USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 73 LYS NZ :NH3+ -136:sc= -0.2 (180deg=-1.29) USER MOD Set 1.2: A 78 THR OG1 : rot 102:sc= 0.179 USER MOD Single : A 17 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.28) USER MOD Single : A 19 THR OG1 : rot 50:sc= -1.81! USER MOD Single : A 22 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.1!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -2.4! (180deg=-2.93!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.75 USER MOD Single : A 41 ASN : amide:sc= -5.8! C(o=-5.8!,f=-15!) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.257 (180deg=-1.08) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00127 USER MOD Single : A 47 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.18) USER MOD Single : A 52 ASN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 56 SER OG : rot -138:sc= 0.787 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.0414 (180deg=-0.209) USER MOD Single : A 65 ASN : amide:sc= -4.48! C(o=-4.5!,f=-16!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.096) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 170:sc= 0.0372 USER MOD Single : A 80 HIS : no HD1:sc= -0.588 K(o=-0.59,f=-1.6) USER MOD Single : A 81 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.36) USER MOD Single : A 89 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.8!) USER MOD Single : A 95 GLN : amide:sc= -1.88 K(o=-1.9,f=-2.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.178 -6.912 2.689 1.00 0.00 N ATOM 206 CA HIS A 17 4.979 -6.215 3.681 1.00 0.00 C ATOM 207 C HIS A 17 4.392 -4.824 3.929 1.00 0.00 C ATOM 208 O HIS A 17 4.158 -4.068 2.987 1.00 0.00 O ATOM 209 CB HIS A 17 6.449 -6.172 3.260 1.00 0.00 C ATOM 210 CG HIS A 17 6.659 -6.147 1.765 1.00 0.00 C ATOM 211 ND1 HIS A 17 6.672 -7.294 0.991 1.00 0.00 N ATOM 212 CD2 HIS A 17 6.864 -5.104 0.911 1.00 0.00 C ATOM 213 CE1 HIS A 17 6.877 -6.945 -0.271 1.00 0.00 C ATOM 214 NE2 HIS A 17 6.996 -5.587 -0.318 1.00 0.00 N ATOM 0 HA HIS A 17 4.948 -6.758 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.916 -5.289 3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.960 -7.041 3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.911 -4.061 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.939 -7.617 -1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.160 -5.034 -1.159 1.00 0.00 H new ATOM 222 N VAL A 18 4.172 -4.528 5.202 1.00 0.00 N ATOM 223 CA VAL A 18 3.617 -3.241 5.585 1.00 0.00 C ATOM 224 C VAL A 18 4.745 -2.212 5.682 1.00 0.00 C ATOM 225 O VAL A 18 5.883 -2.561 5.995 1.00 0.00 O ATOM 226 CB VAL A 18 2.822 -3.380 6.885 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.392 -2.010 7.414 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.613 -4.298 6.693 1.00 0.00 C ATOM 0 H VAL A 18 4.368 -5.157 5.981 1.00 0.00 H new ATOM 0 HA VAL A 18 2.918 -2.886 4.828 1.00 0.00 H new ATOM 0 HB VAL A 18 3.474 -3.837 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.829 -2.137 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.275 -1.401 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.765 -1.514 6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.065 -4.380 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.959 -3.883 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.952 -5.287 6.384 1.00 0.00 H new ATOM 238 N THR A 19 4.392 -0.965 5.406 1.00 0.00 N ATOM 239 CA THR A 19 5.361 0.116 5.458 1.00 0.00 C ATOM 240 C THR A 19 4.813 1.283 6.282 1.00 0.00 C ATOM 241 O THR A 19 3.702 1.751 6.041 1.00 0.00 O ATOM 242 CB THR A 19 5.716 0.502 4.021 1.00 0.00 C ATOM 243 OG1 THR A 19 6.935 -0.192 3.767 1.00 0.00 O ATOM 244 CG2 THR A 19 6.093 1.979 3.887 1.00 0.00 C ATOM 0 H THR A 19 3.448 -0.679 5.146 1.00 0.00 H new ATOM 0 HA THR A 19 6.276 -0.196 5.962 1.00 0.00 H new ATOM 0 HB THR A 19 4.872 0.283 3.367 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.834 -1.134 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.336 2.200 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.254 2.599 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.958 2.192 4.515 1.00 0.00 H new ATOM 252 N ILE A 20 5.620 1.719 7.239 1.00 0.00 N ATOM 253 CA ILE A 20 5.230 2.823 8.101 1.00 0.00 C ATOM 254 C ILE A 20 6.110 4.037 7.796 1.00 0.00 C ATOM 255 O ILE A 20 7.293 4.050 8.130 1.00 0.00 O ATOM 256 CB ILE A 20 5.262 2.393 9.569 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.080 1.480 9.899 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.323 3.610 10.495 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.756 2.129 9.493 1.00 0.00 C ATOM 0 H ILE A 20 6.541 1.328 7.436 1.00 0.00 H new ATOM 0 HA ILE A 20 4.200 3.117 7.902 1.00 0.00 H new ATOM 0 HB ILE A 20 6.171 1.815 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.196 0.528 9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.070 1.263 10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.345 3.277 11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.223 4.186 10.280 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.445 4.235 10.333 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.932 1.459 9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.632 3.069 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.759 2.322 8.420 1.00 0.00 H new ATOM 271 N LEU A 21 5.497 5.028 7.165 1.00 0.00 N ATOM 272 CA LEU A 21 6.209 6.244 6.811 1.00 0.00 C ATOM 273 C LEU A 21 6.016 7.283 7.917 1.00 0.00 C ATOM 274 O LEU A 21 4.909 7.456 8.424 1.00 0.00 O ATOM 275 CB LEU A 21 5.780 6.733 5.426 1.00 0.00 C ATOM 276 CG LEU A 21 6.239 5.880 4.242 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.480 5.062 4.603 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.100 4.997 3.728 1.00 0.00 C ATOM 0 H LEU A 21 4.515 5.013 6.890 1.00 0.00 H new ATOM 0 HA LEU A 21 7.279 6.051 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.692 6.793 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.158 7.746 5.287 1.00 0.00 H new ATOM 0 HG LEU A 21 6.520 6.549 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.785 4.465 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.290 5.735 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.250 4.402 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.453 4.401 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.764 4.335 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.270 5.625 3.405 1.00 0.00 H new ATOM 290 N HIS A 22 7.110 7.947 8.259 1.00 0.00 N ATOM 291 CA HIS A 22 7.075 8.965 9.295 1.00 0.00 C ATOM 292 C HIS A 22 7.422 10.326 8.690 1.00 0.00 C ATOM 293 O HIS A 22 8.579 10.587 8.361 1.00 0.00 O ATOM 294 CB HIS A 22 7.989 8.584 10.462 1.00 0.00 C ATOM 295 CG HIS A 22 7.926 7.123 10.840 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.111 6.645 11.851 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.584 6.042 10.331 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.279 5.334 11.939 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.193 4.962 10.997 1.00 0.00 N ATOM 0 H HIS A 22 8.027 7.800 7.837 1.00 0.00 H new ATOM 0 HA HIS A 22 6.068 9.036 9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.017 8.838 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.722 9.185 11.331 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.301 6.061 9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.780 4.675 12.634 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.522 4.011 10.832 1.00 0.00 H new ATOM 307 N LYS A 23 6.400 11.159 8.561 1.00 0.00 N ATOM 308 CA LYS A 23 6.582 12.487 8.001 1.00 0.00 C ATOM 309 C LYS A 23 5.838 13.507 8.866 1.00 0.00 C ATOM 310 O LYS A 23 5.002 13.136 9.689 1.00 0.00 O ATOM 311 CB LYS A 23 6.167 12.510 6.529 1.00 0.00 C ATOM 312 CG LYS A 23 4.643 12.525 6.389 1.00 0.00 C ATOM 313 CD LYS A 23 4.125 11.179 5.880 1.00 0.00 C ATOM 314 CE LYS A 23 2.624 11.036 6.139 1.00 0.00 C ATOM 315 NZ LYS A 23 1.933 12.325 5.912 1.00 0.00 N ATOM 0 H LYS A 23 5.442 10.940 8.835 1.00 0.00 H new ATOM 0 HA LYS A 23 7.636 12.765 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.589 13.389 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.574 11.637 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.188 12.753 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.345 13.317 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.324 11.089 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.662 10.369 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.207 10.273 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.456 10.702 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.914 12.156 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.085 12.949 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.314 12.777 5.056 1.00 0.00 H new ATOM 329 N GLU A 24 6.169 14.772 8.650 1.00 0.00 N ATOM 330 CA GLU A 24 5.542 15.847 9.399 1.00 0.00 C ATOM 331 C GLU A 24 4.150 16.145 8.838 1.00 0.00 C ATOM 332 O GLU A 24 3.827 15.740 7.722 1.00 0.00 O ATOM 333 CB GLU A 24 6.416 17.103 9.390 1.00 0.00 C ATOM 334 CG GLU A 24 7.696 16.886 10.201 1.00 0.00 C ATOM 335 CD GLU A 24 7.831 15.423 10.630 1.00 0.00 C ATOM 336 OE1 GLU A 24 7.314 15.103 11.722 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.448 14.659 9.857 1.00 0.00 O ATOM 0 H GLU A 24 6.863 15.076 7.967 1.00 0.00 H new ATOM 0 HA GLU A 24 5.433 15.526 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.672 17.365 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.857 17.942 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.562 17.176 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.686 17.528 11.082 1.00 0.00 H new ATOM 344 N GLU A 25 3.363 16.849 9.637 1.00 0.00 N ATOM 345 CA GLU A 25 2.013 17.206 9.234 1.00 0.00 C ATOM 346 C GLU A 25 2.026 17.853 7.848 1.00 0.00 C ATOM 347 O GLU A 25 2.446 19.000 7.698 1.00 0.00 O ATOM 348 CB GLU A 25 1.359 18.129 10.264 1.00 0.00 C ATOM 349 CG GLU A 25 0.513 17.329 11.257 1.00 0.00 C ATOM 350 CD GLU A 25 0.477 18.017 12.624 1.00 0.00 C ATOM 351 OE1 GLU A 25 0.352 19.261 12.630 1.00 0.00 O ATOM 352 OE2 GLU A 25 0.575 17.283 13.631 1.00 0.00 O ATOM 0 H GLU A 25 3.634 17.182 10.562 1.00 0.00 H new ATOM 0 HA GLU A 25 1.418 16.294 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.128 18.684 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.733 18.862 9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.501 17.222 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.922 16.324 11.362 1.00 0.00 H new ATOM 359 N GLY A 26 1.562 17.090 6.869 1.00 0.00 N ATOM 360 CA GLY A 26 1.516 17.575 5.500 1.00 0.00 C ATOM 361 C GLY A 26 2.889 17.471 4.834 1.00 0.00 C ATOM 362 O GLY A 26 3.176 18.191 3.879 1.00 0.00 O ATOM 0 H GLY A 26 1.215 16.140 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.787 16.998 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.180 18.612 5.489 1.00 0.00 H new ATOM 366 N ALA A 27 3.701 16.568 5.364 1.00 0.00 N ATOM 367 CA ALA A 27 5.038 16.360 4.833 1.00 0.00 C ATOM 368 C ALA A 27 4.949 15.533 3.549 1.00 0.00 C ATOM 369 O ALA A 27 5.749 15.715 2.633 1.00 0.00 O ATOM 370 CB ALA A 27 5.912 15.693 5.897 1.00 0.00 C ATOM 0 H ALA A 27 3.459 15.972 6.156 1.00 0.00 H new ATOM 0 HA ALA A 27 5.503 17.313 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.915 15.537 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.967 16.334 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.478 14.732 6.174 1.00 0.00 H new ATOM 376 N GLY A 28 3.968 14.642 3.524 1.00 0.00 N ATOM 377 CA GLY A 28 3.764 13.786 2.368 1.00 0.00 C ATOM 378 C GLY A 28 4.491 12.451 2.539 1.00 0.00 C ATOM 379 O GLY A 28 5.389 12.331 3.371 1.00 0.00 O ATOM 0 H GLY A 28 3.306 14.495 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.698 13.608 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.125 14.288 1.471 1.00 0.00 H new ATOM 383 N LEU A 29 4.074 11.480 1.739 1.00 0.00 N ATOM 384 CA LEU A 29 4.674 10.158 1.791 1.00 0.00 C ATOM 385 C LEU A 29 5.943 10.144 0.937 1.00 0.00 C ATOM 386 O LEU A 29 6.934 9.513 1.301 1.00 0.00 O ATOM 387 CB LEU A 29 3.653 9.090 1.393 1.00 0.00 C ATOM 388 CG LEU A 29 2.186 9.433 1.660 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.270 8.277 1.251 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.975 9.844 3.118 1.00 0.00 C ATOM 0 H LEU A 29 3.328 11.583 1.051 1.00 0.00 H new ATOM 0 HA LEU A 29 4.973 9.916 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.769 8.883 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.893 8.170 1.925 1.00 0.00 H new ATOM 0 HG LEU A 29 1.918 10.290 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.233 8.546 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.393 8.074 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.530 7.386 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.924 10.082 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.266 9.023 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.584 10.720 3.341 1.00 0.00 H new ATOM 402 N GLY A 30 5.871 10.847 -0.184 1.00 0.00 N ATOM 403 CA GLY A 30 7.002 10.923 -1.093 1.00 0.00 C ATOM 404 C GLY A 30 6.658 10.305 -2.450 1.00 0.00 C ATOM 405 O GLY A 30 7.496 10.266 -3.349 1.00 0.00 O ATOM 0 H GLY A 30 5.047 11.369 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.296 11.964 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.857 10.404 -0.659 1.00 0.00 H new ATOM 409 N PHE A 31 5.422 9.838 -2.555 1.00 0.00 N ATOM 410 CA PHE A 31 4.956 9.224 -3.787 1.00 0.00 C ATOM 411 C PHE A 31 3.475 9.525 -4.023 1.00 0.00 C ATOM 412 O PHE A 31 2.799 10.061 -3.146 1.00 0.00 O ATOM 413 CB PHE A 31 5.139 7.713 -3.630 1.00 0.00 C ATOM 414 CG PHE A 31 4.076 7.045 -2.756 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.105 7.209 -1.406 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.103 6.287 -3.329 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.118 6.589 -0.595 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.117 5.666 -2.517 1.00 0.00 C ATOM 419 CZ PHE A 31 2.145 5.830 -1.167 1.00 0.00 C ATOM 0 H PHE A 31 4.729 9.873 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 31 5.518 9.616 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.126 7.251 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.122 7.519 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.878 7.810 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.080 6.157 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.140 6.720 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.345 5.063 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.395 5.358 -0.550 1.00 0.00 H new ATOM 429 N SER A 32 3.014 9.167 -5.212 1.00 0.00 N ATOM 430 CA SER A 32 1.625 9.392 -5.575 1.00 0.00 C ATOM 431 C SER A 32 0.987 8.081 -6.041 1.00 0.00 C ATOM 432 O SER A 32 1.673 7.071 -6.191 1.00 0.00 O ATOM 433 CB SER A 32 1.506 10.457 -6.666 1.00 0.00 C ATOM 434 OG SER A 32 0.847 9.960 -7.828 1.00 0.00 O ATOM 0 H SER A 32 3.578 8.723 -5.937 1.00 0.00 H new ATOM 0 HA SER A 32 1.096 9.753 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.957 11.315 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.501 10.811 -6.937 1.00 0.00 H new ATOM 0 HG SER A 32 0.789 10.671 -8.500 1.00 0.00 H new ATOM 440 N LEU A 33 -0.319 8.140 -6.256 1.00 0.00 N ATOM 441 CA LEU A 33 -1.057 6.970 -6.702 1.00 0.00 C ATOM 442 C LEU A 33 -1.278 7.057 -8.213 1.00 0.00 C ATOM 443 O LEU A 33 -1.263 8.146 -8.785 1.00 0.00 O ATOM 444 CB LEU A 33 -2.351 6.815 -5.899 1.00 0.00 C ATOM 445 CG LEU A 33 -2.183 6.515 -4.408 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.363 5.699 -3.878 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.843 5.830 -4.134 1.00 0.00 C ATOM 0 H LEU A 33 -0.885 8.979 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.482 6.063 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.931 7.732 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.939 6.014 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.177 7.461 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.219 5.499 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.287 6.260 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.425 4.755 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.749 5.628 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.794 4.892 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.029 6.482 -4.453 1.00 0.00 H new ATOM 459 N ALA A 34 -1.478 5.895 -8.818 1.00 0.00 N ATOM 460 CA ALA A 34 -1.702 5.826 -10.252 1.00 0.00 C ATOM 461 C ALA A 34 -2.746 4.749 -10.550 1.00 0.00 C ATOM 462 O ALA A 34 -2.869 3.776 -9.807 1.00 0.00 O ATOM 463 CB ALA A 34 -0.373 5.563 -10.964 1.00 0.00 C ATOM 0 H ALA A 34 -1.490 4.994 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.091 6.773 -10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.541 5.511 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.324 6.372 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.046 4.619 -10.616 1.00 0.00 H new ATOM 469 N GLY A 35 -3.472 4.958 -11.638 1.00 0.00 N ATOM 470 CA GLY A 35 -4.502 4.017 -12.043 1.00 0.00 C ATOM 471 C GLY A 35 -5.804 4.267 -11.279 1.00 0.00 C ATOM 472 O GLY A 35 -5.864 5.141 -10.416 1.00 0.00 O ATOM 0 H GLY A 35 -3.367 5.766 -12.252 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.682 4.108 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.160 2.998 -11.862 1.00 0.00 H new ATOM 476 N GLY A 36 -6.815 3.483 -11.625 1.00 0.00 N ATOM 477 CA GLY A 36 -8.112 3.608 -10.982 1.00 0.00 C ATOM 478 C GLY A 36 -9.106 2.594 -11.552 1.00 0.00 C ATOM 479 O GLY A 36 -8.768 1.826 -12.452 1.00 0.00 O ATOM 0 H GLY A 36 -6.762 2.759 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.006 3.455 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.496 4.618 -11.123 1.00 0.00 H new ATOM 483 N ALA A 37 -10.312 2.623 -11.004 1.00 0.00 N ATOM 484 CA ALA A 37 -11.358 1.716 -11.447 1.00 0.00 C ATOM 485 C ALA A 37 -11.783 2.089 -12.869 1.00 0.00 C ATOM 486 O ALA A 37 -11.952 1.217 -13.719 1.00 0.00 O ATOM 487 CB ALA A 37 -12.525 1.761 -10.459 1.00 0.00 C ATOM 0 H ALA A 37 -10.588 3.260 -10.257 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.991 0.690 -11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.309 1.081 -10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.177 1.459 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.921 2.775 -10.410 1.00 0.00 H new ATOM 493 N ASP A 38 -11.942 3.387 -13.083 1.00 0.00 N ATOM 494 CA ASP A 38 -12.344 3.886 -14.387 1.00 0.00 C ATOM 495 C ASP A 38 -11.170 3.761 -15.360 1.00 0.00 C ATOM 496 O ASP A 38 -11.368 3.697 -16.572 1.00 0.00 O ATOM 497 CB ASP A 38 -12.742 5.362 -14.313 1.00 0.00 C ATOM 498 CG ASP A 38 -13.280 5.952 -15.618 1.00 0.00 C ATOM 499 OD1 ASP A 38 -13.324 5.192 -16.609 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.635 7.151 -15.594 1.00 0.00 O ATOM 0 H ASP A 38 -11.800 4.108 -12.376 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.198 3.299 -14.725 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.500 5.480 -13.539 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.874 5.942 -14.000 1.00 0.00 H new ATOM 505 N LEU A 39 -9.973 3.731 -14.793 1.00 0.00 N ATOM 506 CA LEU A 39 -8.768 3.615 -15.595 1.00 0.00 C ATOM 507 C LEU A 39 -8.607 2.166 -16.060 1.00 0.00 C ATOM 508 O LEU A 39 -9.364 1.290 -15.646 1.00 0.00 O ATOM 509 CB LEU A 39 -7.559 4.152 -14.826 1.00 0.00 C ATOM 510 CG LEU A 39 -7.491 5.671 -14.658 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.714 6.194 -13.901 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.181 6.091 -13.989 1.00 0.00 C ATOM 0 H LEU A 39 -9.812 3.785 -13.787 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.846 4.231 -16.491 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.552 3.696 -13.836 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.654 3.822 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.506 6.125 -15.649 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.641 7.276 -13.795 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.619 5.944 -14.455 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.754 5.735 -12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.159 7.175 -13.882 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.110 5.627 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.340 5.770 -14.603 1.00 0.00 H new ATOM 524 N GLU A 40 -7.615 1.959 -16.913 1.00 0.00 N ATOM 525 CA GLU A 40 -7.345 0.631 -17.439 1.00 0.00 C ATOM 526 C GLU A 40 -6.921 -0.310 -16.310 1.00 0.00 C ATOM 527 O GLU A 40 -7.304 -1.479 -16.295 1.00 0.00 O ATOM 528 CB GLU A 40 -6.283 0.682 -18.539 1.00 0.00 C ATOM 529 CG GLU A 40 -6.881 1.183 -19.855 1.00 0.00 C ATOM 530 CD GLU A 40 -6.312 0.409 -21.046 1.00 0.00 C ATOM 531 OE1 GLU A 40 -5.102 0.101 -20.997 1.00 0.00 O ATOM 532 OE2 GLU A 40 -7.101 0.141 -21.978 1.00 0.00 O ATOM 0 H GLU A 40 -6.988 2.688 -17.253 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.262 0.244 -17.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.468 1.338 -18.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.856 -0.310 -18.684 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.965 1.074 -19.831 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.670 2.246 -19.973 1.00 0.00 H new ATOM 539 N ASN A 41 -6.135 0.234 -15.393 1.00 0.00 N ATOM 540 CA ASN A 41 -5.654 -0.542 -14.263 1.00 0.00 C ATOM 541 C ASN A 41 -6.626 -0.385 -13.091 1.00 0.00 C ATOM 542 O ASN A 41 -6.666 0.663 -12.450 1.00 0.00 O ATOM 543 CB ASN A 41 -4.278 -0.055 -13.805 1.00 0.00 C ATOM 544 CG ASN A 41 -4.223 1.474 -13.767 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.220 2.161 -13.914 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.004 1.966 -13.562 1.00 0.00 N ATOM 0 H ASN A 41 -5.819 1.204 -15.410 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.581 -1.584 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.057 -0.455 -12.815 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.511 -0.434 -14.480 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.862 2.975 -13.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.212 1.334 -13.447 1.00 0.00 H new ATOM 553 N LYS A 42 -7.385 -1.444 -12.847 1.00 0.00 N ATOM 554 CA LYS A 42 -8.353 -1.436 -11.764 1.00 0.00 C ATOM 555 C LYS A 42 -7.633 -1.160 -10.443 1.00 0.00 C ATOM 556 O LYS A 42 -8.086 -0.342 -9.644 1.00 0.00 O ATOM 557 CB LYS A 42 -9.165 -2.734 -11.762 1.00 0.00 C ATOM 558 CG LYS A 42 -10.122 -2.784 -12.955 1.00 0.00 C ATOM 559 CD LYS A 42 -11.360 -1.922 -12.700 1.00 0.00 C ATOM 560 CE LYS A 42 -12.397 -2.111 -13.810 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.542 -3.545 -14.144 1.00 0.00 N ATOM 0 H LYS A 42 -7.349 -2.312 -13.381 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.077 -0.633 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.490 -3.589 -11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.731 -2.812 -10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.610 -2.435 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.424 -3.815 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.799 -2.186 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.071 -0.873 -12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.358 -1.707 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.095 -1.554 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.434 -3.693 -14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.745 -3.845 -14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.549 -4.106 -13.269 1.00 0.00 H new ATOM 575 N VAL A 43 -6.522 -1.857 -10.255 1.00 0.00 N ATOM 576 CA VAL A 43 -5.734 -1.697 -9.044 1.00 0.00 C ATOM 577 C VAL A 43 -4.834 -0.468 -9.186 1.00 0.00 C ATOM 578 O VAL A 43 -4.228 -0.256 -10.235 1.00 0.00 O ATOM 579 CB VAL A 43 -4.953 -2.980 -8.755 1.00 0.00 C ATOM 580 CG1 VAL A 43 -3.902 -3.238 -9.837 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.310 -2.929 -7.367 1.00 0.00 C ATOM 0 H VAL A 43 -6.149 -2.534 -10.921 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.383 -1.527 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.658 -3.811 -8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.361 -4.156 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.393 -3.339 -10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.202 -2.403 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.761 -3.853 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.624 -2.083 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.086 -2.814 -6.610 1.00 0.00 H new ATOM 591 N ILE A 44 -4.775 0.310 -8.114 1.00 0.00 N ATOM 592 CA ILE A 44 -3.959 1.512 -8.106 1.00 0.00 C ATOM 593 C ILE A 44 -2.498 1.129 -7.865 1.00 0.00 C ATOM 594 O ILE A 44 -2.208 0.243 -7.063 1.00 0.00 O ATOM 595 CB ILE A 44 -4.505 2.523 -7.095 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.726 3.255 -7.657 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.411 3.493 -6.645 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.901 2.295 -7.848 1.00 0.00 C ATOM 0 H ILE A 44 -5.279 0.131 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.003 2.009 -9.075 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.835 1.978 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.015 4.059 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.470 3.717 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.825 4.201 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.600 2.935 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.028 4.035 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.755 2.841 -8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.616 1.506 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.170 1.853 -6.888 1.00 0.00 H new ATOM 610 N THR A 45 -1.615 1.817 -8.575 1.00 0.00 N ATOM 611 CA THR A 45 -0.190 1.560 -8.448 1.00 0.00 C ATOM 612 C THR A 45 0.557 2.854 -8.118 1.00 0.00 C ATOM 613 O THR A 45 -0.013 3.941 -8.193 1.00 0.00 O ATOM 614 CB THR A 45 0.287 0.895 -9.741 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.482 1.527 -10.761 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.119 -0.577 -9.826 1.00 0.00 C ATOM 0 H THR A 45 -1.859 2.551 -9.240 1.00 0.00 H new ATOM 0 HA THR A 45 0.018 0.881 -7.621 1.00 0.00 H new ATOM 0 HB THR A 45 1.372 0.977 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.235 1.156 -11.634 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.244 -1.001 -10.762 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.315 -1.123 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.205 -0.658 -9.788 1.00 0.00 H new ATOM 624 N VAL A 46 1.823 2.693 -7.760 1.00 0.00 N ATOM 625 CA VAL A 46 2.654 3.835 -7.419 1.00 0.00 C ATOM 626 C VAL A 46 2.993 4.613 -8.692 1.00 0.00 C ATOM 627 O VAL A 46 3.873 4.213 -9.453 1.00 0.00 O ATOM 628 CB VAL A 46 3.896 3.368 -6.656 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.733 4.561 -6.190 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.510 2.475 -5.475 1.00 0.00 C ATOM 0 H VAL A 46 2.293 1.790 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 46 2.117 4.514 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 46 4.506 2.776 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.609 4.202 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.052 5.142 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.134 5.190 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.411 2.157 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.869 3.032 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.975 1.599 -5.841 1.00 0.00 H new ATOM 640 N HIS A 47 2.277 5.711 -8.884 1.00 0.00 N ATOM 641 CA HIS A 47 2.490 6.548 -10.052 1.00 0.00 C ATOM 642 C HIS A 47 3.965 6.948 -10.134 1.00 0.00 C ATOM 643 O HIS A 47 4.648 6.618 -11.102 1.00 0.00 O ATOM 644 CB HIS A 47 1.549 7.754 -10.035 1.00 0.00 C ATOM 645 CG HIS A 47 1.477 8.496 -11.349 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.533 9.475 -11.606 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.241 8.392 -12.474 1.00 0.00 C ATOM 648 CE1 HIS A 47 0.730 9.932 -12.834 1.00 0.00 C ATOM 649 NE2 HIS A 47 1.788 9.260 -13.370 1.00 0.00 N ATOM 0 H HIS A 47 1.549 6.040 -8.250 1.00 0.00 H new ATOM 0 HA HIS A 47 2.250 5.987 -10.955 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.548 7.417 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.874 8.445 -9.257 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.073 7.718 -12.612 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.153 10.702 -13.324 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.169 9.401 -14.306 1.00 0.00 H new ATOM 657 N ARG A 48 4.411 7.654 -9.106 1.00 0.00 N ATOM 658 CA ARG A 48 5.792 8.103 -9.049 1.00 0.00 C ATOM 659 C ARG A 48 6.264 8.186 -7.596 1.00 0.00 C ATOM 660 O ARG A 48 5.454 8.350 -6.685 1.00 0.00 O ATOM 661 CB ARG A 48 5.954 9.473 -9.710 1.00 0.00 C ATOM 662 CG ARG A 48 6.716 9.358 -11.032 1.00 0.00 C ATOM 663 CD ARG A 48 5.759 9.422 -12.224 1.00 0.00 C ATOM 664 NE ARG A 48 6.525 9.390 -13.490 1.00 0.00 N ATOM 665 CZ ARG A 48 7.291 10.398 -13.930 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.397 11.523 -13.210 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.950 10.282 -15.091 1.00 0.00 N ATOM 0 H ARG A 48 3.841 7.926 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 48 6.399 7.377 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.973 9.913 -9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.486 10.145 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.448 10.162 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.270 8.420 -11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.064 8.583 -12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.162 10.333 -12.173 1.00 0.00 H new ATOM 0 HE ARG A 48 6.466 8.548 -14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.895 11.612 -12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.980 12.290 -13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.869 9.426 -15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.533 11.049 -15.425 1.00 0.00 H new ATOM 681 N VAL A 49 7.573 8.069 -7.425 1.00 0.00 N ATOM 682 CA VAL A 49 8.162 8.130 -6.098 1.00 0.00 C ATOM 683 C VAL A 49 9.164 9.284 -6.042 1.00 0.00 C ATOM 684 O VAL A 49 10.315 9.133 -6.450 1.00 0.00 O ATOM 685 CB VAL A 49 8.786 6.779 -5.741 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.193 6.736 -4.267 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.836 5.629 -6.082 1.00 0.00 C ATOM 0 H VAL A 49 8.242 7.932 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 49 7.396 8.328 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 49 9.688 6.657 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.634 5.765 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.922 7.521 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.313 6.891 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.304 4.680 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.909 5.745 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.618 5.642 -7.150 1.00 0.00 H new ATOM 697 N PHE A 50 8.691 10.412 -5.533 1.00 0.00 N ATOM 698 CA PHE A 50 9.531 11.592 -5.418 1.00 0.00 C ATOM 699 C PHE A 50 10.956 11.213 -5.011 1.00 0.00 C ATOM 700 O PHE A 50 11.171 10.180 -4.379 1.00 0.00 O ATOM 701 CB PHE A 50 8.919 12.472 -4.326 1.00 0.00 C ATOM 702 CG PHE A 50 7.448 12.821 -4.560 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.867 12.553 -5.760 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.720 13.400 -3.567 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.502 12.876 -5.977 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.354 13.724 -3.784 1.00 0.00 C ATOM 707 CZ PHE A 50 4.774 13.455 -4.984 1.00 0.00 C ATOM 0 H PHE A 50 7.736 10.534 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 50 9.581 12.108 -6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.013 11.962 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.494 13.395 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.445 12.094 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.181 13.613 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.041 12.662 -6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.776 14.184 -2.996 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.735 13.701 -5.149 1.00 0.00 H new ATOM 717 N PRO A 51 11.918 12.092 -5.402 1.00 0.00 N ATOM 718 CA PRO A 51 13.317 11.860 -5.085 1.00 0.00 C ATOM 719 C PRO A 51 13.601 12.151 -3.610 1.00 0.00 C ATOM 720 O PRO A 51 14.502 11.558 -3.019 1.00 0.00 O ATOM 721 CB PRO A 51 14.090 12.766 -6.029 1.00 0.00 C ATOM 722 CG PRO A 51 13.095 13.809 -6.513 1.00 0.00 C ATOM 723 CD PRO A 51 11.700 13.325 -6.152 1.00 0.00 C ATOM 0 HA PRO A 51 13.612 10.820 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.931 13.236 -5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.500 12.200 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.297 14.774 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.183 13.950 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.167 14.064 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.100 13.145 -7.044 1.00 0.00 H new ATOM 731 N ASN A 52 12.814 13.063 -3.058 1.00 0.00 N ATOM 732 CA ASN A 52 12.970 13.440 -1.663 1.00 0.00 C ATOM 733 C ASN A 52 11.696 13.079 -0.897 1.00 0.00 C ATOM 734 O ASN A 52 10.804 13.912 -0.741 1.00 0.00 O ATOM 735 CB ASN A 52 13.196 14.947 -1.522 1.00 0.00 C ATOM 736 CG ASN A 52 14.509 15.369 -2.183 1.00 0.00 C ATOM 737 OD1 ASN A 52 14.535 16.103 -3.157 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.594 14.864 -1.602 1.00 0.00 N ATOM 0 H ASN A 52 12.067 13.552 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 52 13.833 12.907 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.366 15.487 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.212 15.219 -0.467 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.519 15.085 -1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.501 14.256 -0.789 1.00 0.00 H new ATOM 745 N GLY A 53 11.651 11.836 -0.439 1.00 0.00 N ATOM 746 CA GLY A 53 10.501 11.355 0.307 1.00 0.00 C ATOM 747 C GLY A 53 10.846 10.086 1.089 1.00 0.00 C ATOM 748 O GLY A 53 12.001 9.663 1.113 1.00 0.00 O ATOM 0 H GLY A 53 12.392 11.148 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.160 12.129 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.678 11.152 -0.378 1.00 0.00 H new ATOM 752 N LEU A 54 9.824 9.514 1.709 1.00 0.00 N ATOM 753 CA LEU A 54 10.006 8.302 2.489 1.00 0.00 C ATOM 754 C LEU A 54 9.804 7.084 1.586 1.00 0.00 C ATOM 755 O LEU A 54 10.670 6.214 1.508 1.00 0.00 O ATOM 756 CB LEU A 54 9.094 8.314 3.718 1.00 0.00 C ATOM 757 CG LEU A 54 8.920 9.668 4.410 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.830 9.599 5.482 1.00 0.00 C ATOM 759 CD2 LEU A 54 10.250 10.169 4.976 1.00 0.00 C ATOM 0 H LEU A 54 8.867 9.868 1.687 1.00 0.00 H new ATOM 0 HA LEU A 54 11.024 8.247 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.110 7.952 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.488 7.604 4.445 1.00 0.00 H new ATOM 0 HG LEU A 54 8.594 10.394 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.726 10.574 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.883 9.318 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.103 8.856 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.099 11.133 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.629 9.451 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.971 10.281 4.166 1.00 0.00 H new ATOM 771 N ALA A 55 8.655 7.061 0.925 1.00 0.00 N ATOM 772 CA ALA A 55 8.329 5.964 0.030 1.00 0.00 C ATOM 773 C ALA A 55 9.526 5.679 -0.879 1.00 0.00 C ATOM 774 O ALA A 55 9.691 4.560 -1.362 1.00 0.00 O ATOM 775 CB ALA A 55 7.065 6.309 -0.760 1.00 0.00 C ATOM 0 H ALA A 55 7.939 7.784 0.992 1.00 0.00 H new ATOM 0 HA ALA A 55 8.122 5.055 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.820 5.486 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.238 6.472 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.236 7.214 -1.342 1.00 0.00 H new ATOM 781 N SER A 56 10.331 6.712 -1.084 1.00 0.00 N ATOM 782 CA SER A 56 11.508 6.587 -1.927 1.00 0.00 C ATOM 783 C SER A 56 12.703 6.126 -1.091 1.00 0.00 C ATOM 784 O SER A 56 13.545 5.367 -1.570 1.00 0.00 O ATOM 785 CB SER A 56 11.828 7.909 -2.626 1.00 0.00 C ATOM 786 OG SER A 56 10.843 8.905 -2.362 1.00 0.00 O ATOM 0 H SER A 56 10.191 7.639 -0.681 1.00 0.00 H new ATOM 0 HA SER A 56 11.301 5.842 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.803 8.267 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.897 7.743 -3.701 1.00 0.00 H new ATOM 0 HG SER A 56 10.651 9.401 -3.185 1.00 0.00 H new ATOM 792 N GLN A 57 12.740 6.603 0.145 1.00 0.00 N ATOM 793 CA GLN A 57 13.819 6.249 1.052 1.00 0.00 C ATOM 794 C GLN A 57 13.645 4.813 1.548 1.00 0.00 C ATOM 795 O GLN A 57 14.614 4.061 1.635 1.00 0.00 O ATOM 796 CB GLN A 57 13.893 7.230 2.224 1.00 0.00 C ATOM 797 CG GLN A 57 14.808 8.410 1.895 1.00 0.00 C ATOM 798 CD GLN A 57 15.794 8.675 3.035 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.586 9.525 3.885 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.875 7.901 3.005 1.00 0.00 N ATOM 0 H GLN A 57 12.040 7.232 0.539 1.00 0.00 H new ATOM 0 HA GLN A 57 14.761 6.312 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.894 7.595 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.262 6.715 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.356 8.204 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.207 9.301 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.986 7.209 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.593 8.000 3.723 1.00 0.00 H new ATOM 809 N GLU A 58 12.402 4.475 1.861 1.00 0.00 N ATOM 810 CA GLU A 58 12.089 3.142 2.347 1.00 0.00 C ATOM 811 C GLU A 58 12.544 2.088 1.335 1.00 0.00 C ATOM 812 O GLU A 58 13.217 1.124 1.698 1.00 0.00 O ATOM 813 CB GLU A 58 10.595 3.004 2.648 1.00 0.00 C ATOM 814 CG GLU A 58 10.309 1.720 3.428 1.00 0.00 C ATOM 815 CD GLU A 58 10.568 1.917 4.923 1.00 0.00 C ATOM 816 OE1 GLU A 58 9.988 2.875 5.478 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.341 1.106 5.476 1.00 0.00 O ATOM 0 H GLU A 58 11.600 5.101 1.787 1.00 0.00 H new ATOM 0 HA GLU A 58 12.630 2.980 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.255 3.866 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.031 3.000 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.273 1.418 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.937 0.913 3.050 1.00 0.00 H new ATOM 824 N GLY A 59 12.159 2.307 0.087 1.00 0.00 N ATOM 825 CA GLY A 59 12.519 1.388 -0.980 1.00 0.00 C ATOM 826 C GLY A 59 11.440 0.320 -1.170 1.00 0.00 C ATOM 827 O GLY A 59 11.574 -0.557 -2.022 1.00 0.00 O ATOM 0 H GLY A 59 11.601 3.108 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.657 1.940 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.471 0.911 -0.748 1.00 0.00 H new ATOM 831 N THR A 60 10.395 0.428 -0.362 1.00 0.00 N ATOM 832 CA THR A 60 9.295 -0.518 -0.431 1.00 0.00 C ATOM 833 C THR A 60 8.300 -0.101 -1.516 1.00 0.00 C ATOM 834 O THR A 60 7.893 -0.921 -2.338 1.00 0.00 O ATOM 835 CB THR A 60 8.668 -0.616 0.962 1.00 0.00 C ATOM 836 OG1 THR A 60 9.428 -1.630 1.613 1.00 0.00 O ATOM 837 CG2 THR A 60 7.247 -1.181 0.926 1.00 0.00 C ATOM 0 H THR A 60 10.287 1.157 0.344 1.00 0.00 H new ATOM 0 HA THR A 60 9.644 -1.510 -0.718 1.00 0.00 H new ATOM 0 HB THR A 60 8.654 0.371 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.090 -1.758 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.849 -1.229 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.614 -0.535 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.264 -2.182 0.495 1.00 0.00 H new ATOM 845 N ILE A 61 7.938 1.173 -1.484 1.00 0.00 N ATOM 846 CA ILE A 61 6.999 1.709 -2.455 1.00 0.00 C ATOM 847 C ILE A 61 7.771 2.242 -3.664 1.00 0.00 C ATOM 848 O ILE A 61 8.179 3.402 -3.682 1.00 0.00 O ATOM 849 CB ILE A 61 6.086 2.748 -1.801 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.615 2.275 -0.424 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.913 3.102 -2.718 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.701 3.313 0.229 1.00 0.00 C ATOM 0 H ILE A 61 8.278 1.850 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 61 6.338 0.923 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 61 6.662 3.661 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.084 1.328 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.478 2.091 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.280 3.842 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.293 3.511 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.329 2.205 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.380 2.952 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.243 4.251 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.827 3.477 -0.402 1.00 0.00 H new ATOM 864 N GLN A 62 7.947 1.369 -4.645 1.00 0.00 N ATOM 865 CA GLN A 62 8.662 1.737 -5.855 1.00 0.00 C ATOM 866 C GLN A 62 7.683 1.922 -7.016 1.00 0.00 C ATOM 867 O GLN A 62 6.817 1.078 -7.242 1.00 0.00 O ATOM 868 CB GLN A 62 9.730 0.697 -6.199 1.00 0.00 C ATOM 869 CG GLN A 62 10.858 0.707 -5.165 1.00 0.00 C ATOM 870 CD GLN A 62 11.757 -0.521 -5.323 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.867 -0.450 -5.825 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.218 -1.649 -4.868 1.00 0.00 N ATOM 0 H GLN A 62 7.607 0.408 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 62 9.169 2.686 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.278 -0.294 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.137 0.902 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.452 1.614 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.435 0.726 -4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.284 -1.639 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.739 -2.524 -4.928 1.00 0.00 H new ATOM 881 N LYS A 63 7.852 3.031 -7.721 1.00 0.00 N ATOM 882 CA LYS A 63 6.994 3.337 -8.852 1.00 0.00 C ATOM 883 C LYS A 63 6.766 2.065 -9.673 1.00 0.00 C ATOM 884 O LYS A 63 7.709 1.326 -9.953 1.00 0.00 O ATOM 885 CB LYS A 63 7.571 4.498 -9.665 1.00 0.00 C ATOM 886 CG LYS A 63 8.204 3.996 -10.964 1.00 0.00 C ATOM 887 CD LYS A 63 9.162 5.038 -11.545 1.00 0.00 C ATOM 888 CE LYS A 63 8.563 6.443 -11.458 1.00 0.00 C ATOM 889 NZ LYS A 63 9.463 7.431 -12.093 1.00 0.00 N ATOM 0 H LYS A 63 8.571 3.729 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 63 6.017 3.675 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.782 5.214 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.318 5.026 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.742 3.067 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.423 3.770 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.108 5.008 -11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.381 4.796 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.590 6.461 -11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.398 6.710 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.901 8.222 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.138 7.790 -11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.984 6.977 -12.870 1.00 0.00 H new ATOM 903 N GLY A 64 5.510 1.849 -10.034 1.00 0.00 N ATOM 904 CA GLY A 64 5.146 0.680 -10.817 1.00 0.00 C ATOM 905 C GLY A 64 4.541 -0.408 -9.928 1.00 0.00 C ATOM 906 O GLY A 64 3.803 -1.267 -10.407 1.00 0.00 O ATOM 0 H GLY A 64 4.731 2.464 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.431 0.963 -11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.027 0.290 -11.326 1.00 0.00 H new ATOM 910 N ASN A 65 4.876 -0.336 -8.648 1.00 0.00 N ATOM 911 CA ASN A 65 4.375 -1.304 -7.687 1.00 0.00 C ATOM 912 C ASN A 65 2.846 -1.240 -7.655 1.00 0.00 C ATOM 913 O ASN A 65 2.251 -0.292 -8.166 1.00 0.00 O ATOM 914 CB ASN A 65 4.891 -1.002 -6.279 1.00 0.00 C ATOM 915 CG ASN A 65 6.336 -1.475 -6.112 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.218 -0.731 -5.714 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.529 -2.750 -6.437 1.00 0.00 N ATOM 0 H ASN A 65 5.489 0.378 -8.254 1.00 0.00 H new ATOM 0 HA ASN A 65 4.721 -2.292 -7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.831 0.069 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.256 -1.494 -5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.459 -3.161 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.747 -3.317 -6.763 1.00 0.00 H new ATOM 924 N GLU A 66 2.255 -2.259 -7.049 1.00 0.00 N ATOM 925 CA GLU A 66 0.808 -2.329 -6.943 1.00 0.00 C ATOM 926 C GLU A 66 0.359 -1.931 -5.535 1.00 0.00 C ATOM 927 O GLU A 66 0.734 -2.573 -4.555 1.00 0.00 O ATOM 928 CB GLU A 66 0.299 -3.726 -7.306 1.00 0.00 C ATOM 929 CG GLU A 66 -1.022 -4.029 -6.597 1.00 0.00 C ATOM 930 CD GLU A 66 -1.767 -5.171 -7.291 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.493 -5.380 -8.493 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.594 -5.809 -6.605 1.00 0.00 O ATOM 0 H GLU A 66 2.752 -3.043 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 66 0.376 -1.624 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.162 -3.798 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.044 -4.472 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.829 -4.295 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.647 -3.136 -6.587 1.00 0.00 H new ATOM 939 N VAL A 67 -0.438 -0.874 -5.480 1.00 0.00 N ATOM 940 CA VAL A 67 -0.942 -0.382 -4.210 1.00 0.00 C ATOM 941 C VAL A 67 -2.211 -1.152 -3.837 1.00 0.00 C ATOM 942 O VAL A 67 -3.176 -1.171 -4.599 1.00 0.00 O ATOM 943 CB VAL A 67 -1.161 1.131 -4.283 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.768 1.661 -2.983 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.144 1.857 -4.616 1.00 0.00 C ATOM 0 H VAL A 67 -0.747 -0.345 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.213 -0.553 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.870 1.329 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.913 2.738 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.729 1.177 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.095 1.445 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.038 2.931 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.884 1.648 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.517 1.511 -5.580 1.00 0.00 H new ATOM 955 N LEU A 68 -2.168 -1.768 -2.665 1.00 0.00 N ATOM 956 CA LEU A 68 -3.302 -2.538 -2.182 1.00 0.00 C ATOM 957 C LEU A 68 -4.236 -1.620 -1.392 1.00 0.00 C ATOM 958 O LEU A 68 -5.441 -1.594 -1.638 1.00 0.00 O ATOM 959 CB LEU A 68 -2.824 -3.757 -1.391 1.00 0.00 C ATOM 960 CG LEU A 68 -1.664 -4.543 -2.006 1.00 0.00 C ATOM 961 CD1 LEU A 68 -0.861 -5.270 -0.925 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.164 -5.500 -3.090 1.00 0.00 C ATOM 0 H LEU A 68 -1.366 -1.750 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.877 -2.935 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.525 -3.426 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.668 -4.435 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.989 -3.836 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.043 -5.821 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.456 -4.543 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.512 -5.965 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.320 -6.046 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.872 -6.205 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.657 -4.931 -3.878 1.00 0.00 H new ATOM 974 N SER A 69 -3.645 -0.888 -0.458 1.00 0.00 N ATOM 975 CA SER A 69 -4.410 0.029 0.369 1.00 0.00 C ATOM 976 C SER A 69 -3.493 1.119 0.927 1.00 0.00 C ATOM 977 O SER A 69 -2.270 1.001 0.861 1.00 0.00 O ATOM 978 CB SER A 69 -5.108 -0.712 1.511 1.00 0.00 C ATOM 979 OG SER A 69 -4.222 -0.980 2.594 1.00 0.00 O ATOM 0 H SER A 69 -2.645 -0.912 -0.256 1.00 0.00 H new ATOM 0 HA SER A 69 -5.178 0.491 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.948 -0.117 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.518 -1.650 1.137 1.00 0.00 H new ATOM 0 HG SER A 69 -4.706 -1.452 3.303 1.00 0.00 H new ATOM 985 N ILE A 70 -4.118 2.157 1.463 1.00 0.00 N ATOM 986 CA ILE A 70 -3.373 3.268 2.031 1.00 0.00 C ATOM 987 C ILE A 70 -4.137 3.826 3.234 1.00 0.00 C ATOM 988 O ILE A 70 -5.295 4.222 3.109 1.00 0.00 O ATOM 989 CB ILE A 70 -3.068 4.314 0.957 1.00 0.00 C ATOM 990 CG1 ILE A 70 -1.904 3.866 0.071 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.817 5.687 1.584 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.704 4.831 -1.100 1.00 0.00 C ATOM 0 H ILE A 70 -5.132 2.252 1.516 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.404 2.929 2.397 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.943 4.410 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.991 3.813 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.096 2.863 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.603 6.412 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.702 6.002 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.967 5.627 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.871 4.490 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.611 4.863 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.488 5.828 -0.717 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.458 3.839 4.371 1.00 0.00 N ATOM 1005 CA ASN A 71 -4.058 4.342 5.595 1.00 0.00 C ATOM 1006 C ASN A 71 -4.914 3.243 6.228 1.00 0.00 C ATOM 1007 O ASN A 71 -5.485 3.436 7.300 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.963 5.543 5.312 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.844 6.592 6.419 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -5.819 7.010 7.022 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.598 6.994 6.652 1.00 0.00 N ATOM 0 H ASN A 71 -2.498 3.509 4.471 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.253 4.647 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.694 5.988 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.998 5.212 5.230 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.414 7.693 7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.827 6.604 6.111 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.977 2.115 5.536 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.754 0.985 6.017 1.00 0.00 C ATOM 1020 C GLY A 72 -7.068 0.855 5.244 1.00 0.00 C ATOM 1021 O GLY A 72 -7.918 0.036 5.591 1.00 0.00 O ATOM 0 H GLY A 72 -4.503 1.959 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.174 0.069 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.964 1.109 7.079 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.194 1.676 4.212 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.390 1.664 3.387 1.00 0.00 C ATOM 1027 C LYS A 73 -8.088 0.951 2.068 1.00 0.00 C ATOM 1028 O LYS A 73 -7.342 1.466 1.237 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.933 3.083 3.210 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.743 3.202 1.917 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.217 4.640 1.697 1.00 0.00 C ATOM 1032 CE LYS A 73 -10.822 4.811 0.303 1.00 0.00 C ATOM 1033 NZ LYS A 73 -9.818 4.502 -0.740 1.00 0.00 N ATOM 0 H LYS A 73 -6.487 2.354 3.928 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.185 1.103 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.560 3.345 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.106 3.793 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.134 2.883 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.603 2.534 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.957 4.902 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.379 5.326 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.685 4.154 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.181 5.833 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.864 5.221 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.868 4.502 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.016 3.565 -1.146 1.00 0.00 H new ATOM 1047 N SER A 74 -8.682 -0.223 1.916 1.00 0.00 N ATOM 1048 CA SER A 74 -8.486 -1.012 0.712 1.00 0.00 C ATOM 1049 C SER A 74 -9.245 -0.380 -0.457 1.00 0.00 C ATOM 1050 O SER A 74 -10.244 0.308 -0.253 1.00 0.00 O ATOM 1051 CB SER A 74 -8.940 -2.458 0.920 1.00 0.00 C ATOM 1052 OG SER A 74 -7.861 -3.380 0.797 1.00 0.00 O ATOM 0 H SER A 74 -9.300 -0.647 2.608 1.00 0.00 H new ATOM 0 HA SER A 74 -7.421 -1.024 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.391 -2.558 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.712 -2.704 0.191 1.00 0.00 H new ATOM 0 HG SER A 74 -8.192 -4.292 0.938 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.741 -0.636 -1.655 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.359 -0.101 -2.857 1.00 0.00 C ATOM 1060 C LEU A 75 -10.492 -1.029 -3.299 1.00 0.00 C ATOM 1061 O LEU A 75 -10.243 -2.107 -3.835 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.305 0.141 -3.939 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.950 0.658 -3.452 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.860 0.410 -4.498 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.036 2.132 -3.052 1.00 0.00 C ATOM 0 H LEU A 75 -7.912 -1.207 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.805 0.873 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.143 -0.794 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.707 0.856 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.672 0.098 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.907 0.787 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.777 -0.660 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.119 0.926 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.059 2.474 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.347 2.725 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.763 2.249 -2.249 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.714 -0.575 -3.057 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.886 -1.351 -3.424 1.00 0.00 C ATOM 1079 C LYS A 76 -13.282 -1.019 -4.864 1.00 0.00 C ATOM 1080 O LYS A 76 -14.377 -1.364 -5.305 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.011 -1.132 -2.410 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.269 0.360 -2.191 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.576 0.855 -0.920 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.579 1.014 0.225 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.035 1.910 1.270 1.00 0.00 N ATOM 0 H LYS A 76 -11.917 0.320 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.663 -2.417 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.923 -1.614 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.748 -1.602 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.908 0.925 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.342 0.541 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.796 0.152 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.088 1.810 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.516 1.419 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.806 0.039 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.728 2.007 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.153 1.508 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.841 2.845 0.859 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.370 -0.353 -5.556 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.610 0.029 -6.937 1.00 0.00 C ATOM 1101 C GLY A 77 -12.640 1.551 -7.088 1.00 0.00 C ATOM 1102 O GLY A 77 -13.276 2.077 -8.000 1.00 0.00 O ATOM 0 H GLY A 77 -11.463 -0.068 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.830 -0.388 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.557 -0.392 -7.275 1.00 0.00 H new ATOM 1106 N THR A 78 -11.942 2.217 -6.179 1.00 0.00 N ATOM 1107 CA THR A 78 -11.880 3.669 -6.199 1.00 0.00 C ATOM 1108 C THR A 78 -11.239 4.157 -7.499 1.00 0.00 C ATOM 1109 O THR A 78 -10.310 3.533 -8.010 1.00 0.00 O ATOM 1110 CB THR A 78 -11.135 4.128 -4.944 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.233 3.017 -4.056 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.862 5.257 -4.211 1.00 0.00 C ATOM 0 H THR A 78 -11.415 1.778 -5.424 1.00 0.00 H new ATOM 0 HA THR A 78 -12.878 4.108 -6.181 1.00 0.00 H new ATOM 0 HB THR A 78 -10.133 4.460 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.387 2.523 -4.055 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.291 5.545 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.962 6.116 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.852 4.916 -3.907 1.00 0.00 H new ATOM 1120 N THR A 79 -11.760 5.268 -7.998 1.00 0.00 N ATOM 1121 CA THR A 79 -11.250 5.848 -9.229 1.00 0.00 C ATOM 1122 C THR A 79 -9.820 6.353 -9.028 1.00 0.00 C ATOM 1123 O THR A 79 -9.184 6.044 -8.021 1.00 0.00 O ATOM 1124 CB THR A 79 -12.223 6.941 -9.676 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.459 7.700 -8.494 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.601 6.384 -10.042 1.00 0.00 C ATOM 0 H THR A 79 -12.531 5.782 -7.572 1.00 0.00 H new ATOM 0 HA THR A 79 -11.190 5.102 -10.022 1.00 0.00 H new ATOM 0 HB THR A 79 -11.806 7.470 -10.533 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.947 8.519 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.253 7.201 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.500 5.670 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.033 5.884 -9.175 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.355 7.121 -10.003 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.012 7.672 -9.946 1.00 0.00 C ATOM 1136 C HIS A 80 -7.975 8.833 -8.950 1.00 0.00 C ATOM 1137 O HIS A 80 -6.986 9.018 -8.243 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.529 8.071 -11.341 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.173 8.736 -11.355 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.025 8.089 -11.779 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.794 9.996 -10.994 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.008 8.931 -11.672 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.486 10.111 -11.185 1.00 0.00 N ATOM 0 H HIS A 80 -9.885 7.374 -10.837 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.318 6.911 -9.589 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.492 7.181 -11.970 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.258 8.747 -11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.448 10.769 -10.617 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.980 8.720 -11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.930 10.945 -10.998 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.066 9.585 -8.927 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.171 10.724 -8.031 1.00 0.00 C ATOM 1153 C HIS A 81 -9.471 10.234 -6.613 1.00 0.00 C ATOM 1154 O HIS A 81 -8.647 10.386 -5.712 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.207 11.725 -8.544 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.291 12.994 -7.728 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.275 14.254 -8.299 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.394 13.182 -6.381 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.363 15.153 -7.330 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.436 14.487 -6.142 1.00 0.00 N ATOM 0 H HIS A 81 -9.885 9.428 -9.515 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.221 11.257 -8.001 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.968 11.984 -9.576 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.186 11.246 -8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.435 12.402 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.375 16.225 -7.458 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.511 14.920 -5.222 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.653 9.656 -6.458 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.072 9.142 -5.165 1.00 0.00 C ATOM 1170 C ASP A 82 -9.887 8.453 -4.486 1.00 0.00 C ATOM 1171 O ASP A 82 -9.800 8.424 -3.260 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.194 8.113 -5.318 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.550 8.691 -5.725 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.539 9.709 -6.451 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.568 8.102 -5.302 1.00 0.00 O ATOM 0 H ASP A 82 -11.334 9.532 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.432 9.981 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.892 7.376 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.311 7.582 -4.373 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.003 7.915 -5.314 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.827 7.228 -4.809 1.00 0.00 C ATOM 1182 C ALA A 83 -6.718 8.249 -4.546 1.00 0.00 C ATOM 1183 O ALA A 83 -6.084 8.225 -3.492 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.400 6.147 -5.805 1.00 0.00 C ATOM 0 H ALA A 83 -9.078 7.941 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.049 6.732 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.518 5.631 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.211 5.431 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.167 6.608 -6.765 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.518 9.122 -5.522 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.497 10.150 -5.409 1.00 0.00 C ATOM 1192 C LEU A 84 -5.802 11.035 -4.199 1.00 0.00 C ATOM 1193 O LEU A 84 -4.906 11.362 -3.423 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.370 10.926 -6.722 1.00 0.00 C ATOM 1195 CG LEU A 84 -4.866 12.365 -6.604 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -3.448 12.497 -7.165 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.837 13.343 -7.269 1.00 0.00 C ATOM 0 H LEU A 84 -7.046 9.139 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.520 9.699 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.696 10.379 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.346 10.942 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.821 12.625 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.113 13.530 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.775 11.844 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.445 12.211 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.455 14.359 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.938 13.094 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.811 13.274 -6.785 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.071 11.397 -4.076 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.505 12.238 -2.973 1.00 0.00 C ATOM 1211 C ALA A 85 -7.195 11.536 -1.649 1.00 0.00 C ATOM 1212 O ALA A 85 -6.492 12.084 -0.802 1.00 0.00 O ATOM 1213 CB ALA A 85 -8.993 12.557 -3.130 1.00 0.00 C ATOM 0 H ALA A 85 -7.812 11.124 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.966 13.185 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.319 13.188 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.155 13.081 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.566 11.630 -3.127 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.735 10.334 -1.513 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.525 9.551 -0.307 1.00 0.00 C ATOM 1221 C ILE A 86 -6.046 9.603 0.078 1.00 0.00 C ATOM 1222 O ILE A 86 -5.711 9.770 1.250 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.064 8.131 -0.489 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.413 7.962 0.211 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.042 7.093 -0.022 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.565 8.019 -0.795 1.00 0.00 C ATOM 0 H ILE A 86 -8.318 9.883 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.087 9.975 0.525 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.231 7.963 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.435 7.010 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.539 8.745 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.450 6.092 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.126 7.196 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.820 7.250 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.513 7.896 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.555 8.982 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.449 7.219 -1.527 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.199 9.457 -0.930 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.763 9.485 -0.712 1.00 0.00 C ATOM 1240 C LEU A 87 -3.364 10.848 -0.142 1.00 0.00 C ATOM 1241 O LEU A 87 -2.466 10.937 0.694 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.018 9.114 -1.996 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.596 9.662 -2.129 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.606 11.183 -2.287 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.724 9.214 -0.954 1.00 0.00 C ATOM 0 H LEU A 87 -5.480 9.319 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.475 8.734 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.975 8.027 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.603 9.466 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.154 9.248 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.582 11.546 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.169 11.452 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.074 11.636 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.282 9.617 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.154 9.580 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.678 8.125 -0.929 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.052 11.876 -0.617 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.781 13.230 -0.165 1.00 0.00 C ATOM 1259 C ARG A 88 -4.240 13.408 1.283 1.00 0.00 C ATOM 1260 O ARG A 88 -3.703 14.242 2.011 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.492 14.258 -1.048 1.00 0.00 C ATOM 1262 CG ARG A 88 -5.731 14.820 -0.347 1.00 0.00 C ATOM 1263 CD ARG A 88 -6.674 15.487 -1.350 1.00 0.00 C ATOM 1264 NE ARG A 88 -6.759 16.939 -1.077 1.00 0.00 N ATOM 1265 CZ ARG A 88 -7.463 17.803 -1.821 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -8.147 17.367 -2.888 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -7.483 19.104 -1.498 1.00 0.00 N ATOM 0 H ARG A 88 -4.796 11.798 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.705 13.393 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.807 15.070 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.782 13.794 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.255 14.017 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.428 15.544 0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.315 15.320 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.665 15.038 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.250 17.305 -0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.132 16.377 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.683 18.025 -3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.962 19.436 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.019 19.762 -2.064 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.229 12.611 1.659 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.767 12.670 3.008 1.00 0.00 C ATOM 1283 C GLN A 89 -4.917 11.821 3.956 1.00 0.00 C ATOM 1284 O GLN A 89 -4.806 12.130 5.141 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.230 12.224 3.036 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.110 13.181 2.230 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.372 13.555 3.011 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.475 13.347 4.209 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.322 14.115 2.268 1.00 0.00 N ATOM 0 H GLN A 89 -5.672 11.921 1.053 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.731 13.705 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.315 11.216 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.581 12.182 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.547 14.083 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.388 12.716 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.170 14.260 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.203 14.400 2.696 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.338 10.768 3.398 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.501 9.873 4.178 1.00 0.00 C ATOM 1300 C ALA A 90 -2.156 10.548 4.452 1.00 0.00 C ATOM 1301 O ALA A 90 -1.347 10.036 5.225 1.00 0.00 O ATOM 1302 CB ALA A 90 -3.346 8.543 3.437 1.00 0.00 C ATOM 0 H ALA A 90 -4.432 10.515 2.414 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.964 9.658 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.718 7.871 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.327 8.090 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.883 8.719 2.466 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.959 11.687 3.805 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.726 12.438 3.970 1.00 0.00 C ATOM 1310 C ARG A 91 -0.919 13.556 4.996 1.00 0.00 C ATOM 1311 O ARG A 91 0.037 14.240 5.360 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.271 13.047 2.642 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.814 14.467 2.475 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.981 14.820 0.995 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.256 16.074 0.689 1.00 0.00 N ATOM 1316 CZ ARG A 91 -0.108 16.573 -0.545 1.00 0.00 C ATOM 1317 NH1 ARG A 91 -0.633 15.929 -1.596 1.00 0.00 N ATOM 1318 NH2 ARG A 91 0.566 17.717 -0.728 1.00 0.00 N ATOM 0 H ARG A 91 -2.633 12.108 3.165 1.00 0.00 H new ATOM 0 HA ARG A 91 0.040 11.746 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.818 13.063 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.613 12.424 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.774 14.555 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.136 15.177 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.600 14.009 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.039 14.934 0.757 1.00 0.00 H new ATOM 0 HE ARG A 91 0.156 16.590 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.146 15.058 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.520 16.309 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.966 18.207 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.679 18.098 -1.668 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.160 13.707 5.434 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.490 14.730 6.411 1.00 0.00 C ATOM 1334 C GLU A 92 -1.782 14.445 7.738 1.00 0.00 C ATOM 1335 O GLU A 92 -1.249 15.356 8.369 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.003 14.833 6.608 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.718 15.038 5.270 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.216 14.758 5.401 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.585 14.089 6.390 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -6.959 15.219 4.507 1.00 0.00 O ATOM 0 H GLU A 92 -2.950 13.137 5.130 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.140 15.691 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.373 13.927 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.231 15.663 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.564 16.060 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.285 14.379 4.518 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.801 13.143 8.131 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.168 12.726 9.370 1.00 0.00 C ATOM 1349 C PRO A 93 0.354 12.696 9.226 1.00 0.00 C ATOM 1350 O PRO A 93 0.882 12.896 8.132 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.763 11.361 9.676 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.352 10.861 8.368 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.424 12.037 7.408 1.00 0.00 C ATOM 0 HA PRO A 93 -1.353 13.419 10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.000 10.677 10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.530 11.433 10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.735 10.065 7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.344 10.441 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.895 11.823 6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.455 12.269 7.142 1.00 0.00 H new ATOM 1361 N ARG A 94 1.018 12.446 10.344 1.00 0.00 N ATOM 1362 CA ARG A 94 2.470 12.388 10.356 1.00 0.00 C ATOM 1363 C ARG A 94 2.948 10.991 9.953 1.00 0.00 C ATOM 1364 O ARG A 94 4.129 10.794 9.669 1.00 0.00 O ATOM 1365 CB ARG A 94 3.024 12.729 11.741 1.00 0.00 C ATOM 1366 CG ARG A 94 3.523 14.174 11.791 1.00 0.00 C ATOM 1367 CD ARG A 94 2.841 14.951 12.919 1.00 0.00 C ATOM 1368 NE ARG A 94 3.527 16.245 13.129 1.00 0.00 N ATOM 1369 CZ ARG A 94 4.753 16.369 13.655 1.00 0.00 C ATOM 1370 NH1 ARG A 94 5.435 15.277 14.028 1.00 0.00 N ATOM 1371 NH2 ARG A 94 5.297 17.584 13.809 1.00 0.00 N ATOM 0 H ARG A 94 0.577 12.281 11.249 1.00 0.00 H new ATOM 0 HA ARG A 94 2.837 13.123 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.249 12.582 12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.840 12.050 11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.603 14.185 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.327 14.663 10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.793 15.121 12.672 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.861 14.366 13.838 1.00 0.00 H new ATOM 0 HE ARG A 94 3.036 17.096 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.021 14.352 13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.368 15.371 14.428 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.778 18.415 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.230 17.678 14.210 1.00 0.00 H new ATOM 1385 N GLN A 95 2.007 10.059 9.940 1.00 0.00 N ATOM 1386 CA GLN A 95 2.318 8.687 9.577 1.00 0.00 C ATOM 1387 C GLN A 95 1.284 8.155 8.582 1.00 0.00 C ATOM 1388 O GLN A 95 0.122 8.556 8.615 1.00 0.00 O ATOM 1389 CB GLN A 95 2.394 7.795 10.817 1.00 0.00 C ATOM 1390 CG GLN A 95 3.020 6.440 10.480 1.00 0.00 C ATOM 1391 CD GLN A 95 2.600 5.375 11.496 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.372 4.944 12.337 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.338 4.976 11.371 1.00 0.00 N ATOM 0 H GLN A 95 1.029 10.227 10.175 1.00 0.00 H new ATOM 0 HA GLN A 95 3.297 8.671 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.983 8.290 11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.394 7.646 11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.716 6.133 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.106 6.530 10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.746 5.378 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.962 4.268 12.001 1.00 0.00 H new ATOM 1402 N ALA A 96 1.745 7.259 7.721 1.00 0.00 N ATOM 1403 CA ALA A 96 0.875 6.668 6.719 1.00 0.00 C ATOM 1404 C ALA A 96 1.157 5.167 6.626 1.00 0.00 C ATOM 1405 O ALA A 96 2.274 4.724 6.890 1.00 0.00 O ATOM 1406 CB ALA A 96 1.078 7.383 5.381 1.00 0.00 C ATOM 0 H ALA A 96 2.710 6.928 7.697 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.171 6.790 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.425 6.940 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.837 8.440 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.117 7.279 5.067 1.00 0.00 H new ATOM 1412 N VAL A 97 0.125 4.426 6.252 1.00 0.00 N ATOM 1413 CA VAL A 97 0.247 2.984 6.121 1.00 0.00 C ATOM 1414 C VAL A 97 -0.090 2.575 4.686 1.00 0.00 C ATOM 1415 O VAL A 97 -1.154 2.917 4.173 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.631 2.287 7.163 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.064 0.903 6.678 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.086 2.196 8.512 1.00 0.00 C ATOM 0 H VAL A 97 -0.800 4.797 6.035 1.00 0.00 H new ATOM 0 HA VAL A 97 1.272 2.669 6.316 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.529 2.889 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.687 0.430 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.632 1.003 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.182 0.288 6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.560 1.697 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.009 1.627 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.321 3.199 8.868 1.00 0.00 H new ATOM 1428 N ILE A 98 0.837 1.849 4.078 1.00 0.00 N ATOM 1429 CA ILE A 98 0.651 1.390 2.712 1.00 0.00 C ATOM 1430 C ILE A 98 1.047 -0.084 2.616 1.00 0.00 C ATOM 1431 O ILE A 98 2.141 -0.465 3.029 1.00 0.00 O ATOM 1432 CB ILE A 98 1.406 2.295 1.736 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.124 3.770 2.025 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.087 1.924 0.286 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.284 4.411 2.790 1.00 0.00 C ATOM 0 H ILE A 98 1.719 1.567 4.506 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.399 1.457 2.426 1.00 0.00 H new ATOM 0 HB ILE A 98 2.475 2.137 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.963 4.303 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.206 3.861 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.636 2.582 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.380 0.890 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.017 2.035 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.058 5.460 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.427 3.891 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.195 4.340 2.196 1.00 0.00 H new ATOM 1447 N VAL A 99 0.136 -0.874 2.068 1.00 0.00 N ATOM 1448 CA VAL A 99 0.376 -2.299 1.912 1.00 0.00 C ATOM 1449 C VAL A 99 0.710 -2.598 0.449 1.00 0.00 C ATOM 1450 O VAL A 99 -0.129 -2.422 -0.432 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.828 -3.092 2.424 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.449 -4.549 2.698 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.426 -2.437 3.671 1.00 0.00 C ATOM 0 H VAL A 99 -0.770 -0.554 1.726 1.00 0.00 H new ATOM 0 HA VAL A 99 1.232 -2.610 2.511 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.590 -3.085 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.323 -5.090 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.092 -5.011 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.338 -4.585 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.280 -3.021 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.673 -2.398 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.751 -1.425 3.430 1.00 0.00 H new ATOM 1463 N THR A 100 1.939 -3.046 0.236 1.00 0.00 N ATOM 1464 CA THR A 100 2.395 -3.371 -1.105 1.00 0.00 C ATOM 1465 C THR A 100 3.163 -4.694 -1.100 1.00 0.00 C ATOM 1466 O THR A 100 3.771 -5.060 -0.095 1.00 0.00 O ATOM 1467 CB THR A 100 3.219 -2.192 -1.623 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.146 -1.928 -0.573 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.399 -0.905 -1.728 1.00 0.00 C ATOM 0 H THR A 100 2.633 -3.191 0.969 1.00 0.00 H new ATOM 0 HA THR A 100 1.555 -3.521 -1.783 1.00 0.00 H new ATOM 0 HB THR A 100 3.631 -2.440 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.722 -1.177 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.032 -0.100 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.566 -1.059 -2.414 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.014 -0.638 -0.744 1.00 0.00 H new ATOM 1477 N ARG A 101 3.111 -5.376 -2.235 1.00 0.00 N ATOM 1478 CA ARG A 101 3.795 -6.651 -2.375 1.00 0.00 C ATOM 1479 C ARG A 101 4.701 -6.634 -3.607 1.00 0.00 C ATOM 1480 O ARG A 101 4.532 -5.802 -4.496 1.00 0.00 O ATOM 1481 CB ARG A 101 2.794 -7.801 -2.501 1.00 0.00 C ATOM 1482 CG ARG A 101 1.993 -7.691 -3.800 1.00 0.00 C ATOM 1483 CD ARG A 101 0.490 -7.765 -3.524 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.218 -8.284 -4.716 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.377 -9.587 -4.987 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.121 -10.510 -4.153 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.033 -9.966 -6.092 1.00 0.00 N ATOM 0 H ARG A 101 2.606 -5.070 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 101 4.397 -6.805 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.324 -8.753 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.115 -7.791 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.229 -6.751 -4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.282 -8.493 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.300 -8.412 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.110 -6.776 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.609 -7.608 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.621 -10.221 -3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.000 -11.502 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.411 -9.263 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.154 -10.958 -6.298 1.00 0.00 H new