USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -118:sc= -0.015 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.49 K(o=0.47,f=-0.49) USER MOD Set 2.1: A 44 ASN : amide:sc= 0.202 X(o=-0.036,f=-0.46) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= -0.918 USER MOD Set 2.3: A 56 TYR OH : rot 180:sc= 0.68 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.58 F(o=-3.4!,f=-0.58) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.346 F(o=-1.7!,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.13) USER MOD Single : A 23 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.036) USER MOD Single : A 26 ASN : amide:sc= 0.478 K(o=0.48,f=-0.13) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.3! C(o=-4.2!,f=-2.3!) USER MOD Single : A 42 SER OG : rot 91:sc= 0.956 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.18! C(o=-3.4!,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 61 SER OG : rot 162:sc= -0.294 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0136 F(o=-0.89!,f=-0.014) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc=-0.00602 (180deg=-0.117) USER MOD Single : A 78 MET CE :methyl 151:sc= -3.04! (180deg=-3.91) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.497 F(o=-4!,f=-0.5) USER MOD Single : A 81 ASN :FLIP amide:sc= -2.59 F(o=-4.7!,f=-2.6) USER MOD Single : A 85 MET CE :methyl -164:sc= -1.47 (180deg=-2.96) USER MOD Single : A 86 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-9.7!) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc=-0.00471 (180deg=-0.0813) USER MOD Single : A 98 THR OG1 : rot -35:sc= 0.527 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.15) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.523 -10.371 -3.657 1.00 0.00 N ATOM 154 CA VAL A 12 -8.019 -9.730 -4.827 1.00 0.00 C ATOM 155 C VAL A 12 -6.873 -8.895 -5.310 1.00 0.00 C ATOM 156 O VAL A 12 -6.486 -7.934 -4.645 1.00 0.00 O ATOM 157 CB VAL A 12 -9.250 -8.825 -4.522 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.787 -8.184 -5.798 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.347 -9.624 -3.823 1.00 0.00 C ATOM 0 HA VAL A 12 -8.361 -10.458 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.923 -8.029 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.646 -7.558 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.008 -7.572 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.091 -8.963 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.197 -8.973 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.664 -10.445 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.964 -10.025 -2.885 1.00 0.00 H new ATOM 169 N VAL A 13 -6.249 -9.340 -6.358 1.00 0.00 N ATOM 170 CA VAL A 13 -5.104 -8.659 -6.880 1.00 0.00 C ATOM 171 C VAL A 13 -5.502 -7.797 -8.075 1.00 0.00 C ATOM 172 O VAL A 13 -6.251 -8.236 -8.958 1.00 0.00 O ATOM 173 CB VAL A 13 -3.957 -9.652 -7.252 1.00 0.00 C ATOM 174 CG1 VAL A 13 -4.322 -10.570 -8.400 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.655 -8.920 -7.511 1.00 0.00 C ATOM 0 H VAL A 13 -6.517 -10.179 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.715 -8.007 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.811 -10.296 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.486 -11.237 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.197 -11.160 -8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.545 -9.974 -9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.878 -9.640 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.789 -8.221 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.361 -8.372 -6.616 1.00 0.00 H new ATOM 185 N GLN A 14 -5.035 -6.586 -8.081 1.00 0.00 N ATOM 186 CA GLN A 14 -5.345 -5.652 -9.132 1.00 0.00 C ATOM 187 C GLN A 14 -4.160 -4.713 -9.359 1.00 0.00 C ATOM 188 O GLN A 14 -3.370 -4.464 -8.429 1.00 0.00 O ATOM 189 CB GLN A 14 -6.652 -4.908 -8.794 1.00 0.00 C ATOM 190 CG GLN A 14 -6.628 -4.138 -7.489 1.00 0.00 C ATOM 191 CD GLN A 14 -6.482 -2.652 -7.701 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.282 -2.200 -7.790 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.464 -1.929 -7.820 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.424 -6.211 -7.355 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.512 -6.178 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.878 -4.215 -9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.466 -5.632 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.547 -4.335 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.803 -4.497 -6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.401 -2.325 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.345 -0.931 -7.996 1.00 0.00 H new ATOM 202 N ARG A 15 -4.043 -4.180 -10.554 1.00 0.00 N ATOM 203 CA ARG A 15 -2.887 -3.386 -10.928 1.00 0.00 C ATOM 204 C ARG A 15 -3.162 -1.904 -10.660 1.00 0.00 C ATOM 205 O ARG A 15 -4.305 -1.440 -10.763 1.00 0.00 O ATOM 206 CB ARG A 15 -2.524 -3.629 -12.439 1.00 0.00 C ATOM 207 CG ARG A 15 -3.346 -2.834 -13.473 1.00 0.00 C ATOM 208 CD ARG A 15 -2.654 -1.508 -13.819 1.00 0.00 C ATOM 209 NE ARG A 15 -3.554 -0.539 -14.454 1.00 0.00 N ATOM 210 CZ ARG A 15 -3.159 0.515 -15.181 1.00 0.00 C ATOM 211 NH1 ARG A 15 -1.938 0.548 -15.709 1.00 0.00 N ATOM 212 NH2 ARG A 15 -4.021 1.490 -15.452 1.00 0.00 N ATOM 0 H ARG A 15 -4.740 -4.282 -11.292 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.033 -3.691 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.470 -3.389 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.640 -4.692 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.474 -3.429 -14.377 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.342 -2.637 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.243 -1.071 -12.909 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.814 -1.706 -14.485 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.557 -0.678 -14.333 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.297 -0.232 -15.561 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.643 1.353 -16.262 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.979 1.434 -15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.724 2.294 -16.005 1.00 0.00 H new ATOM 226 N VAL A 16 -2.134 -1.178 -10.327 1.00 0.00 N ATOM 227 CA VAL A 16 -2.231 0.245 -10.122 1.00 0.00 C ATOM 228 C VAL A 16 -1.127 0.879 -10.960 1.00 0.00 C ATOM 229 O VAL A 16 -0.150 0.212 -11.283 1.00 0.00 O ATOM 230 CB VAL A 16 -1.984 0.673 -8.642 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.569 2.029 -8.370 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.460 -0.345 -7.624 1.00 0.00 C ATOM 0 H VAL A 16 -1.197 -1.556 -10.188 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.238 0.560 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.902 0.727 -8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.383 2.304 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.106 2.764 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.643 2.005 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.254 0.022 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.532 -0.502 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.936 -1.288 -7.780 1.00 0.00 H new ATOM 242 N GLU A 17 -1.271 2.124 -11.308 1.00 0.00 N ATOM 243 CA GLU A 17 -0.274 2.825 -12.064 1.00 0.00 C ATOM 244 C GLU A 17 -0.308 4.299 -11.716 1.00 0.00 C ATOM 245 O GLU A 17 -1.230 5.029 -12.087 1.00 0.00 O ATOM 246 CB GLU A 17 -0.463 2.581 -13.553 1.00 0.00 C ATOM 247 CG GLU A 17 0.549 3.270 -14.443 1.00 0.00 C ATOM 248 CD GLU A 17 0.468 2.797 -15.875 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.638 2.793 -16.455 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.494 2.373 -16.433 1.00 0.00 O ATOM 0 H GLU A 17 -2.089 2.686 -11.074 1.00 0.00 H new ATOM 0 HA GLU A 17 0.714 2.445 -11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.419 1.508 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.461 2.913 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.386 4.347 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.552 3.087 -14.058 1.00 0.00 H new ATOM 257 N ILE A 18 0.668 4.719 -10.983 1.00 0.00 N ATOM 258 CA ILE A 18 0.755 6.084 -10.542 1.00 0.00 C ATOM 259 C ILE A 18 1.612 6.857 -11.493 1.00 0.00 C ATOM 260 O ILE A 18 2.687 6.401 -11.870 1.00 0.00 O ATOM 261 CB ILE A 18 1.290 6.240 -9.062 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.199 5.991 -8.005 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.949 7.588 -8.818 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.240 4.564 -7.831 1.00 0.00 C ATOM 0 H ILE A 18 1.436 4.127 -10.667 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.259 6.483 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 18 2.049 5.465 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.562 6.358 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.674 6.589 -8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.298 7.641 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.796 7.707 -9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.227 8.384 -8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.010 4.512 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.642 4.190 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.613 3.955 -7.533 1.00 0.00 H new ATOM 276 N HIS A 19 1.108 7.973 -11.923 1.00 0.00 N ATOM 277 CA HIS A 19 1.841 8.860 -12.775 1.00 0.00 C ATOM 278 C HIS A 19 2.380 10.014 -11.946 1.00 0.00 C ATOM 279 O HIS A 19 1.712 10.464 -11.013 1.00 0.00 O ATOM 280 CB HIS A 19 0.955 9.396 -13.916 1.00 0.00 C ATOM 281 CG HIS A 19 0.511 8.371 -14.927 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.766 7.048 -15.000 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.290 8.656 -16.012 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.126 6.513 -16.117 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.492 7.522 -16.690 1.00 0.00 N flip ATOM 0 H HIS A 19 0.169 8.297 -11.691 1.00 0.00 H new ATOM 0 HA HIS A 19 2.667 8.310 -13.226 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.069 9.857 -13.479 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.500 10.183 -14.437 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.686 9.627 -16.270 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.136 5.484 -16.444 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.052 7.449 -17.540 1.00 0.00 H new ATOM 293 N LYS A 20 3.601 10.421 -12.267 1.00 0.00 N ATOM 294 CA LYS A 20 4.328 11.567 -11.659 1.00 0.00 C ATOM 295 C LYS A 20 3.431 12.725 -11.138 1.00 0.00 C ATOM 296 O LYS A 20 2.783 13.446 -11.909 1.00 0.00 O ATOM 297 CB LYS A 20 5.329 12.105 -12.694 1.00 0.00 C ATOM 298 CG LYS A 20 4.680 12.427 -14.051 1.00 0.00 C ATOM 299 CD LYS A 20 5.669 12.942 -15.082 1.00 0.00 C ATOM 300 CE LYS A 20 6.714 11.919 -15.419 1.00 0.00 C ATOM 301 NZ LYS A 20 7.620 12.363 -16.483 1.00 0.00 N ATOM 0 H LYS A 20 4.150 9.952 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 20 4.823 11.180 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.800 13.006 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.120 11.370 -12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.197 11.529 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.898 13.172 -13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.133 13.225 -15.988 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.152 13.842 -14.703 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.295 11.691 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.225 10.994 -15.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.381 11.664 -16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.090 12.458 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.033 13.282 -16.226 1.00 0.00 H new ATOM 315 N LEU A 21 3.415 12.884 -9.833 1.00 0.00 N ATOM 316 CA LEU A 21 2.694 13.951 -9.189 1.00 0.00 C ATOM 317 C LEU A 21 3.689 14.899 -8.531 1.00 0.00 C ATOM 318 O LEU A 21 4.478 14.492 -7.668 1.00 0.00 O ATOM 319 CB LEU A 21 1.735 13.388 -8.143 1.00 0.00 C ATOM 320 CG LEU A 21 0.987 14.419 -7.293 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.055 15.164 -8.113 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.372 13.777 -6.061 1.00 0.00 C ATOM 0 H LEU A 21 3.908 12.269 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 21 2.110 14.493 -9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.000 12.764 -8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.299 12.737 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 21 1.716 15.153 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.567 15.888 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.434 15.685 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.780 14.454 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.152 14.535 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.332 13.004 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.158 13.331 -5.452 1.00 0.00 H new ATOM 334 N ARG A 22 3.660 16.143 -8.926 1.00 0.00 N ATOM 335 CA ARG A 22 4.600 17.118 -8.399 1.00 0.00 C ATOM 336 C ARG A 22 3.929 17.894 -7.293 1.00 0.00 C ATOM 337 O ARG A 22 2.986 18.654 -7.550 1.00 0.00 O ATOM 338 CB ARG A 22 5.098 18.134 -9.469 1.00 0.00 C ATOM 339 CG ARG A 22 5.714 17.563 -10.753 1.00 0.00 C ATOM 340 CD ARG A 22 4.653 16.986 -11.672 1.00 0.00 C ATOM 341 NE ARG A 22 5.168 16.599 -12.980 1.00 0.00 N ATOM 342 CZ ARG A 22 4.392 16.285 -14.025 1.00 0.00 C ATOM 343 NH1 ARG A 22 3.068 16.187 -13.868 1.00 0.00 N ATOM 344 NH2 ARG A 22 4.939 16.050 -15.214 1.00 0.00 N ATOM 0 H ARG A 22 3.000 16.513 -9.610 1.00 0.00 H new ATOM 0 HA ARG A 22 5.467 16.561 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.256 18.765 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.838 18.782 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.261 18.348 -11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.436 16.787 -10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.204 16.115 -11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.859 17.721 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 22 6.180 16.565 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.649 16.351 -12.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.476 15.948 -14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.951 16.109 -15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.347 15.811 -16.009 1.00 0.00 H new ATOM 358 N GLN A 23 4.383 17.715 -6.081 1.00 0.00 N ATOM 359 CA GLN A 23 3.834 18.418 -4.971 1.00 0.00 C ATOM 360 C GLN A 23 4.888 19.328 -4.434 1.00 0.00 C ATOM 361 O GLN A 23 5.857 18.852 -3.864 1.00 0.00 O ATOM 362 CB GLN A 23 3.421 17.432 -3.896 1.00 0.00 C ATOM 363 CG GLN A 23 2.353 16.460 -4.333 1.00 0.00 C ATOM 364 CD GLN A 23 1.055 17.140 -4.622 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.778 17.548 -5.740 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.267 17.290 -3.615 1.00 0.00 N ATOM 0 H GLN A 23 5.143 17.077 -5.844 1.00 0.00 H new ATOM 0 HA GLN A 23 2.958 18.989 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.299 16.871 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.061 17.985 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.689 15.930 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.204 15.712 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.537 16.934 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.628 17.765 -3.734 1.00 0.00 H new ATOM 375 N GLY A 24 4.745 20.608 -4.682 1.00 0.00 N ATOM 376 CA GLY A 24 5.698 21.579 -4.199 1.00 0.00 C ATOM 377 C GLY A 24 7.078 21.375 -4.786 1.00 0.00 C ATOM 378 O GLY A 24 7.295 21.582 -5.987 1.00 0.00 O ATOM 0 H GLY A 24 3.973 21.003 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.347 22.581 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.756 21.518 -3.112 1.00 0.00 H new ATOM 382 N GLU A 25 7.986 20.916 -3.961 1.00 0.00 N ATOM 383 CA GLU A 25 9.356 20.709 -4.365 1.00 0.00 C ATOM 384 C GLU A 25 9.701 19.222 -4.346 1.00 0.00 C ATOM 385 O GLU A 25 10.867 18.844 -4.384 1.00 0.00 O ATOM 386 CB GLU A 25 10.308 21.501 -3.454 1.00 0.00 C ATOM 387 CG GLU A 25 10.074 23.007 -3.481 1.00 0.00 C ATOM 388 CD GLU A 25 10.962 23.762 -2.523 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.678 23.779 -1.306 1.00 0.00 O ATOM 390 OE2 GLU A 25 11.950 24.382 -2.959 1.00 0.00 O ATOM 0 H GLU A 25 7.796 20.675 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 25 9.476 21.073 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.197 21.144 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.336 21.297 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.244 23.377 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.031 23.211 -3.238 1.00 0.00 H new ATOM 397 N ASN A 26 8.685 18.382 -4.318 1.00 0.00 N ATOM 398 CA ASN A 26 8.894 16.941 -4.287 1.00 0.00 C ATOM 399 C ASN A 26 8.110 16.327 -5.419 1.00 0.00 C ATOM 400 O ASN A 26 7.258 16.984 -6.037 1.00 0.00 O ATOM 401 CB ASN A 26 8.355 16.287 -2.982 1.00 0.00 C ATOM 402 CG ASN A 26 8.259 17.218 -1.806 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.175 17.356 -0.991 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.137 17.863 -1.716 1.00 0.00 N ATOM 0 H ASN A 26 7.706 18.668 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 26 9.968 16.769 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.367 15.872 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.003 15.452 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.985 18.516 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.407 17.717 -2.414 1.00 0.00 H new ATOM 411 N LEU A 27 8.364 15.091 -5.662 1.00 0.00 N ATOM 412 CA LEU A 27 7.645 14.306 -6.612 1.00 0.00 C ATOM 413 C LEU A 27 7.134 13.153 -5.785 1.00 0.00 C ATOM 414 O LEU A 27 7.925 12.457 -5.168 1.00 0.00 O ATOM 415 CB LEU A 27 8.622 13.821 -7.714 1.00 0.00 C ATOM 416 CG LEU A 27 8.041 13.192 -9.011 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.256 11.909 -8.758 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.206 14.201 -9.776 1.00 0.00 C ATOM 0 H LEU A 27 9.106 14.575 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 27 6.841 14.839 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.236 14.672 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.289 13.087 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 27 8.896 12.909 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.878 11.521 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.909 11.168 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.419 12.120 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.811 13.736 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.380 14.538 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.827 15.055 -10.049 1.00 0.00 H new ATOM 430 N ILE A 28 5.847 12.999 -5.692 1.00 0.00 N ATOM 431 CA ILE A 28 5.315 11.953 -4.860 1.00 0.00 C ATOM 432 C ILE A 28 4.363 11.118 -5.669 1.00 0.00 C ATOM 433 O ILE A 28 3.825 11.571 -6.673 1.00 0.00 O ATOM 434 CB ILE A 28 4.523 12.489 -3.617 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.923 13.934 -3.257 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.765 11.569 -2.417 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.209 14.484 -2.036 1.00 0.00 C ATOM 0 H ILE A 28 5.153 13.572 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 28 6.170 11.382 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 28 3.464 12.495 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.999 13.970 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.715 14.581 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.214 11.943 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.424 10.562 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.830 11.546 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.544 15.504 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.133 14.482 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.436 13.862 -1.170 1.00 0.00 H new ATOM 449 N LEU A 29 4.149 9.916 -5.221 1.00 0.00 N ATOM 450 CA LEU A 29 3.182 9.020 -5.819 1.00 0.00 C ATOM 451 C LEU A 29 1.805 9.271 -5.215 1.00 0.00 C ATOM 452 O LEU A 29 0.813 8.631 -5.572 1.00 0.00 O ATOM 453 CB LEU A 29 3.606 7.561 -5.617 1.00 0.00 C ATOM 454 CG LEU A 29 4.714 6.992 -6.540 1.00 0.00 C ATOM 455 CD1 LEU A 29 6.020 7.786 -6.478 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.968 5.546 -6.185 1.00 0.00 C ATOM 0 H LEU A 29 4.642 9.518 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 29 3.135 9.212 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.941 7.450 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.720 6.936 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 29 4.352 7.076 -7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.752 7.335 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.835 8.816 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.405 7.774 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.747 5.144 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.289 5.478 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.051 4.972 -6.320 1.00 0.00 H new ATOM 468 N GLY A 30 1.758 10.192 -4.280 1.00 0.00 N ATOM 469 CA GLY A 30 0.512 10.582 -3.680 1.00 0.00 C ATOM 470 C GLY A 30 0.135 9.784 -2.438 1.00 0.00 C ATOM 471 O GLY A 30 -0.410 10.338 -1.492 1.00 0.00 O ATOM 0 H GLY A 30 2.575 10.685 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.565 11.638 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.282 10.477 -4.419 1.00 0.00 H new ATOM 475 N PHE A 31 0.390 8.500 -2.442 1.00 0.00 N ATOM 476 CA PHE A 31 0.019 7.656 -1.323 1.00 0.00 C ATOM 477 C PHE A 31 1.190 7.437 -0.346 1.00 0.00 C ATOM 478 O PHE A 31 2.321 7.838 -0.621 1.00 0.00 O ATOM 479 CB PHE A 31 -0.546 6.323 -1.845 1.00 0.00 C ATOM 480 CG PHE A 31 0.436 5.395 -2.480 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.859 5.577 -3.780 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.896 4.304 -1.774 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.731 4.687 -4.365 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.769 3.411 -2.346 1.00 0.00 C ATOM 485 CZ PHE A 31 2.189 3.599 -3.647 1.00 0.00 C ATOM 0 H PHE A 31 0.854 8.011 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.757 8.166 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.021 5.803 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.328 6.543 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.503 6.426 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.566 4.149 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.057 4.839 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.126 2.564 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.873 2.898 -4.102 1.00 0.00 H new ATOM 495 N SER A 32 0.886 6.823 0.786 1.00 0.00 N ATOM 496 CA SER A 32 1.828 6.503 1.828 1.00 0.00 C ATOM 497 C SER A 32 1.551 5.099 2.388 1.00 0.00 C ATOM 498 O SER A 32 0.493 4.540 2.144 1.00 0.00 O ATOM 499 CB SER A 32 1.754 7.535 2.926 1.00 0.00 C ATOM 500 OG SER A 32 2.290 8.787 2.501 1.00 0.00 O ATOM 0 H SER A 32 -0.064 6.525 1.006 1.00 0.00 H new ATOM 0 HA SER A 32 2.834 6.512 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.717 7.667 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.303 7.180 3.799 1.00 0.00 H new ATOM 0 HG SER A 32 2.227 9.435 3.233 1.00 0.00 H new ATOM 506 N ILE A 33 2.460 4.568 3.197 1.00 0.00 N ATOM 507 CA ILE A 33 2.388 3.174 3.616 1.00 0.00 C ATOM 508 C ILE A 33 2.447 3.063 5.130 1.00 0.00 C ATOM 509 O ILE A 33 2.799 4.028 5.815 1.00 0.00 O ATOM 510 CB ILE A 33 3.566 2.336 3.032 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.883 2.612 3.806 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.731 2.613 1.544 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.101 1.921 3.264 1.00 0.00 C ATOM 0 H ILE A 33 3.256 5.082 3.576 1.00 0.00 H new ATOM 0 HA ILE A 33 1.441 2.786 3.241 1.00 0.00 H new ATOM 0 HB ILE A 33 3.329 1.279 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.066 3.687 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.745 2.310 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.558 2.020 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.813 2.346 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.941 3.672 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.967 2.178 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.948 0.842 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.273 2.240 2.236 1.00 0.00 H new ATOM 525 N GLY A 34 2.174 1.874 5.632 1.00 0.00 N ATOM 526 CA GLY A 34 2.203 1.645 7.050 1.00 0.00 C ATOM 527 C GLY A 34 3.358 0.784 7.428 1.00 0.00 C ATOM 528 O GLY A 34 3.882 0.865 8.526 1.00 0.00 O ATOM 0 H GLY A 34 1.930 1.056 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.268 2.598 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.273 1.171 7.365 1.00 0.00 H new ATOM 532 N GLY A 35 3.816 -0.002 6.489 1.00 0.00 N ATOM 533 CA GLY A 35 4.913 -0.873 6.758 1.00 0.00 C ATOM 534 C GLY A 35 4.569 -2.309 6.553 1.00 0.00 C ATOM 535 O GLY A 35 3.424 -2.639 6.467 1.00 0.00 O ATOM 0 H GLY A 35 3.445 -0.052 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.750 -0.608 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.245 -0.726 7.786 1.00 0.00 H new ATOM 539 N GLY A 36 5.586 -3.145 6.442 1.00 0.00 N ATOM 540 CA GLY A 36 5.380 -4.544 6.239 1.00 0.00 C ATOM 541 C GLY A 36 5.861 -5.376 7.387 1.00 0.00 C ATOM 542 O GLY A 36 5.377 -5.239 8.488 1.00 0.00 O ATOM 0 H GLY A 36 6.565 -2.864 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.318 -4.731 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.896 -4.854 5.331 1.00 0.00 H new ATOM 546 N ILE A 37 6.872 -6.192 7.130 1.00 0.00 N ATOM 547 CA ILE A 37 7.417 -7.142 8.127 1.00 0.00 C ATOM 548 C ILE A 37 8.047 -6.423 9.317 1.00 0.00 C ATOM 549 O ILE A 37 8.161 -6.973 10.402 1.00 0.00 O ATOM 550 CB ILE A 37 8.482 -8.113 7.516 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.839 -7.407 7.235 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.942 -8.765 6.246 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.810 -6.332 6.200 1.00 0.00 C ATOM 0 H ILE A 37 7.348 -6.225 6.228 1.00 0.00 H new ATOM 0 HA ILE A 37 6.559 -7.724 8.463 1.00 0.00 H new ATOM 0 HB ILE A 37 8.675 -8.886 8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.203 -6.977 8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.563 -8.162 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.695 -9.437 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.041 -9.331 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.704 -7.993 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.808 -5.910 6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.483 -6.752 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.118 -5.549 6.508 1.00 0.00 H new ATOM 565 N ASP A 38 8.462 -5.192 9.081 1.00 0.00 N ATOM 566 CA ASP A 38 9.099 -4.370 10.089 1.00 0.00 C ATOM 567 C ASP A 38 8.088 -3.899 11.123 1.00 0.00 C ATOM 568 O ASP A 38 8.443 -3.503 12.231 1.00 0.00 O ATOM 569 CB ASP A 38 9.756 -3.191 9.381 1.00 0.00 C ATOM 570 CG ASP A 38 10.436 -2.201 10.284 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.468 -2.525 10.871 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.987 -1.046 10.336 1.00 0.00 O ATOM 0 H ASP A 38 8.365 -4.732 8.176 1.00 0.00 H new ATOM 0 HA ASP A 38 9.852 -4.947 10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.489 -3.576 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.997 -2.667 8.800 1.00 0.00 H new ATOM 577 N GLN A 39 6.826 -3.979 10.767 1.00 0.00 N ATOM 578 CA GLN A 39 5.757 -3.498 11.652 1.00 0.00 C ATOM 579 C GLN A 39 5.088 -4.691 12.281 1.00 0.00 C ATOM 580 O GLN A 39 5.296 -5.817 11.825 1.00 0.00 O ATOM 581 CB GLN A 39 4.717 -2.714 10.856 1.00 0.00 C ATOM 582 CG GLN A 39 5.289 -1.923 9.754 1.00 0.00 C ATOM 583 CD GLN A 39 6.402 -1.004 10.166 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.381 -0.949 9.323 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.429 -0.445 11.259 1.00 0.00 N flip ATOM 0 H GLN A 39 6.503 -4.367 9.881 1.00 0.00 H new ATOM 0 HA GLN A 39 6.185 -2.845 12.412 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.983 -3.410 10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.183 -2.046 11.532 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.661 -2.604 8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.496 -1.332 9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.630 -0.518 11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.250 0.093 11.537 1.00 0.00 H new ATOM 594 N ASP A 40 4.289 -4.480 13.299 1.00 0.00 N ATOM 595 CA ASP A 40 3.621 -5.600 13.909 1.00 0.00 C ATOM 596 C ASP A 40 2.178 -5.579 13.529 1.00 0.00 C ATOM 597 O ASP A 40 1.476 -4.619 13.843 1.00 0.00 O ATOM 598 CB ASP A 40 3.684 -5.597 15.411 1.00 0.00 C ATOM 599 CG ASP A 40 3.516 -6.994 15.950 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.371 -7.419 16.204 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.530 -7.709 16.102 1.00 0.00 O ATOM 0 H ASP A 40 4.090 -3.569 13.712 1.00 0.00 H new ATOM 0 HA ASP A 40 4.138 -6.490 13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.639 -5.187 15.740 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.904 -4.950 15.812 1.00 0.00 H new ATOM 606 N PRO A 41 1.694 -6.636 12.893 1.00 0.00 N ATOM 607 CA PRO A 41 0.319 -6.720 12.438 1.00 0.00 C ATOM 608 C PRO A 41 -0.704 -6.539 13.564 1.00 0.00 C ATOM 609 O PRO A 41 -1.766 -5.966 13.359 1.00 0.00 O ATOM 610 CB PRO A 41 0.212 -8.115 11.810 1.00 0.00 C ATOM 611 CG PRO A 41 1.444 -8.846 12.199 1.00 0.00 C ATOM 612 CD PRO A 41 2.464 -7.821 12.532 1.00 0.00 C ATOM 0 HA PRO A 41 0.089 -5.917 11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.677 -8.635 12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.127 -8.047 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.255 -9.495 13.054 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.788 -9.484 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.099 -8.147 13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.119 -7.624 11.684 1.00 0.00 H new ATOM 620 N SER A 42 -0.327 -6.938 14.767 1.00 0.00 N ATOM 621 CA SER A 42 -1.216 -6.886 15.919 1.00 0.00 C ATOM 622 C SER A 42 -1.569 -5.438 16.298 1.00 0.00 C ATOM 623 O SER A 42 -2.637 -5.169 16.850 1.00 0.00 O ATOM 624 CB SER A 42 -0.531 -7.549 17.095 1.00 0.00 C ATOM 625 OG SER A 42 0.055 -8.791 16.704 1.00 0.00 O ATOM 0 H SER A 42 0.601 -7.307 14.974 1.00 0.00 H new ATOM 0 HA SER A 42 -2.140 -7.405 15.662 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.238 -6.888 17.494 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.252 -7.717 17.895 1.00 0.00 H new ATOM 0 HG SER A 42 0.981 -8.641 16.419 1.00 0.00 H new ATOM 631 N GLN A 43 -0.679 -4.521 15.979 1.00 0.00 N ATOM 632 CA GLN A 43 -0.850 -3.133 16.357 1.00 0.00 C ATOM 633 C GLN A 43 -0.982 -2.268 15.135 1.00 0.00 C ATOM 634 O GLN A 43 -0.938 -1.052 15.210 1.00 0.00 O ATOM 635 CB GLN A 43 0.333 -2.697 17.215 1.00 0.00 C ATOM 636 CG GLN A 43 1.686 -2.776 16.553 1.00 0.00 C ATOM 637 CD GLN A 43 2.747 -3.240 17.509 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.406 -4.201 18.320 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.899 -2.820 17.436 1.00 0.00 N flip ATOM 0 H GLN A 43 0.175 -4.713 15.456 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.766 -3.023 16.938 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.166 -1.669 17.536 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.352 -3.313 18.114 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.637 -3.459 15.705 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.955 -1.796 16.158 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.127 -2.066 16.788 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.628 -3.226 18.023 1.00 0.00 H new ATOM 648 N ASN A 44 -1.164 -2.905 14.018 1.00 0.00 N ATOM 649 CA ASN A 44 -1.273 -2.192 12.761 1.00 0.00 C ATOM 650 C ASN A 44 -2.682 -2.092 12.237 1.00 0.00 C ATOM 651 O ASN A 44 -3.460 -3.012 12.381 1.00 0.00 O ATOM 652 CB ASN A 44 -0.305 -2.708 11.720 1.00 0.00 C ATOM 653 CG ASN A 44 1.034 -1.984 11.833 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.441 -1.552 12.910 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.714 -1.832 10.748 1.00 0.00 N ATOM 0 H ASN A 44 -1.242 -3.919 13.941 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.979 -1.167 12.987 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.158 -3.780 11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.721 -2.562 10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.610 -1.345 10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.356 -2.199 9.866 1.00 0.00 H new ATOM 662 N PRO A 45 -3.005 -0.972 11.569 1.00 0.00 N ATOM 663 CA PRO A 45 -4.376 -0.641 11.144 1.00 0.00 C ATOM 664 C PRO A 45 -4.935 -1.584 10.082 1.00 0.00 C ATOM 665 O PRO A 45 -6.080 -2.029 10.153 1.00 0.00 O ATOM 666 CB PRO A 45 -4.217 0.770 10.555 1.00 0.00 C ATOM 667 CG PRO A 45 -2.793 0.840 10.129 1.00 0.00 C ATOM 668 CD PRO A 45 -2.040 0.071 11.150 1.00 0.00 C ATOM 0 HA PRO A 45 -5.078 -0.720 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.891 0.926 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.448 1.537 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.658 0.412 9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.447 1.873 10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.131 -0.365 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.739 0.701 11.987 1.00 0.00 H new ATOM 676 N PHE A 46 -4.131 -1.895 9.100 1.00 0.00 N ATOM 677 CA PHE A 46 -4.596 -2.706 7.997 1.00 0.00 C ATOM 678 C PHE A 46 -3.932 -4.046 8.028 1.00 0.00 C ATOM 679 O PHE A 46 -3.984 -4.802 7.067 1.00 0.00 O ATOM 680 CB PHE A 46 -4.335 -1.983 6.673 1.00 0.00 C ATOM 681 CG PHE A 46 -4.895 -0.593 6.670 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.255 -0.373 6.511 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.066 0.492 6.874 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.765 0.909 6.549 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.574 1.768 6.922 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.916 1.976 6.760 1.00 0.00 C ATOM 0 H PHE A 46 -3.156 -1.603 9.037 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.671 -2.864 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.262 -1.941 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.777 -2.553 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.919 -1.210 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.004 0.336 6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.823 1.076 6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.914 2.606 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.313 2.980 6.797 1.00 0.00 H new ATOM 696 N SER A 47 -3.323 -4.345 9.147 1.00 0.00 N ATOM 697 CA SER A 47 -2.631 -5.583 9.293 1.00 0.00 C ATOM 698 C SER A 47 -3.210 -6.355 10.481 1.00 0.00 C ATOM 699 O SER A 47 -2.882 -7.501 10.701 1.00 0.00 O ATOM 700 CB SER A 47 -1.164 -5.273 9.509 1.00 0.00 C ATOM 701 OG SER A 47 -0.316 -6.390 9.276 1.00 0.00 O ATOM 0 H SER A 47 -3.297 -3.741 9.968 1.00 0.00 H new ATOM 0 HA SER A 47 -2.745 -6.202 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.870 -4.458 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.020 -4.922 10.531 1.00 0.00 H new ATOM 0 HG SER A 47 0.617 -6.130 9.429 1.00 0.00 H new ATOM 782 N LYS A 53 1.972 -9.868 6.770 1.00 0.00 N ATOM 783 CA LYS A 53 2.837 -8.718 6.634 1.00 0.00 C ATOM 784 C LYS A 53 2.890 -8.302 5.181 1.00 0.00 C ATOM 785 O LYS A 53 2.514 -9.058 4.278 1.00 0.00 O ATOM 786 CB LYS A 53 4.277 -9.031 7.069 1.00 0.00 C ATOM 787 CG LYS A 53 4.476 -9.534 8.494 1.00 0.00 C ATOM 788 CD LYS A 53 4.281 -8.464 9.527 1.00 0.00 C ATOM 789 CE LYS A 53 5.188 -8.728 10.739 1.00 0.00 C ATOM 790 NZ LYS A 53 5.021 -10.085 11.303 1.00 0.00 N ATOM 0 HA LYS A 53 2.431 -7.930 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.682 -9.778 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.873 -8.127 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.778 -10.348 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.481 -9.946 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.509 -7.488 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.238 -8.438 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.228 -8.589 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.975 -7.990 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.512 -10.143 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.009 -10.282 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.425 -10.785 10.649 1.00 0.00 H new ATOM 804 N GLY A 54 3.393 -7.136 4.967 1.00 0.00 N ATOM 805 CA GLY A 54 3.555 -6.606 3.646 1.00 0.00 C ATOM 806 C GLY A 54 3.320 -5.150 3.706 1.00 0.00 C ATOM 807 O GLY A 54 2.774 -4.690 4.664 1.00 0.00 O ATOM 0 H GLY A 54 3.709 -6.512 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.557 -6.815 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.853 -7.077 2.958 1.00 0.00 H new ATOM 811 N ILE A 55 3.786 -4.425 2.762 1.00 0.00 N ATOM 812 CA ILE A 55 3.578 -3.014 2.745 1.00 0.00 C ATOM 813 C ILE A 55 2.175 -2.717 2.273 1.00 0.00 C ATOM 814 O ILE A 55 1.763 -3.149 1.210 1.00 0.00 O ATOM 815 CB ILE A 55 4.610 -2.301 1.841 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.030 -2.498 2.377 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.286 -0.821 1.719 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.293 -1.843 3.691 1.00 0.00 C ATOM 0 H ILE A 55 4.324 -4.785 1.974 1.00 0.00 H new ATOM 0 HA ILE A 55 3.711 -2.635 3.758 1.00 0.00 H new ATOM 0 HB ILE A 55 4.555 -2.747 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.223 -3.566 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.738 -2.111 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.024 -0.338 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.294 -0.700 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.307 -0.361 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.322 -2.035 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.136 -0.768 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.613 -2.247 4.441 1.00 0.00 H new ATOM 830 N TYR A 56 1.444 -2.037 3.089 1.00 0.00 N ATOM 831 CA TYR A 56 0.122 -1.629 2.767 1.00 0.00 C ATOM 832 C TYR A 56 0.026 -0.157 2.864 1.00 0.00 C ATOM 833 O TYR A 56 0.784 0.481 3.616 1.00 0.00 O ATOM 834 CB TYR A 56 -0.926 -2.322 3.648 1.00 0.00 C ATOM 835 CG TYR A 56 -0.420 -2.597 5.019 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.313 -1.602 5.977 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.014 -3.856 5.328 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.208 -1.882 7.211 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.538 -4.146 6.538 1.00 0.00 C ATOM 840 CZ TYR A 56 0.632 -3.160 7.485 1.00 0.00 C ATOM 841 OH TYR A 56 1.169 -3.446 8.696 1.00 0.00 O ATOM 0 H TYR A 56 1.755 -1.744 4.015 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.094 -1.933 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.816 -1.696 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.228 -3.259 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.643 -0.599 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.064 -4.637 4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.285 -1.108 7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.880 -5.147 6.758 1.00 0.00 H new ATOM 0 HH TYR A 56 1.417 -4.394 8.728 1.00 0.00 H new ATOM 851 N VAL A 57 -0.852 0.366 2.104 1.00 0.00 N ATOM 852 CA VAL A 57 -1.080 1.763 2.027 1.00 0.00 C ATOM 853 C VAL A 57 -1.962 2.234 3.193 1.00 0.00 C ATOM 854 O VAL A 57 -2.992 1.604 3.514 1.00 0.00 O ATOM 855 CB VAL A 57 -1.715 2.107 0.661 1.00 0.00 C ATOM 856 CG1 VAL A 57 -3.018 1.407 0.470 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.855 3.582 0.466 1.00 0.00 C ATOM 0 H VAL A 57 -1.458 -0.182 1.493 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.129 2.289 2.108 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.032 1.745 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.435 1.673 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.862 0.329 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.711 1.707 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.306 3.779 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.490 3.994 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.872 4.050 0.512 1.00 0.00 H new ATOM 867 N THR A 58 -1.551 3.293 3.838 1.00 0.00 N ATOM 868 CA THR A 58 -2.294 3.833 4.941 1.00 0.00 C ATOM 869 C THR A 58 -2.990 5.126 4.539 1.00 0.00 C ATOM 870 O THR A 58 -4.033 5.487 5.079 1.00 0.00 O ATOM 871 CB THR A 58 -1.372 4.066 6.132 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.192 4.750 5.684 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.996 2.743 6.793 1.00 0.00 C ATOM 0 H THR A 58 -0.696 3.802 3.614 1.00 0.00 H new ATOM 0 HA THR A 58 -3.060 3.113 5.230 1.00 0.00 H new ATOM 0 HB THR A 58 -1.891 4.675 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.405 4.905 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.338 2.934 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.899 2.241 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.483 2.108 6.071 1.00 0.00 H new ATOM 881 N ARG A 59 -2.416 5.804 3.578 1.00 0.00 N ATOM 882 CA ARG A 59 -2.971 7.016 3.054 1.00 0.00 C ATOM 883 C ARG A 59 -2.848 7.034 1.567 1.00 0.00 C ATOM 884 O ARG A 59 -1.801 6.732 1.039 1.00 0.00 O ATOM 885 CB ARG A 59 -2.273 8.243 3.625 1.00 0.00 C ATOM 886 CG ARG A 59 -2.923 8.840 4.852 1.00 0.00 C ATOM 887 CD ARG A 59 -2.163 10.066 5.293 1.00 0.00 C ATOM 888 NE ARG A 59 -2.912 10.891 6.245 1.00 0.00 N ATOM 889 CZ ARG A 59 -2.455 12.037 6.774 1.00 0.00 C ATOM 890 NH1 ARG A 59 -1.199 12.410 6.566 1.00 0.00 N ATOM 891 NH2 ARG A 59 -3.250 12.798 7.510 1.00 0.00 N ATOM 0 H ARG A 59 -1.541 5.523 3.136 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.021 7.048 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.246 7.975 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.226 9.008 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.958 9.103 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.943 8.105 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.222 9.759 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.913 10.666 4.418 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.841 10.574 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.580 11.826 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.852 13.281 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.215 12.515 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.897 13.668 7.909 1.00 0.00 H new ATOM 905 N VAL A 60 -3.916 7.344 0.903 1.00 0.00 N ATOM 906 CA VAL A 60 -3.913 7.510 -0.524 1.00 0.00 C ATOM 907 C VAL A 60 -4.325 8.930 -0.817 1.00 0.00 C ATOM 908 O VAL A 60 -5.163 9.493 -0.102 1.00 0.00 O ATOM 909 CB VAL A 60 -4.855 6.492 -1.270 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.994 6.817 -2.726 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.337 5.098 -1.135 1.00 0.00 C ATOM 0 H VAL A 60 -4.827 7.492 1.337 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.910 7.303 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.836 6.573 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.652 6.089 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.417 7.815 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.014 6.784 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.002 4.410 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.339 5.037 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.291 4.827 -0.080 1.00 0.00 H new ATOM 921 N SER A 61 -3.689 9.526 -1.792 1.00 0.00 N ATOM 922 CA SER A 61 -4.010 10.857 -2.218 1.00 0.00 C ATOM 923 C SER A 61 -5.423 10.844 -2.758 1.00 0.00 C ATOM 924 O SER A 61 -5.679 10.196 -3.751 1.00 0.00 O ATOM 925 CB SER A 61 -3.078 11.253 -3.340 1.00 0.00 C ATOM 926 OG SER A 61 -3.117 12.642 -3.593 1.00 0.00 O ATOM 0 H SER A 61 -2.927 9.094 -2.315 1.00 0.00 H new ATOM 0 HA SER A 61 -3.913 11.556 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.060 10.959 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.350 10.711 -4.246 1.00 0.00 H new ATOM 0 HG SER A 61 -2.321 12.904 -4.101 1.00 0.00 H new ATOM 932 N GLU A 62 -6.307 11.578 -2.115 1.00 0.00 N ATOM 933 CA GLU A 62 -7.737 11.631 -2.468 1.00 0.00 C ATOM 934 C GLU A 62 -7.991 12.500 -3.691 1.00 0.00 C ATOM 935 O GLU A 62 -9.135 12.757 -4.082 1.00 0.00 O ATOM 936 CB GLU A 62 -8.498 12.195 -1.310 1.00 0.00 C ATOM 937 CG GLU A 62 -8.025 13.570 -0.921 1.00 0.00 C ATOM 938 CD GLU A 62 -8.746 14.121 0.273 1.00 0.00 C ATOM 939 OE1 GLU A 62 -9.916 14.535 0.146 1.00 0.00 O ATOM 940 OE2 GLU A 62 -8.150 14.140 1.381 1.00 0.00 O ATOM 0 H GLU A 62 -6.063 12.168 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.064 10.618 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.558 12.237 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.400 11.526 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.956 13.534 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.160 14.247 -1.765 1.00 0.00 H new ATOM 947 N GLY A 63 -6.951 12.979 -4.234 1.00 0.00 N ATOM 948 CA GLY A 63 -7.020 13.784 -5.398 1.00 0.00 C ATOM 949 C GLY A 63 -5.762 13.630 -6.172 1.00 0.00 C ATOM 950 O GLY A 63 -5.320 14.544 -6.871 1.00 0.00 O ATOM 0 H GLY A 63 -6.005 12.826 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.875 13.491 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.167 14.829 -5.124 1.00 0.00 H new ATOM 954 N GLY A 64 -5.175 12.458 -6.049 1.00 0.00 N ATOM 955 CA GLY A 64 -3.929 12.203 -6.678 1.00 0.00 C ATOM 956 C GLY A 64 -3.934 10.943 -7.514 1.00 0.00 C ATOM 957 O GLY A 64 -4.930 10.205 -7.535 1.00 0.00 O ATOM 0 H GLY A 64 -5.554 11.676 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.668 13.051 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.154 12.123 -5.916 1.00 0.00 H new ATOM 961 N PRO A 65 -2.773 10.614 -8.105 1.00 0.00 N ATOM 962 CA PRO A 65 -2.620 9.532 -9.091 1.00 0.00 C ATOM 963 C PRO A 65 -2.923 8.172 -8.517 1.00 0.00 C ATOM 964 O PRO A 65 -3.353 7.262 -9.236 1.00 0.00 O ATOM 965 CB PRO A 65 -1.141 9.591 -9.467 1.00 0.00 C ATOM 966 CG PRO A 65 -0.476 10.313 -8.342 1.00 0.00 C ATOM 967 CD PRO A 65 -1.498 11.254 -7.795 1.00 0.00 C ATOM 0 HA PRO A 65 -3.308 9.666 -9.926 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.727 8.590 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.996 10.116 -10.411 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.139 9.615 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.404 10.853 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.374 11.397 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.423 12.238 -8.258 1.00 0.00 H new ATOM 975 N ALA A 66 -2.686 8.049 -7.234 1.00 0.00 N ATOM 976 CA ALA A 66 -2.888 6.836 -6.505 1.00 0.00 C ATOM 977 C ALA A 66 -4.328 6.354 -6.613 1.00 0.00 C ATOM 978 O ALA A 66 -4.575 5.264 -7.150 1.00 0.00 O ATOM 979 CB ALA A 66 -2.454 7.029 -5.072 1.00 0.00 C ATOM 0 H ALA A 66 -2.338 8.816 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.272 6.051 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.609 6.104 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.398 7.296 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.042 7.827 -4.618 1.00 0.00 H new ATOM 985 N GLU A 67 -5.279 7.164 -6.183 1.00 0.00 N ATOM 986 CA GLU A 67 -6.667 6.738 -6.255 1.00 0.00 C ATOM 987 C GLU A 67 -7.186 6.779 -7.683 1.00 0.00 C ATOM 988 O GLU A 67 -8.030 5.960 -8.059 1.00 0.00 O ATOM 989 CB GLU A 67 -7.588 7.520 -5.341 1.00 0.00 C ATOM 990 CG GLU A 67 -7.630 9.006 -5.585 1.00 0.00 C ATOM 991 CD GLU A 67 -8.963 9.558 -5.185 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.307 9.548 -3.998 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.731 9.938 -6.079 1.00 0.00 O ATOM 0 H GLU A 67 -5.125 8.093 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.674 5.707 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.598 7.123 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.282 7.347 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.840 9.498 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.443 9.214 -6.638 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.666 7.727 -8.473 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.014 7.856 -9.882 1.00 0.00 C ATOM 1002 C ILE A 68 -6.762 6.537 -10.619 1.00 0.00 C ATOM 1003 O ILE A 68 -7.584 6.097 -11.440 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.229 9.034 -10.552 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.709 10.401 -10.022 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.276 8.989 -12.079 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.183 10.691 -10.236 1.00 0.00 C ATOM 0 H ILE A 68 -5.994 8.422 -8.148 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.077 8.088 -9.950 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.184 8.905 -10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.495 10.455 -8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.126 11.186 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.715 9.830 -12.485 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.835 8.056 -12.429 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.312 9.049 -12.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.423 11.674 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.406 10.675 -11.303 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.780 9.933 -9.729 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.653 5.897 -10.299 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.337 4.618 -10.878 1.00 0.00 C ATOM 1021 C ALA A 69 -6.166 3.507 -10.251 1.00 0.00 C ATOM 1022 O ALA A 69 -6.854 2.765 -10.955 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.889 4.319 -10.719 1.00 0.00 C ATOM 0 H ALA A 69 -4.959 6.248 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.578 4.667 -11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.667 3.348 -11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.301 5.089 -11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.636 4.300 -9.659 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.093 3.382 -8.942 1.00 0.00 N ATOM 1030 CA GLY A 70 -6.868 2.354 -8.272 1.00 0.00 C ATOM 1031 C GLY A 70 -6.257 1.903 -6.966 1.00 0.00 C ATOM 1032 O GLY A 70 -6.414 0.755 -6.562 1.00 0.00 O ATOM 0 H GLY A 70 -5.520 3.964 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.873 2.731 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.968 1.494 -8.935 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.538 2.784 -6.326 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.942 2.489 -5.043 1.00 0.00 C ATOM 1038 C LEU A 71 -5.854 2.967 -3.952 1.00 0.00 C ATOM 1039 O LEU A 71 -6.167 4.148 -3.888 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.547 3.127 -4.976 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.685 2.964 -3.717 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.907 1.604 -3.070 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.270 2.978 -4.186 1.00 0.00 C ATOM 0 H LEU A 71 -5.347 3.724 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.814 1.415 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.972 2.736 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.672 4.196 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.929 3.749 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.283 1.518 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.955 1.501 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.642 0.817 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.602 2.865 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.110 2.155 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.062 3.924 -4.687 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.335 2.048 -3.142 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.239 2.371 -2.067 1.00 0.00 C ATOM 1057 C GLN A 72 -6.568 2.064 -0.767 1.00 0.00 C ATOM 1058 O GLN A 72 -5.813 1.116 -0.671 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.531 1.554 -2.177 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.245 1.714 -3.499 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.760 3.114 -3.734 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.913 3.972 -4.204 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.907 3.436 -3.418 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.108 1.056 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.495 3.429 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.297 0.500 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.205 1.849 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.564 1.444 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.081 1.015 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.550 2.735 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.213 4.403 -3.524 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.824 2.873 0.213 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.270 2.685 1.547 1.00 0.00 C ATOM 1074 C ILE A 73 -6.600 1.278 2.090 1.00 0.00 C ATOM 1075 O ILE A 73 -7.761 0.832 2.033 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.785 3.778 2.519 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.314 5.154 2.051 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.313 3.514 3.927 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.759 6.297 2.927 1.00 0.00 C ATOM 0 H ILE A 73 -7.425 3.692 0.125 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.186 2.776 1.474 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.875 3.754 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.225 5.154 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.680 5.325 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.688 4.295 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.686 2.546 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.223 3.510 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.380 7.235 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.848 6.328 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.371 6.155 3.936 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.579 0.578 2.573 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.769 -0.757 3.079 1.00 0.00 C ATOM 1093 C GLY A 74 -5.275 -1.823 2.119 1.00 0.00 C ATOM 1094 O GLY A 74 -5.291 -3.013 2.448 1.00 0.00 O ATOM 0 H GLY A 74 -4.619 0.920 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.245 -0.859 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.828 -0.918 3.280 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.825 -1.410 0.946 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.347 -2.356 -0.058 1.00 0.00 C ATOM 1100 C ASP A 75 -2.920 -2.779 0.244 1.00 0.00 C ATOM 1101 O ASP A 75 -2.065 -1.926 0.526 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.441 -1.772 -1.492 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.867 -1.660 -2.044 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.752 -2.449 -1.628 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -6.131 -0.785 -2.906 1.00 0.00 O ATOM 0 H ASP A 75 -4.779 -0.431 0.663 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.995 -3.232 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.985 -0.782 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.854 -2.398 -2.164 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.668 -4.091 0.244 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.317 -4.622 0.431 1.00 0.00 C ATOM 1112 C LYS A 76 -0.627 -4.619 -0.922 1.00 0.00 C ATOM 1113 O LYS A 76 -1.058 -5.337 -1.845 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.292 -6.090 0.984 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.713 -6.347 2.450 1.00 0.00 C ATOM 1116 CD LYS A 76 -3.196 -6.138 2.715 1.00 0.00 C ATOM 1117 CE LYS A 76 -3.596 -6.608 4.129 1.00 0.00 C ATOM 1118 NZ LYS A 76 -3.485 -8.093 4.316 1.00 0.00 N ATOM 0 H LYS A 76 -3.385 -4.806 0.116 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.817 -3.992 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.938 -6.693 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.278 -6.470 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.447 -7.369 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.142 -5.687 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.441 -5.082 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.779 -6.683 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.963 -6.108 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.622 -6.299 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.939 -8.365 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.957 -8.579 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.482 -8.366 4.340 1.00 0.00 H new ATOM 1132 N ILE A 77 0.418 -3.850 -1.058 1.00 0.00 N ATOM 1133 CA ILE A 77 1.099 -3.739 -2.320 1.00 0.00 C ATOM 1134 C ILE A 77 2.129 -4.862 -2.425 1.00 0.00 C ATOM 1135 O ILE A 77 2.984 -5.007 -1.562 1.00 0.00 O ATOM 1136 CB ILE A 77 1.839 -2.373 -2.546 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.974 -1.109 -2.271 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.317 -2.319 -3.968 1.00 0.00 C ATOM 1139 CD1 ILE A 77 0.769 -0.760 -0.815 1.00 0.00 C ATOM 0 H ILE A 77 0.819 -3.288 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 77 0.325 -3.805 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 77 2.655 -2.348 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.439 -0.258 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.003 -1.252 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.834 -1.375 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.001 -3.147 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.464 -2.395 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.153 0.136 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.271 -1.587 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.735 -0.577 -0.345 1.00 0.00 H new ATOM 1151 N MET A 78 2.045 -5.653 -3.473 1.00 0.00 N ATOM 1152 CA MET A 78 2.956 -6.778 -3.649 1.00 0.00 C ATOM 1153 C MET A 78 4.041 -6.451 -4.664 1.00 0.00 C ATOM 1154 O MET A 78 5.121 -7.055 -4.668 1.00 0.00 O ATOM 1155 CB MET A 78 2.205 -8.023 -4.137 1.00 0.00 C ATOM 1156 CG MET A 78 1.141 -8.625 -3.212 1.00 0.00 C ATOM 1157 SD MET A 78 1.774 -9.330 -1.655 1.00 0.00 S ATOM 1158 CE MET A 78 1.787 -7.902 -0.566 1.00 0.00 C ATOM 0 H MET A 78 1.358 -5.543 -4.219 1.00 0.00 H new ATOM 0 HA MET A 78 3.407 -6.974 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.724 -7.775 -5.083 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.942 -8.798 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.412 -7.851 -2.972 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.610 -9.406 -3.756 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.642 -8.228 0.464 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.744 -7.388 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.983 -7.222 -0.848 1.00 0.00 H new ATOM 1168 N GLN A 79 3.790 -5.475 -5.475 1.00 0.00 N ATOM 1169 CA GLN A 79 4.647 -5.182 -6.590 1.00 0.00 C ATOM 1170 C GLN A 79 4.632 -3.690 -6.876 1.00 0.00 C ATOM 1171 O GLN A 79 3.572 -3.093 -6.871 1.00 0.00 O ATOM 1172 CB GLN A 79 4.124 -5.976 -7.796 1.00 0.00 C ATOM 1173 CG GLN A 79 4.819 -5.670 -9.088 1.00 0.00 C ATOM 1174 CD GLN A 79 6.278 -5.872 -8.995 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.973 -5.020 -9.623 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 6.777 -6.749 -8.288 1.00 0.00 N flip ATOM 0 H GLN A 79 2.985 -4.854 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 79 5.677 -5.466 -6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.226 -7.041 -7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.059 -5.775 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.415 -6.306 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.614 -4.638 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.177 -7.414 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.790 -6.810 -8.190 1.00 0.00 H new ATOM 1185 N VAL A 80 5.812 -3.093 -7.100 1.00 0.00 N ATOM 1186 CA VAL A 80 5.943 -1.655 -7.365 1.00 0.00 C ATOM 1187 C VAL A 80 7.029 -1.360 -8.408 1.00 0.00 C ATOM 1188 O VAL A 80 8.229 -1.521 -8.147 1.00 0.00 O ATOM 1189 CB VAL A 80 6.258 -0.827 -6.068 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.618 0.625 -6.376 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.100 -0.874 -5.118 1.00 0.00 C ATOM 0 H VAL A 80 6.701 -3.594 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 80 4.972 -1.347 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 80 7.129 -1.290 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.827 1.153 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.500 0.653 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.784 1.106 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.338 -0.295 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.217 -0.453 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.902 -1.908 -4.837 1.00 0.00 H new ATOM 1201 N ASN A 81 6.591 -0.956 -9.585 1.00 0.00 N ATOM 1202 CA ASN A 81 7.438 -0.458 -10.684 1.00 0.00 C ATOM 1203 C ASN A 81 8.540 -1.450 -11.079 1.00 0.00 C ATOM 1204 O ASN A 81 9.653 -1.070 -11.395 1.00 0.00 O ATOM 1205 CB ASN A 81 8.039 0.882 -10.275 1.00 0.00 C ATOM 1206 CG ASN A 81 8.443 1.789 -11.437 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.732 1.712 -12.532 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.381 2.568 -11.331 1.00 0.00 N flip ATOM 0 H ASN A 81 5.599 -0.961 -9.824 1.00 0.00 H new ATOM 0 HA ASN A 81 6.810 -0.335 -11.567 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.318 1.412 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.917 0.696 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.917 2.605 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.626 3.180 -12.109 1.00 0.00 H new ATOM 1215 N GLY A 82 8.194 -2.697 -11.085 1.00 0.00 N ATOM 1216 CA GLY A 82 9.138 -3.754 -11.428 1.00 0.00 C ATOM 1217 C GLY A 82 9.978 -4.258 -10.244 1.00 0.00 C ATOM 1218 O GLY A 82 10.860 -5.091 -10.405 1.00 0.00 O ATOM 0 H GLY A 82 7.257 -3.028 -10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.587 -4.594 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.809 -3.388 -12.205 1.00 0.00 H new ATOM 1222 N TRP A 83 9.689 -3.763 -9.070 1.00 0.00 N ATOM 1223 CA TRP A 83 10.357 -4.205 -7.849 1.00 0.00 C ATOM 1224 C TRP A 83 9.324 -4.853 -6.920 1.00 0.00 C ATOM 1225 O TRP A 83 8.155 -4.454 -6.925 1.00 0.00 O ATOM 1226 CB TRP A 83 11.117 -3.009 -7.197 1.00 0.00 C ATOM 1227 CG TRP A 83 10.742 -2.643 -5.778 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.546 -2.159 -5.345 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.593 -2.673 -4.636 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.582 -1.929 -3.999 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.832 -2.224 -3.541 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.919 -3.048 -4.424 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.349 -2.132 -2.268 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.438 -2.956 -3.150 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.654 -2.501 -2.085 1.00 0.00 C ATOM 0 H TRP A 83 8.985 -3.041 -8.920 1.00 0.00 H new ATOM 0 HA TRP A 83 11.110 -4.961 -8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.183 -3.235 -7.217 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.965 -2.130 -7.824 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.688 -1.982 -5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.804 -1.593 -3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.528 -3.404 -5.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.746 -1.781 -1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.465 -3.239 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.087 -2.440 -1.098 1.00 0.00 H new ATOM 1246 N ASP A 84 9.739 -5.820 -6.147 1.00 0.00 N ATOM 1247 CA ASP A 84 8.828 -6.563 -5.276 1.00 0.00 C ATOM 1248 C ASP A 84 8.591 -5.823 -3.987 1.00 0.00 C ATOM 1249 O ASP A 84 9.527 -5.520 -3.260 1.00 0.00 O ATOM 1250 CB ASP A 84 9.383 -7.946 -4.940 1.00 0.00 C ATOM 1251 CG ASP A 84 9.489 -8.879 -6.114 1.00 0.00 C ATOM 1252 OD1 ASP A 84 10.493 -8.815 -6.872 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.591 -9.710 -6.298 1.00 0.00 O ATOM 0 H ASP A 84 10.711 -6.125 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 84 7.890 -6.670 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.371 -7.828 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.746 -8.405 -4.184 1.00 0.00 H new ATOM 1258 N MET A 85 7.344 -5.536 -3.698 1.00 0.00 N ATOM 1259 CA MET A 85 6.992 -4.859 -2.446 1.00 0.00 C ATOM 1260 C MET A 85 6.271 -5.834 -1.487 1.00 0.00 C ATOM 1261 O MET A 85 5.939 -5.504 -0.347 1.00 0.00 O ATOM 1262 CB MET A 85 6.164 -3.571 -2.719 1.00 0.00 C ATOM 1263 CG MET A 85 5.778 -2.799 -1.449 1.00 0.00 C ATOM 1264 SD MET A 85 5.251 -1.090 -1.720 1.00 0.00 S ATOM 1265 CE MET A 85 6.804 -0.314 -2.157 1.00 0.00 C ATOM 0 H MET A 85 6.551 -5.754 -4.301 1.00 0.00 H new ATOM 0 HA MET A 85 7.909 -4.539 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.738 -2.913 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.256 -3.842 -3.258 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.973 -3.336 -0.947 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.631 -2.796 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.705 0.768 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.586 -0.659 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.068 -0.579 -3.181 1.00 0.00 H new ATOM 1275 N THR A 86 6.088 -7.056 -1.955 1.00 0.00 N ATOM 1276 CA THR A 86 5.417 -8.105 -1.193 1.00 0.00 C ATOM 1277 C THR A 86 6.117 -8.404 0.153 1.00 0.00 C ATOM 1278 O THR A 86 5.456 -8.672 1.160 1.00 0.00 O ATOM 1279 CB THR A 86 5.225 -9.401 -2.054 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.698 -10.486 -1.276 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.513 -9.821 -2.738 1.00 0.00 C ATOM 0 H THR A 86 6.401 -7.354 -2.879 1.00 0.00 H new ATOM 0 HA THR A 86 4.426 -7.727 -0.941 1.00 0.00 H new ATOM 0 HB THR A 86 4.497 -9.153 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.725 -10.397 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.336 -10.723 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.853 -9.021 -3.396 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.276 -10.021 -1.986 1.00 0.00 H new ATOM 1289 N MET A 87 7.423 -8.306 0.178 1.00 0.00 N ATOM 1290 CA MET A 87 8.187 -8.533 1.381 1.00 0.00 C ATOM 1291 C MET A 87 9.304 -7.526 1.437 1.00 0.00 C ATOM 1292 O MET A 87 10.332 -7.687 0.791 1.00 0.00 O ATOM 1293 CB MET A 87 8.720 -9.978 1.446 1.00 0.00 C ATOM 1294 CG MET A 87 9.562 -10.283 2.683 1.00 0.00 C ATOM 1295 SD MET A 87 10.041 -12.023 2.798 1.00 0.00 S ATOM 1296 CE MET A 87 11.067 -11.991 4.270 1.00 0.00 C ATOM 0 H MET A 87 7.988 -8.066 -0.637 1.00 0.00 H new ATOM 0 HA MET A 87 7.543 -8.405 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.875 -10.666 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.319 -10.172 0.556 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.460 -9.665 2.667 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.001 -10.006 3.575 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.441 -12.994 4.475 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.908 -11.316 4.113 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.476 -11.644 5.118 1.00 0.00 H new ATOM 1306 N VAL A 88 9.057 -6.449 2.138 1.00 0.00 N ATOM 1307 CA VAL A 88 9.999 -5.371 2.246 1.00 0.00 C ATOM 1308 C VAL A 88 9.666 -4.526 3.473 1.00 0.00 C ATOM 1309 O VAL A 88 8.502 -4.506 3.942 1.00 0.00 O ATOM 1310 CB VAL A 88 9.986 -4.502 0.950 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.627 -3.886 0.702 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.050 -3.443 0.993 1.00 0.00 C ATOM 0 H VAL A 88 8.190 -6.297 2.653 1.00 0.00 H new ATOM 0 HA VAL A 88 11.003 -5.780 2.362 1.00 0.00 H new ATOM 0 HB VAL A 88 10.204 -5.169 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.659 -3.289 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.884 -4.676 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.357 -3.249 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.015 -2.855 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.880 -2.791 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.029 -3.914 1.085 1.00 0.00 H new ATOM 1322 N THR A 89 10.677 -3.915 4.043 1.00 0.00 N ATOM 1323 CA THR A 89 10.533 -3.061 5.168 1.00 0.00 C ATOM 1324 C THR A 89 9.872 -1.780 4.790 1.00 0.00 C ATOM 1325 O THR A 89 9.865 -1.389 3.624 1.00 0.00 O ATOM 1326 CB THR A 89 11.894 -2.743 5.800 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.853 -2.432 4.774 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.374 -3.892 6.634 1.00 0.00 C ATOM 0 H THR A 89 11.640 -4.009 3.720 1.00 0.00 H new ATOM 0 HA THR A 89 9.912 -3.591 5.890 1.00 0.00 H new ATOM 0 HB THR A 89 11.780 -1.876 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.582 -3.087 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.341 -3.644 7.072 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.655 -4.090 7.429 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.476 -4.778 6.008 1.00 0.00 H new ATOM 1336 N HIS A 90 9.306 -1.140 5.778 1.00 0.00 N ATOM 1337 CA HIS A 90 8.707 0.165 5.619 1.00 0.00 C ATOM 1338 C HIS A 90 9.742 1.122 5.056 1.00 0.00 C ATOM 1339 O HIS A 90 9.463 1.845 4.140 1.00 0.00 O ATOM 1340 CB HIS A 90 8.218 0.661 6.983 1.00 0.00 C ATOM 1341 CG HIS A 90 7.524 1.995 6.995 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.164 2.145 7.077 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.023 3.243 6.918 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.880 3.434 7.026 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.974 4.152 6.946 1.00 0.00 N ATOM 0 H HIS A 90 9.245 -1.511 6.726 1.00 0.00 H new ATOM 0 HA HIS A 90 7.861 0.109 4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.536 -0.084 7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.074 0.714 7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.070 3.496 6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.880 3.842 7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.041 5.169 6.911 1.00 0.00 H new ATOM 1353 N ASP A 91 10.939 1.046 5.593 1.00 0.00 N ATOM 1354 CA ASP A 91 12.046 1.922 5.224 1.00 0.00 C ATOM 1355 C ASP A 91 12.406 1.771 3.761 1.00 0.00 C ATOM 1356 O ASP A 91 12.482 2.761 3.020 1.00 0.00 O ATOM 1357 CB ASP A 91 13.251 1.582 6.068 1.00 0.00 C ATOM 1358 CG ASP A 91 14.382 2.570 5.918 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.392 3.589 6.624 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.316 2.322 5.146 1.00 0.00 O ATOM 0 H ASP A 91 11.182 0.364 6.312 1.00 0.00 H new ATOM 0 HA ASP A 91 11.737 2.953 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.952 1.539 7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.607 0.588 5.797 1.00 0.00 H new ATOM 1365 N GLN A 92 12.575 0.528 3.332 1.00 0.00 N ATOM 1366 CA GLN A 92 12.946 0.251 1.952 1.00 0.00 C ATOM 1367 C GLN A 92 11.801 0.543 0.996 1.00 0.00 C ATOM 1368 O GLN A 92 12.014 0.953 -0.141 1.00 0.00 O ATOM 1369 CB GLN A 92 13.446 -1.186 1.778 1.00 0.00 C ATOM 1370 CG GLN A 92 14.963 -1.317 1.638 1.00 0.00 C ATOM 1371 CD GLN A 92 15.761 -0.852 2.846 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.872 -0.349 2.701 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.248 -1.053 4.033 1.00 0.00 N ATOM 0 H GLN A 92 12.462 -0.300 3.916 1.00 0.00 H new ATOM 0 HA GLN A 92 13.769 0.922 1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.121 -1.777 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.974 -1.617 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.206 -2.361 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.283 -0.745 0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.323 -1.473 4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.773 -0.790 4.867 1.00 0.00 H new ATOM 1382 N ALA A 93 10.595 0.353 1.464 1.00 0.00 N ATOM 1383 CA ALA A 93 9.426 0.608 0.663 1.00 0.00 C ATOM 1384 C ALA A 93 9.169 2.091 0.538 1.00 0.00 C ATOM 1385 O ALA A 93 8.809 2.568 -0.538 1.00 0.00 O ATOM 1386 CB ALA A 93 8.232 -0.078 1.245 1.00 0.00 C ATOM 0 H ALA A 93 10.396 0.019 2.407 1.00 0.00 H new ATOM 0 HA ALA A 93 9.607 0.208 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.358 0.126 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.410 -1.153 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.056 0.292 2.255 1.00 0.00 H new ATOM 1392 N ARG A 94 9.357 2.818 1.647 1.00 0.00 N ATOM 1393 CA ARG A 94 9.185 4.273 1.690 1.00 0.00 C ATOM 1394 C ARG A 94 9.994 4.943 0.617 1.00 0.00 C ATOM 1395 O ARG A 94 9.466 5.697 -0.194 1.00 0.00 O ATOM 1396 CB ARG A 94 9.549 4.877 3.055 1.00 0.00 C ATOM 1397 CG ARG A 94 8.473 4.836 4.124 1.00 0.00 C ATOM 1398 CD ARG A 94 7.219 5.610 3.729 1.00 0.00 C ATOM 1399 NE ARG A 94 6.401 5.957 4.887 1.00 0.00 N ATOM 1400 CZ ARG A 94 5.502 6.949 4.946 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.279 7.730 3.892 1.00 0.00 N ATOM 1402 NH2 ARG A 94 4.835 7.163 6.067 1.00 0.00 N ATOM 0 H ARG A 94 9.633 2.411 2.541 1.00 0.00 H new ATOM 0 HA ARG A 94 8.124 4.455 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.427 4.355 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.838 5.917 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.206 3.798 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.872 5.248 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.506 6.520 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.628 5.013 3.034 1.00 0.00 H new ATOM 0 HE ARG A 94 6.525 5.393 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.795 7.577 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.592 8.482 3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.006 6.574 6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.150 7.917 6.117 1.00 0.00 H new ATOM 1416 N LYS A 95 11.224 4.552 0.512 1.00 0.00 N ATOM 1417 CA LYS A 95 12.151 5.150 -0.423 1.00 0.00 C ATOM 1418 C LYS A 95 12.009 4.450 -1.781 1.00 0.00 C ATOM 1419 O LYS A 95 12.962 4.216 -2.503 1.00 0.00 O ATOM 1420 CB LYS A 95 13.578 5.064 0.141 1.00 0.00 C ATOM 1421 CG LYS A 95 14.616 5.887 -0.618 1.00 0.00 C ATOM 1422 CD LYS A 95 15.951 5.864 0.095 1.00 0.00 C ATOM 1423 CE LYS A 95 17.005 6.675 -0.644 1.00 0.00 C ATOM 1424 NZ LYS A 95 17.336 6.108 -1.970 1.00 0.00 N ATOM 0 H LYS A 95 11.627 3.802 1.074 1.00 0.00 H new ATOM 0 HA LYS A 95 11.928 6.207 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.563 5.392 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.892 4.020 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.732 5.492 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.269 6.916 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.830 6.259 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.291 4.833 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.649 7.698 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.910 6.725 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.161 6.605 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.556 5.097 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.524 6.224 -2.610 1.00 0.00 H new ATOM 1438 N ARG A 96 10.781 4.155 -2.108 1.00 0.00 N ATOM 1439 CA ARG A 96 10.408 3.563 -3.338 1.00 0.00 C ATOM 1440 C ARG A 96 9.057 4.112 -3.734 1.00 0.00 C ATOM 1441 O ARG A 96 8.870 4.516 -4.866 1.00 0.00 O ATOM 1442 CB ARG A 96 10.381 2.033 -3.243 1.00 0.00 C ATOM 1443 CG ARG A 96 9.978 1.309 -4.525 1.00 0.00 C ATOM 1444 CD ARG A 96 10.965 1.533 -5.665 1.00 0.00 C ATOM 1445 NE ARG A 96 10.620 0.716 -6.848 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.284 0.722 -8.020 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.301 1.540 -8.211 1.00 0.00 N ATOM 1448 NH2 ARG A 96 10.922 -0.106 -8.985 1.00 0.00 N ATOM 0 H ARG A 96 9.989 4.333 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 96 11.147 3.810 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.370 1.686 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.690 1.746 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.899 0.241 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.990 1.650 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.972 2.588 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.972 1.284 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 96 9.813 0.097 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.591 2.175 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.797 1.537 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.142 -0.747 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.423 -0.104 -9.874 1.00 0.00 H new ATOM 1462 N LEU A 97 8.121 4.157 -2.787 1.00 0.00 N ATOM 1463 CA LEU A 97 6.801 4.684 -3.123 1.00 0.00 C ATOM 1464 C LEU A 97 6.684 6.186 -2.839 1.00 0.00 C ATOM 1465 O LEU A 97 5.878 6.868 -3.426 1.00 0.00 O ATOM 1466 CB LEU A 97 5.652 3.875 -2.455 1.00 0.00 C ATOM 1467 CG LEU A 97 5.224 4.171 -0.990 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.352 4.252 -0.018 1.00 0.00 C ATOM 1469 CD2 LEU A 97 4.292 5.360 -0.869 1.00 0.00 C ATOM 0 H LEU A 97 8.242 3.850 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 97 6.688 4.558 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.767 3.998 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.931 2.822 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 97 4.655 3.287 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.960 4.461 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.889 3.304 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.032 5.050 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.031 5.513 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.788 6.251 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.386 5.172 -1.445 1.00 0.00 H new ATOM 1481 N THR A 98 7.444 6.684 -1.910 1.00 0.00 N ATOM 1482 CA THR A 98 7.357 8.096 -1.626 1.00 0.00 C ATOM 1483 C THR A 98 8.686 8.781 -1.916 1.00 0.00 C ATOM 1484 O THR A 98 8.924 9.931 -1.510 1.00 0.00 O ATOM 1485 CB THR A 98 6.784 8.396 -0.185 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.589 9.801 0.040 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.655 7.835 0.910 1.00 0.00 C ATOM 0 H THR A 98 8.113 6.158 -1.348 1.00 0.00 H new ATOM 0 HA THR A 98 6.622 8.533 -2.303 1.00 0.00 H new ATOM 0 HB THR A 98 5.816 7.896 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.295 10.306 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.216 8.069 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.730 6.753 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.650 8.276 0.846 1.00 0.00 H new ATOM 1495 N LYS A 99 9.557 8.070 -2.645 1.00 0.00 N ATOM 1496 CA LYS A 99 10.765 8.685 -3.128 1.00 0.00 C ATOM 1497 C LYS A 99 10.382 9.626 -4.296 1.00 0.00 C ATOM 1498 O LYS A 99 9.266 9.555 -4.811 1.00 0.00 O ATOM 1499 CB LYS A 99 11.775 7.654 -3.636 1.00 0.00 C ATOM 1500 CG LYS A 99 11.365 7.010 -4.944 1.00 0.00 C ATOM 1501 CD LYS A 99 12.569 6.564 -5.741 1.00 0.00 C ATOM 1502 CE LYS A 99 13.138 5.266 -5.280 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.236 4.836 -6.159 1.00 0.00 N ATOM 0 H LYS A 99 9.438 7.090 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 99 11.233 9.226 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.744 8.137 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.903 6.878 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.722 6.153 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.780 7.717 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.288 6.476 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.340 7.332 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.502 5.366 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.357 4.506 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.662 3.966 -5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.866 4.655 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.958 5.583 -6.204 1.00 0.00 H new ATOM 1517 N ARG A 100 11.311 10.418 -4.760 1.00 0.00 N ATOM 1518 CA ARG A 100 11.003 11.403 -5.787 1.00 0.00 C ATOM 1519 C ARG A 100 11.708 11.093 -7.101 1.00 0.00 C ATOM 1520 O ARG A 100 11.568 11.819 -8.081 1.00 0.00 O ATOM 1521 CB ARG A 100 11.376 12.807 -5.310 1.00 0.00 C ATOM 1522 CG ARG A 100 12.813 12.933 -4.837 1.00 0.00 C ATOM 1523 CD ARG A 100 13.217 14.376 -4.682 1.00 0.00 C ATOM 1524 NE ARG A 100 13.124 15.080 -5.967 1.00 0.00 N ATOM 1525 CZ ARG A 100 13.012 16.398 -6.123 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.115 17.204 -5.080 1.00 0.00 N ATOM 1527 NH2 ARG A 100 12.837 16.901 -7.338 1.00 0.00 N ATOM 0 H ARG A 100 12.283 10.409 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 100 9.929 11.358 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.208 13.513 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.709 13.093 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.930 12.417 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.476 12.443 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.575 14.862 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.237 14.435 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 100 13.147 14.511 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.281 16.817 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.029 18.213 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.789 16.279 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.750 17.909 -7.465 1.00 0.00 H new ATOM 1541 N SER A 101 12.462 10.033 -7.108 1.00 0.00 N ATOM 1542 CA SER A 101 13.220 9.641 -8.278 1.00 0.00 C ATOM 1543 C SER A 101 12.349 8.988 -9.344 1.00 0.00 C ATOM 1544 O SER A 101 12.652 9.070 -10.542 1.00 0.00 O ATOM 1545 CB SER A 101 14.308 8.689 -7.868 1.00 0.00 C ATOM 1546 OG SER A 101 15.250 9.301 -7.008 1.00 0.00 O ATOM 0 H SER A 101 12.574 9.411 -6.308 1.00 0.00 H new ATOM 0 HA SER A 101 13.644 10.546 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.866 7.827 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.817 8.315 -8.757 1.00 0.00 H new ATOM 0 HG SER A 101 15.940 8.650 -6.762 1.00 0.00 H new ATOM 1552 N GLU A 102 11.281 8.356 -8.914 1.00 0.00 N ATOM 1553 CA GLU A 102 10.400 7.664 -9.833 1.00 0.00 C ATOM 1554 C GLU A 102 9.427 8.643 -10.489 1.00 0.00 C ATOM 1555 O GLU A 102 9.465 9.857 -10.229 1.00 0.00 O ATOM 1556 CB GLU A 102 9.600 6.536 -9.141 1.00 0.00 C ATOM 1557 CG GLU A 102 10.422 5.497 -8.379 1.00 0.00 C ATOM 1558 CD GLU A 102 11.671 5.027 -9.112 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.661 4.933 -10.350 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.709 4.780 -8.443 1.00 0.00 O ATOM 0 H GLU A 102 11.000 8.305 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 102 11.036 7.211 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.895 6.992 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.011 6.019 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.716 5.917 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.791 4.633 -8.170 1.00 0.00 H new ATOM 1567 N GLU A 103 8.590 8.125 -11.356 1.00 0.00 N ATOM 1568 CA GLU A 103 7.574 8.913 -11.993 1.00 0.00 C ATOM 1569 C GLU A 103 6.327 8.079 -12.242 1.00 0.00 C ATOM 1570 O GLU A 103 5.325 8.275 -11.595 1.00 0.00 O ATOM 1571 CB GLU A 103 8.111 9.613 -13.255 1.00 0.00 C ATOM 1572 CG GLU A 103 8.747 8.718 -14.284 1.00 0.00 C ATOM 1573 CD GLU A 103 9.619 9.486 -15.252 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.090 10.064 -16.232 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.842 9.539 -15.046 1.00 0.00 O ATOM 0 H GLU A 103 8.598 7.144 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 103 7.278 9.717 -11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.288 10.149 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.844 10.360 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.347 7.959 -13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.968 8.194 -14.837 1.00 0.00 H new ATOM 1582 N VAL A 104 6.397 7.148 -13.154 1.00 0.00 N ATOM 1583 CA VAL A 104 5.295 6.259 -13.399 1.00 0.00 C ATOM 1584 C VAL A 104 5.646 4.929 -12.831 1.00 0.00 C ATOM 1585 O VAL A 104 6.723 4.391 -13.116 1.00 0.00 O ATOM 1586 CB VAL A 104 4.958 6.094 -14.893 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.733 5.225 -15.068 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.785 7.431 -15.566 1.00 0.00 C ATOM 0 H VAL A 104 7.213 6.985 -13.744 1.00 0.00 H new ATOM 0 HA VAL A 104 4.411 6.690 -12.928 1.00 0.00 H new ATOM 0 HB VAL A 104 5.797 5.595 -15.377 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.510 5.120 -16.130 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.920 4.241 -14.637 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.884 5.687 -14.563 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.548 7.280 -16.619 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.973 7.978 -15.086 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.708 8.004 -15.480 1.00 0.00 H new ATOM 1598 N VAL A 105 4.788 4.421 -12.011 1.00 0.00 N ATOM 1599 CA VAL A 105 5.017 3.179 -11.355 1.00 0.00 C ATOM 1600 C VAL A 105 3.834 2.238 -11.539 1.00 0.00 C ATOM 1601 O VAL A 105 2.677 2.648 -11.414 1.00 0.00 O ATOM 1602 CB VAL A 105 5.284 3.387 -9.842 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.587 4.149 -9.606 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.135 4.143 -9.202 1.00 0.00 C ATOM 0 H VAL A 105 3.899 4.862 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 105 5.900 2.730 -11.810 1.00 0.00 H new ATOM 0 HB VAL A 105 5.372 2.401 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.744 4.278 -8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.419 3.587 -10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.529 5.127 -10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.337 4.281 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.028 5.116 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.213 3.575 -9.325 1.00 0.00 H new ATOM 1614 N ARG A 106 4.119 1.002 -11.858 1.00 0.00 N ATOM 1615 CA ARG A 106 3.088 -0.003 -11.982 1.00 0.00 C ATOM 1616 C ARG A 106 3.116 -0.870 -10.777 1.00 0.00 C ATOM 1617 O ARG A 106 4.119 -1.516 -10.480 1.00 0.00 O ATOM 1618 CB ARG A 106 3.237 -0.817 -13.255 1.00 0.00 C ATOM 1619 CG ARG A 106 2.997 0.023 -14.484 1.00 0.00 C ATOM 1620 CD ARG A 106 3.101 -0.769 -15.756 1.00 0.00 C ATOM 1621 NE ARG A 106 2.757 0.066 -16.899 1.00 0.00 N ATOM 1622 CZ ARG A 106 2.940 -0.243 -18.172 1.00 0.00 C ATOM 1623 NH1 ARG A 106 3.448 -1.429 -18.521 1.00 0.00 N ATOM 1624 NH2 ARG A 106 2.596 0.629 -19.108 1.00 0.00 N ATOM 0 H ARG A 106 5.064 0.663 -12.038 1.00 0.00 H new ATOM 0 HA ARG A 106 2.119 0.492 -12.051 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.238 -1.247 -13.297 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.533 -1.649 -13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.007 0.476 -14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.720 0.839 -14.508 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.114 -1.155 -15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.434 -1.630 -15.712 1.00 0.00 H new ATOM 0 HE ARG A 106 2.336 0.973 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.699 -2.108 -17.802 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.584 -1.655 -19.506 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.194 1.529 -18.844 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.733 0.401 -20.093 1.00 0.00 H new ATOM 1638 N LEU A 107 2.064 -0.835 -10.054 1.00 0.00 N ATOM 1639 CA LEU A 107 1.982 -1.520 -8.819 1.00 0.00 C ATOM 1640 C LEU A 107 0.952 -2.603 -8.937 1.00 0.00 C ATOM 1641 O LEU A 107 0.106 -2.564 -9.823 1.00 0.00 O ATOM 1642 CB LEU A 107 1.508 -0.560 -7.739 1.00 0.00 C ATOM 1643 CG LEU A 107 1.994 0.886 -7.819 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.436 1.667 -6.674 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.489 0.983 -7.825 1.00 0.00 C ATOM 0 H LEU A 107 1.219 -0.321 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 107 2.961 -1.929 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.418 -0.550 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.811 -0.964 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 107 1.639 1.302 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.784 2.698 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.347 1.648 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.769 1.225 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.785 2.030 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.886 0.544 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.885 0.446 -8.687 1.00 0.00 H new ATOM 1657 N LEU A 108 1.010 -3.536 -8.059 1.00 0.00 N ATOM 1658 CA LEU A 108 0.019 -4.565 -7.969 1.00 0.00 C ATOM 1659 C LEU A 108 -0.342 -4.735 -6.533 1.00 0.00 C ATOM 1660 O LEU A 108 0.532 -4.991 -5.690 1.00 0.00 O ATOM 1661 CB LEU A 108 0.492 -5.894 -8.557 1.00 0.00 C ATOM 1662 CG LEU A 108 -0.229 -6.369 -9.817 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.198 -5.557 -11.026 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.000 -7.853 -10.049 1.00 0.00 C ATOM 0 H LEU A 108 1.756 -3.615 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.847 -4.263 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.555 -5.810 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.388 -6.663 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.298 -6.214 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.330 -5.915 -11.910 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.041 -4.506 -10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.272 -5.665 -11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.524 -8.165 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.067 -8.043 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.378 -8.417 -9.197 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.588 -4.560 -6.231 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.037 -4.667 -4.872 1.00 0.00 C ATOM 1678 C VAL A 109 -2.937 -5.846 -4.706 1.00 0.00 C ATOM 1679 O VAL A 109 -3.530 -6.325 -5.669 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.736 -3.396 -4.329 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.826 -2.197 -4.372 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -4.024 -3.105 -5.044 1.00 0.00 C ATOM 0 H VAL A 109 -2.319 -4.341 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.131 -4.796 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.977 -3.603 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.353 -1.326 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.943 -2.389 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.522 -2.007 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.476 -2.205 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.825 -2.954 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.707 -3.945 -4.919 1.00 0.00 H new ATOM 1692 N THR A 110 -3.015 -6.321 -3.506 1.00 0.00 N ATOM 1693 CA THR A 110 -3.810 -7.378 -3.146 1.00 0.00 C ATOM 1694 C THR A 110 -4.558 -6.923 -1.918 1.00 0.00 C ATOM 1695 O THR A 110 -3.962 -6.339 -1.004 1.00 0.00 O ATOM 1696 CB THR A 110 -2.938 -8.579 -2.813 1.00 0.00 C ATOM 1697 OG1 THR A 110 -1.818 -8.170 -2.001 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.423 -9.270 -4.020 1.00 0.00 C ATOM 0 H THR A 110 -2.481 -5.937 -2.727 1.00 0.00 H new ATOM 0 HA THR A 110 -4.491 -7.672 -3.945 1.00 0.00 H new ATOM 0 HB THR A 110 -3.573 -9.280 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.264 -8.951 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.808 -10.118 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.260 -9.624 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.822 -8.576 -4.608 1.00 0.00 H new