USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 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= -3.89 F(o=-9.3!,f=-7.3) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -3.44 K(o=-7.3,f=-11!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.12) 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+ -118:sc= 0.0123 (180deg=-0.0186) USER MOD Single : A 27 HIS : no HD1:sc= -3.4 X(o=-3.4,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.249 K(o=-0.25,f=-2!) 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 180:sc= 0 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+ -106:sc= 0.0552 (180deg=-0.0212) USER MOD Single : B 27 HIS : no HD1:sc= -3.64 X(o=-3.6,f=-3.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.8!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N HIS A 13 -12.706 -2.508 2.707 1.00 0.00 N ATOM 205 CA HIS A 13 -12.020 -1.606 1.788 1.00 0.00 C ATOM 206 C HIS A 13 -11.556 -0.358 2.525 1.00 0.00 C ATOM 207 O HIS A 13 -10.602 0.296 2.113 1.00 0.00 O ATOM 208 CB HIS A 13 -12.922 -1.195 0.625 1.00 0.00 C ATOM 209 CG HIS A 13 -13.628 -2.323 -0.048 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.111 -3.596 -0.148 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.825 -2.350 -0.668 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.965 -4.362 -0.806 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.013 -3.628 -1.133 1.00 0.00 N ATOM 0 HA HIS A 13 -11.160 -2.142 1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.665 -0.487 0.993 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.319 -0.669 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.508 -1.521 -0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.829 -5.408 -1.036 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.830 -3.957 -1.648 1.00 0.00 H new ATOM 222 N ALA A 14 -12.242 -0.033 3.620 1.00 0.00 N ATOM 223 CA ALA A 14 -11.894 1.137 4.414 1.00 0.00 C ATOM 224 C ALA A 14 -10.580 0.903 5.140 1.00 0.00 C ATOM 225 O ALA A 14 -9.631 1.674 4.991 1.00 0.00 O ATOM 226 CB ALA A 14 -13.004 1.459 5.405 1.00 0.00 C ATOM 0 H ALA A 14 -13.038 -0.563 3.974 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.776 1.991 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.727 2.336 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.928 1.661 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.153 0.610 6.073 1.00 0.00 H new ATOM 232 N LYS A 15 -10.522 -0.180 5.905 1.00 0.00 N ATOM 233 CA LYS A 15 -9.310 -0.527 6.626 1.00 0.00 C ATOM 234 C LYS A 15 -8.213 -0.947 5.649 1.00 0.00 C ATOM 235 O LYS A 15 -7.045 -1.055 6.024 1.00 0.00 O ATOM 236 CB LYS A 15 -9.585 -1.655 7.623 1.00 0.00 C ATOM 237 CG LYS A 15 -10.019 -1.164 8.994 1.00 0.00 C ATOM 238 CD LYS A 15 -8.854 -0.563 9.763 1.00 0.00 C ATOM 239 CE LYS A 15 -9.049 0.926 9.998 1.00 0.00 C ATOM 240 NZ LYS A 15 -9.510 1.215 11.384 1.00 0.00 N ATOM 0 H LYS A 15 -11.298 -0.829 6.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.973 0.351 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.360 -2.306 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.685 -2.260 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.806 -0.419 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.443 -1.993 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.748 -1.072 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.929 -0.727 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.111 1.449 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.777 1.313 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.631 2.241 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.418 0.737 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.804 0.869 12.064 1.00 0.00 H new ATOM 254 N GLU A 16 -8.596 -1.183 4.391 1.00 0.00 N ATOM 255 CA GLU A 16 -7.644 -1.590 3.368 1.00 0.00 C ATOM 256 C GLU A 16 -6.931 -0.384 2.769 1.00 0.00 C ATOM 257 O GLU A 16 -5.738 -0.445 2.493 1.00 0.00 O ATOM 258 CB GLU A 16 -8.353 -2.379 2.265 1.00 0.00 C ATOM 259 CG GLU A 16 -8.065 -3.871 2.304 1.00 0.00 C ATOM 260 CD GLU A 16 -8.164 -4.449 3.702 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.656 -3.738 4.605 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.751 -5.611 3.896 1.00 0.00 O ATOM 0 H GLU A 16 -9.558 -1.098 4.062 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.898 -2.229 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.428 -2.222 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.050 -1.984 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.766 -4.390 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.066 -4.055 1.909 1.00 0.00 H new ATOM 269 N ILE A 17 -7.659 0.715 2.574 1.00 0.00 N ATOM 270 CA ILE A 17 -7.059 1.922 2.015 1.00 0.00 C ATOM 271 C ILE A 17 -6.188 2.615 3.059 1.00 0.00 C ATOM 272 O ILE A 17 -5.152 3.196 2.733 1.00 0.00 O ATOM 273 CB ILE A 17 -8.136 2.900 1.490 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.499 4.223 1.043 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.197 3.144 2.551 1.00 0.00 C ATOM 276 CD1 ILE A 17 -8.508 5.297 0.699 1.00 0.00 C ATOM 0 H ILE A 17 -8.652 0.793 2.792 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.437 1.622 1.172 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.616 2.447 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.848 4.589 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.868 4.037 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.946 3.834 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.674 2.200 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.732 3.573 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.985 6.203 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.144 4.951 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.123 5.512 1.573 1.00 0.00 H new ATOM 288 N GLU A 18 -6.609 2.537 4.317 1.00 0.00 N ATOM 289 CA GLU A 18 -5.862 3.148 5.409 1.00 0.00 C ATOM 290 C GLU A 18 -4.639 2.307 5.758 1.00 0.00 C ATOM 291 O GLU A 18 -3.554 2.839 5.998 1.00 0.00 O ATOM 292 CB GLU A 18 -6.755 3.313 6.640 1.00 0.00 C ATOM 293 CG GLU A 18 -7.034 4.762 6.998 1.00 0.00 C ATOM 294 CD GLU A 18 -8.113 4.904 8.053 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.743 3.883 8.399 1.00 0.00 O ATOM 296 OE2 GLU A 18 -8.330 6.037 8.533 1.00 0.00 O ATOM 0 H GLU A 18 -7.462 2.057 4.605 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.526 4.133 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.702 2.802 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.282 2.822 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.116 5.227 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.335 5.303 6.101 1.00 0.00 H new ATOM 303 N ARG A 19 -4.818 0.989 5.780 1.00 0.00 N ATOM 304 CA ARG A 19 -3.724 0.080 6.094 1.00 0.00 C ATOM 305 C ARG A 19 -2.741 0.000 4.932 1.00 0.00 C ATOM 306 O ARG A 19 -1.564 -0.303 5.122 1.00 0.00 O ATOM 307 CB ARG A 19 -4.263 -1.314 6.422 1.00 0.00 C ATOM 308 CG ARG A 19 -4.973 -1.391 7.764 1.00 0.00 C ATOM 309 CD ARG A 19 -4.028 -1.073 8.913 1.00 0.00 C ATOM 310 NE ARG A 19 -4.000 0.354 9.220 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.035 0.937 9.923 1.00 0.00 C ATOM 312 NH1 ARG A 19 -2.025 0.216 10.391 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.080 2.241 10.161 1.00 0.00 N ATOM 0 H ARG A 19 -5.708 0.530 5.585 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.200 0.468 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.954 -1.622 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.437 -2.025 6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.809 -0.692 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.390 -2.389 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.335 -1.628 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.023 -1.409 8.659 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.764 0.936 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.988 -0.787 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.285 0.665 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.856 2.798 9.804 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.338 2.687 10.701 1.00 0.00 H new ATOM 327 N LEU A 20 -3.230 0.285 3.730 1.00 0.00 N ATOM 328 CA LEU A 20 -2.388 0.256 2.543 1.00 0.00 C ATOM 329 C LEU A 20 -1.465 1.465 2.532 1.00 0.00 C ATOM 330 O LEU A 20 -0.293 1.359 2.171 1.00 0.00 O ATOM 331 CB LEU A 20 -3.244 0.233 1.273 1.00 0.00 C ATOM 332 CG LEU A 20 -3.504 -1.157 0.683 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.309 -1.619 -0.137 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.818 -2.164 1.781 1.00 0.00 C ATOM 0 H LEU A 20 -4.202 0.538 3.554 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.786 -0.652 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.203 0.701 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.756 0.846 0.515 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.371 -1.090 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.511 -2.608 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.133 -0.916 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.426 -1.665 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.999 -3.143 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.974 -2.228 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.706 -1.843 2.326 1.00 0.00 H new ATOM 346 N GLN A 21 -1.998 2.613 2.940 1.00 0.00 N ATOM 347 CA GLN A 21 -1.217 3.842 2.989 1.00 0.00 C ATOM 348 C GLN A 21 -0.065 3.699 3.978 1.00 0.00 C ATOM 349 O GLN A 21 1.088 3.992 3.654 1.00 0.00 O ATOM 350 CB GLN A 21 -2.103 5.023 3.384 1.00 0.00 C ATOM 351 CG GLN A 21 -2.928 5.578 2.233 1.00 0.00 C ATOM 352 CD GLN A 21 -2.966 7.093 2.221 1.00 0.00 C ATOM 353 OE1 GLN A 21 -3.880 7.707 2.770 1.00 0.00 O ATOM 354 NE2 GLN A 21 -1.969 7.704 1.591 1.00 0.00 N ATOM 0 H GLN A 21 -2.967 2.716 3.241 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.807 4.029 1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.775 4.711 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.476 5.818 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.515 5.221 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.946 5.193 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.232 7.154 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.941 8.723 1.549 1.00 0.00 H new ATOM 363 N LYS A 22 -0.382 3.239 5.185 1.00 0.00 N ATOM 364 CA LYS A 22 0.630 3.050 6.216 1.00 0.00 C ATOM 365 C LYS A 22 1.639 1.992 5.784 1.00 0.00 C ATOM 366 O LYS A 22 2.807 2.035 6.171 1.00 0.00 O ATOM 367 CB LYS A 22 -0.023 2.641 7.538 1.00 0.00 C ATOM 368 CG LYS A 22 -0.066 3.760 8.566 1.00 0.00 C ATOM 369 CD LYS A 22 1.330 4.149 9.024 1.00 0.00 C ATOM 370 CE LYS A 22 1.835 5.380 8.287 1.00 0.00 C ATOM 371 NZ LYS A 22 2.487 6.349 9.210 1.00 0.00 N ATOM 0 H LYS A 22 -1.329 2.991 5.471 1.00 0.00 H new ATOM 0 HA LYS A 22 1.152 3.996 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.039 2.300 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.522 1.795 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.565 4.629 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.657 3.444 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.321 4.344 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.014 3.317 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.545 5.077 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.002 5.866 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.961 7.246 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.491 5.961 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.466 6.518 8.901 1.00 0.00 H new ATOM 385 N GLU A 23 1.177 1.046 4.973 1.00 0.00 N ATOM 386 CA GLU A 23 2.032 -0.026 4.481 1.00 0.00 C ATOM 387 C GLU A 23 3.067 0.515 3.500 1.00 0.00 C ATOM 388 O GLU A 23 4.208 0.051 3.469 1.00 0.00 O ATOM 389 CB GLU A 23 1.189 -1.111 3.807 1.00 0.00 C ATOM 390 CG GLU A 23 1.233 -2.449 4.527 1.00 0.00 C ATOM 391 CD GLU A 23 0.007 -2.687 5.387 1.00 0.00 C ATOM 392 OE1 GLU A 23 -0.033 -2.165 6.521 1.00 0.00 O ATOM 393 OE2 GLU A 23 -0.913 -3.396 4.927 1.00 0.00 O ATOM 0 H GLU A 23 0.213 1.001 4.643 1.00 0.00 H new ATOM 0 HA GLU A 23 2.556 -0.461 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.155 -0.772 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.537 -1.247 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.319 -3.250 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.125 -2.492 5.152 1.00 0.00 H new ATOM 400 N ILE A 24 2.666 1.500 2.701 1.00 0.00 N ATOM 401 CA ILE A 24 3.572 2.095 1.727 1.00 0.00 C ATOM 402 C ILE A 24 4.698 2.840 2.445 1.00 0.00 C ATOM 403 O ILE A 24 5.862 2.761 2.053 1.00 0.00 O ATOM 404 CB ILE A 24 2.829 3.034 0.719 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.823 4.501 1.177 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.401 2.560 0.492 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.113 5.226 0.860 1.00 0.00 C ATOM 0 H ILE A 24 1.727 1.899 2.709 1.00 0.00 H new ATOM 0 HA ILE A 24 4.002 1.285 1.138 1.00 0.00 H new ATOM 0 HB ILE A 24 3.382 2.983 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.993 5.022 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.646 4.539 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.904 3.227 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.414 1.549 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.861 2.564 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.046 6.257 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.943 4.727 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.280 5.217 -0.217 1.00 0.00 H new ATOM 419 N GLU A 25 4.335 3.558 3.504 1.00 0.00 N ATOM 420 CA GLU A 25 5.306 4.310 4.287 1.00 0.00 C ATOM 421 C GLU A 25 6.375 3.378 4.844 1.00 0.00 C ATOM 422 O GLU A 25 7.565 3.685 4.800 1.00 0.00 O ATOM 423 CB GLU A 25 4.611 5.052 5.430 1.00 0.00 C ATOM 424 CG GLU A 25 5.349 6.302 5.881 1.00 0.00 C ATOM 425 CD GLU A 25 4.449 7.275 6.617 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.356 7.583 6.098 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.838 7.730 7.714 1.00 0.00 O ATOM 0 H GLU A 25 3.374 3.634 3.838 1.00 0.00 H new ATOM 0 HA GLU A 25 5.783 5.041 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.605 5.328 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.505 4.377 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.177 6.017 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.781 6.798 5.012 1.00 0.00 H new ATOM 434 N ARG A 26 5.940 2.232 5.361 1.00 0.00 N ATOM 435 CA ARG A 26 6.861 1.251 5.918 1.00 0.00 C ATOM 436 C ARG A 26 7.906 0.853 4.881 1.00 0.00 C ATOM 437 O ARG A 26 9.105 0.842 5.164 1.00 0.00 O ATOM 438 CB ARG A 26 6.098 0.012 6.393 1.00 0.00 C ATOM 439 CG ARG A 26 6.734 -0.673 7.592 1.00 0.00 C ATOM 440 CD ARG A 26 6.873 0.280 8.768 1.00 0.00 C ATOM 441 NE ARG A 26 5.635 1.009 9.030 1.00 0.00 N ATOM 442 CZ ARG A 26 4.573 0.469 9.620 1.00 0.00 C ATOM 443 NH1 ARG A 26 4.601 -0.799 10.007 1.00 0.00 N ATOM 444 NH2 ARG A 26 3.484 1.197 9.824 1.00 0.00 N ATOM 0 H ARG A 26 4.957 1.962 5.405 1.00 0.00 H new ATOM 0 HA ARG A 26 7.367 1.702 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.078 0.300 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.032 -0.701 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.128 -1.530 7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.716 -1.057 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.159 -0.281 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.676 0.989 8.567 1.00 0.00 H new ATOM 0 HE ARG A 26 5.582 1.987 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.438 -1.361 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.786 -1.212 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.460 2.173 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.670 0.781 10.277 1.00 0.00 H new ATOM 458 N HIS A 27 7.442 0.537 3.676 1.00 0.00 N ATOM 459 CA HIS A 27 8.338 0.149 2.594 1.00 0.00 C ATOM 460 C HIS A 27 9.262 1.305 2.226 1.00 0.00 C ATOM 461 O HIS A 27 10.360 1.094 1.710 1.00 0.00 O ATOM 462 CB HIS A 27 7.534 -0.289 1.368 1.00 0.00 C ATOM 463 CG HIS A 27 7.540 -1.769 1.147 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.696 -2.499 0.966 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.521 -2.659 1.078 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.388 -3.773 0.794 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.076 -3.896 0.859 1.00 0.00 N ATOM 0 H HIS A 27 6.453 0.542 3.425 1.00 0.00 H new ATOM 0 HA HIS A 27 8.945 -0.690 2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.504 0.049 1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.938 0.204 0.484 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.469 -2.437 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.091 -4.576 0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.557 -4.769 0.762 1.00 0.00 H new ATOM 476 N LYS A 28 8.811 2.526 2.498 1.00 0.00 N ATOM 477 CA LYS A 28 9.596 3.718 2.200 1.00 0.00 C ATOM 478 C LYS A 28 10.771 3.848 3.163 1.00 0.00 C ATOM 479 O LYS A 28 11.852 4.298 2.781 1.00 0.00 O ATOM 480 CB LYS A 28 8.715 4.966 2.283 1.00 0.00 C ATOM 481 CG LYS A 28 9.443 6.248 1.913 1.00 0.00 C ATOM 482 CD LYS A 28 10.127 6.869 3.120 1.00 0.00 C ATOM 483 CE LYS A 28 9.348 8.060 3.651 1.00 0.00 C ATOM 484 NZ LYS A 28 10.150 9.314 3.610 1.00 0.00 N ATOM 0 H LYS A 28 7.904 2.715 2.925 1.00 0.00 H new ATOM 0 HA LYS A 28 9.987 3.623 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.858 4.841 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.325 5.059 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.184 6.037 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.735 6.960 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.230 6.121 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.134 7.184 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.440 8.191 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.037 7.862 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.582 10.102 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.004 9.199 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.425 9.518 2.628 1.00 0.00 H new ATOM 498 N GLN A 29 10.552 3.451 4.412 1.00 0.00 N ATOM 499 CA GLN A 29 11.593 3.524 5.431 1.00 0.00 C ATOM 500 C GLN A 29 12.649 2.448 5.210 1.00 0.00 C ATOM 501 O GLN A 29 13.822 2.643 5.526 1.00 0.00 O ATOM 502 CB GLN A 29 10.982 3.376 6.826 1.00 0.00 C ATOM 503 CG GLN A 29 11.604 4.297 7.861 1.00 0.00 C ATOM 504 CD GLN A 29 10.738 5.503 8.165 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.519 5.464 8.001 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.365 6.586 8.612 1.00 0.00 N ATOM 0 H GLN A 29 9.663 3.075 4.743 1.00 0.00 H new ATOM 0 HA GLN A 29 12.073 4.499 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.912 3.577 6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.095 2.343 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.778 3.739 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.577 4.634 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.378 6.575 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.834 7.428 8.834 1.00 0.00 H new ATOM 515 N SER A 30 12.226 1.311 4.668 1.00 0.00 N ATOM 516 CA SER A 30 13.140 0.205 4.405 1.00 0.00 C ATOM 517 C SER A 30 14.036 0.515 3.209 1.00 0.00 C ATOM 518 O SER A 30 15.210 0.151 3.189 1.00 0.00 O ATOM 519 CB SER A 30 12.355 -1.083 4.150 1.00 0.00 C ATOM 520 OG SER A 30 13.108 -2.223 4.530 1.00 0.00 O ATOM 0 H SER A 30 11.258 1.131 4.403 1.00 0.00 H new ATOM 0 HA SER A 30 13.771 0.069 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.419 -1.059 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.094 -1.151 3.094 1.00 0.00 H new ATOM 0 HG SER A 30 12.584 -3.033 4.359 1.00 0.00 H new ATOM 526 N ILE A 31 13.468 1.190 2.215 1.00 0.00 N ATOM 527 CA ILE A 31 14.205 1.553 1.010 1.00 0.00 C ATOM 528 C ILE A 31 15.231 2.646 1.300 1.00 0.00 C ATOM 529 O ILE A 31 16.318 2.660 0.720 1.00 0.00 O ATOM 530 CB ILE A 31 13.243 2.027 -0.098 1.00 0.00 C ATOM 531 CG1 ILE A 31 14.006 2.496 -1.338 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.349 3.142 0.419 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.764 1.394 -2.039 1.00 0.00 C ATOM 0 H ILE A 31 12.496 1.498 2.221 1.00 0.00 H new ATOM 0 HA ILE A 31 14.731 0.662 0.668 1.00 0.00 H new ATOM 0 HB ILE A 31 12.624 1.177 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.301 2.943 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.707 3.279 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.676 3.466 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.765 2.778 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.964 3.983 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.280 1.803 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.494 0.962 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.067 0.621 -2.361 1.00 0.00 H new ATOM 545 N LYS A 32 14.884 3.556 2.203 1.00 0.00 N ATOM 546 CA LYS A 32 15.781 4.647 2.569 1.00 0.00 C ATOM 547 C LYS A 32 16.888 4.150 3.490 1.00 0.00 C ATOM 548 O LYS A 32 18.021 4.627 3.432 1.00 0.00 O ATOM 549 CB LYS A 32 15.000 5.773 3.247 1.00 0.00 C ATOM 550 CG LYS A 32 14.336 6.729 2.270 1.00 0.00 C ATOM 551 CD LYS A 32 15.309 7.789 1.778 1.00 0.00 C ATOM 552 CE LYS A 32 14.722 8.594 0.631 1.00 0.00 C ATOM 553 NZ LYS A 32 14.466 10.008 1.017 1.00 0.00 N ATOM 0 H LYS A 32 13.990 3.561 2.694 1.00 0.00 H new ATOM 0 HA LYS A 32 16.237 5.033 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.236 5.337 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.676 6.336 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.946 6.169 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.485 7.210 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.566 8.458 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.234 7.313 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.406 8.568 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.790 8.133 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.066 10.522 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.794 10.035 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.359 10.456 1.305 1.00 0.00 H new ATOM 567 N LYS A 33 16.554 3.182 4.338 1.00 0.00 N ATOM 568 CA LYS A 33 17.521 2.615 5.269 1.00 0.00 C ATOM 569 C LYS A 33 18.486 1.691 4.537 1.00 0.00 C ATOM 570 O LYS A 33 19.636 1.525 4.946 1.00 0.00 O ATOM 571 CB LYS A 33 16.804 1.848 6.381 1.00 0.00 C ATOM 572 CG LYS A 33 16.703 2.622 7.686 1.00 0.00 C ATOM 573 CD LYS A 33 15.732 1.961 8.652 1.00 0.00 C ATOM 574 CE LYS A 33 15.597 2.760 9.938 1.00 0.00 C ATOM 575 NZ LYS A 33 15.425 1.877 11.125 1.00 0.00 N ATOM 0 H LYS A 33 15.621 2.775 4.399 1.00 0.00 H new ATOM 0 HA LYS A 33 18.088 3.432 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.801 1.588 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.331 0.912 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.688 2.689 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.377 3.642 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.755 1.864 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.076 0.953 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.482 3.382 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.743 3.433 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.337 2.460 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.567 1.301 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.251 1.252 11.215 1.00 0.00 H new ATOM 885 N SER B 11 16.469 -2.083 -4.992 1.00 0.00 N ATOM 886 CA SER B 11 15.589 -1.870 -6.133 1.00 0.00 C ATOM 887 C SER B 11 14.199 -2.432 -5.863 1.00 0.00 C ATOM 888 O SER B 11 13.214 -1.991 -6.458 1.00 0.00 O ATOM 889 CB SER B 11 16.181 -2.520 -7.386 1.00 0.00 C ATOM 890 OG SER B 11 15.912 -3.911 -7.415 1.00 0.00 O ATOM 0 HA SER B 11 15.499 -0.796 -6.295 1.00 0.00 H new ATOM 0 HB2 SER B 11 15.765 -2.047 -8.276 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.258 -2.354 -7.411 1.00 0.00 H new ATOM 0 HG SER B 11 16.299 -4.302 -8.226 1.00 0.00 H new ATOM 896 N HIS B 12 14.122 -3.409 -4.965 1.00 0.00 N ATOM 897 CA HIS B 12 12.850 -4.027 -4.626 1.00 0.00 C ATOM 898 C HIS B 12 12.039 -3.114 -3.701 1.00 0.00 C ATOM 899 O HIS B 12 10.833 -2.949 -3.887 1.00 0.00 O ATOM 900 CB HIS B 12 13.097 -5.430 -4.023 1.00 0.00 C ATOM 901 CG HIS B 12 12.411 -5.720 -2.718 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.914 -5.863 -1.471 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 11.048 -5.901 -2.604 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 11.857 -6.124 -0.634 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 10.742 -6.142 -1.342 1.00 0.00 N flip ATOM 0 H HIS B 12 14.924 -3.787 -4.461 1.00 0.00 H new ATOM 0 HA HIS B 12 12.252 -4.162 -5.527 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.779 -6.177 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.170 -5.559 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.342 -5.853 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.926 -6.288 0.431 1.00 0.00 H new ATOM 0 HE2 HIS B 12 9.805 -6.313 -0.977 1.00 0.00 H new ATOM 914 N HIS B 13 12.703 -2.510 -2.717 1.00 0.00 N ATOM 915 CA HIS B 13 12.018 -1.608 -1.799 1.00 0.00 C ATOM 916 C HIS B 13 11.554 -0.361 -2.538 1.00 0.00 C ATOM 917 O HIS B 13 10.599 0.292 -2.126 1.00 0.00 O ATOM 918 CB HIS B 13 12.921 -1.193 -0.641 1.00 0.00 C ATOM 919 CG HIS B 13 13.627 -2.319 0.034 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.111 -3.593 0.138 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.825 -2.346 0.656 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.964 -4.357 0.797 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.013 -3.623 1.122 1.00 0.00 N ATOM 0 H HIS B 13 13.700 -2.627 -2.538 1.00 0.00 H new ATOM 0 HA HIS B 13 11.159 -2.144 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.664 -0.487 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.320 -0.664 0.098 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.508 -1.517 0.766 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.827 -5.403 1.030 1.00 0.00 H new ATOM 0 HE2 HIS B 13 15.830 -3.952 1.636 1.00 0.00 H new ATOM 932 N ALA B 14 12.241 -0.034 -3.630 1.00 0.00 N ATOM 933 CA ALA B 14 11.896 1.135 -4.424 1.00 0.00 C ATOM 934 C ALA B 14 10.581 0.903 -5.148 1.00 0.00 C ATOM 935 O ALA B 14 9.633 1.674 -4.999 1.00 0.00 O ATOM 936 CB ALA B 14 13.005 1.454 -5.415 1.00 0.00 C ATOM 0 H ALA B 14 13.038 -0.564 -3.982 1.00 0.00 H new ATOM 0 HA ALA B 14 11.781 1.990 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.729 2.331 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.930 1.655 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.152 0.605 -6.082 1.00 0.00 H new ATOM 942 N LYS B 15 10.521 -0.180 -5.913 1.00 0.00 N ATOM 943 CA LYS B 15 9.309 -0.527 -6.633 1.00 0.00 C ATOM 944 C LYS B 15 8.213 -0.947 -5.654 1.00 0.00 C ATOM 945 O LYS B 15 7.045 -1.058 -6.028 1.00 0.00 O ATOM 946 CB LYS B 15 9.582 -1.655 -7.630 1.00 0.00 C ATOM 947 CG LYS B 15 10.015 -1.163 -9.001 1.00 0.00 C ATOM 948 CD LYS B 15 8.851 -0.561 -9.771 1.00 0.00 C ATOM 949 CE LYS B 15 9.046 0.928 -10.003 1.00 0.00 C ATOM 950 NZ LYS B 15 9.507 1.219 -11.388 1.00 0.00 N ATOM 0 H LYS B 15 11.296 -0.829 -6.049 1.00 0.00 H new ATOM 0 HA LYS B 15 8.972 0.351 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.357 -2.307 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.681 -2.259 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.803 -0.418 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.438 -1.991 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.746 -1.069 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.925 -0.726 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.108 1.450 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.774 1.314 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.628 2.245 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.415 0.742 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.801 0.874 -12.069 1.00 0.00 H new ATOM 964 N GLU B 16 8.597 -1.181 -4.396 1.00 0.00 N ATOM 965 CA GLU B 16 7.646 -1.588 -3.372 1.00 0.00 C ATOM 966 C GLU B 16 6.935 -0.382 -2.772 1.00 0.00 C ATOM 967 O GLU B 16 5.741 -0.444 -2.492 1.00 0.00 O ATOM 968 CB GLU B 16 8.357 -2.378 -2.271 1.00 0.00 C ATOM 969 CG GLU B 16 8.066 -3.869 -2.307 1.00 0.00 C ATOM 970 CD GLU B 16 8.161 -4.448 -3.705 1.00 0.00 C ATOM 971 OE1 GLU B 16 8.653 -3.739 -4.609 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.747 -5.610 -3.897 1.00 0.00 O ATOM 0 H GLU B 16 9.559 -1.094 -4.068 1.00 0.00 H new ATOM 0 HA GLU B 16 6.898 -2.226 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.432 -2.224 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.059 -1.981 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.768 -4.388 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.067 -4.050 -1.910 1.00 0.00 H new ATOM 979 N ILE B 17 7.662 0.718 -2.578 1.00 0.00 N ATOM 980 CA ILE B 17 7.062 1.924 -2.017 1.00 0.00 C ATOM 981 C ILE B 17 6.190 2.618 -3.061 1.00 0.00 C ATOM 982 O ILE B 17 5.155 3.199 -2.735 1.00 0.00 O ATOM 983 CB ILE B 17 8.138 2.902 -1.490 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.501 4.224 -1.044 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.202 3.147 -2.549 1.00 0.00 C ATOM 986 CD1 ILE B 17 8.509 5.298 -0.696 1.00 0.00 C ATOM 0 H ILE B 17 8.655 0.798 -2.798 1.00 0.00 H new ATOM 0 HA ILE B 17 6.441 1.622 -1.174 1.00 0.00 H new ATOM 0 HB ILE B 17 8.617 2.448 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.852 4.591 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.868 4.038 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.950 3.837 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.680 2.203 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.739 3.577 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE B 17 7.985 6.203 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE B 17 9.142 4.952 0.121 1.00 0.00 H new ATOM 0 HD13 ILE B 17 9.127 5.514 -1.568 1.00 0.00 H new ATOM 998 N GLU B 18 6.610 2.538 -4.320 1.00 0.00 N ATOM 999 CA GLU B 18 5.861 3.149 -5.410 1.00 0.00 C ATOM 1000 C GLU B 18 4.638 2.308 -5.760 1.00 0.00 C ATOM 1001 O GLU B 18 3.554 2.840 -5.999 1.00 0.00 O ATOM 1002 CB GLU B 18 6.753 3.314 -6.642 1.00 0.00 C ATOM 1003 CG GLU B 18 7.033 4.764 -7.001 1.00 0.00 C ATOM 1004 CD GLU B 18 8.113 4.906 -8.056 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.742 3.885 -8.402 1.00 0.00 O ATOM 1006 OE2 GLU B 18 8.328 6.039 -8.536 1.00 0.00 O ATOM 0 H GLU B 18 7.462 2.058 -4.609 1.00 0.00 H new ATOM 0 HA GLU B 18 5.524 4.133 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.699 2.803 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.279 2.823 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.115 5.229 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.334 5.305 -6.104 1.00 0.00 H new ATOM 1013 N ARG B 19 4.818 0.990 -5.781 1.00 0.00 N ATOM 1014 CA ARG B 19 3.723 0.081 -6.095 1.00 0.00 C ATOM 1015 C ARG B 19 2.742 0.002 -4.933 1.00 0.00 C ATOM 1016 O ARG B 19 1.564 -0.300 -5.123 1.00 0.00 O ATOM 1017 CB ARG B 19 4.262 -1.312 -6.423 1.00 0.00 C ATOM 1018 CG ARG B 19 4.971 -1.389 -7.766 1.00 0.00 C ATOM 1019 CD ARG B 19 4.027 -1.072 -8.914 1.00 0.00 C ATOM 1020 NE ARG B 19 3.997 0.355 -9.221 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.033 0.937 -9.925 1.00 0.00 C ATOM 1022 NH1 ARG B 19 2.022 0.216 -10.391 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.077 2.241 -10.162 1.00 0.00 N ATOM 0 H ARG B 19 5.707 0.531 -5.585 1.00 0.00 H new ATOM 0 HA ARG B 19 3.198 0.468 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG B 19 4.953 -1.619 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.436 -2.023 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG B 19 5.807 -0.690 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG B 19 5.388 -2.387 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.335 -1.627 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.022 -1.409 -8.660 1.00 0.00 H new ATOM 0 HE ARG B 19 4.759 0.938 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.984 -0.787 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.282 0.664 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.852 2.799 -9.803 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.336 2.686 -10.703 1.00 0.00 H new ATOM 1037 N LEU B 20 3.231 0.285 -3.731 1.00 0.00 N ATOM 1038 CA LEU B 20 2.391 0.257 -2.543 1.00 0.00 C ATOM 1039 C LEU B 20 1.467 1.466 -2.532 1.00 0.00 C ATOM 1040 O LEU B 20 0.295 1.359 -2.173 1.00 0.00 O ATOM 1041 CB LEU B 20 3.245 0.233 -1.274 1.00 0.00 C ATOM 1042 CG LEU B 20 3.507 -1.155 -0.684 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.312 -1.618 0.135 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.821 -2.162 -1.782 1.00 0.00 C ATOM 0 H LEU B 20 4.204 0.536 -3.555 1.00 0.00 H new ATOM 0 HA LEU B 20 1.789 -0.652 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.204 0.703 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.756 0.845 -0.516 1.00 0.00 H new ATOM 0 HG LEU B 20 4.374 -1.087 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.515 -2.606 0.547 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.134 -0.915 0.949 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.430 -1.665 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.003 -3.140 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.977 -2.227 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.708 -1.841 -2.328 1.00 0.00 H new ATOM 1056 N GLN B 21 2.000 2.614 -2.940 1.00 0.00 N ATOM 1057 CA GLN B 21 1.218 3.842 -2.988 1.00 0.00 C ATOM 1058 C GLN B 21 0.065 3.700 -3.977 1.00 0.00 C ATOM 1059 O GLN B 21 -1.088 3.992 -3.653 1.00 0.00 O ATOM 1060 CB GLN B 21 2.105 5.024 -3.384 1.00 0.00 C ATOM 1061 CG GLN B 21 2.929 5.578 -2.233 1.00 0.00 C ATOM 1062 CD GLN B 21 2.967 7.094 -2.221 1.00 0.00 C ATOM 1063 OE1 GLN B 21 3.881 7.709 -2.770 1.00 0.00 O ATOM 1064 NE2 GLN B 21 1.970 7.706 -1.590 1.00 0.00 N ATOM 0 H GLN B 21 2.969 2.718 -3.241 1.00 0.00 H new ATOM 0 HA GLN B 21 0.808 4.028 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.777 4.712 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.478 5.819 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.515 5.221 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.947 5.193 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.233 7.157 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.942 8.725 -1.547 1.00 0.00 H new ATOM 1073 N LYS B 22 0.382 3.239 -5.185 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.631 3.051 -6.215 1.00 0.00 C ATOM 1075 C LYS B 22 -1.640 1.993 -5.782 1.00 0.00 C ATOM 1076 O LYS B 22 -2.808 2.036 -6.169 1.00 0.00 O ATOM 1077 CB LYS B 22 0.022 2.643 -7.537 1.00 0.00 C ATOM 1078 CG LYS B 22 0.064 3.761 -8.565 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.333 4.150 -9.023 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.837 5.380 -8.286 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.489 6.350 -9.209 1.00 0.00 N ATOM 0 H LYS B 22 1.329 2.990 -5.472 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.154 3.996 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.039 2.303 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.522 1.796 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.563 4.631 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.655 3.444 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.325 4.345 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.017 3.318 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.547 5.077 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.004 5.866 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.860 7.165 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.677 5.888 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.386 6.675 -8.794 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.176 1.046 -4.973 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.032 -0.026 -4.480 1.00 0.00 C ATOM 1097 C GLU B 23 -3.066 0.515 -3.498 1.00 0.00 C ATOM 1098 O GLU B 23 -4.207 0.052 -3.468 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.189 -1.111 -3.807 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.232 -2.448 -4.528 1.00 0.00 C ATOM 1101 CD GLU B 23 -0.006 -2.685 -5.388 1.00 0.00 C ATOM 1102 OE1 GLU B 23 0.034 -2.163 -6.522 1.00 0.00 O ATOM 1103 OE2 GLU B 23 0.914 -3.394 -4.928 1.00 0.00 O ATOM 0 H GLU B 23 -0.211 1.000 -4.645 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.557 -0.461 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.155 -0.772 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.538 -1.248 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.318 -3.250 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.124 -2.491 -5.153 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.665 1.501 -2.700 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.571 2.096 -1.725 1.00 0.00 C ATOM 1112 C ILE B 24 -4.697 2.841 -2.442 1.00 0.00 C ATOM 1113 O ILE B 24 -5.861 2.761 -2.050 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.827 3.035 -0.718 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.822 4.501 -1.177 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.399 2.560 -0.492 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.111 5.227 -0.859 1.00 0.00 C ATOM 0 H ILE B 24 -1.727 1.901 -2.709 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.001 1.286 -1.135 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.378 2.985 0.221 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.992 5.022 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.647 4.538 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.901 3.227 0.211 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.412 1.549 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.860 2.563 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.044 6.257 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.942 4.728 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.277 5.219 0.218 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.334 3.558 -3.503 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.305 4.310 -4.285 1.00 0.00 C ATOM 1131 C GLU B 25 -6.375 3.379 -4.842 1.00 0.00 C ATOM 1132 O GLU B 25 -7.566 3.686 -4.799 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.611 5.053 -5.428 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.349 6.303 -5.879 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.450 7.276 -6.616 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.357 7.584 -6.096 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.839 7.730 -7.712 1.00 0.00 O ATOM 0 H GLU B 25 -3.374 3.632 -3.839 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.781 5.040 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.605 5.329 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.505 4.378 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -6.178 6.017 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.780 6.799 -5.010 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.941 2.233 -5.358 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.863 1.251 -5.915 1.00 0.00 C ATOM 1146 C ARG B 26 -7.907 0.855 -4.878 1.00 0.00 C ATOM 1147 O ARG B 26 -9.106 0.845 -5.158 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.100 0.013 -6.390 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.738 -0.671 -7.588 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.875 0.281 -8.765 1.00 0.00 C ATOM 1151 NE ARG B 26 -5.637 1.010 -9.027 1.00 0.00 N ATOM 1152 CZ ARG B 26 -4.576 0.470 -9.618 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -4.604 -0.798 -10.004 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -3.487 1.197 -9.822 1.00 0.00 N ATOM 0 H ARG B 26 -4.958 1.963 -5.402 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.370 1.700 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.080 0.301 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.033 -0.700 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.135 -1.530 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.721 -1.052 -7.310 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.160 -0.281 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.678 0.991 -8.566 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.584 1.988 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -5.440 -1.360 -9.848 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -3.789 -1.211 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -3.462 2.173 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -2.674 0.781 -10.276 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.443 0.536 -3.673 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.337 0.148 -2.591 1.00 0.00 C ATOM 1170 C HIS B 27 -9.263 1.303 -2.222 1.00 0.00 C ATOM 1171 O HIS B 27 -10.359 1.092 -1.706 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.533 -0.290 -1.366 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.538 -1.770 -1.144 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.695 -2.501 -0.963 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.520 -2.660 -1.075 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.387 -3.774 -0.790 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.075 -3.896 -0.856 1.00 0.00 N ATOM 0 H HIS B 27 -6.454 0.539 -3.423 1.00 0.00 H new ATOM 0 HA HIS B 27 -8.943 -0.691 -2.932 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.503 0.049 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -7.937 0.203 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.468 -2.439 -1.174 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.089 -4.577 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.556 -4.769 -0.760 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.810 2.525 -2.494 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.595 3.716 -2.195 1.00 0.00 C ATOM 1188 C LYS B 28 -10.772 3.845 -3.156 1.00 0.00 C ATOM 1189 O LYS B 28 -11.854 4.291 -2.773 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.716 4.964 -2.279 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.444 6.247 -1.909 1.00 0.00 C ATOM 1192 CD LYS B 28 -10.129 6.867 -3.115 1.00 0.00 C ATOM 1193 CE LYS B 28 -9.348 8.058 -3.647 1.00 0.00 C ATOM 1194 NZ LYS B 28 -10.151 9.312 -3.606 1.00 0.00 N ATOM 0 H LYS B 28 -7.903 2.714 -2.921 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.984 3.621 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.858 4.839 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.327 5.056 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.184 6.037 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.736 6.959 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.233 6.118 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.135 7.183 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.440 8.189 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.037 7.859 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.583 10.100 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.005 9.197 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.426 9.516 -2.624 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.553 3.452 -4.407 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.595 3.525 -5.425 1.00 0.00 C ATOM 1210 C GLN B 29 -12.650 2.447 -5.203 1.00 0.00 C ATOM 1211 O GLN B 29 -13.823 2.641 -5.520 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.986 3.377 -6.819 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.609 4.298 -7.855 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.742 5.504 -8.160 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.522 5.464 -7.995 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.368 6.586 -8.606 1.00 0.00 N ATOM 0 H GLN B 29 -9.664 3.080 -4.740 1.00 0.00 H new ATOM 0 HA GLN B 29 -12.076 4.500 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.916 3.578 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -11.099 2.344 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.784 3.739 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.582 4.636 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -12.381 6.575 -8.728 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.836 7.428 -8.827 1.00 0.00 H new ATOM 1225 N SER B 30 -12.227 1.312 -4.658 1.00 0.00 N ATOM 1226 CA SER B 30 -13.140 0.206 -4.396 1.00 0.00 C ATOM 1227 C SER B 30 -14.036 0.515 -3.199 1.00 0.00 C ATOM 1228 O SER B 30 -15.211 0.150 -3.179 1.00 0.00 O ATOM 1229 CB SER B 30 -12.356 -1.083 -4.140 1.00 0.00 C ATOM 1230 OG SER B 30 -13.106 -2.222 -4.521 1.00 0.00 O ATOM 0 H SER B 30 -11.259 1.134 -4.389 1.00 0.00 H new ATOM 0 HA SER B 30 -13.769 0.071 -5.276 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.419 -1.058 -4.696 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.098 -1.151 -3.083 1.00 0.00 H new ATOM 0 HG SER B 30 -12.582 -3.032 -4.349 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.470 1.189 -2.205 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.208 1.552 -1.000 1.00 0.00 C ATOM 1238 C ILE B 31 -15.232 2.646 -1.289 1.00 0.00 C ATOM 1239 O ILE B 31 -16.317 2.663 -0.707 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.245 2.024 0.109 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -14.006 2.493 1.350 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.349 3.138 -0.408 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.750 1.388 2.063 1.00 0.00 C ATOM 0 H ILE B 31 -12.498 1.497 -2.210 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.736 0.662 -0.659 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.627 1.173 0.396 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.302 2.951 2.045 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.716 3.267 1.058 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.675 3.461 0.386 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.766 2.773 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.963 3.980 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.265 1.798 2.932 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.479 0.944 1.385 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -14.043 0.624 2.387 1.00 0.00 H new