM 858 CD LYS A 56 13.529 -10.381 4.157 1.00 0.00 C ATOM 859 CE LYS A 56 14.916 -10.769 3.667 1.00 0.00 C ATOM 860 NZ LYS A 56 15.304 -12.132 4.121 1.00 0.00 N ATOM 0 H LYS A 56 10.960 -10.244 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 56 10.492 -12.148 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.891 -11.296 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.331 -9.738 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.536 -11.174 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.764 -12.285 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.342 -9.332 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.483 -10.485 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.941 -10.728 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.645 -10.044 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.338 -12.233 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.988 -12.274 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.857 -12.843 3.507 1.00 0.00 H new ATOM 874 N THR A 57 9.733 -8.948 1.655 1.00 0.00 N ATOM 875 CA THR A 57 8.827 -7.910 2.131 1.00 0.00 C ATOM 876 C THR A 57 7.966 -7.368 0.997 1.00 0.00 C ATOM 877 O THR A 57 8.450 -7.151 -0.115 1.00 0.00 O ATOM 878 CB THR A 57 9.600 -6.743 2.776 1.00 0.00 C ATOM 879 OG1 THR A 57 10.905 -6.640 2.195 1.00 0.00 O ATOM 880 CG2 THR A 57 9.723 -6.941 4.279 1.00 0.00 C ATOM 0 H THR A 57 10.327 -8.664 0.876 1.00 0.00 H new ATOM 0 HA THR A 57 8.185 -8.371 2.882 1.00 0.00 H new ATOM 0 HB THR A 57 9.046 -5.823 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.389 -5.895 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.272 -6.105 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.728 -6.990 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.257 -7.870 4.481 1.00 0.00 H new ATOM 888 N LEU A 58 6.687 -7.151 1.283 1.00 0.00 N ATOM 889 CA LEU A 58 5.756 -6.633 0.286 1.00 0.00 C ATOM 890 C LEU A 58 5.128 -5.325 0.755 1.00 0.00 C ATOM 891 O LEU A 58 4.639 -5.228 1.880 1.00 0.00 O ATOM 892 CB LEU A 58 4.662 -7.663 -0.003 1.00 0.00 C ATOM 893 CG LEU A 58 5.101 -8.912 -0.767 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.897 -9.616 -1.375 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.110 -8.550 -1.847 1.00 0.00 C ATOM 0 H LEU A 58 6.271 -7.326 2.198 1.00 0.00 H new ATOM 0 HA LEU A 58 6.314 -6.438 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.226 -7.976 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.871 -7.173 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 58 5.580 -9.594 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.229 -10.503 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.209 -9.910 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.390 -8.940 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.411 -9.452 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.657 -7.848 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.985 -8.091 -1.388 1.00 0.00 H new ATOM 907 N TYR A 59 5.145 -4.322 -0.116 1.00 0.00 N ATOM 908 CA TYR A 59 4.577 -3.019 0.208 1.00 0.00 C ATOM 909 C TYR A 59 3.072 -3.003 -0.040 1.00 0.00 C ATOM 910 O TYR A 59 2.573 -3.682 -0.937 1.00 0.00 O ATOM 911 CB TYR A 59 5.253 -1.924 -0.619 1.00 0.00 C ATOM 912 CG TYR A 59 6.668 -2.263 -1.031 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.470 -3.070 -0.234 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.202 -1.778 -2.218 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.763 -3.382 -0.606 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.493 -2.085 -2.600 1.00 0.00 C ATOM 917 CZ TYR A 59 9.270 -2.887 -1.790 1.00 0.00 C ATOM 918 OH TYR A 59 10.558 -3.197 -2.165 1.00 0.00 O ATOM 0 H TYR A 59 5.546 -4.386 -1.052 1.00 0.00 H new ATOM 0 HA TYR A 59 4.754 -2.828 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.658 -1.736 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.263 -0.999 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.076 -3.460 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.596 -1.149 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.374 -4.010 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.892 -1.700 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 59 10.760 -2.771 -3.024 1.00 0.00 H new ATOM 928 N ILE A 60 2.355 -2.222 0.761 1.00 0.00 N ATOM 929 CA ILE A 60 0.907 -2.115 0.628 1.00 0.00 C ATOM 930 C ILE A 60 0.499 -0.720 0.168 1.00 0.00 C ATOM 931 O ILE A 60 0.860 0.290 0.772 1.00 0.00 O ATOM 932 CB ILE A 60 0.195 -2.435 1.955 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.507 -3.867 2.395 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.307 -2.235 1.812 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.028 -4.918 1.418 1.00 0.00 C ATOM 0 H ILE A 60 2.753 -1.654 1.509 1.00 0.00 H new ATOM 0 HA ILE A 60 0.604 -2.845 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 60 0.562 -1.752 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.584 -3.971 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.046 -4.049 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.796 -2.465 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.512 -1.200 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.690 -2.897 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.283 -5.908 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.053 -4.841 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.508 -4.763 0.452 1.00 0.00 H new ATOM 947 N PRO A 61 -0.274 -0.661 -0.926 1.00 0.00 N ATOM 948 CA PRO A 61 -0.752 0.605 -1.491 1.00 0.00 C ATOM 949 C PRO A 61 -1.789 1.282 -0.601 1.00 0.00 C ATOM 950 O PRO A 61 -2.832 0.703 -0.298 1.00 0.00 O ATOM 951 CB PRO A 61 -1.380 0.186 -2.822 1.00 0.00 C ATOM 952 CG PRO A 61 -1.771 -1.238 -2.624 1.00 0.00 C ATOM 953 CD PRO A 61 -0.743 -1.825 -1.697 1.00 0.00 C ATOM 0 HA PRO A 61 0.052 1.334 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.245 0.804 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.672 0.292 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.770 -1.312 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.791 -1.773 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.175 -2.588 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.071 -2.297 -2.247 1.00 0.00 H new ATOM 961 N ILE A 62 -1.496 2.510 -0.187 1.00 0.00 N ATOM 962 CA ILE A 62 -2.405 3.266 0.666 1.00 0.00 C ATOM 963 C ILE A 62 -3.278 4.206 -0.158 1.00 0.00 C ATOM 964 O ILE A 62 -2.774 5.076 -0.868 1.00 0.00 O ATOM 965 CB ILE A 62 -1.637 4.087 1.719 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.608 3.207 2.432 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.604 4.699 2.721 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.320 3.980 3.342 1.00 0.00 C ATOM 0 H ILE A 62 -0.636 3.003 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.038 2.539 1.175 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.108 4.895 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.132 2.451 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.015 2.678 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.047 5.276 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.302 5.354 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.157 3.906 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.022 3.293 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.871 4.718 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.263 4.487 4.111 1.00 0.00 H new