USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 389 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: B 12 HIS :FLIP no HD1:sc= -0.588 F(o=-4.7,f=-1.2) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -0.591 K(o=-1.2,f=-4.1) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00888) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -4.37! C(o=-5!,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 33:sc= 0.123 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.121) USER MOD Single : B 27 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N HIS A 13 -12.572 -2.850 3.081 1.00 0.00 N ATOM 205 CA HIS A 13 -11.901 -2.039 2.076 1.00 0.00 C ATOM 206 C HIS A 13 -11.457 -0.715 2.675 1.00 0.00 C ATOM 207 O HIS A 13 -10.440 -0.163 2.275 1.00 0.00 O ATOM 208 CB HIS A 13 -12.815 -1.767 0.886 1.00 0.00 C ATOM 209 CG HIS A 13 -13.308 -2.991 0.194 1.00 0.00 C ATOM 210 ND1 HIS A 13 -12.611 -4.181 0.154 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.445 -3.197 -0.498 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.304 -5.068 -0.540 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.422 -4.494 -0.946 1.00 0.00 N ATOM 0 HA HIS A 13 -11.031 -2.597 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.673 -1.188 1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.279 -1.149 0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.230 -2.475 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.007 -6.087 -0.740 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.150 -4.942 -1.502 1.00 0.00 H new ATOM 222 N ALA A 14 -12.230 -0.209 3.632 1.00 0.00 N ATOM 223 CA ALA A 14 -11.907 1.055 4.280 1.00 0.00 C ATOM 224 C ALA A 14 -10.615 0.926 5.069 1.00 0.00 C ATOM 225 O ALA A 14 -9.658 1.665 4.839 1.00 0.00 O ATOM 226 CB ALA A 14 -13.047 1.496 5.186 1.00 0.00 C ATOM 0 H ALA A 14 -13.081 -0.654 3.974 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.769 1.815 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.788 2.442 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.954 1.623 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.217 0.739 5.952 1.00 0.00 H new ATOM 232 N LYS A 15 -10.584 -0.033 5.986 1.00 0.00 N ATOM 233 CA LYS A 15 -9.393 -0.272 6.784 1.00 0.00 C ATOM 234 C LYS A 15 -8.242 -0.727 5.891 1.00 0.00 C ATOM 235 O LYS A 15 -7.081 -0.706 6.299 1.00 0.00 O ATOM 236 CB LYS A 15 -9.673 -1.324 7.858 1.00 0.00 C ATOM 237 CG LYS A 15 -9.891 -0.737 9.243 1.00 0.00 C ATOM 238 CD LYS A 15 -9.290 -1.621 10.325 1.00 0.00 C ATOM 239 CE LYS A 15 -10.353 -2.123 11.288 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.386 -1.323 12.544 1.00 0.00 N ATOM 0 H LYS A 15 -11.366 -0.654 6.193 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.111 0.660 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.555 -1.897 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.838 -2.023 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.444 0.256 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.959 -0.615 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.785 -2.470 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.534 -1.061 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.329 -2.081 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.161 -3.169 11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.124 -1.697 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.462 -1.383 13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.595 -0.330 12.318 1.00 0.00 H new ATOM 254 N GLU A 16 -8.572 -1.139 4.664 1.00 0.00 N ATOM 255 CA GLU A 16 -7.569 -1.595 3.716 1.00 0.00 C ATOM 256 C GLU A 16 -6.916 -0.418 3.002 1.00 0.00 C ATOM 257 O GLU A 16 -5.731 -0.467 2.679 1.00 0.00 O ATOM 258 CB GLU A 16 -8.197 -2.545 2.694 1.00 0.00 C ATOM 259 CG GLU A 16 -7.199 -3.492 2.046 1.00 0.00 C ATOM 260 CD GLU A 16 -6.301 -4.176 3.059 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.725 -4.323 4.225 1.00 0.00 O ATOM 262 OE2 GLU A 16 -5.175 -4.565 2.687 1.00 0.00 O ATOM 0 H GLU A 16 -9.528 -1.164 4.310 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.798 -2.129 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.974 -3.131 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.684 -1.957 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.739 -4.248 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.584 -2.937 1.338 1.00 0.00 H new ATOM 269 N ILE A 17 -7.684 0.646 2.757 1.00 0.00 N ATOM 270 CA ILE A 17 -7.144 1.821 2.085 1.00 0.00 C ATOM 271 C ILE A 17 -6.252 2.620 3.035 1.00 0.00 C ATOM 272 O ILE A 17 -5.228 3.173 2.628 1.00 0.00 O ATOM 273 CB ILE A 17 -8.273 2.715 1.506 1.00 0.00 C ATOM 274 CG1 ILE A 17 -8.874 3.644 2.571 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.363 1.848 0.901 1.00 0.00 C ATOM 276 CD1 ILE A 17 -8.206 5.000 2.636 1.00 0.00 C ATOM 0 H ILE A 17 -8.669 0.715 3.012 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.537 1.476 1.248 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.831 3.343 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.936 3.780 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.797 3.163 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.151 2.483 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.942 1.239 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.780 1.198 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.681 5.603 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.149 4.874 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.305 5.501 1.673 1.00 0.00 H new ATOM 288 N GLU A 18 -6.644 2.664 4.305 1.00 0.00 N ATOM 289 CA GLU A 18 -5.876 3.382 5.314 1.00 0.00 C ATOM 290 C GLU A 18 -4.640 2.583 5.709 1.00 0.00 C ATOM 291 O GLU A 18 -3.551 3.138 5.869 1.00 0.00 O ATOM 292 CB GLU A 18 -6.739 3.657 6.547 1.00 0.00 C ATOM 293 CG GLU A 18 -7.303 5.068 6.592 1.00 0.00 C ATOM 294 CD GLU A 18 -7.641 5.515 8.001 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.539 4.906 8.618 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.007 6.476 8.486 1.00 0.00 O ATOM 0 H GLU A 18 -7.487 2.212 4.658 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.558 4.334 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.563 2.944 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.143 3.484 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.579 5.759 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.200 5.117 5.974 1.00 0.00 H new ATOM 303 N ARG A 19 -4.814 1.274 5.857 1.00 0.00 N ATOM 304 CA ARG A 19 -3.712 0.397 6.223 1.00 0.00 C ATOM 305 C ARG A 19 -2.735 0.257 5.062 1.00 0.00 C ATOM 306 O ARG A 19 -1.547 0.004 5.265 1.00 0.00 O ATOM 307 CB ARG A 19 -4.238 -0.979 6.636 1.00 0.00 C ATOM 308 CG ARG A 19 -4.981 -0.974 7.961 1.00 0.00 C ATOM 309 CD ARG A 19 -4.097 -1.463 9.098 1.00 0.00 C ATOM 310 NE ARG A 19 -3.372 -0.368 9.736 1.00 0.00 N ATOM 311 CZ ARG A 19 -2.376 -0.547 10.597 1.00 0.00 C ATOM 312 NH1 ARG A 19 -1.989 -1.774 10.921 1.00 0.00 N ATOM 313 NH2 ARG A 19 -1.766 0.500 11.135 1.00 0.00 N ATOM 0 H ARG A 19 -5.708 0.799 5.729 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.188 0.840 7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.903 -1.353 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.401 -1.674 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.331 0.035 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.864 -1.609 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.710 -1.973 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.385 -2.195 8.715 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.645 0.588 9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.456 -2.582 10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.224 -1.910 11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.061 1.445 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.002 0.361 11.796 1.00 0.00 H new ATOM 327 N LEU A 20 -3.241 0.435 3.846 1.00 0.00 N ATOM 328 CA LEU A 20 -2.406 0.341 2.659 1.00 0.00 C ATOM 329 C LEU A 20 -1.471 1.538 2.585 1.00 0.00 C ATOM 330 O LEU A 20 -0.286 1.394 2.291 1.00 0.00 O ATOM 331 CB LEU A 20 -3.270 0.269 1.396 1.00 0.00 C ATOM 332 CG LEU A 20 -3.482 -1.137 0.829 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.268 -1.575 0.025 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.771 -2.131 1.944 1.00 0.00 C ATOM 0 H LEU A 20 -4.222 0.644 3.659 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.813 -0.571 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.244 0.705 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.811 0.888 0.626 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.346 -1.111 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.436 -2.577 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.108 -0.881 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.388 -1.582 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.918 -3.123 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.930 -2.155 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.672 -1.828 2.477 1.00 0.00 H new ATOM 346 N GLN A 21 -2.011 2.721 2.864 1.00 0.00 N ATOM 347 CA GLN A 21 -1.221 3.946 2.837 1.00 0.00 C ATOM 348 C GLN A 21 -0.066 3.863 3.829 1.00 0.00 C ATOM 349 O GLN A 21 1.084 4.145 3.484 1.00 0.00 O ATOM 350 CB GLN A 21 -2.101 5.155 3.160 1.00 0.00 C ATOM 351 CG GLN A 21 -1.459 6.486 2.806 1.00 0.00 C ATOM 352 CD GLN A 21 -2.049 7.645 3.584 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.534 8.029 4.634 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.136 8.209 3.071 1.00 0.00 N ATOM 0 H GLN A 21 -2.991 2.856 3.111 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.811 4.065 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.044 5.061 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.339 5.147 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.388 6.431 3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.580 6.671 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.529 7.858 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.578 8.993 3.550 1.00 0.00 H new ATOM 363 N LYS A 22 -0.373 3.471 5.062 1.00 0.00 N ATOM 364 CA LYS A 22 0.648 3.351 6.094 1.00 0.00 C ATOM 365 C LYS A 22 1.667 2.282 5.719 1.00 0.00 C ATOM 366 O LYS A 22 2.854 2.404 6.024 1.00 0.00 O ATOM 367 CB LYS A 22 0.013 3.018 7.446 1.00 0.00 C ATOM 368 CG LYS A 22 0.795 3.567 8.630 1.00 0.00 C ATOM 369 CD LYS A 22 1.239 2.468 9.588 1.00 0.00 C ATOM 370 CE LYS A 22 1.878 1.294 8.859 1.00 0.00 C ATOM 371 NZ LYS A 22 2.742 0.485 9.763 1.00 0.00 N ATOM 0 H LYS A 22 -1.316 3.232 5.369 1.00 0.00 H new ATOM 0 HA LYS A 22 1.160 4.310 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.001 3.418 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.069 1.936 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.671 4.105 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.178 4.288 9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.950 2.879 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.379 2.115 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.098 0.660 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.472 1.665 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.132 -0.324 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.521 1.075 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.177 0.138 10.564 1.00 0.00 H new ATOM 385 N GLU A 23 1.196 1.234 5.051 1.00 0.00 N ATOM 386 CA GLU A 23 2.064 0.142 4.630 1.00 0.00 C ATOM 387 C GLU A 23 3.089 0.623 3.608 1.00 0.00 C ATOM 388 O GLU A 23 4.230 0.156 3.590 1.00 0.00 O ATOM 389 CB GLU A 23 1.234 -0.999 4.038 1.00 0.00 C ATOM 390 CG GLU A 23 2.072 -2.174 3.557 1.00 0.00 C ATOM 391 CD GLU A 23 1.267 -3.169 2.747 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.629 -2.751 1.757 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.272 -4.367 3.101 1.00 0.00 O ATOM 0 H GLU A 23 0.217 1.119 4.790 1.00 0.00 H new ATOM 0 HA GLU A 23 2.597 -0.223 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.527 -1.351 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.647 -0.616 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.899 -1.802 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.509 -2.680 4.418 1.00 0.00 H new ATOM 400 N ILE A 24 2.682 1.562 2.759 1.00 0.00 N ATOM 401 CA ILE A 24 3.578 2.099 1.740 1.00 0.00 C ATOM 402 C ILE A 24 4.699 2.904 2.402 1.00 0.00 C ATOM 403 O ILE A 24 5.866 2.795 2.025 1.00 0.00 O ATOM 404 CB ILE A 24 2.822 2.955 0.669 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.837 4.457 0.994 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.386 2.476 0.510 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.131 5.137 0.604 1.00 0.00 C ATOM 0 H ILE A 24 1.745 1.964 2.756 1.00 0.00 H new ATOM 0 HA ILE A 24 4.014 1.255 1.205 1.00 0.00 H new ATOM 0 HB ILE A 24 3.357 2.817 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.009 4.942 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.670 4.593 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.880 3.085 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.383 1.433 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.865 2.566 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.077 6.195 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.960 4.676 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.289 5.031 -0.469 1.00 0.00 H new ATOM 419 N GLU A 25 4.327 3.704 3.398 1.00 0.00 N ATOM 420 CA GLU A 25 5.293 4.518 4.122 1.00 0.00 C ATOM 421 C GLU A 25 6.344 3.633 4.777 1.00 0.00 C ATOM 422 O GLU A 25 7.535 3.944 4.760 1.00 0.00 O ATOM 423 CB GLU A 25 4.588 5.369 5.180 1.00 0.00 C ATOM 424 CG GLU A 25 5.374 6.602 5.594 1.00 0.00 C ATOM 425 CD GLU A 25 4.495 7.827 5.755 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.264 7.700 5.587 1.00 0.00 O ATOM 427 OE2 GLU A 25 5.038 8.912 6.050 1.00 0.00 O ATOM 0 H GLU A 25 3.364 3.804 3.720 1.00 0.00 H new ATOM 0 HA GLU A 25 5.786 5.182 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.617 5.680 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.400 4.756 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.888 6.402 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.142 6.806 4.848 1.00 0.00 H new ATOM 434 N ARG A 26 5.893 2.519 5.349 1.00 0.00 N ATOM 435 CA ARG A 26 6.795 1.579 6.000 1.00 0.00 C ATOM 436 C ARG A 26 7.814 1.048 5.000 1.00 0.00 C ATOM 437 O ARG A 26 8.990 0.873 5.326 1.00 0.00 O ATOM 438 CB ARG A 26 6.007 0.421 6.613 1.00 0.00 C ATOM 439 CG ARG A 26 5.675 0.620 8.083 1.00 0.00 C ATOM 440 CD ARG A 26 6.928 0.866 8.908 1.00 0.00 C ATOM 441 NE ARG A 26 6.934 2.196 9.512 1.00 0.00 N ATOM 442 CZ ARG A 26 8.027 2.785 9.984 1.00 0.00 C ATOM 443 NH1 ARG A 26 9.197 2.164 9.922 1.00 0.00 N ATOM 444 NH2 ARG A 26 7.951 3.996 10.518 1.00 0.00 N ATOM 0 H ARG A 26 4.910 2.248 5.374 1.00 0.00 H new ATOM 0 HA ARG A 26 7.324 2.102 6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.080 0.288 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.582 -0.498 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.994 1.464 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.155 -0.260 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.000 0.112 9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.807 0.752 8.274 1.00 0.00 H new ATOM 0 HE ARG A 26 6.050 2.700 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.259 1.232 9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.035 2.618 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.053 4.476 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.791 4.447 10.880 1.00 0.00 H new ATOM 458 N HIS A 27 7.357 0.805 3.774 1.00 0.00 N ATOM 459 CA HIS A 27 8.233 0.311 2.726 1.00 0.00 C ATOM 460 C HIS A 27 9.267 1.369 2.368 1.00 0.00 C ATOM 461 O HIS A 27 10.375 1.051 1.937 1.00 0.00 O ATOM 462 CB HIS A 27 7.419 -0.071 1.487 1.00 0.00 C ATOM 463 CG HIS A 27 7.375 -1.545 1.234 1.00 0.00 C ATOM 464 ND1 HIS A 27 6.329 -2.406 1.192 1.00 0.00 N flip ATOM 465 CD2 HIS A 27 8.500 -2.302 0.985 1.00 0.00 C flip ATOM 466 CE1 HIS A 27 6.840 -3.652 0.922 1.00 0.00 C flip ATOM 467 NE2 HIS A 27 8.151 -3.563 0.801 1.00 0.00 N flip ATOM 0 H HIS A 27 6.388 0.943 3.487 1.00 0.00 H new ATOM 0 HA HIS A 27 8.748 -0.577 3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.401 0.301 1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.843 0.427 0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.511 -1.923 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.262 -4.559 0.824 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.786 -4.335 0.600 1.00 0.00 H new ATOM 476 N LYS A 28 8.893 2.632 2.559 1.00 0.00 N ATOM 477 CA LYS A 28 9.783 3.747 2.268 1.00 0.00 C ATOM 478 C LYS A 28 10.890 3.838 3.311 1.00 0.00 C ATOM 479 O LYS A 28 12.005 4.269 3.013 1.00 0.00 O ATOM 480 CB LYS A 28 8.996 5.058 2.223 1.00 0.00 C ATOM 481 CG LYS A 28 8.007 5.135 1.071 1.00 0.00 C ATOM 482 CD LYS A 28 7.208 6.427 1.107 1.00 0.00 C ATOM 483 CE LYS A 28 8.024 7.602 0.593 1.00 0.00 C ATOM 484 NZ LYS A 28 7.173 8.609 -0.099 1.00 0.00 N ATOM 0 H LYS A 28 7.977 2.906 2.915 1.00 0.00 H new ATOM 0 HA LYS A 28 10.238 3.575 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.457 5.181 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.696 5.890 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.543 5.064 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.327 4.284 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.308 6.316 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.884 6.627 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.542 8.076 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.789 7.240 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.767 9.394 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.698 8.164 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.459 8.974 0.563 1.00 0.00 H new ATOM 498 N GLN A 29 10.576 3.427 4.534 1.00 0.00 N ATOM 499 CA GLN A 29 11.543 3.458 5.624 1.00 0.00 C ATOM 500 C GLN A 29 12.623 2.401 5.416 1.00 0.00 C ATOM 501 O GLN A 29 13.803 2.649 5.662 1.00 0.00 O ATOM 502 CB GLN A 29 10.842 3.234 6.964 1.00 0.00 C ATOM 503 CG GLN A 29 11.765 3.373 8.164 1.00 0.00 C ATOM 504 CD GLN A 29 11.753 4.772 8.749 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.973 5.074 9.652 1.00 0.00 O ATOM 506 NE2 GLN A 29 12.622 5.636 8.235 1.00 0.00 N ATOM 0 H GLN A 29 9.658 3.068 4.796 1.00 0.00 H new ATOM 0 HA GLN A 29 12.015 4.440 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.024 3.948 7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.398 2.238 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.467 2.659 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.782 3.116 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.251 5.343 7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.660 6.592 8.588 1.00 0.00 H new ATOM 515 N SER A 30 12.210 1.223 4.960 1.00 0.00 N ATOM 516 CA SER A 30 13.144 0.129 4.717 1.00 0.00 C ATOM 517 C SER A 30 14.060 0.447 3.537 1.00 0.00 C ATOM 518 O SER A 30 15.267 0.220 3.597 1.00 0.00 O ATOM 519 CB SER A 30 12.382 -1.171 4.450 1.00 0.00 C ATOM 520 OG SER A 30 12.983 -2.263 5.124 1.00 0.00 O ATOM 0 H SER A 30 11.236 1.001 4.752 1.00 0.00 H new ATOM 0 HA SER A 30 13.759 0.005 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.348 -1.063 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.359 -1.369 3.378 1.00 0.00 H new ATOM 0 HG SER A 30 12.476 -3.081 4.938 1.00 0.00 H new ATOM 526 N ILE A 31 13.473 0.973 2.467 1.00 0.00 N ATOM 527 CA ILE A 31 14.229 1.324 1.268 1.00 0.00 C ATOM 528 C ILE A 31 15.124 2.534 1.515 1.00 0.00 C ATOM 529 O ILE A 31 16.148 2.708 0.852 1.00 0.00 O ATOM 530 CB ILE A 31 13.290 1.618 0.080 1.00 0.00 C ATOM 531 CG1 ILE A 31 14.083 2.006 -1.167 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.314 2.730 0.432 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.778 0.843 -1.831 1.00 0.00 C ATOM 0 H ILE A 31 12.473 1.166 2.405 1.00 0.00 H new ATOM 0 HA ILE A 31 14.853 0.465 1.022 1.00 0.00 H new ATOM 0 HB ILE A 31 12.732 0.706 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.408 2.473 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.827 2.755 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.660 2.923 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.714 2.429 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.868 3.636 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.320 1.196 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.478 0.389 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.038 0.102 -2.135 1.00 0.00 H new ATOM 545 N LYS A 32 14.734 3.369 2.473 1.00 0.00 N ATOM 546 CA LYS A 32 15.505 4.562 2.806 1.00 0.00 C ATOM 547 C LYS A 32 16.704 4.212 3.681 1.00 0.00 C ATOM 548 O LYS A 32 17.754 4.847 3.595 1.00 0.00 O ATOM 549 CB LYS A 32 14.618 5.585 3.521 1.00 0.00 C ATOM 550 CG LYS A 32 14.052 6.650 2.596 1.00 0.00 C ATOM 551 CD LYS A 32 13.631 7.890 3.368 1.00 0.00 C ATOM 552 CE LYS A 32 14.808 8.520 4.096 1.00 0.00 C ATOM 553 NZ LYS A 32 14.504 9.906 4.546 1.00 0.00 N ATOM 0 H LYS A 32 13.890 3.242 3.032 1.00 0.00 H new ATOM 0 HA LYS A 32 15.873 4.996 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.794 5.063 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.197 6.069 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.799 6.921 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.195 6.247 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.195 8.616 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.856 7.626 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.071 7.908 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.677 8.534 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.331 10.301 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.277 10.497 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.691 9.890 5.194 1.00 0.00 H new ATOM 567 N LYS A 33 16.539 3.197 4.525 1.00 0.00 N ATOM 568 CA LYS A 33 17.608 2.762 5.415 1.00 0.00 C ATOM 569 C LYS A 33 18.625 1.909 4.665 1.00 0.00 C ATOM 570 O LYS A 33 19.812 1.907 4.992 1.00 0.00 O ATOM 571 CB LYS A 33 17.031 1.974 6.592 1.00 0.00 C ATOM 572 CG LYS A 33 18.088 1.444 7.546 1.00 0.00 C ATOM 573 CD LYS A 33 17.473 0.583 8.637 1.00 0.00 C ATOM 574 CE LYS A 33 18.145 -0.778 8.719 1.00 0.00 C ATOM 575 NZ LYS A 33 17.208 -1.834 9.192 1.00 0.00 N ATOM 0 H LYS A 33 15.675 2.661 4.610 1.00 0.00 H new ATOM 0 HA LYS A 33 18.115 3.649 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.343 2.614 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.448 1.137 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.821 0.860 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.623 2.279 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.562 1.092 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.408 0.453 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.533 -1.051 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.998 -0.721 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.706 -2.746 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.857 -1.588 10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.406 -1.907 8.534 1.00 0.00 H new ATOM 885 N SER B 11 16.485 -2.364 -4.983 1.00 0.00 N ATOM 886 CA SER B 11 15.708 -1.925 -6.135 1.00 0.00 C ATOM 887 C SER B 11 14.262 -2.395 -6.025 1.00 0.00 C ATOM 888 O SER B 11 13.346 -1.747 -6.534 1.00 0.00 O ATOM 889 CB SER B 11 16.331 -2.451 -7.429 1.00 0.00 C ATOM 890 OG SER B 11 17.695 -2.081 -7.526 1.00 0.00 O ATOM 0 HA SER B 11 15.717 -0.835 -6.154 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.242 -3.537 -7.464 1.00 0.00 H new ATOM 0 HB3 SER B 11 15.783 -2.059 -8.286 1.00 0.00 H new ATOM 0 HG SER B 11 18.091 -2.055 -6.630 1.00 0.00 H new ATOM 896 N HIS B 12 14.064 -3.525 -5.357 1.00 0.00 N ATOM 897 CA HIS B 12 12.731 -4.081 -5.181 1.00 0.00 C ATOM 898 C HIS B 12 11.932 -3.240 -4.182 1.00 0.00 C ATOM 899 O HIS B 12 10.758 -2.946 -4.408 1.00 0.00 O ATOM 900 CB HIS B 12 12.839 -5.565 -4.759 1.00 0.00 C ATOM 901 CG HIS B 12 11.932 -5.996 -3.640 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.136 -6.025 -2.304 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 10.650 -6.462 -3.842 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 10.986 -6.504 -1.727 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 10.104 -6.759 -2.676 1.00 0.00 N flip ATOM 0 H HIS B 12 14.810 -4.073 -4.929 1.00 0.00 H new ATOM 0 HA HIS B 12 12.187 -4.048 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.631 -6.187 -5.630 1.00 0.00 H new ATOM 0 HB3 HIS B 12 13.869 -5.765 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.168 -6.568 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.828 -6.649 -0.668 1.00 0.00 H new ATOM 0 HE2 HIS B 12 9.162 -7.123 -2.533 1.00 0.00 H new ATOM 914 N HIS B 13 12.571 -2.848 -3.082 1.00 0.00 N ATOM 915 CA HIS B 13 11.900 -2.037 -2.076 1.00 0.00 C ATOM 916 C HIS B 13 11.454 -0.713 -2.673 1.00 0.00 C ATOM 917 O HIS B 13 10.436 -0.161 -2.273 1.00 0.00 O ATOM 918 CB HIS B 13 12.813 -1.765 -0.885 1.00 0.00 C ATOM 919 CG HIS B 13 13.306 -2.992 -0.195 1.00 0.00 C ATOM 920 ND1 HIS B 13 12.609 -4.181 -0.155 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.443 -3.197 0.497 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.303 -5.068 0.537 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.420 -4.495 0.943 1.00 0.00 N ATOM 0 H HIS B 13 13.542 -3.077 -2.868 1.00 0.00 H new ATOM 0 HA HIS B 13 11.030 -2.597 -1.732 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.671 -1.184 -1.225 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.276 -1.148 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.227 -2.475 0.669 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.006 -6.087 0.736 1.00 0.00 H new ATOM 0 HE2 HIS B 13 15.148 -4.944 1.498 1.00 0.00 H new ATOM 932 N ALA B 14 12.228 -0.205 -3.629 1.00 0.00 N ATOM 933 CA ALA B 14 11.904 1.061 -4.277 1.00 0.00 C ATOM 934 C ALA B 14 10.612 0.932 -5.067 1.00 0.00 C ATOM 935 O ALA B 14 9.655 1.669 -4.836 1.00 0.00 O ATOM 936 CB ALA B 14 13.043 1.502 -5.183 1.00 0.00 C ATOM 0 H ALA B 14 13.080 -0.649 -3.970 1.00 0.00 H new ATOM 0 HA ALA B 14 11.765 1.821 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.784 2.448 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.950 1.629 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.212 0.745 -5.949 1.00 0.00 H new ATOM 942 N LYS B 15 10.582 -0.028 -5.982 1.00 0.00 N ATOM 943 CA LYS B 15 9.391 -0.267 -6.781 1.00 0.00 C ATOM 944 C LYS B 15 8.241 -0.725 -5.888 1.00 0.00 C ATOM 945 O LYS B 15 7.080 -0.704 -6.297 1.00 0.00 O ATOM 946 CB LYS B 15 9.671 -1.318 -7.857 1.00 0.00 C ATOM 947 CG LYS B 15 9.891 -0.729 -9.241 1.00 0.00 C ATOM 948 CD LYS B 15 9.289 -1.610 -10.323 1.00 0.00 C ATOM 949 CE LYS B 15 10.351 -2.109 -11.289 1.00 0.00 C ATOM 950 NZ LYS B 15 10.384 -1.307 -12.543 1.00 0.00 N ATOM 0 H LYS B 15 11.364 -0.649 -6.187 1.00 0.00 H new ATOM 0 HA LYS B 15 9.109 0.666 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.552 -1.892 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.835 -2.016 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS B 15 9.446 0.265 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.959 -0.609 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.785 -2.460 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.532 -1.049 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS B 15 11.328 -2.069 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.158 -3.154 -11.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.122 -1.680 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.460 -1.366 -13.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 10.593 -0.314 -12.315 1.00 0.00 H new ATOM 964 N GLU B 16 8.571 -1.136 -4.661 1.00 0.00 N ATOM 965 CA GLU B 16 7.568 -1.594 -3.713 1.00 0.00 C ATOM 966 C GLU B 16 6.914 -0.416 -2.999 1.00 0.00 C ATOM 967 O GLU B 16 5.729 -0.466 -2.676 1.00 0.00 O ATOM 968 CB GLU B 16 8.197 -2.542 -2.690 1.00 0.00 C ATOM 969 CG GLU B 16 7.201 -3.492 -2.044 1.00 0.00 C ATOM 970 CD GLU B 16 6.305 -4.177 -3.058 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.735 -4.333 -4.221 1.00 0.00 O ATOM 972 OE2 GLU B 16 5.174 -4.557 -2.690 1.00 0.00 O ATOM 0 H GLU B 16 9.527 -1.159 -4.306 1.00 0.00 H new ATOM 0 HA GLU B 16 6.798 -2.130 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU B 16 8.977 -3.125 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.681 -1.953 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.742 -4.247 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU B 16 6.585 -2.939 -1.335 1.00 0.00 H new ATOM 979 N ILE B 17 7.682 0.647 -2.754 1.00 0.00 N ATOM 980 CA ILE B 17 7.141 1.822 -2.081 1.00 0.00 C ATOM 981 C ILE B 17 6.249 2.622 -3.031 1.00 0.00 C ATOM 982 O ILE B 17 5.223 3.170 -2.627 1.00 0.00 O ATOM 983 CB ILE B 17 8.271 2.716 -1.500 1.00 0.00 C ATOM 984 CG1 ILE B 17 8.870 3.647 -2.563 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.361 1.848 -0.897 1.00 0.00 C ATOM 986 CD1 ILE B 17 8.198 5.001 -2.629 1.00 0.00 C ATOM 0 H ILE B 17 8.667 0.716 -3.009 1.00 0.00 H new ATOM 0 HA ILE B 17 6.533 1.477 -1.245 1.00 0.00 H new ATOM 0 HB ILE B 17 7.830 3.342 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE B 17 9.931 3.787 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.797 3.166 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE B 17 10.149 2.483 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE B 17 8.940 1.238 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE B 17 9.778 1.199 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE B 17 8.673 5.606 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.142 4.872 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.294 5.502 -1.666 1.00 0.00 H new ATOM 998 N GLU B 18 6.645 2.668 -4.301 1.00 0.00 N ATOM 999 CA GLU B 18 5.879 3.387 -5.310 1.00 0.00 C ATOM 1000 C GLU B 18 4.647 2.585 -5.712 1.00 0.00 C ATOM 1001 O GLU B 18 3.560 3.138 -5.883 1.00 0.00 O ATOM 1002 CB GLU B 18 6.746 3.667 -6.540 1.00 0.00 C ATOM 1003 CG GLU B 18 7.304 5.080 -6.581 1.00 0.00 C ATOM 1004 CD GLU B 18 7.642 5.532 -7.988 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.540 4.924 -8.608 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.007 6.494 -8.471 1.00 0.00 O ATOM 0 H GLU B 18 7.489 2.217 -4.653 1.00 0.00 H new ATOM 0 HA GLU B 18 5.557 4.337 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.573 2.958 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.154 3.493 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.577 5.767 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU B 18 8.200 5.131 -5.962 1.00 0.00 H new ATOM 1013 N ARG B 19 4.824 1.275 -5.852 1.00 0.00 N ATOM 1014 CA ARG B 19 3.726 0.395 -6.222 1.00 0.00 C ATOM 1015 C ARG B 19 2.745 0.253 -5.066 1.00 0.00 C ATOM 1016 O ARG B 19 1.560 -0.007 -5.272 1.00 0.00 O ATOM 1017 CB ARG B 19 4.258 -0.980 -6.630 1.00 0.00 C ATOM 1018 CG ARG B 19 4.987 -0.978 -7.964 1.00 0.00 C ATOM 1019 CD ARG B 19 4.090 -1.461 -9.091 1.00 0.00 C ATOM 1020 NE ARG B 19 3.368 -0.362 -9.727 1.00 0.00 N ATOM 1021 CZ ARG B 19 2.374 -0.536 -10.591 1.00 0.00 C ATOM 1022 NH1 ARG B 19 1.985 -1.761 -10.920 1.00 0.00 N ATOM 1023 NH2 ARG B 19 1.767 0.514 -11.127 1.00 0.00 N ATOM 0 H ARG B 19 5.717 0.802 -5.715 1.00 0.00 H new ATOM 0 HA ARG B 19 3.205 0.836 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG B 19 4.934 -1.343 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.426 -1.682 -6.681 1.00 0.00 H new ATOM 0 HG2 ARG B 19 5.340 0.029 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG B 19 5.867 -1.617 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.693 -1.978 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.376 -2.186 -8.700 1.00 0.00 H new ATOM 0 HE ARG B 19 3.642 0.593 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG B 19 2.449 -2.571 -10.509 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.222 -1.893 -11.584 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.063 1.457 -10.876 1.00 0.00 H new ATOM 0 HH22 ARG B 19 1.004 0.378 -11.790 1.00 0.00 H new ATOM 1037 N LEU B 20 3.244 0.438 -3.847 1.00 0.00 N ATOM 1038 CA LEU B 20 2.408 0.341 -2.661 1.00 0.00 C ATOM 1039 C LEU B 20 1.464 1.534 -2.590 1.00 0.00 C ATOM 1040 O LEU B 20 0.280 1.383 -2.299 1.00 0.00 O ATOM 1041 CB LEU B 20 3.268 0.273 -1.397 1.00 0.00 C ATOM 1042 CG LEU B 20 3.481 -1.132 -0.826 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.265 -1.569 -0.023 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.770 -2.129 -1.939 1.00 0.00 C ATOM 0 H LEU B 20 4.222 0.656 -3.658 1.00 0.00 H new ATOM 0 HA LEU B 20 1.820 -0.575 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.242 0.710 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.806 0.893 -0.629 1.00 0.00 H new ATOM 0 HG LEU B 20 4.344 -1.103 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.433 -2.569 0.376 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.103 -0.873 0.800 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.387 -1.578 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.918 -3.120 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.929 -2.155 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.671 -1.827 -2.473 1.00 0.00 H new ATOM 1056 N GLN B 21 1.999 2.722 -2.866 1.00 0.00 N ATOM 1057 CA GLN B 21 1.198 3.941 -2.843 1.00 0.00 C ATOM 1058 C GLN B 21 0.062 3.855 -3.858 1.00 0.00 C ATOM 1059 O GLN B 21 -1.093 4.147 -3.542 1.00 0.00 O ATOM 1060 CB GLN B 21 2.076 5.157 -3.143 1.00 0.00 C ATOM 1061 CG GLN B 21 1.423 6.483 -2.786 1.00 0.00 C ATOM 1062 CD GLN B 21 2.012 7.649 -3.555 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.489 8.049 -4.595 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.107 8.201 -3.046 1.00 0.00 N ATOM 0 H GLN B 21 2.980 2.865 -3.107 1.00 0.00 H new ATOM 0 HA GLN B 21 0.768 4.051 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.012 5.063 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.328 5.160 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.353 6.423 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.536 6.663 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.507 7.837 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.548 8.989 -3.520 1.00 0.00 H new ATOM 1073 N LYS B 22 0.398 3.443 -5.077 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.590 3.310 -6.141 1.00 0.00 C ATOM 1075 C LYS B 22 -1.623 2.246 -5.786 1.00 0.00 C ATOM 1076 O LYS B 22 -2.787 2.341 -6.174 1.00 0.00 O ATOM 1077 CB LYS B 22 0.103 2.948 -7.456 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.604 3.483 -8.695 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.905 2.742 -8.988 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.741 1.231 -8.894 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.629 0.515 -9.853 1.00 0.00 N ATOM 0 H LYS B 22 1.349 3.195 -5.352 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.103 4.265 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.122 3.334 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.175 1.863 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.816 4.544 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.061 3.398 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -2.672 3.067 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.255 3.006 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.703 0.965 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.965 0.904 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.629 -0.502 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.597 0.886 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -2.282 0.660 -10.822 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.186 1.234 -5.044 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.068 0.147 -4.635 1.00 0.00 C ATOM 1097 C GLU B 23 -3.092 0.627 -3.611 1.00 0.00 C ATOM 1098 O GLU B 23 -4.233 0.162 -3.594 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.250 -1.006 -4.051 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.098 -2.170 -3.564 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.301 -3.173 -2.753 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.662 -2.761 -1.764 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.317 -4.371 -3.109 1.00 0.00 O ATOM 0 H GLU B 23 -0.225 1.144 -4.713 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.603 -0.203 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.554 -1.367 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -0.651 -0.631 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.919 -1.788 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.544 -2.674 -4.422 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.684 1.564 -2.760 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.579 2.099 -1.741 1.00 0.00 C ATOM 1112 C ILE B 24 -4.699 2.906 -2.398 1.00 0.00 C ATOM 1113 O ILE B 24 -5.866 2.797 -2.020 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.820 2.952 -0.669 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.833 4.454 -0.992 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.384 2.471 -0.511 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.126 5.136 -0.597 1.00 0.00 C ATOM 0 H ILE B 24 -1.746 1.966 -2.756 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.017 1.254 -1.209 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.355 2.813 0.271 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -2.003 4.937 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.669 4.591 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.877 3.079 0.239 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.382 1.428 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.863 2.562 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.072 6.194 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.958 4.677 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.281 5.028 0.477 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.329 3.707 -3.395 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.295 4.522 -4.116 1.00 0.00 C ATOM 1131 C GLU B 25 -6.346 3.636 -4.773 1.00 0.00 C ATOM 1132 O GLU B 25 -7.538 3.945 -4.751 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.592 5.374 -5.175 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.377 6.610 -5.583 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.498 7.834 -5.741 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.267 7.707 -5.573 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -5.041 8.921 -6.034 1.00 0.00 O ATOM 0 H GLU B 25 -3.367 3.807 -3.719 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.787 5.185 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.618 5.682 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.409 4.762 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.893 6.414 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.144 6.812 -4.835 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.894 2.525 -5.347 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.795 1.584 -5.999 1.00 0.00 C ATOM 1146 C ARG B 26 -7.813 1.050 -4.999 1.00 0.00 C ATOM 1147 O ARG B 26 -8.988 0.872 -5.324 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.005 0.427 -6.613 1.00 0.00 C ATOM 1149 CG ARG B 26 -5.676 0.628 -8.083 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.930 0.877 -8.906 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.936 2.208 -9.506 1.00 0.00 N ATOM 1152 CZ ARG B 26 -8.029 2.798 -9.977 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -9.199 2.177 -9.917 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -7.954 4.011 -10.509 1.00 0.00 N ATOM 0 H ARG B 26 -4.911 2.256 -5.373 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.324 2.107 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.077 0.296 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.578 -0.494 -6.500 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -4.994 1.472 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -5.158 -0.252 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.003 0.125 -9.692 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.809 0.762 -8.272 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.052 2.713 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -9.261 1.244 -9.509 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.037 2.632 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.056 4.492 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.794 4.462 -10.870 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.357 0.812 -3.772 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.232 0.315 -2.723 1.00 0.00 C ATOM 1170 C HIS B 27 -9.267 1.373 -2.364 1.00 0.00 C ATOM 1171 O HIS B 27 -10.374 1.054 -1.933 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.419 -0.068 -1.486 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.373 -1.542 -1.234 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.498 -2.298 -0.979 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.328 -2.403 -1.200 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.148 -3.559 -0.798 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -6.837 -3.649 -0.928 1.00 0.00 N ATOM 0 H HIS B 27 -6.389 0.956 -3.484 1.00 0.00 H new ATOM 0 HA HIS B 27 -8.746 -0.574 -3.088 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.401 0.305 -1.600 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -7.844 0.428 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.289 -2.156 -1.357 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.819 -4.377 -0.581 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.291 -4.506 -0.840 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.895 2.636 -2.554 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.785 3.751 -2.260 1.00 0.00 C ATOM 1188 C LYS B 28 -10.891 3.845 -3.304 1.00 0.00 C ATOM 1189 O LYS B 28 -12.004 4.279 -3.007 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.998 5.061 -2.210 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.009 5.133 -1.058 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.208 6.425 -1.091 1.00 0.00 C ATOM 1193 CE LYS B 28 -8.022 7.600 -0.577 1.00 0.00 C ATOM 1194 NZ LYS B 28 -7.171 8.606 0.115 1.00 0.00 N ATOM 0 H LYS B 28 -7.980 2.911 -2.911 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.241 3.577 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -8.459 5.187 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.698 5.893 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.545 5.060 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.330 4.282 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.309 6.312 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.882 6.626 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.540 8.075 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.787 7.238 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.765 9.391 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.696 8.160 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.457 8.971 -0.547 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.576 3.432 -4.528 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.545 3.464 -5.616 1.00 0.00 C ATOM 1210 C GLN B 29 -12.624 2.408 -5.411 1.00 0.00 C ATOM 1211 O GLN B 29 -13.804 2.656 -5.657 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.844 3.243 -6.958 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.767 3.385 -8.157 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.756 4.784 -8.739 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.976 5.088 -9.642 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -12.624 5.647 -8.224 1.00 0.00 N ATOM 0 H GLN B 29 -9.658 3.072 -4.790 1.00 0.00 H new ATOM 0 HA GLN B 29 -12.019 4.446 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -10.026 3.957 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.401 2.247 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.469 2.673 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.784 3.127 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -13.253 5.353 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -12.662 6.604 -8.576 1.00 0.00 H new ATOM 1225 N SER B 30 -12.212 1.228 -4.957 1.00 0.00 N ATOM 1226 CA SER B 30 -13.147 0.135 -4.715 1.00 0.00 C ATOM 1227 C SER B 30 -14.061 0.452 -3.536 1.00 0.00 C ATOM 1228 O SER B 30 -15.270 0.226 -3.595 1.00 0.00 O ATOM 1229 CB SER B 30 -12.386 -1.166 -4.450 1.00 0.00 C ATOM 1230 OG SER B 30 -12.988 -2.255 -5.127 1.00 0.00 O ATOM 0 H SER B 30 -11.239 1.005 -4.750 1.00 0.00 H new ATOM 0 HA SER B 30 -13.763 0.013 -5.606 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.351 -1.059 -4.775 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.364 -1.367 -3.379 1.00 0.00 H new ATOM 0 HG SER B 30 -12.482 -3.074 -4.943 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.475 0.975 -2.464 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.232 1.325 -1.264 1.00 0.00 C ATOM 1238 C ILE B 31 -15.127 2.535 -1.509 1.00 0.00 C ATOM 1239 O ILE B 31 -16.150 2.707 -0.845 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.292 1.617 -0.075 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -14.086 2.004 1.171 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.316 2.730 -0.425 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.781 0.841 1.834 1.00 0.00 C ATOM 0 H ILE B 31 -12.475 1.167 -2.400 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.856 0.466 -1.019 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.734 0.705 0.137 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.412 2.471 1.890 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.830 2.753 0.899 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.662 2.921 0.426 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.716 2.431 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.870 3.637 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.324 1.193 2.711 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.481 0.387 1.132 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -14.041 0.101 2.139 1.00 0.00 H new