USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 492 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 57 THR OG1 : rot -72:sc= 0.0176 USER MOD Set 1.2: A 60 GLN : amide:sc= -0.249 K(o=-0.23,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 13 MET CE :methyl 138:sc= -0.49 (180deg=-3.38!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 18 THR OG1 : rot 146:sc= 0.522 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.074 K(o=-0.074,f=-0.79) USER MOD Single : A 31 THR OG1 : rot 4:sc= -4.09! USER MOD Single : A 38 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.68) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 45 GLN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.59 F(o=-3.5!,f=-1.6) USER MOD Single : A 54 SER OG : rot -80:sc= -2.06 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -3.15 (180deg=-5.15!) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00868) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N GLN A 11 4.862 11.321 -3.735 1.00 0.00 N ATOM 191 CA GLN A 11 4.508 11.694 -2.372 1.00 0.00 C ATOM 192 C GLN A 11 4.241 10.454 -1.528 1.00 0.00 C ATOM 193 O GLN A 11 4.832 10.282 -0.462 1.00 0.00 O ATOM 194 CB GLN A 11 3.276 12.601 -2.369 1.00 0.00 C ATOM 195 CG GLN A 11 3.476 13.901 -3.131 1.00 0.00 C ATOM 196 CD GLN A 11 2.441 14.950 -2.775 1.00 0.00 C ATOM 197 OE1 GLN A 11 2.763 16.129 -2.625 1.00 0.00 O ATOM 198 NE2 GLN A 11 1.190 14.528 -2.638 1.00 0.00 N ATOM 0 HA GLN A 11 5.348 12.237 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.436 12.060 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.007 12.831 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.471 14.292 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.432 13.701 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.967 13.542 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.452 15.190 -2.399 1.00 0.00 H new ATOM 207 N ILE A 12 3.370 9.579 -2.018 1.00 0.00 N ATOM 208 CA ILE A 12 3.062 8.347 -1.308 1.00 0.00 C ATOM 209 C ILE A 12 4.323 7.525 -1.090 1.00 0.00 C ATOM 210 O ILE A 12 4.540 6.972 -0.011 1.00 0.00 O ATOM 211 CB ILE A 12 2.039 7.482 -2.064 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.924 8.353 -2.658 1.00 0.00 C ATOM 213 CG2 ILE A 12 1.468 6.445 -1.125 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.289 7.569 -3.126 1.00 0.00 C ATOM 0 H ILE A 12 2.869 9.700 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 12 2.632 8.640 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 12 2.539 6.977 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.607 9.080 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.327 8.916 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.743 5.831 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.272 5.813 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.977 6.943 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.031 8.256 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.011 6.861 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.719 7.027 -2.284 1.00 0.00 H new ATOM 226 N MET A 13 5.150 7.450 -2.123 1.00 0.00 N ATOM 227 CA MET A 13 6.393 6.697 -2.057 1.00 0.00 C ATOM 228 C MET A 13 7.230 7.141 -0.866 1.00 0.00 C ATOM 229 O MET A 13 8.002 6.361 -0.309 1.00 0.00 O ATOM 230 CB MET A 13 7.190 6.879 -3.350 1.00 0.00 C ATOM 231 CG MET A 13 7.914 5.622 -3.805 1.00 0.00 C ATOM 232 SD MET A 13 9.148 5.061 -2.617 1.00 0.00 S ATOM 233 CE MET A 13 10.021 3.835 -3.588 1.00 0.00 C ATOM 0 H MET A 13 4.981 7.904 -3.021 1.00 0.00 H new ATOM 0 HA MET A 13 6.147 5.642 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.513 7.204 -4.140 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.920 7.676 -3.207 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.186 4.828 -3.969 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.398 5.813 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.093 3.930 -3.415 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.693 2.838 -3.295 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.809 3.991 -4.646 1.00 0.00 H new ATOM 243 N MET A 14 7.079 8.404 -0.491 1.00 0.00 N ATOM 244 CA MET A 14 7.830 8.967 0.614 1.00 0.00 C ATOM 245 C MET A 14 7.214 8.582 1.961 1.00 0.00 C ATOM 246 O MET A 14 7.876 8.676 2.996 1.00 0.00 O ATOM 247 CB MET A 14 7.886 10.493 0.461 1.00 0.00 C ATOM 248 CG MET A 14 8.323 11.230 1.713 1.00 0.00 C ATOM 249 SD MET A 14 8.506 13.004 1.449 1.00 0.00 S ATOM 250 CE MET A 14 9.538 13.448 2.844 1.00 0.00 C ATOM 0 H MET A 14 6.439 9.058 -0.941 1.00 0.00 H new ATOM 0 HA MET A 14 8.842 8.561 0.593 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.571 10.740 -0.350 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.900 10.853 0.167 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.593 11.058 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.271 10.819 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.740 14.519 2.821 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.024 13.196 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.479 12.900 2.790 1.00 0.00 H new ATOM 260 N GLN A 15 5.948 8.167 1.957 1.00 0.00 N ATOM 261 CA GLN A 15 5.276 7.808 3.203 1.00 0.00 C ATOM 262 C GLN A 15 5.252 6.296 3.429 1.00 0.00 C ATOM 263 O GLN A 15 5.619 5.832 4.504 1.00 0.00 O ATOM 264 CB GLN A 15 3.847 8.350 3.204 1.00 0.00 C ATOM 265 CG GLN A 15 3.773 9.868 3.231 1.00 0.00 C ATOM 266 CD GLN A 15 2.904 10.390 4.358 1.00 0.00 C ATOM 267 OE1 GLN A 15 3.155 10.112 5.531 1.00 0.00 O ATOM 268 NE2 GLN A 15 1.873 11.150 4.008 1.00 0.00 N ATOM 0 H GLN A 15 5.375 8.072 1.118 1.00 0.00 H new ATOM 0 HA GLN A 15 5.843 8.257 4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.328 7.985 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.317 7.953 4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.779 10.275 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.381 10.226 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.702 11.355 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.252 11.528 4.723 1.00 0.00 H new ATOM 277 N ILE A 16 4.878 5.536 2.394 1.00 0.00 N ATOM 278 CA ILE A 16 4.837 4.069 2.476 1.00 0.00 C ATOM 279 C ILE A 16 4.352 3.454 1.164 1.00 0.00 C ATOM 280 O ILE A 16 3.444 2.621 1.161 1.00 0.00 O ATOM 281 CB ILE A 16 3.918 3.550 3.611 1.00 0.00 C ATOM 282 CG1 ILE A 16 2.680 4.447 3.758 1.00 0.00 C ATOM 283 CG2 ILE A 16 4.688 3.425 4.919 1.00 0.00 C ATOM 284 CD1 ILE A 16 1.939 4.275 5.070 1.00 0.00 C ATOM 0 H ILE A 16 4.599 5.912 1.488 1.00 0.00 H new ATOM 0 HA ILE A 16 5.862 3.766 2.688 1.00 0.00 H new ATOM 0 HB ILE A 16 3.569 2.552 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.986 5.489 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.995 4.238 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.022 3.059 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.514 2.726 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.080 4.401 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.079 4.944 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.599 3.244 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.606 4.513 5.899 1.00 0.00 H new ATOM 296 N LEU A 17 4.947 3.856 0.048 1.00 0.00 N ATOM 297 CA LEU A 17 4.553 3.302 -1.242 1.00 0.00 C ATOM 298 C LEU A 17 5.769 2.855 -2.043 1.00 0.00 C ATOM 299 O LEU A 17 6.734 3.600 -2.203 1.00 0.00 O ATOM 300 CB LEU A 17 3.731 4.327 -2.036 1.00 0.00 C ATOM 301 CG LEU A 17 3.451 3.989 -3.510 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.519 4.600 -4.405 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.359 2.483 -3.737 1.00 0.00 C ATOM 0 H LEU A 17 5.692 4.552 0.008 1.00 0.00 H new ATOM 0 HA LEU A 17 3.933 2.425 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.775 4.463 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.251 5.284 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 17 2.484 4.419 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.307 4.352 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.520 5.683 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.496 4.203 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.160 2.285 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.300 2.014 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.550 2.073 -3.132 1.00 0.00 H new ATOM 315 N THR A 18 5.721 1.623 -2.530 1.00 0.00 N ATOM 316 CA THR A 18 6.804 1.074 -3.330 1.00 0.00 C ATOM 317 C THR A 18 6.298 0.671 -4.709 1.00 0.00 C ATOM 318 O THR A 18 5.150 0.249 -4.857 1.00 0.00 O ATOM 319 CB THR A 18 7.426 -0.135 -2.627 1.00 0.00 C ATOM 320 OG1 THR A 18 6.447 -0.838 -1.882 1.00 0.00 O ATOM 321 CG2 THR A 18 8.549 0.232 -1.683 1.00 0.00 C ATOM 0 H THR A 18 4.940 0.983 -2.384 1.00 0.00 H new ATOM 0 HA THR A 18 7.567 1.844 -3.448 1.00 0.00 H new ATOM 0 HB THR A 18 7.836 -0.755 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.650 -1.797 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.944 -0.672 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.343 0.732 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.171 0.901 -0.910 1.00 0.00 H new ATOM 329 N PRO A 19 7.152 0.769 -5.738 1.00 0.00 N ATOM 330 CA PRO A 19 6.779 0.380 -7.098 1.00 0.00 C ATOM 331 C PRO A 19 6.106 -0.987 -7.123 1.00 0.00 C ATOM 332 O PRO A 19 5.310 -1.287 -8.012 1.00 0.00 O ATOM 333 CB PRO A 19 8.118 0.340 -7.833 1.00 0.00 C ATOM 334 CG PRO A 19 8.979 1.309 -7.097 1.00 0.00 C ATOM 335 CD PRO A 19 8.546 1.242 -5.656 1.00 0.00 C ATOM 0 HA PRO A 19 6.060 1.065 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.548 -0.662 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.005 0.625 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.033 1.050 -7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.858 2.317 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.169 0.557 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.612 2.216 -5.171 1.00 0.00 H new ATOM 343 N GLU A 20 6.429 -1.808 -6.127 1.00 0.00 N ATOM 344 CA GLU A 20 5.865 -3.146 -6.020 1.00 0.00 C ATOM 345 C GLU A 20 4.397 -3.103 -5.603 1.00 0.00 C ATOM 346 O GLU A 20 3.574 -3.832 -6.148 1.00 0.00 O ATOM 347 CB GLU A 20 6.667 -3.976 -5.016 1.00 0.00 C ATOM 348 CG GLU A 20 7.618 -4.969 -5.666 1.00 0.00 C ATOM 349 CD GLU A 20 7.894 -6.172 -4.787 1.00 0.00 C ATOM 350 OE1 GLU A 20 7.903 -6.013 -3.548 1.00 0.00 O ATOM 351 OE2 GLU A 20 8.101 -7.273 -5.337 1.00 0.00 O ATOM 0 H GLU A 20 7.081 -1.567 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 20 5.922 -3.611 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.239 -3.304 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.975 -4.518 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.195 -5.305 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.558 -4.468 -5.896 1.00 0.00 H new ATOM 358 N ALA A 21 4.071 -2.254 -4.630 1.00 0.00 N ATOM 359 CA ALA A 21 2.694 -2.146 -4.148 1.00 0.00 C ATOM 360 C ALA A 21 1.726 -1.895 -5.301 1.00 0.00 C ATOM 361 O ALA A 21 0.689 -2.550 -5.407 1.00 0.00 O ATOM 362 CB ALA A 21 2.571 -1.044 -3.102 1.00 0.00 C ATOM 0 H ALA A 21 4.734 -1.636 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 21 2.430 -3.096 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.538 -0.982 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.222 -1.270 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.865 -0.091 -3.542 1.00 0.00 H new ATOM 368 N ARG A 22 2.071 -0.942 -6.163 1.00 0.00 N ATOM 369 CA ARG A 22 1.228 -0.602 -7.304 1.00 0.00 C ATOM 370 C ARG A 22 1.312 -1.669 -8.392 1.00 0.00 C ATOM 371 O ARG A 22 0.290 -2.156 -8.879 1.00 0.00 O ATOM 372 CB ARG A 22 1.638 0.759 -7.873 1.00 0.00 C ATOM 373 CG ARG A 22 0.866 1.925 -7.274 1.00 0.00 C ATOM 374 CD ARG A 22 0.791 3.096 -8.237 1.00 0.00 C ATOM 375 NE ARG A 22 0.210 2.715 -9.522 1.00 0.00 N ATOM 376 CZ ARG A 22 -1.094 2.552 -9.722 1.00 0.00 C ATOM 377 NH1 ARG A 22 -1.947 2.735 -8.723 1.00 0.00 N ATOM 378 NH2 ARG A 22 -1.545 2.206 -10.919 1.00 0.00 N ATOM 0 H ARG A 22 2.927 -0.393 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 22 0.196 -0.552 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.703 0.911 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.490 0.752 -8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.142 1.601 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.346 2.244 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.195 3.893 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.792 3.498 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 22 0.840 2.566 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.603 3.001 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.947 2.610 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.891 2.064 -11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.546 2.081 -11.070 1.00 0.00 H new ATOM 392 N SER A 23 2.534 -2.039 -8.762 1.00 0.00 N ATOM 393 CA SER A 23 2.750 -3.044 -9.796 1.00 0.00 C ATOM 394 C SER A 23 2.155 -4.387 -9.390 1.00 0.00 C ATOM 395 O SER A 23 1.537 -5.074 -10.203 1.00 0.00 O ATOM 396 CB SER A 23 4.246 -3.201 -10.077 1.00 0.00 C ATOM 397 OG SER A 23 4.472 -4.068 -11.175 1.00 0.00 O ATOM 0 H SER A 23 3.390 -1.657 -8.360 1.00 0.00 H new ATOM 0 HA SER A 23 2.247 -2.707 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.684 -2.225 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.746 -3.593 -9.191 1.00 0.00 H new ATOM 0 HG SER A 23 5.435 -4.150 -11.334 1.00 0.00 H new ATOM 403 N ARG A 24 2.351 -4.759 -8.131 1.00 0.00 N ATOM 404 CA ARG A 24 1.834 -6.019 -7.618 1.00 0.00 C ATOM 405 C ARG A 24 0.317 -6.069 -7.745 1.00 0.00 C ATOM 406 O ARG A 24 -0.238 -7.000 -8.326 1.00 0.00 O ATOM 407 CB ARG A 24 2.236 -6.202 -6.148 1.00 0.00 C ATOM 408 CG ARG A 24 1.475 -7.310 -5.435 1.00 0.00 C ATOM 409 CD ARG A 24 2.219 -7.814 -4.212 1.00 0.00 C ATOM 410 NE ARG A 24 2.596 -9.218 -4.345 1.00 0.00 N ATOM 411 CZ ARG A 24 3.352 -9.865 -3.463 1.00 0.00 C ATOM 412 NH1 ARG A 24 3.810 -9.234 -2.390 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.652 -11.142 -3.656 1.00 0.00 N ATOM 0 H ARG A 24 2.865 -4.204 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 24 2.263 -6.828 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.303 -6.417 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.074 -5.264 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.494 -6.942 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.308 -8.137 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.114 -7.211 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.593 -7.688 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 24 2.261 -9.731 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.582 -8.251 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.390 -9.732 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.303 -11.629 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.232 -11.638 -2.979 1.00 0.00 H new ATOM 427 N LEU A 25 -0.347 -5.069 -7.182 1.00 0.00 N ATOM 428 CA LEU A 25 -1.799 -5.015 -7.201 1.00 0.00 C ATOM 429 C LEU A 25 -2.331 -5.211 -8.614 1.00 0.00 C ATOM 430 O LEU A 25 -3.331 -5.899 -8.821 1.00 0.00 O ATOM 431 CB LEU A 25 -2.282 -3.682 -6.620 1.00 0.00 C ATOM 432 CG LEU A 25 -2.877 -3.762 -5.212 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.276 -2.378 -4.725 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.074 -4.700 -5.185 1.00 0.00 C ATOM 0 H LEU A 25 0.099 -4.284 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.185 -5.826 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.443 -2.986 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.032 -3.262 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.116 -4.161 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.697 -2.453 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.398 -1.733 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.020 -1.955 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.481 -4.742 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.839 -4.333 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.761 -5.698 -5.491 1.00 0.00 H new ATOM 446 N ALA A 26 -1.637 -4.637 -9.587 1.00 0.00 N ATOM 447 CA ALA A 26 -2.013 -4.800 -10.984 1.00 0.00 C ATOM 448 C ALA A 26 -1.807 -6.247 -11.416 1.00 0.00 C ATOM 449 O ALA A 26 -2.556 -6.783 -12.233 1.00 0.00 O ATOM 450 CB ALA A 26 -1.192 -3.870 -11.860 1.00 0.00 C ATOM 0 H ALA A 26 -0.813 -4.056 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.067 -4.546 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.482 -4.001 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.370 -2.837 -11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.133 -4.103 -11.746 1.00 0.00 H new ATOM 456 N ASN A 27 -0.745 -6.846 -10.895 1.00 0.00 N ATOM 457 CA ASN A 27 -0.403 -8.229 -11.197 1.00 0.00 C ATOM 458 C ASN A 27 -1.336 -9.203 -10.487 1.00 0.00 C ATOM 459 O ASN A 27 -1.848 -10.144 -11.091 1.00 0.00 O ATOM 460 CB ASN A 27 1.035 -8.504 -10.766 1.00 0.00 C ATOM 461 CG ASN A 27 1.482 -9.915 -11.097 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.104 -10.873 -10.421 1.00 0.00 O ATOM 463 ND2 ASN A 27 2.288 -10.048 -12.144 1.00 0.00 N ATOM 0 H ASN A 27 -0.098 -6.388 -10.253 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.510 -8.376 -12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.700 -7.792 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.127 -8.340 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.620 -10.973 -12.418 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.575 -9.225 -12.674 1.00 0.00 H new ATOM 470 N LEU A 28 -1.509 -8.993 -9.189 1.00 0.00 N ATOM 471 CA LEU A 28 -2.331 -9.867 -8.367 1.00 0.00 C ATOM 472 C LEU A 28 -3.716 -10.062 -8.967 1.00 0.00 C ATOM 473 O LEU A 28 -4.388 -11.056 -8.694 1.00 0.00 O ATOM 474 CB LEU A 28 -2.435 -9.312 -6.954 1.00 0.00 C ATOM 475 CG LEU A 28 -1.636 -10.090 -5.906 1.00 0.00 C ATOM 476 CD1 LEU A 28 -0.905 -9.137 -4.976 1.00 0.00 C ATOM 477 CD2 LEU A 28 -2.550 -11.015 -5.119 1.00 0.00 C ATOM 0 H LEU A 28 -1.086 -8.217 -8.680 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.849 -10.844 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.094 -8.277 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.484 -9.301 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.893 -10.700 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.343 -9.709 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.219 -8.518 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.628 -8.499 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.965 -11.560 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.316 -10.426 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.025 -11.722 -5.799 1.00 0.00 H new ATOM 489 N ARG A 29 -4.145 -9.103 -9.775 1.00 0.00 N ATOM 490 CA ARG A 29 -5.463 -9.166 -10.403 1.00 0.00 C ATOM 491 C ARG A 29 -5.675 -10.523 -11.068 1.00 0.00 C ATOM 492 O ARG A 29 -6.801 -11.007 -11.173 1.00 0.00 O ATOM 493 CB ARG A 29 -5.609 -8.062 -11.459 1.00 0.00 C ATOM 494 CG ARG A 29 -5.183 -6.679 -10.990 1.00 0.00 C ATOM 495 CD ARG A 29 -5.976 -6.237 -9.778 1.00 0.00 C ATOM 496 NE ARG A 29 -7.390 -6.580 -9.903 1.00 0.00 N ATOM 497 CZ ARG A 29 -8.263 -5.857 -10.596 1.00 0.00 C ATOM 498 NH1 ARG A 29 -7.868 -4.755 -11.220 1.00 0.00 N ATOM 499 NH2 ARG A 29 -9.533 -6.232 -10.664 1.00 0.00 N ATOM 0 H ARG A 29 -3.603 -8.272 -10.013 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.212 -9.024 -9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.018 -8.333 -12.334 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.650 -8.018 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.120 -6.687 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.321 -5.961 -11.798 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.565 -6.706 -8.884 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.873 -5.160 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.726 -7.420 -9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.893 -4.461 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.540 -4.201 -11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.842 -7.077 -10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.201 -5.675 -11.197 1.00 0.00 H new ATOM 513 N LEU A 30 -4.580 -11.134 -11.509 1.00 0.00 N ATOM 514 CA LEU A 30 -4.642 -12.434 -12.171 1.00 0.00 C ATOM 515 C LEU A 30 -4.540 -13.585 -11.162 1.00 0.00 C ATOM 516 O LEU A 30 -4.873 -14.726 -11.482 1.00 0.00 O ATOM 517 CB LEU A 30 -3.538 -12.531 -13.246 1.00 0.00 C ATOM 518 CG LEU A 30 -2.292 -13.359 -12.887 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.387 -13.506 -14.100 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.532 -12.723 -11.734 1.00 0.00 C ATOM 0 H LEU A 30 -3.639 -10.751 -11.420 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.612 -12.525 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.979 -12.954 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.215 -11.520 -13.493 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.621 -14.350 -12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.510 -14.094 -13.830 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.930 -14.010 -14.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.072 -12.520 -14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.656 -13.327 -11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.216 -11.719 -12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.179 -12.667 -10.859 1.00 0.00 H new ATOM 532 N THR A 31 -4.065 -13.286 -9.955 1.00 0.00 N ATOM 533 CA THR A 31 -3.905 -14.309 -8.928 1.00 0.00 C ATOM 534 C THR A 31 -5.195 -14.509 -8.143 1.00 0.00 C ATOM 535 O THR A 31 -5.980 -15.409 -8.443 1.00 0.00 O ATOM 536 CB THR A 31 -2.766 -13.938 -7.977 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.878 -12.587 -7.569 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.393 -14.125 -8.585 1.00 0.00 C ATOM 0 H THR A 31 -3.786 -12.348 -9.666 1.00 0.00 H new ATOM 0 HA THR A 31 -3.661 -15.247 -9.427 1.00 0.00 H new ATOM 0 HB THR A 31 -2.862 -14.616 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.700 -12.201 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.632 -13.844 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.259 -15.170 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.299 -13.496 -9.470 1.00 0.00 H new ATOM 546 N ARG A 32 -5.409 -13.674 -7.129 1.00 0.00 N ATOM 547 CA ARG A 32 -6.614 -13.777 -6.314 1.00 0.00 C ATOM 548 C ARG A 32 -7.412 -12.475 -6.336 1.00 0.00 C ATOM 549 O ARG A 32 -6.873 -11.405 -6.054 1.00 0.00 O ATOM 550 CB ARG A 32 -6.246 -14.123 -4.867 1.00 0.00 C ATOM 551 CG ARG A 32 -5.047 -15.049 -4.748 1.00 0.00 C ATOM 552 CD ARG A 32 -4.965 -15.683 -3.369 1.00 0.00 C ATOM 553 NE ARG A 32 -4.645 -17.104 -3.440 1.00 0.00 N ATOM 554 CZ ARG A 32 -5.434 -18.009 -4.010 1.00 0.00 C ATOM 555 NH1 ARG A 32 -6.585 -17.636 -4.555 1.00 0.00 N ATOM 556 NH2 ARG A 32 -5.074 -19.284 -4.036 1.00 0.00 N ATOM 0 H ARG A 32 -4.771 -12.927 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.232 -14.570 -6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.038 -13.201 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.104 -14.590 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.113 -15.830 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.133 -14.489 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.206 -15.169 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.915 -15.551 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.767 -17.421 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.864 -16.655 -4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.191 -18.330 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.190 -19.573 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.681 -19.977 -4.474 1.00 0.00 H new ATOM 570 N PRO A 33 -8.723 -12.551 -6.635 1.00 0.00 N ATOM 571 CA PRO A 33 -9.602 -11.379 -6.636 1.00 0.00 C ATOM 572 C PRO A 33 -9.907 -10.880 -5.226 1.00 0.00 C ATOM 573 O PRO A 33 -10.377 -9.757 -5.042 1.00 0.00 O ATOM 574 CB PRO A 33 -10.873 -11.895 -7.309 1.00 0.00 C ATOM 575 CG PRO A 33 -10.897 -13.348 -6.989 1.00 0.00 C ATOM 576 CD PRO A 33 -9.460 -13.790 -6.957 1.00 0.00 C ATOM 0 HA PRO A 33 -9.149 -10.528 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.759 -11.389 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.850 -11.725 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.382 -13.528 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.459 -13.903 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.295 -14.562 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.147 -14.205 -7.915 1.00 0.00 H new ATOM 584 N ASP A 34 -9.681 -11.741 -4.235 1.00 0.00 N ATOM 585 CA ASP A 34 -9.975 -11.407 -2.845 1.00 0.00 C ATOM 586 C ASP A 34 -9.054 -10.310 -2.327 1.00 0.00 C ATOM 587 O ASP A 34 -9.513 -9.304 -1.787 1.00 0.00 O ATOM 588 CB ASP A 34 -9.844 -12.652 -1.966 1.00 0.00 C ATOM 589 CG ASP A 34 -10.634 -13.827 -2.509 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.119 -13.738 -3.656 1.00 0.00 O ATOM 591 OD2 ASP A 34 -10.769 -14.837 -1.785 1.00 0.00 O ATOM 0 H ASP A 34 -9.295 -12.675 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.999 -11.037 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.793 -12.929 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.189 -12.420 -0.958 1.00 0.00 H new ATOM 596 N PHE A 35 -7.753 -10.514 -2.487 1.00 0.00 N ATOM 597 CA PHE A 35 -6.770 -9.547 -2.024 1.00 0.00 C ATOM 598 C PHE A 35 -7.083 -8.157 -2.589 1.00 0.00 C ATOM 599 O PHE A 35 -7.166 -7.178 -1.848 1.00 0.00 O ATOM 600 CB PHE A 35 -5.354 -10.028 -2.410 1.00 0.00 C ATOM 601 CG PHE A 35 -4.433 -8.979 -2.984 1.00 0.00 C ATOM 602 CD1 PHE A 35 -4.509 -8.640 -4.322 1.00 0.00 C ATOM 603 CD2 PHE A 35 -3.495 -8.347 -2.187 1.00 0.00 C ATOM 604 CE1 PHE A 35 -3.666 -7.687 -4.859 1.00 0.00 C ATOM 605 CE2 PHE A 35 -2.647 -7.392 -2.717 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.736 -7.059 -4.054 1.00 0.00 C ATOM 0 H PHE A 35 -7.355 -11.340 -2.934 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.813 -9.467 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.882 -10.452 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.451 -10.835 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.236 -9.126 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.424 -8.602 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.734 -7.433 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.916 -6.907 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.080 -6.309 -4.470 1.00 0.00 H new ATOM 616 N VAL A 36 -7.253 -8.086 -3.903 1.00 0.00 N ATOM 617 CA VAL A 36 -7.534 -6.820 -4.568 1.00 0.00 C ATOM 618 C VAL A 36 -8.737 -6.113 -3.954 1.00 0.00 C ATOM 619 O VAL A 36 -8.659 -4.940 -3.601 1.00 0.00 O ATOM 620 CB VAL A 36 -7.801 -7.013 -6.073 1.00 0.00 C ATOM 621 CG1 VAL A 36 -7.942 -5.665 -6.756 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.701 -7.837 -6.725 1.00 0.00 C ATOM 0 H VAL A 36 -7.201 -8.890 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.643 -6.206 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.736 -7.562 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.130 -5.814 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.774 -5.118 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.023 -5.094 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.917 -7.957 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.745 -7.328 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.652 -8.818 -6.252 1.00 0.00 H new ATOM 632 N GLU A 37 -9.860 -6.816 -3.863 1.00 0.00 N ATOM 633 CA GLU A 37 -11.094 -6.223 -3.354 1.00 0.00 C ATOM 634 C GLU A 37 -10.888 -5.528 -2.010 1.00 0.00 C ATOM 635 O GLU A 37 -11.225 -4.354 -1.850 1.00 0.00 O ATOM 636 CB GLU A 37 -12.174 -7.299 -3.218 1.00 0.00 C ATOM 637 CG GLU A 37 -12.656 -7.848 -4.550 1.00 0.00 C ATOM 638 CD GLU A 37 -13.510 -9.092 -4.394 1.00 0.00 C ATOM 639 OE1 GLU A 37 -13.784 -9.482 -3.240 1.00 0.00 O ATOM 640 OE2 GLU A 37 -13.902 -9.676 -5.425 1.00 0.00 O ATOM 0 H GLU A 37 -9.943 -7.796 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.411 -5.467 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.784 -8.120 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.024 -6.883 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.230 -7.080 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.795 -8.079 -5.176 1.00 0.00 H new ATOM 647 N GLN A 38 -10.316 -6.246 -1.047 1.00 0.00 N ATOM 648 CA GLN A 38 -10.093 -5.689 0.283 1.00 0.00 C ATOM 649 C GLN A 38 -8.964 -4.667 0.263 1.00 0.00 C ATOM 650 O GLN A 38 -9.129 -3.526 0.706 1.00 0.00 O ATOM 651 CB GLN A 38 -9.766 -6.805 1.277 1.00 0.00 C ATOM 652 CG GLN A 38 -9.491 -6.307 2.684 1.00 0.00 C ATOM 653 CD GLN A 38 -10.226 -7.107 3.740 1.00 0.00 C ATOM 654 OE1 GLN A 38 -10.497 -8.294 3.561 1.00 0.00 O ATOM 655 NE2 GLN A 38 -10.553 -6.459 4.853 1.00 0.00 N ATOM 0 H GLN A 38 -10.000 -7.209 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.008 -5.187 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.598 -7.509 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.896 -7.355 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.420 -6.353 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.783 -5.260 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.309 -5.474 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.048 -6.946 5.600 1.00 0.00 H new ATOM 664 N ILE A 39 -7.823 -5.074 -0.277 1.00 0.00 N ATOM 665 CA ILE A 39 -6.671 -4.193 -0.367 1.00 0.00 C ATOM 666 C ILE A 39 -7.042 -2.911 -1.110 1.00 0.00 C ATOM 667 O ILE A 39 -6.765 -1.815 -0.634 1.00 0.00 O ATOM 668 CB ILE A 39 -5.479 -4.900 -1.058 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.017 -6.091 -0.180 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.343 -3.910 -1.347 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.518 -6.217 0.033 1.00 0.00 C ATOM 0 H ILE A 39 -7.672 -6.008 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.362 -3.933 0.645 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.794 -5.291 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.497 -6.006 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.379 -7.014 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.519 -4.433 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.707 -3.119 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.994 -3.473 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.311 -7.084 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.023 -6.341 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.143 -5.317 0.521 1.00 0.00 H new ATOM 683 N GLU A 40 -7.720 -3.054 -2.245 1.00 0.00 N ATOM 684 CA GLU A 40 -8.129 -1.901 -3.041 1.00 0.00 C ATOM 685 C GLU A 40 -8.910 -0.897 -2.205 1.00 0.00 C ATOM 686 O GLU A 40 -8.613 0.293 -2.221 1.00 0.00 O ATOM 687 CB GLU A 40 -8.979 -2.338 -4.234 1.00 0.00 C ATOM 688 CG GLU A 40 -8.167 -2.946 -5.363 1.00 0.00 C ATOM 689 CD GLU A 40 -7.365 -1.913 -6.129 1.00 0.00 C ATOM 690 OE1 GLU A 40 -7.872 -0.786 -6.312 1.00 0.00 O ATOM 691 OE2 GLU A 40 -6.231 -2.230 -6.546 1.00 0.00 O ATOM 0 H GLU A 40 -7.997 -3.955 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.220 -1.421 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.719 -3.064 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.528 -1.477 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.490 -3.696 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.837 -3.462 -6.050 1.00 0.00 H new ATOM 698 N LEU A 41 -9.913 -1.377 -1.476 1.00 0.00 N ATOM 699 CA LEU A 41 -10.733 -0.495 -0.653 1.00 0.00 C ATOM 700 C LEU A 41 -9.856 0.394 0.227 1.00 0.00 C ATOM 701 O LEU A 41 -9.964 1.622 0.194 1.00 0.00 O ATOM 702 CB LEU A 41 -11.687 -1.314 0.212 1.00 0.00 C ATOM 703 CG LEU A 41 -12.897 -0.545 0.745 1.00 0.00 C ATOM 704 CD1 LEU A 41 -13.930 -1.505 1.314 1.00 0.00 C ATOM 705 CD2 LEU A 41 -12.466 0.465 1.797 1.00 0.00 C ATOM 0 H LEU A 41 -10.176 -2.362 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.317 0.145 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.043 -2.164 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.131 -1.718 1.058 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.353 -0.003 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.784 -0.940 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.261 -2.188 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.486 -2.075 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.340 1.003 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.985 -0.055 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.764 1.172 1.356 1.00 0.00 H new ATOM 717 N GLN A 42 -8.950 -0.234 0.971 1.00 0.00 N ATOM 718 CA GLN A 42 -8.041 0.499 1.845 1.00 0.00 C ATOM 719 C GLN A 42 -6.969 1.224 1.036 1.00 0.00 C ATOM 720 O GLN A 42 -6.507 2.300 1.415 1.00 0.00 O ATOM 721 CB GLN A 42 -7.383 -0.456 2.845 1.00 0.00 C ATOM 722 CG GLN A 42 -7.703 -0.135 4.295 1.00 0.00 C ATOM 723 CD GLN A 42 -6.461 -0.015 5.154 1.00 0.00 C ATOM 724 OE1 GLN A 42 -6.139 1.063 5.654 1.00 0.00 O ATOM 725 NE2 GLN A 42 -5.753 -1.125 5.330 1.00 0.00 N ATOM 0 H GLN A 42 -8.826 -1.246 0.986 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.623 1.243 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.705 -1.474 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.302 -0.427 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.264 0.799 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.348 -0.914 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.056 -1.997 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.906 -1.105 5.898 1.00 0.00 H new ATOM 734 N LEU A 43 -6.569 0.616 -0.076 1.00 0.00 N ATOM 735 CA LEU A 43 -5.536 1.178 -0.936 1.00 0.00 C ATOM 736 C LEU A 43 -6.022 2.441 -1.643 1.00 0.00 C ATOM 737 O LEU A 43 -5.385 3.491 -1.571 1.00 0.00 O ATOM 738 CB LEU A 43 -5.111 0.134 -1.975 1.00 0.00 C ATOM 739 CG LEU A 43 -3.765 0.391 -2.646 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.791 1.711 -3.404 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.653 0.376 -1.610 1.00 0.00 C ATOM 0 H LEU A 43 -6.948 -0.272 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.685 1.450 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.077 -0.842 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.879 0.081 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.571 -0.404 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.823 1.878 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.567 1.676 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.002 2.525 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.697 0.560 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.836 1.153 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.627 -0.596 -1.118 1.00 0.00 H new ATOM 753 N ILE A 44 -7.169 2.338 -2.305 1.00 0.00 N ATOM 754 CA ILE A 44 -7.736 3.462 -3.038 1.00 0.00 C ATOM 755 C ILE A 44 -8.027 4.639 -2.117 1.00 0.00 C ATOM 756 O ILE A 44 -7.774 5.790 -2.471 1.00 0.00 O ATOM 757 CB ILE A 44 -9.034 3.065 -3.764 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.516 4.212 -4.656 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.109 2.683 -2.759 1.00 0.00 C ATOM 760 CD1 ILE A 44 -10.879 3.974 -5.265 1.00 0.00 C ATOM 0 H ILE A 44 -7.725 1.484 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.989 3.759 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.829 2.199 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.545 5.130 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.792 4.368 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.020 2.405 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.765 1.839 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.314 3.531 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.155 4.828 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.851 3.074 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.615 3.848 -4.471 1.00 0.00 H new ATOM 772 N GLN A 45 -8.569 4.349 -0.939 1.00 0.00 N ATOM 773 CA GLN A 45 -8.915 5.397 0.011 1.00 0.00 C ATOM 774 C GLN A 45 -7.668 6.059 0.591 1.00 0.00 C ATOM 775 O GLN A 45 -7.681 7.247 0.913 1.00 0.00 O ATOM 776 CB GLN A 45 -9.775 4.824 1.137 1.00 0.00 C ATOM 777 CG GLN A 45 -10.932 5.729 1.533 1.00 0.00 C ATOM 778 CD GLN A 45 -11.834 5.102 2.576 1.00 0.00 C ATOM 779 OE1 GLN A 45 -13.049 5.016 2.392 1.00 0.00 O ATOM 780 NE2 GLN A 45 -11.246 4.662 3.682 1.00 0.00 N ATOM 0 H GLN A 45 -8.777 3.402 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.482 6.159 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.170 3.857 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.147 4.647 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.537 6.669 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.520 5.969 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.236 4.753 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.804 4.233 4.420 1.00 0.00 H new ATOM 789 N LEU A 46 -6.598 5.285 0.740 1.00 0.00 N ATOM 790 CA LEU A 46 -5.362 5.799 1.319 1.00 0.00 C ATOM 791 C LEU A 46 -4.653 6.773 0.378 1.00 0.00 C ATOM 792 O LEU A 46 -4.357 7.907 0.755 1.00 0.00 O ATOM 793 CB LEU A 46 -4.423 4.637 1.659 1.00 0.00 C ATOM 794 CG LEU A 46 -4.508 4.123 3.099 1.00 0.00 C ATOM 795 CD1 LEU A 46 -3.719 5.025 4.034 1.00 0.00 C ATOM 796 CD2 LEU A 46 -5.958 4.021 3.551 1.00 0.00 C ATOM 0 H LEU A 46 -6.562 4.302 0.469 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.625 6.343 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.637 3.809 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.398 4.951 1.463 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.071 3.125 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.791 4.645 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.674 5.043 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.126 6.035 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.994 3.654 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.425 5.005 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.495 3.331 2.899 1.00 0.00 H new ATOM 808 N ALA A 47 -4.392 6.330 -0.848 1.00 0.00 N ATOM 809 CA ALA A 47 -3.696 7.155 -1.830 1.00 0.00 C ATOM 810 C ALA A 47 -4.596 8.254 -2.388 1.00 0.00 C ATOM 811 O ALA A 47 -4.230 9.429 -2.387 1.00 0.00 O ATOM 812 CB ALA A 47 -3.158 6.286 -2.957 1.00 0.00 C ATOM 0 H ALA A 47 -4.652 5.403 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.863 7.642 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.641 6.912 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.463 5.552 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.985 5.771 -3.445 1.00 0.00 H new ATOM 818 N GLN A 48 -5.762 7.862 -2.887 1.00 0.00 N ATOM 819 CA GLN A 48 -6.695 8.806 -3.493 1.00 0.00 C ATOM 820 C GLN A 48 -7.372 9.686 -2.445 1.00 0.00 C ATOM 821 O GLN A 48 -7.582 10.878 -2.670 1.00 0.00 O ATOM 822 CB GLN A 48 -7.752 8.052 -4.300 1.00 0.00 C ATOM 823 CG GLN A 48 -7.167 7.015 -5.244 1.00 0.00 C ATOM 824 CD GLN A 48 -8.102 6.672 -6.387 1.00 0.00 C ATOM 825 OE1 GLN A 48 -9.399 6.651 -6.107 1.00 0.00 O flip ATOM 826 NE2 GLN A 48 -7.662 6.426 -7.511 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.085 6.895 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.123 9.456 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.440 7.559 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.337 8.768 -4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.226 7.388 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.936 6.109 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.657 6.453 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.303 6.195 -8.270 1.00 0.00 H new ATOM 899 N ARG A 53 -2.507 10.210 4.056 1.00 0.00 N ATOM 900 CA ARG A 53 -2.700 8.778 3.865 1.00 0.00 C ATOM 901 C ARG A 53 -2.039 8.306 2.573 1.00 0.00 C ATOM 902 O ARG A 53 -2.264 8.876 1.506 1.00 0.00 O ATOM 903 CB ARG A 53 -4.194 8.448 3.845 1.00 0.00 C ATOM 904 CG ARG A 53 -4.976 9.119 4.963 1.00 0.00 C ATOM 905 CD ARG A 53 -6.113 8.238 5.457 1.00 0.00 C ATOM 906 NE ARG A 53 -6.043 8.014 6.899 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.310 8.952 7.803 1.00 0.00 C ATOM 908 NH1 ARG A 53 -6.664 10.169 7.415 1.00 0.00 N ATOM 909 NH2 ARG A 53 -6.224 8.673 9.097 1.00 0.00 N ATOM 0 HA ARG A 53 -2.230 8.255 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.613 8.752 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.321 7.368 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.305 9.347 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.378 10.068 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.067 8.703 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.081 7.280 4.939 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.775 7.087 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.732 10.388 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.868 10.887 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.953 7.738 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.429 9.394 9.789 1.00 0.00 H new ATOM 923 N SER A 54 -1.211 7.272 2.682 1.00 0.00 N ATOM 924 CA SER A 54 -0.503 6.731 1.526 1.00 0.00 C ATOM 925 C SER A 54 -0.860 5.261 1.305 1.00 0.00 C ATOM 926 O SER A 54 -1.116 4.528 2.260 1.00 0.00 O ATOM 927 CB SER A 54 1.008 6.881 1.726 1.00 0.00 C ATOM 928 OG SER A 54 1.309 7.331 3.035 1.00 0.00 O ATOM 0 H SER A 54 -1.013 6.791 3.560 1.00 0.00 H new ATOM 0 HA SER A 54 -0.808 7.291 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.498 5.924 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.406 7.586 0.996 1.00 0.00 H new ATOM 0 HG SER A 54 1.176 8.301 3.086 1.00 0.00 H new ATOM 934 N LYS A 55 -0.849 4.826 0.044 1.00 0.00 N ATOM 935 CA LYS A 55 -1.167 3.451 -0.291 1.00 0.00 C ATOM 936 C LYS A 55 -0.204 2.488 0.409 1.00 0.00 C ATOM 937 O LYS A 55 0.959 2.816 0.644 1.00 0.00 O ATOM 938 CB LYS A 55 -1.157 3.281 -1.820 1.00 0.00 C ATOM 939 CG LYS A 55 0.124 2.712 -2.404 1.00 0.00 C ATOM 940 CD LYS A 55 -0.006 2.515 -3.902 1.00 0.00 C ATOM 941 CE LYS A 55 0.107 1.046 -4.290 1.00 0.00 C ATOM 942 NZ LYS A 55 -1.171 0.514 -4.837 1.00 0.00 N ATOM 0 H LYS A 55 -0.622 5.413 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.167 3.207 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.985 2.630 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.345 4.252 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.955 3.385 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.355 1.760 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.966 2.907 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.769 3.087 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.897 0.927 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.399 0.462 -3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.968 -0.240 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.747 0.130 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.692 1.280 -5.309 1.00 0.00 H new ATOM 956 N ILE A 56 -0.725 1.337 0.807 1.00 0.00 N ATOM 957 CA ILE A 56 0.048 0.345 1.534 1.00 0.00 C ATOM 958 C ILE A 56 1.167 -0.247 0.681 1.00 0.00 C ATOM 959 O ILE A 56 1.009 -0.447 -0.523 1.00 0.00 O ATOM 960 CB ILE A 56 -0.863 -0.789 2.032 1.00 0.00 C ATOM 961 CG1 ILE A 56 -2.062 -0.213 2.788 1.00 0.00 C ATOM 962 CG2 ILE A 56 -0.089 -1.746 2.914 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.344 -0.986 2.566 1.00 0.00 C ATOM 0 H ILE A 56 -1.693 1.066 0.635 1.00 0.00 H new ATOM 0 HA ILE A 56 0.500 0.856 2.384 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.230 -1.342 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.836 -0.198 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.213 0.822 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.751 -2.541 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.735 -2.179 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.307 -1.208 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.152 -0.522 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.594 -0.979 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.211 -2.015 2.901 1.00 0.00 H new ATOM 975 N THR A 57 2.303 -0.519 1.322 1.00 0.00 N ATOM 976 CA THR A 57 3.459 -1.088 0.637 1.00 0.00 C ATOM 977 C THR A 57 3.262 -2.577 0.369 1.00 0.00 C ATOM 978 O THR A 57 2.499 -3.247 1.063 1.00 0.00 O ATOM 979 CB THR A 57 4.725 -0.879 1.469 1.00 0.00 C ATOM 980 OG1 THR A 57 4.762 -1.786 2.558 1.00 0.00 O ATOM 981 CG2 THR A 57 4.853 0.519 2.032 1.00 0.00 C ATOM 0 H THR A 57 2.446 -0.353 2.318 1.00 0.00 H new ATOM 0 HA THR A 57 3.566 -0.575 -0.319 1.00 0.00 H new ATOM 0 HB THR A 57 5.553 -1.050 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.097 -1.521 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.774 0.595 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.877 1.240 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.000 0.731 2.677 1.00 0.00 H new ATOM 989 N ASP A 58 3.974 -3.089 -0.631 1.00 0.00 N ATOM 990 CA ASP A 58 3.880 -4.497 -0.998 1.00 0.00 C ATOM 991 C ASP A 58 4.079 -5.391 0.220 1.00 0.00 C ATOM 992 O ASP A 58 3.453 -6.445 0.338 1.00 0.00 O ATOM 993 CB ASP A 58 4.922 -4.833 -2.065 1.00 0.00 C ATOM 994 CG ASP A 58 6.341 -4.731 -1.539 1.00 0.00 C ATOM 995 OD1 ASP A 58 6.749 -5.612 -0.754 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.043 -3.765 -1.908 1.00 0.00 O ATOM 0 H ASP A 58 4.623 -2.548 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 58 2.883 -4.678 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.746 -5.843 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.802 -4.157 -2.912 1.00 0.00 H new ATOM 1001 N GLU A 59 4.948 -4.962 1.126 1.00 0.00 N ATOM 1002 CA GLU A 59 5.218 -5.720 2.339 1.00 0.00 C ATOM 1003 C GLU A 59 3.922 -6.009 3.088 1.00 0.00 C ATOM 1004 O GLU A 59 3.631 -7.154 3.433 1.00 0.00 O ATOM 1005 CB GLU A 59 6.182 -4.950 3.242 1.00 0.00 C ATOM 1006 CG GLU A 59 6.454 -5.640 4.570 1.00 0.00 C ATOM 1007 CD GLU A 59 6.565 -4.662 5.722 1.00 0.00 C ATOM 1008 OE1 GLU A 59 7.593 -3.956 5.807 1.00 0.00 O ATOM 1009 OE2 GLU A 59 5.625 -4.603 6.544 1.00 0.00 O ATOM 0 H GLU A 59 5.477 -4.094 1.043 1.00 0.00 H new ATOM 0 HA GLU A 59 5.678 -6.667 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.126 -4.809 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.773 -3.958 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.654 -6.350 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.378 -6.214 4.495 1.00 0.00 H new ATOM 1016 N GLN A 60 3.140 -4.962 3.329 1.00 0.00 N ATOM 1017 CA GLN A 60 1.875 -5.109 4.034 1.00 0.00 C ATOM 1018 C GLN A 60 0.854 -5.837 3.164 1.00 0.00 C ATOM 1019 O GLN A 60 0.180 -6.755 3.630 1.00 0.00 O ATOM 1020 CB GLN A 60 1.343 -3.745 4.463 1.00 0.00 C ATOM 1021 CG GLN A 60 1.654 -3.400 5.910 1.00 0.00 C ATOM 1022 CD GLN A 60 2.207 -1.997 6.069 1.00 0.00 C ATOM 1023 OE1 GLN A 60 2.753 -1.422 5.126 1.00 0.00 O ATOM 1024 NE2 GLN A 60 2.072 -1.438 7.266 1.00 0.00 N ATOM 0 H GLN A 60 3.360 -4.007 3.047 1.00 0.00 H new ATOM 0 HA GLN A 60 2.047 -5.708 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.768 -2.978 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.263 -3.723 4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.747 -3.499 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.374 -4.117 6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.613 -1.950 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.427 -0.496 7.432 1.00 0.00 H new ATOM 1033 N LEU A 61 0.771 -5.459 1.885 1.00 0.00 N ATOM 1034 CA LEU A 61 -0.138 -6.125 0.960 1.00 0.00 C ATOM 1035 C LEU A 61 0.095 -7.621 0.996 1.00 0.00 C ATOM 1036 O LEU A 61 -0.834 -8.412 0.841 1.00 0.00 O ATOM 1037 CB LEU A 61 0.067 -5.621 -0.468 1.00 0.00 C ATOM 1038 CG LEU A 61 -0.632 -4.309 -0.789 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.128 -3.165 -0.170 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -0.762 -4.117 -2.294 1.00 0.00 C ATOM 0 H LEU A 61 1.318 -4.703 1.474 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.159 -5.900 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.136 -5.500 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.287 -6.384 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.638 -4.335 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.375 -2.226 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.169 -3.298 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.141 -3.142 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.265 -3.172 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.230 -4.105 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.344 -4.936 -2.716 1.00 0.00 H new ATOM 1052 N LYS A 62 1.349 -8.004 1.202 1.00 0.00 N ATOM 1053 CA LYS A 62 1.693 -9.407 1.253 1.00 0.00 C ATOM 1054 C LYS A 62 1.073 -10.044 2.497 1.00 0.00 C ATOM 1055 O LYS A 62 0.389 -11.064 2.410 1.00 0.00 O ATOM 1056 CB LYS A 62 3.223 -9.602 1.182 1.00 0.00 C ATOM 1057 CG LYS A 62 3.911 -9.967 2.496 1.00 0.00 C ATOM 1058 CD LYS A 62 3.648 -11.414 2.880 1.00 0.00 C ATOM 1059 CE LYS A 62 4.905 -12.260 2.756 1.00 0.00 C ATOM 1060 NZ LYS A 62 5.379 -12.349 1.347 1.00 0.00 N ATOM 0 H LYS A 62 2.133 -7.365 1.335 1.00 0.00 H new ATOM 0 HA LYS A 62 1.280 -9.916 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.437 -10.384 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.670 -8.683 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.985 -9.804 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.556 -9.309 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.278 -11.458 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.867 -11.825 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.692 -11.833 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.707 -13.262 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.197 -12.989 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.614 -12.717 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.657 -11.404 1.014 1.00 0.00 H new ATOM 1074 N GLU A 63 1.283 -9.407 3.648 1.00 0.00 N ATOM 1075 CA GLU A 63 0.664 -9.859 4.886 1.00 0.00 C ATOM 1076 C GLU A 63 -0.843 -9.846 4.718 1.00 0.00 C ATOM 1077 O GLU A 63 -1.555 -10.684 5.272 1.00 0.00 O ATOM 1078 CB GLU A 63 1.077 -8.971 6.053 1.00 0.00 C ATOM 1079 CG GLU A 63 2.519 -8.497 5.980 1.00 0.00 C ATOM 1080 CD GLU A 63 3.048 -8.029 7.321 1.00 0.00 C ATOM 1081 OE1 GLU A 63 3.509 -8.882 8.108 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.000 -6.809 7.585 1.00 0.00 O ATOM 0 H GLU A 63 1.874 -8.581 3.746 1.00 0.00 H new ATOM 0 HA GLU A 63 0.999 -10.873 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.420 -8.102 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.931 -9.518 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.146 -9.308 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.594 -7.682 5.260 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.321 -8.882 3.940 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.735 -8.778 3.641 1.00 0.00 C ATOM 1091 C LEU A 64 -3.169 -9.962 2.788 1.00 0.00 C ATOM 1092 O LEU A 64 -4.250 -10.505 2.972 1.00 0.00 O ATOM 1093 CB LEU A 64 -3.032 -7.464 2.914 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.527 -6.327 3.813 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.172 -4.972 3.216 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.028 -6.437 4.034 1.00 0.00 C ATOM 0 H LEU A 64 -0.744 -8.161 3.506 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.295 -8.788 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.127 -7.136 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.781 -7.652 2.145 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.029 -6.414 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.533 -4.180 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.090 -4.892 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.638 -4.873 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.362 -5.621 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.542 -6.379 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.257 -7.390 4.511 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.288 -10.385 1.884 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.566 -11.512 1.007 1.00 0.00 C ATOM 1110 C LEU A 65 -2.902 -12.769 1.797 1.00 0.00 C ATOM 1111 O LEU A 65 -3.837 -13.497 1.463 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.353 -11.783 0.124 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.682 -12.110 -1.322 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.836 -10.832 -2.115 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.612 -13.005 -1.926 1.00 0.00 C ATOM 0 H LEU A 65 -1.372 -9.959 1.742 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.430 -11.254 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.702 -10.909 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.788 -12.612 0.550 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.626 -12.654 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.072 -11.073 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.642 -10.234 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.905 -10.266 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.866 -13.228 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.351 -12.496 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.552 -13.934 -1.359 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.102 -13.046 2.814 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.299 -14.231 3.634 1.00 0.00 C ATOM 1129 C LYS A 66 -3.592 -14.137 4.433 1.00 0.00 C ATOM 1130 O LYS A 66 -4.342 -15.109 4.536 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.112 -14.420 4.578 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.567 -15.838 4.588 1.00 0.00 C ATOM 1133 CD LYS A 66 0.518 -16.021 3.541 1.00 0.00 C ATOM 1134 CE LYS A 66 1.864 -15.528 4.044 1.00 0.00 C ATOM 1135 NZ LYS A 66 2.984 -15.976 3.172 1.00 0.00 N ATOM 0 H LYS A 66 -1.310 -12.466 3.092 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.371 -15.093 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.315 -13.735 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.415 -14.148 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.165 -16.068 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.378 -16.542 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.592 -17.075 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.246 -15.480 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.856 -14.439 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.027 -15.891 5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.884 -15.618 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.009 -17.015 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.843 -15.608 2.209 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.844 -12.967 5.010 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.039 -12.760 5.818 1.00 0.00 C ATOM 1151 C ARG A 67 -6.290 -12.595 4.949 1.00 0.00 C ATOM 1152 O ARG A 67 -7.370 -13.052 5.320 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.856 -11.554 6.737 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.724 -10.257 5.984 1.00 0.00 C ATOM 1155 CD ARG A 67 -4.071 -9.178 6.834 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.564 -9.189 8.209 1.00 0.00 N ATOM 1157 CZ ARG A 67 -4.019 -8.478 9.192 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.969 -7.706 8.950 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -4.524 -8.540 10.416 1.00 0.00 N ATOM 0 H ARG A 67 -3.238 -12.150 4.933 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.184 -13.650 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.706 -11.489 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.968 -11.703 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.133 -10.418 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.710 -9.921 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.991 -9.322 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.261 -8.201 6.389 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.371 -9.774 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.578 -7.657 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.552 -7.161 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.332 -9.134 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.105 -7.994 11.169 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.142 -11.956 3.786 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.263 -11.742 2.887 1.00 0.00 C ATOM 1175 C VAL A 68 -7.673 -13.034 2.188 1.00 0.00 C ATOM 1176 O VAL A 68 -8.861 -13.319 2.037 1.00 0.00 O ATOM 1177 CB VAL A 68 -6.928 -10.682 1.821 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -6.588 -9.349 2.471 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -5.806 -11.152 0.909 1.00 0.00 C ATOM 0 H VAL A 68 -5.255 -11.580 3.451 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.093 -11.389 3.499 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.814 -10.538 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.355 -8.616 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.440 -9.001 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.725 -9.473 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.593 -10.382 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.911 -11.343 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.108 -12.069 0.403 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.683 -13.806 1.754 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.941 -15.062 1.062 1.00 0.00 C ATOM 1191 C ALA A 69 -7.673 -16.048 1.965 1.00 0.00 C ATOM 1192 O ALA A 69 -7.274 -16.275 3.106 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.637 -15.665 0.562 1.00 0.00 C ATOM 0 H ALA A 69 -5.694 -13.583 1.869 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.583 -14.852 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.844 -16.603 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.156 -14.971 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.976 -15.854 1.408 1.00 0.00 H new