USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 402 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 35 LYS NZ :NH3+ -157:sc= -2.67! (180deg=-2.39!) USER MOD Set 1.2: A 39 GLN : amide:sc= -1.24 K(o=-3.9,f=0.3) USER MOD Set 2.1: A 25 TYR OH : rot 165:sc= -0.326 USER MOD Set 2.2: A 29 ASN : amide:sc= -1.87! C(o=-2.2!,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.19) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -3.1! X(o=-3.1!,f=-2.8) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 151:sc= -0.561 (180deg=-1.25) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 97:sc= 0.651 USER MOD Single : A 30 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.2) USER MOD Single : A 31 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.014 (180deg=-0.904) USER MOD Single : A 44 THR OG1 : rot -60:sc= 0.569 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0125 K(o=-0.013,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.9!) USER MOD Single : A 57 ASN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.226 -2.008 -0.501 1.00 0.00 N ATOM 179 CA PHE A 14 -11.521 -2.156 0.767 1.00 0.00 C ATOM 180 C PHE A 14 -12.235 -1.393 1.879 1.00 0.00 C ATOM 181 O PHE A 14 -12.529 -0.205 1.744 1.00 0.00 O ATOM 182 CB PHE A 14 -10.080 -1.656 0.634 1.00 0.00 C ATOM 183 CG PHE A 14 -9.355 -2.228 -0.550 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.244 -3.598 -0.715 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.783 -1.394 -1.498 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.576 -4.128 -1.804 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.116 -1.917 -2.589 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.011 -3.286 -2.741 1.00 0.00 C ATOM 0 HA PHE A 14 -11.509 -3.215 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.087 -0.569 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.531 -1.907 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.684 -4.261 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.860 -0.323 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.497 -5.199 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.677 -1.256 -3.322 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.488 -3.697 -3.592 1.00 0.00 H new ATOM 198 N LYS A 15 -12.512 -2.084 2.979 1.00 0.00 N ATOM 199 CA LYS A 15 -13.191 -1.474 4.117 1.00 0.00 C ATOM 200 C LYS A 15 -12.248 -0.551 4.882 1.00 0.00 C ATOM 201 O LYS A 15 -11.030 -0.736 4.864 1.00 0.00 O ATOM 202 CB LYS A 15 -13.733 -2.556 5.053 1.00 0.00 C ATOM 203 CG LYS A 15 -14.587 -3.597 4.349 1.00 0.00 C ATOM 204 CD LYS A 15 -15.933 -3.026 3.936 1.00 0.00 C ATOM 205 CE LYS A 15 -16.684 -3.979 3.019 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.280 -5.119 3.770 1.00 0.00 N ATOM 0 H LYS A 15 -12.277 -3.068 3.107 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.023 -0.881 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.896 -3.055 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.324 -2.083 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.061 -3.965 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.740 -4.451 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.532 -2.825 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.785 -2.072 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.472 -3.436 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.004 -4.362 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.783 -5.745 3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.526 -5.653 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.948 -4.756 4.479 1.00 0.00 H new ATOM 220 N HIS A 16 -12.818 0.444 5.555 1.00 0.00 N ATOM 221 CA HIS A 16 -12.028 1.395 6.328 1.00 0.00 C ATOM 222 C HIS A 16 -11.334 0.701 7.497 1.00 0.00 C ATOM 223 O HIS A 16 -10.433 1.264 8.119 1.00 0.00 O ATOM 224 CB HIS A 16 -12.917 2.526 6.847 1.00 0.00 C ATOM 225 CG HIS A 16 -13.212 3.575 5.820 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.239 4.147 5.027 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.379 4.154 5.456 1.00 0.00 C ATOM 228 CE1 HIS A 16 -12.795 5.034 4.222 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.094 5.057 4.461 1.00 0.00 N ATOM 0 H HIS A 16 -13.824 0.612 5.580 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.265 1.814 5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.857 2.104 7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.432 2.994 7.704 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.354 3.945 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.276 5.638 3.492 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.774 5.649 3.984 1.00 0.00 H new ATOM 238 N HIS A 17 -11.759 -0.523 7.789 1.00 0.00 N ATOM 239 CA HIS A 17 -11.178 -1.294 8.882 1.00 0.00 C ATOM 240 C HIS A 17 -9.894 -1.986 8.438 1.00 0.00 C ATOM 241 O HIS A 17 -8.804 -1.648 8.898 1.00 0.00 O ATOM 242 CB HIS A 17 -12.179 -2.331 9.392 1.00 0.00 C ATOM 243 CG HIS A 17 -13.422 -1.729 9.974 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.588 -1.505 11.325 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.560 -1.301 9.380 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.776 -0.968 11.536 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.386 -0.834 10.373 1.00 0.00 N ATOM 0 H HIS A 17 -12.504 -1.003 7.284 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.937 -0.604 9.691 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.456 -2.992 8.570 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.696 -2.949 10.149 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.778 -1.323 8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.180 -0.686 12.497 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.319 -0.447 10.234 1.00 0.00 H new ATOM 256 N GLN A 18 -10.031 -2.957 7.539 1.00 0.00 N ATOM 257 CA GLN A 18 -8.880 -3.697 7.033 1.00 0.00 C ATOM 258 C GLN A 18 -7.763 -2.746 6.614 1.00 0.00 C ATOM 259 O GLN A 18 -6.612 -2.908 7.019 1.00 0.00 O ATOM 260 CB GLN A 18 -9.292 -4.573 5.850 1.00 0.00 C ATOM 261 CG GLN A 18 -10.448 -4.004 5.044 1.00 0.00 C ATOM 262 CD GLN A 18 -10.390 -4.401 3.581 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.144 -5.264 3.131 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.494 -3.771 2.831 1.00 0.00 N ATOM 0 H GLN A 18 -10.926 -3.249 7.147 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.507 -4.334 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.433 -4.708 5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.569 -5.560 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.389 -4.348 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.440 -2.917 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.889 -3.062 3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.410 -3.996 1.840 1.00 0.00 H new ATOM 273 N LEU A 19 -8.110 -1.756 5.800 1.00 0.00 N ATOM 274 CA LEU A 19 -7.137 -0.780 5.324 1.00 0.00 C ATOM 275 C LEU A 19 -6.377 -0.156 6.490 1.00 0.00 C ATOM 276 O LEU A 19 -5.148 -0.091 6.479 1.00 0.00 O ATOM 277 CB LEU A 19 -7.836 0.313 4.512 1.00 0.00 C ATOM 278 CG LEU A 19 -7.963 0.056 3.011 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.827 1.124 2.357 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.589 0.007 2.359 1.00 0.00 C ATOM 0 H LEU A 19 -9.059 -1.608 5.456 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.423 -1.298 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.836 0.459 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.294 1.247 4.656 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.446 -0.911 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.906 0.924 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.822 1.111 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.373 2.103 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.700 -0.177 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.079 0.958 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.002 -0.795 2.806 1.00 0.00 H new ATOM 292 N ARG A 20 -7.118 0.300 7.495 1.00 0.00 N ATOM 293 CA ARG A 20 -6.514 0.917 8.670 1.00 0.00 C ATOM 294 C ARG A 20 -5.228 0.197 9.062 1.00 0.00 C ATOM 295 O ARG A 20 -4.200 0.827 9.314 1.00 0.00 O ATOM 296 CB ARG A 20 -7.497 0.904 9.842 1.00 0.00 C ATOM 297 CG ARG A 20 -7.002 1.667 11.060 1.00 0.00 C ATOM 298 CD ARG A 20 -7.158 3.169 10.878 1.00 0.00 C ATOM 299 NE ARG A 20 -6.981 3.893 12.133 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.406 5.137 12.330 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.031 5.789 11.360 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.207 5.729 13.501 1.00 0.00 N ATOM 0 H ARG A 20 -8.137 0.254 7.519 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.270 1.950 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.444 1.333 9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.696 -0.129 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.557 1.347 11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.954 1.428 11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.429 3.524 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.146 3.384 10.471 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.505 3.419 12.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.187 5.336 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.356 6.743 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.728 5.229 14.250 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.533 6.684 13.652 1.00 0.00 H new ATOM 316 N THR A 21 -5.291 -1.131 9.114 1.00 0.00 N ATOM 317 CA THR A 21 -4.133 -1.937 9.478 1.00 0.00 C ATOM 318 C THR A 21 -3.078 -1.914 8.377 1.00 0.00 C ATOM 319 O THR A 21 -1.880 -1.865 8.653 1.00 0.00 O ATOM 320 CB THR A 21 -4.532 -3.398 9.759 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.208 -3.488 11.017 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.308 -4.302 9.769 1.00 0.00 C ATOM 0 H THR A 21 -6.132 -1.670 8.908 1.00 0.00 H new ATOM 0 HA THR A 21 -3.717 -1.500 10.386 1.00 0.00 H new ATOM 0 HB THR A 21 -5.200 -3.728 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.460 -4.420 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.615 -5.328 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.813 -4.254 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.618 -3.972 10.546 1.00 0.00 H new ATOM 330 N MET A 22 -3.532 -1.948 7.128 1.00 0.00 N ATOM 331 CA MET A 22 -2.627 -1.928 5.985 1.00 0.00 C ATOM 332 C MET A 22 -1.948 -0.569 5.852 1.00 0.00 C ATOM 333 O MET A 22 -0.732 -0.453 5.997 1.00 0.00 O ATOM 334 CB MET A 22 -3.387 -2.260 4.700 1.00 0.00 C ATOM 335 CG MET A 22 -4.032 -3.637 4.712 1.00 0.00 C ATOM 336 SD MET A 22 -5.533 -3.709 3.716 1.00 0.00 S ATOM 337 CE MET A 22 -4.845 -3.656 2.063 1.00 0.00 C ATOM 0 H MET A 22 -4.521 -1.990 6.882 1.00 0.00 H new ATOM 0 HA MET A 22 -1.858 -2.683 6.149 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.159 -1.508 4.540 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.701 -2.197 3.855 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.318 -4.372 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.269 -3.914 5.739 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.507 -4.184 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.744 -2.619 1.744 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.865 -4.133 2.061 1.00 0.00 H new ATOM 347 N LYS A 23 -2.744 0.460 5.577 1.00 0.00 N ATOM 348 CA LYS A 23 -2.221 1.813 5.425 1.00 0.00 C ATOM 349 C LYS A 23 -1.227 2.139 6.536 1.00 0.00 C ATOM 350 O LYS A 23 -0.088 2.520 6.270 1.00 0.00 O ATOM 351 CB LYS A 23 -3.366 2.828 5.436 1.00 0.00 C ATOM 352 CG LYS A 23 -4.406 2.582 4.358 1.00 0.00 C ATOM 353 CD LYS A 23 -5.672 3.384 4.611 1.00 0.00 C ATOM 354 CE LYS A 23 -6.461 3.599 3.329 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.290 4.835 3.388 1.00 0.00 N ATOM 0 H LYS A 23 -3.754 0.382 5.455 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.702 1.871 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.853 2.804 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.954 3.829 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.993 2.849 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.648 1.520 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.294 2.864 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.412 4.349 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.773 3.663 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.105 2.738 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.812 4.946 2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.964 4.764 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.673 5.660 3.533 1.00 0.00 H new ATOM 369 N SER A 24 -1.667 1.986 7.781 1.00 0.00 N ATOM 370 CA SER A 24 -0.816 2.268 8.931 1.00 0.00 C ATOM 371 C SER A 24 0.556 1.623 8.764 1.00 0.00 C ATOM 372 O SER A 24 1.567 2.159 9.218 1.00 0.00 O ATOM 373 CB SER A 24 -1.476 1.763 10.216 1.00 0.00 C ATOM 374 OG SER A 24 -2.515 2.633 10.631 1.00 0.00 O ATOM 0 H SER A 24 -2.607 1.669 8.019 1.00 0.00 H new ATOM 0 HA SER A 24 -0.684 3.348 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.878 0.763 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.728 1.682 11.005 1.00 0.00 H new ATOM 0 HG SER A 24 -3.376 2.289 10.314 1.00 0.00 H new ATOM 380 N TYR A 25 0.583 0.468 8.107 1.00 0.00 N ATOM 381 CA TYR A 25 1.830 -0.253 7.881 1.00 0.00 C ATOM 382 C TYR A 25 2.615 0.365 6.729 1.00 0.00 C ATOM 383 O TYR A 25 3.834 0.524 6.807 1.00 0.00 O ATOM 384 CB TYR A 25 1.545 -1.726 7.584 1.00 0.00 C ATOM 385 CG TYR A 25 2.793 -2.566 7.429 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.596 -2.448 6.302 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.169 -3.474 8.411 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.737 -3.215 6.155 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.309 -4.243 8.273 1.00 0.00 C ATOM 390 CZ TYR A 25 5.089 -4.109 7.144 1.00 0.00 C ATOM 391 OH TYR A 25 6.226 -4.872 7.002 1.00 0.00 O ATOM 0 H TYR A 25 -0.244 0.012 7.722 1.00 0.00 H new ATOM 0 HA TYR A 25 2.431 -0.181 8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.937 -2.139 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.955 -1.796 6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.325 -1.746 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.560 -3.581 9.297 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.349 -3.114 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.587 -4.945 9.045 1.00 0.00 H new ATOM 0 HH TYR A 25 6.466 -5.266 7.867 1.00 0.00 H new ATOM 401 N PHE A 26 1.908 0.715 5.659 1.00 0.00 N ATOM 402 CA PHE A 26 2.537 1.318 4.490 1.00 0.00 C ATOM 403 C PHE A 26 3.537 2.393 4.904 1.00 0.00 C ATOM 404 O PHE A 26 4.522 2.642 4.208 1.00 0.00 O ATOM 405 CB PHE A 26 1.476 1.919 3.566 1.00 0.00 C ATOM 406 CG PHE A 26 2.052 2.698 2.419 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.480 2.053 1.270 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.168 4.078 2.490 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.010 2.768 0.212 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.698 4.798 1.437 1.00 0.00 C ATOM 411 CZ PHE A 26 3.120 4.142 0.296 1.00 0.00 C ATOM 0 H PHE A 26 0.899 0.591 5.578 1.00 0.00 H new ATOM 0 HA PHE A 26 3.074 0.536 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.852 1.117 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.826 2.572 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.399 0.978 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.840 4.596 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.338 2.253 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.783 5.873 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.535 4.703 -0.528 1.00 0.00 H new ATOM 421 N ALA A 27 3.276 3.030 6.041 1.00 0.00 N ATOM 422 CA ALA A 27 4.152 4.078 6.549 1.00 0.00 C ATOM 423 C ALA A 27 5.324 3.487 7.323 1.00 0.00 C ATOM 424 O ALA A 27 6.411 4.064 7.359 1.00 0.00 O ATOM 425 CB ALA A 27 3.368 5.041 7.427 1.00 0.00 C ATOM 0 H ALA A 27 2.464 2.838 6.628 1.00 0.00 H new ATOM 0 HA ALA A 27 4.554 4.626 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.035 5.819 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.569 5.497 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.938 4.498 8.269 1.00 0.00 H new ATOM 431 N ILE A 28 5.096 2.333 7.941 1.00 0.00 N ATOM 432 CA ILE A 28 6.135 1.663 8.715 1.00 0.00 C ATOM 433 C ILE A 28 7.160 1.001 7.802 1.00 0.00 C ATOM 434 O ILE A 28 8.365 1.192 7.962 1.00 0.00 O ATOM 435 CB ILE A 28 5.538 0.599 9.655 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.473 1.225 10.558 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.635 -0.045 10.491 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.631 0.206 11.295 1.00 0.00 C ATOM 0 H ILE A 28 4.202 1.842 7.921 1.00 0.00 H new ATOM 0 HA ILE A 28 6.627 2.430 9.313 1.00 0.00 H new ATOM 0 HB ILE A 28 5.066 -0.175 9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.961 1.875 11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.820 1.855 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.197 -0.795 11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.362 -0.521 9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.132 0.719 11.089 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.898 0.721 11.916 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.115 -0.429 10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.273 -0.408 11.926 1.00 0.00 H new ATOM 450 N ASN A 29 6.673 0.222 6.841 1.00 0.00 N ATOM 451 CA ASN A 29 7.548 -0.469 5.900 1.00 0.00 C ATOM 452 C ASN A 29 6.915 -0.528 4.513 1.00 0.00 C ATOM 453 O ASN A 29 5.916 -1.217 4.303 1.00 0.00 O ATOM 454 CB ASN A 29 7.849 -1.885 6.397 1.00 0.00 C ATOM 455 CG ASN A 29 9.002 -2.525 5.649 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.844 -1.835 5.074 1.00 0.00 O ATOM 457 ND2 ASN A 29 9.046 -3.852 5.655 1.00 0.00 N ATOM 0 H ASN A 29 5.678 0.054 6.693 1.00 0.00 H new ATOM 0 HA ASN A 29 8.481 0.090 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.083 -1.852 7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.959 -2.504 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.799 -4.339 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.327 -4.384 6.145 1.00 0.00 H new ATOM 464 N HIS A 30 7.504 0.199 3.568 1.00 0.00 N ATOM 465 CA HIS A 30 6.998 0.229 2.201 1.00 0.00 C ATOM 466 C HIS A 30 7.112 -1.146 1.549 1.00 0.00 C ATOM 467 O HIS A 30 6.163 -1.638 0.942 1.00 0.00 O ATOM 468 CB HIS A 30 7.763 1.262 1.375 1.00 0.00 C ATOM 469 CG HIS A 30 8.171 2.473 2.157 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.455 2.976 2.153 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.455 3.283 2.972 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.511 4.041 2.931 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.310 4.249 3.440 1.00 0.00 N ATOM 0 H HIS A 30 8.331 0.775 3.724 1.00 0.00 H new ATOM 0 HA HIS A 30 5.945 0.509 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.654 0.793 0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.143 1.574 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.406 3.187 3.210 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.389 4.640 3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.059 5.005 4.077 1.00 0.00 H new ATOM 482 N ASN A 31 8.283 -1.761 1.679 1.00 0.00 N ATOM 483 CA ASN A 31 8.523 -3.079 1.102 1.00 0.00 C ATOM 484 C ASN A 31 8.574 -4.148 2.190 1.00 0.00 C ATOM 485 O ASN A 31 9.643 -4.554 2.648 1.00 0.00 O ATOM 486 CB ASN A 31 9.831 -3.082 0.307 1.00 0.00 C ATOM 487 CG ASN A 31 9.946 -1.887 -0.620 1.00 0.00 C ATOM 488 OD1 ASN A 31 10.911 -1.126 -0.552 1.00 0.00 O ATOM 489 ND2 ASN A 31 8.958 -1.717 -1.491 1.00 0.00 N ATOM 0 H ASN A 31 9.081 -1.368 2.179 1.00 0.00 H new ATOM 0 HA ASN A 31 7.697 -3.309 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.674 -3.084 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.896 -4.000 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.980 -0.930 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.178 -2.373 -1.511 1.00 0.00 H new ATOM 496 N PRO A 32 7.391 -4.617 2.614 1.00 0.00 N ATOM 497 CA PRO A 32 7.274 -5.646 3.652 1.00 0.00 C ATOM 498 C PRO A 32 7.754 -7.012 3.171 1.00 0.00 C ATOM 499 O PRO A 32 7.957 -7.224 1.975 1.00 0.00 O ATOM 500 CB PRO A 32 5.773 -5.682 3.948 1.00 0.00 C ATOM 501 CG PRO A 32 5.128 -5.188 2.698 1.00 0.00 C ATOM 502 CD PRO A 32 6.077 -4.181 2.113 1.00 0.00 C ATOM 0 HA PRO A 32 7.889 -5.418 4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.442 -6.691 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.522 -5.050 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.950 -6.007 2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.160 -4.734 2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.042 -4.182 1.024 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.839 -3.168 2.439 1.00 0.00 H new ATOM 510 N ASP A 33 7.932 -7.935 4.110 1.00 0.00 N ATOM 511 CA ASP A 33 8.387 -9.281 3.781 1.00 0.00 C ATOM 512 C ASP A 33 7.206 -10.239 3.658 1.00 0.00 C ATOM 513 O ASP A 33 6.072 -9.884 3.977 1.00 0.00 O ATOM 514 CB ASP A 33 9.361 -9.787 4.846 1.00 0.00 C ATOM 515 CG ASP A 33 10.624 -8.951 4.921 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.616 -7.931 5.642 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.617 -9.316 4.259 1.00 0.00 O ATOM 0 H ASP A 33 7.768 -7.776 5.104 1.00 0.00 H new ATOM 0 HA ASP A 33 8.900 -9.240 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.867 -9.781 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.626 -10.822 4.629 1.00 0.00 H new ATOM 522 N ALA A 34 7.482 -11.452 3.191 1.00 0.00 N ATOM 523 CA ALA A 34 6.442 -12.461 3.025 1.00 0.00 C ATOM 524 C ALA A 34 5.737 -12.744 4.348 1.00 0.00 C ATOM 525 O ALA A 34 4.518 -12.913 4.390 1.00 0.00 O ATOM 526 CB ALA A 34 7.035 -13.741 2.456 1.00 0.00 C ATOM 0 H ALA A 34 8.416 -11.760 2.921 1.00 0.00 H new ATOM 0 HA ALA A 34 5.702 -12.074 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.248 -14.485 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.487 -13.533 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.796 -14.123 3.136 1.00 0.00 H new ATOM 532 N LYS A 35 6.512 -12.796 5.426 1.00 0.00 N ATOM 533 CA LYS A 35 5.962 -13.059 6.751 1.00 0.00 C ATOM 534 C LYS A 35 4.902 -12.023 7.116 1.00 0.00 C ATOM 535 O LYS A 35 3.815 -12.371 7.578 1.00 0.00 O ATOM 536 CB LYS A 35 7.078 -13.053 7.798 1.00 0.00 C ATOM 537 CG LYS A 35 6.784 -13.929 9.005 1.00 0.00 C ATOM 538 CD LYS A 35 5.951 -13.192 10.040 1.00 0.00 C ATOM 539 CE LYS A 35 5.353 -14.151 11.058 1.00 0.00 C ATOM 540 NZ LYS A 35 4.148 -14.846 10.525 1.00 0.00 N ATOM 0 H LYS A 35 7.523 -12.660 5.408 1.00 0.00 H new ATOM 0 HA LYS A 35 5.492 -14.043 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.004 -13.390 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.244 -12.029 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.256 -14.827 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.721 -14.255 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.572 -12.457 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.152 -12.643 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.101 -14.890 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.086 -13.602 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.556 -15.170 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.603 -14.189 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.443 -15.664 9.955 1.00 0.00 H new ATOM 554 N ASP A 36 5.225 -10.753 6.903 1.00 0.00 N ATOM 555 CA ASP A 36 4.300 -9.668 7.207 1.00 0.00 C ATOM 556 C ASP A 36 3.072 -9.733 6.304 1.00 0.00 C ATOM 557 O ASP A 36 1.957 -9.429 6.732 1.00 0.00 O ATOM 558 CB ASP A 36 4.996 -8.316 7.045 1.00 0.00 C ATOM 559 CG ASP A 36 4.425 -7.257 7.968 1.00 0.00 C ATOM 560 OD1 ASP A 36 3.464 -6.572 7.563 1.00 0.00 O ATOM 561 OD2 ASP A 36 4.942 -7.113 9.097 1.00 0.00 O ATOM 0 H ASP A 36 6.121 -10.449 6.521 1.00 0.00 H new ATOM 0 HA ASP A 36 3.975 -9.779 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.061 -8.433 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.901 -7.983 6.012 1.00 0.00 H new ATOM 566 N LEU A 37 3.283 -10.127 5.054 1.00 0.00 N ATOM 567 CA LEU A 37 2.193 -10.231 4.090 1.00 0.00 C ATOM 568 C LEU A 37 1.126 -11.206 4.577 1.00 0.00 C ATOM 569 O LEU A 37 -0.058 -10.872 4.632 1.00 0.00 O ATOM 570 CB LEU A 37 2.730 -10.683 2.730 1.00 0.00 C ATOM 571 CG LEU A 37 3.197 -9.571 1.790 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.863 -10.160 0.557 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.028 -8.681 1.394 1.00 0.00 C ATOM 0 H LEU A 37 4.199 -10.380 4.683 1.00 0.00 H new ATOM 0 HA LEU A 37 1.738 -9.246 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.565 -11.363 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.951 -11.254 2.226 1.00 0.00 H new ATOM 0 HG LEU A 37 3.930 -8.960 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.189 -9.354 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.726 -10.754 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.152 -10.795 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.379 -7.895 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.271 -9.279 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.595 -8.230 2.287 1.00 0.00 H new ATOM 585 N LYS A 38 1.552 -12.413 4.931 1.00 0.00 N ATOM 586 CA LYS A 38 0.635 -13.437 5.418 1.00 0.00 C ATOM 587 C LYS A 38 -0.009 -13.010 6.733 1.00 0.00 C ATOM 588 O LYS A 38 -1.158 -13.355 7.012 1.00 0.00 O ATOM 589 CB LYS A 38 1.373 -14.764 5.606 1.00 0.00 C ATOM 590 CG LYS A 38 2.493 -14.697 6.631 1.00 0.00 C ATOM 591 CD LYS A 38 2.981 -16.084 7.015 1.00 0.00 C ATOM 592 CE LYS A 38 2.116 -16.698 8.104 1.00 0.00 C ATOM 593 NZ LYS A 38 2.789 -17.852 8.763 1.00 0.00 N ATOM 0 H LYS A 38 2.528 -12.707 4.890 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.151 -13.568 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.658 -15.528 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.787 -15.079 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.323 -14.117 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.142 -14.174 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.974 -16.729 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.014 -16.025 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.880 -15.940 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.170 -17.027 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.167 -18.243 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.991 -18.587 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.680 -17.534 9.196 1.00 0.00 H new ATOM 607 N GLN A 39 0.736 -12.257 7.534 1.00 0.00 N ATOM 608 CA GLN A 39 0.236 -11.782 8.820 1.00 0.00 C ATOM 609 C GLN A 39 -0.888 -10.770 8.626 1.00 0.00 C ATOM 610 O GLN A 39 -1.861 -10.756 9.380 1.00 0.00 O ATOM 611 CB GLN A 39 1.370 -11.155 9.631 1.00 0.00 C ATOM 612 CG GLN A 39 2.243 -12.173 10.346 1.00 0.00 C ATOM 613 CD GLN A 39 1.483 -12.960 11.396 1.00 0.00 C ATOM 614 OE1 GLN A 39 1.014 -12.400 12.388 1.00 0.00 O ATOM 615 NE2 GLN A 39 1.357 -14.263 11.182 1.00 0.00 N ATOM 0 H GLN A 39 1.688 -11.962 7.316 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.161 -12.637 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.994 -10.558 8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.945 -10.473 10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.663 -12.863 9.614 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.081 -11.660 10.818 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.762 -14.684 10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.855 -14.844 11.854 1.00 0.00 H new ATOM 624 N LEU A 40 -0.748 -9.924 7.611 1.00 0.00 N ATOM 625 CA LEU A 40 -1.751 -8.907 7.318 1.00 0.00 C ATOM 626 C LEU A 40 -3.015 -9.540 6.745 1.00 0.00 C ATOM 627 O LEU A 40 -4.127 -9.218 7.163 1.00 0.00 O ATOM 628 CB LEU A 40 -1.191 -7.877 6.335 1.00 0.00 C ATOM 629 CG LEU A 40 -0.281 -6.805 6.933 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.548 -6.140 5.845 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.101 -5.770 7.689 1.00 0.00 C ATOM 0 H LEU A 40 0.051 -9.923 6.977 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.008 -8.406 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.635 -8.407 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.028 -7.382 5.843 1.00 0.00 H new ATOM 0 HG LEU A 40 0.399 -7.285 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.190 -5.380 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.164 -6.889 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.115 -5.674 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.436 -5.015 8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.806 -5.295 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.649 -6.258 8.495 1.00 0.00 H new ATOM 643 N ALA A 41 -2.837 -10.442 5.785 1.00 0.00 N ATOM 644 CA ALA A 41 -3.962 -11.122 5.157 1.00 0.00 C ATOM 645 C ALA A 41 -4.972 -11.590 6.200 1.00 0.00 C ATOM 646 O ALA A 41 -6.149 -11.778 5.896 1.00 0.00 O ATOM 647 CB ALA A 41 -3.472 -12.301 4.329 1.00 0.00 C ATOM 0 H ALA A 41 -1.923 -10.718 5.425 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.461 -10.412 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.324 -12.799 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.794 -11.944 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.946 -13.005 4.974 1.00 0.00 H new ATOM 653 N GLN A 42 -4.503 -11.776 7.430 1.00 0.00 N ATOM 654 CA GLN A 42 -5.367 -12.223 8.517 1.00 0.00 C ATOM 655 C GLN A 42 -5.956 -11.033 9.268 1.00 0.00 C ATOM 656 O GLN A 42 -7.172 -10.930 9.432 1.00 0.00 O ATOM 657 CB GLN A 42 -4.585 -13.114 9.483 1.00 0.00 C ATOM 658 CG GLN A 42 -4.264 -14.489 8.919 1.00 0.00 C ATOM 659 CD GLN A 42 -5.437 -15.446 9.012 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.847 -15.838 10.105 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.982 -15.828 7.864 1.00 0.00 N ATOM 0 H GLN A 42 -3.531 -11.624 7.699 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.186 -12.798 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.654 -12.615 9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.160 -13.232 10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.964 -14.389 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.414 -14.909 9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.610 -15.478 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.773 -16.472 7.864 1.00 0.00 H new ATOM 670 N LYS A 43 -5.087 -10.138 9.722 1.00 0.00 N ATOM 671 CA LYS A 43 -5.520 -8.954 10.456 1.00 0.00 C ATOM 672 C LYS A 43 -6.571 -8.179 9.667 1.00 0.00 C ATOM 673 O LYS A 43 -7.376 -7.443 10.239 1.00 0.00 O ATOM 674 CB LYS A 43 -4.324 -8.048 10.758 1.00 0.00 C ATOM 675 CG LYS A 43 -3.540 -8.468 11.988 1.00 0.00 C ATOM 676 CD LYS A 43 -2.410 -7.496 12.288 1.00 0.00 C ATOM 677 CE LYS A 43 -1.145 -7.860 11.527 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.435 -9.013 12.147 1.00 0.00 N ATOM 0 H LYS A 43 -4.077 -10.209 9.595 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.964 -9.283 11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.657 -8.042 9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.678 -7.026 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.210 -8.524 12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.131 -9.467 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.718 -6.485 12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.204 -7.495 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.399 -8.103 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.479 -6.998 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.571 -8.982 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.526 -8.961 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.854 -9.902 11.807 1.00 0.00 H new ATOM 692 N THR A 44 -6.560 -8.351 8.348 1.00 0.00 N ATOM 693 CA THR A 44 -7.511 -7.668 7.480 1.00 0.00 C ATOM 694 C THR A 44 -8.506 -8.651 6.875 1.00 0.00 C ATOM 695 O THR A 44 -9.708 -8.390 6.839 1.00 0.00 O ATOM 696 CB THR A 44 -6.795 -6.914 6.344 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.117 -7.843 5.491 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.797 -5.912 6.904 1.00 0.00 C ATOM 0 H THR A 44 -5.903 -8.958 7.858 1.00 0.00 H new ATOM 0 HA THR A 44 -8.046 -6.949 8.101 1.00 0.00 H new ATOM 0 HB THR A 44 -7.545 -6.372 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.450 -8.338 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.304 -5.392 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.320 -5.189 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.051 -6.436 7.501 1.00 0.00 H new ATOM 706 N GLY A 45 -7.997 -9.784 6.400 1.00 0.00 N ATOM 707 CA GLY A 45 -8.856 -10.790 5.802 1.00 0.00 C ATOM 708 C GLY A 45 -8.557 -11.008 4.331 1.00 0.00 C ATOM 709 O GLY A 45 -8.918 -12.040 3.764 1.00 0.00 O ATOM 0 H GLY A 45 -7.006 -10.023 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.735 -11.732 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.897 -10.489 5.917 1.00 0.00 H new ATOM 713 N LEU A 46 -7.896 -10.036 3.713 1.00 0.00 N ATOM 714 CA LEU A 46 -7.550 -10.125 2.299 1.00 0.00 C ATOM 715 C LEU A 46 -6.512 -11.217 2.061 1.00 0.00 C ATOM 716 O LEU A 46 -5.976 -11.798 3.006 1.00 0.00 O ATOM 717 CB LEU A 46 -7.017 -8.782 1.797 1.00 0.00 C ATOM 718 CG LEU A 46 -7.848 -7.551 2.164 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.030 -6.283 1.987 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.115 -7.494 1.323 1.00 0.00 C ATOM 0 H LEU A 46 -7.589 -9.177 4.169 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.454 -10.380 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.009 -8.645 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.934 -8.829 0.711 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.135 -7.629 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.638 -5.418 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.153 -6.323 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.712 -6.197 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.694 -6.612 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.849 -7.440 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.711 -8.389 1.501 1.00 0.00 H new ATOM 732 N THR A 47 -6.228 -11.491 0.791 1.00 0.00 N ATOM 733 CA THR A 47 -5.253 -12.512 0.428 1.00 0.00 C ATOM 734 C THR A 47 -3.903 -11.888 0.093 1.00 0.00 C ATOM 735 O THR A 47 -3.806 -10.685 -0.144 1.00 0.00 O ATOM 736 CB THR A 47 -5.734 -13.346 -0.774 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.003 -14.575 -0.842 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.559 -12.573 -2.073 1.00 0.00 C ATOM 0 H THR A 47 -6.660 -11.019 -0.004 1.00 0.00 H new ATOM 0 HA THR A 47 -5.143 -13.166 1.293 1.00 0.00 H new ATOM 0 HB THR A 47 -6.794 -13.562 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.316 -15.100 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.905 -13.182 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.140 -11.652 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.506 -12.331 -2.213 1.00 0.00 H new ATOM 746 N LYS A 48 -2.863 -12.715 0.074 1.00 0.00 N ATOM 747 CA LYS A 48 -1.517 -12.246 -0.235 1.00 0.00 C ATOM 748 C LYS A 48 -1.518 -11.379 -1.490 1.00 0.00 C ATOM 749 O LYS A 48 -0.944 -10.290 -1.503 1.00 0.00 O ATOM 750 CB LYS A 48 -0.572 -13.434 -0.423 1.00 0.00 C ATOM 751 CG LYS A 48 0.889 -13.093 -0.187 1.00 0.00 C ATOM 752 CD LYS A 48 1.680 -14.308 0.265 1.00 0.00 C ATOM 753 CE LYS A 48 3.142 -14.204 -0.141 1.00 0.00 C ATOM 754 NZ LYS A 48 3.892 -15.456 0.158 1.00 0.00 N ATOM 0 H LYS A 48 -2.927 -13.714 0.269 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.168 -11.641 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.865 -14.232 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.687 -13.822 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.323 -12.696 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.963 -12.309 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.608 -14.408 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.244 -15.209 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.208 -13.987 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.606 -13.369 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.884 -15.344 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.851 -15.650 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.465 -16.249 -0.362 1.00 0.00 H new ATOM 768 N ARG A 49 -2.167 -11.868 -2.541 1.00 0.00 N ATOM 769 CA ARG A 49 -2.243 -11.138 -3.801 1.00 0.00 C ATOM 770 C ARG A 49 -2.736 -9.712 -3.573 1.00 0.00 C ATOM 771 O ARG A 49 -2.045 -8.745 -3.894 1.00 0.00 O ATOM 772 CB ARG A 49 -3.170 -11.861 -4.780 1.00 0.00 C ATOM 773 CG ARG A 49 -3.541 -11.026 -5.995 1.00 0.00 C ATOM 774 CD ARG A 49 -3.891 -11.903 -7.186 1.00 0.00 C ATOM 775 NE ARG A 49 -5.314 -12.230 -7.226 1.00 0.00 N ATOM 776 CZ ARG A 49 -5.854 -13.244 -6.558 1.00 0.00 C ATOM 777 NH1 ARG A 49 -5.094 -14.024 -5.803 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.157 -13.477 -6.646 1.00 0.00 N ATOM 0 H ARG A 49 -2.648 -12.767 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.241 -11.094 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.687 -12.779 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.081 -12.152 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.388 -10.385 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.710 -10.371 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.610 -11.392 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.309 -12.823 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.927 -11.648 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.092 -13.847 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.511 -14.802 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.744 -12.878 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.572 -14.255 -6.133 1.00 0.00 H new ATOM 792 N VAL A 50 -3.938 -9.589 -3.017 1.00 0.00 N ATOM 793 CA VAL A 50 -4.524 -8.283 -2.746 1.00 0.00 C ATOM 794 C VAL A 50 -3.524 -7.363 -2.054 1.00 0.00 C ATOM 795 O VAL A 50 -3.211 -6.281 -2.552 1.00 0.00 O ATOM 796 CB VAL A 50 -5.785 -8.403 -1.870 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.182 -7.045 -1.314 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.928 -9.020 -2.663 1.00 0.00 C ATOM 0 H VAL A 50 -4.524 -10.379 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.800 -7.855 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.560 -9.060 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.075 -7.151 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.368 -6.648 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.388 -6.361 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.811 -9.097 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.154 -8.392 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.639 -10.014 -3.005 1.00 0.00 H new ATOM 808 N LEU A 51 -3.025 -7.802 -0.904 1.00 0.00 N ATOM 809 CA LEU A 51 -2.058 -7.019 -0.142 1.00 0.00 C ATOM 810 C LEU A 51 -0.906 -6.562 -1.031 1.00 0.00 C ATOM 811 O LEU A 51 -0.550 -5.384 -1.045 1.00 0.00 O ATOM 812 CB LEU A 51 -1.518 -7.841 1.030 1.00 0.00 C ATOM 813 CG LEU A 51 -2.537 -8.233 2.101 1.00 0.00 C ATOM 814 CD1 LEU A 51 -1.945 -9.264 3.048 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.002 -7.004 2.869 1.00 0.00 C ATOM 0 H LEU A 51 -3.274 -8.695 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.566 -6.136 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.070 -8.752 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.719 -7.274 1.508 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.402 -8.677 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.684 -9.531 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.662 -10.154 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.063 -8.847 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.727 -7.301 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.146 -6.531 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.466 -6.299 2.180 1.00 0.00 H new ATOM 827 N GLN A 52 -0.328 -7.502 -1.773 1.00 0.00 N ATOM 828 CA GLN A 52 0.783 -7.194 -2.666 1.00 0.00 C ATOM 829 C GLN A 52 0.394 -6.108 -3.664 1.00 0.00 C ATOM 830 O GLN A 52 1.130 -5.142 -3.863 1.00 0.00 O ATOM 831 CB GLN A 52 1.228 -8.453 -3.411 1.00 0.00 C ATOM 832 CG GLN A 52 2.234 -9.293 -2.639 1.00 0.00 C ATOM 833 CD GLN A 52 3.661 -8.820 -2.834 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.912 -7.630 -3.024 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.605 -9.752 -2.787 1.00 0.00 N ATOM 0 H GLN A 52 -0.611 -8.482 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 52 1.612 -6.826 -2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.352 -9.063 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.666 -8.164 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.987 -9.264 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.153 -10.333 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.352 -10.727 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.584 -9.493 -2.911 1.00 0.00 H new ATOM 844 N VAL A 53 -0.767 -6.276 -4.291 1.00 0.00 N ATOM 845 CA VAL A 53 -1.253 -5.310 -5.268 1.00 0.00 C ATOM 846 C VAL A 53 -1.455 -3.939 -4.633 1.00 0.00 C ATOM 847 O VAL A 53 -0.812 -2.963 -5.019 1.00 0.00 O ATOM 848 CB VAL A 53 -2.580 -5.770 -5.900 1.00 0.00 C ATOM 849 CG1 VAL A 53 -3.023 -4.796 -6.981 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.441 -7.177 -6.463 1.00 0.00 C ATOM 0 H VAL A 53 -1.387 -7.071 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.493 -5.239 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.346 -5.787 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.962 -5.138 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.164 -3.807 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.261 -4.744 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.388 -7.487 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.662 -7.188 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.173 -7.865 -5.661 1.00 0.00 H new ATOM 860 N TRP A 54 -2.352 -3.872 -3.655 1.00 0.00 N ATOM 861 CA TRP A 54 -2.638 -2.620 -2.965 1.00 0.00 C ATOM 862 C TRP A 54 -1.352 -1.857 -2.666 1.00 0.00 C ATOM 863 O TRP A 54 -1.136 -0.760 -3.181 1.00 0.00 O ATOM 864 CB TRP A 54 -3.399 -2.893 -1.666 1.00 0.00 C ATOM 865 CG TRP A 54 -3.907 -1.648 -1.003 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.121 -1.054 -1.198 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.216 -0.845 -0.041 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.225 0.071 -0.415 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.070 0.220 0.305 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.958 -0.923 0.563 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.705 1.197 1.227 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.597 0.048 1.478 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.468 1.097 1.803 1.00 0.00 C ATOM 0 H TRP A 54 -2.893 -4.670 -3.323 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.258 -2.006 -3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.241 -3.553 -1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.745 -3.423 -0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.887 -1.415 -1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.032 0.694 -0.377 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.280 -1.728 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.375 2.006 1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.627 -0.002 1.951 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.157 1.841 2.522 1.00 0.00 H new ATOM 884 N PHE A 55 -0.502 -2.443 -1.829 1.00 0.00 N ATOM 885 CA PHE A 55 0.762 -1.817 -1.462 1.00 0.00 C ATOM 886 C PHE A 55 1.508 -1.327 -2.699 1.00 0.00 C ATOM 887 O PHE A 55 1.872 -0.155 -2.792 1.00 0.00 O ATOM 888 CB PHE A 55 1.636 -2.803 -0.684 1.00 0.00 C ATOM 889 CG PHE A 55 1.389 -2.787 0.798 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.321 -3.481 1.343 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.224 -2.074 1.644 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.090 -3.467 2.706 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.998 -2.058 3.008 1.00 0.00 C ATOM 894 CZ PHE A 55 0.929 -2.753 3.539 1.00 0.00 C ATOM 0 H PHE A 55 -0.666 -3.350 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 55 0.542 -0.957 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.459 -3.810 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.685 -2.572 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.339 -4.039 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.059 -1.526 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.745 -4.013 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.657 -1.502 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.749 -2.738 4.604 1.00 0.00 H new ATOM 904 N GLN A 56 1.728 -2.232 -3.647 1.00 0.00 N ATOM 905 CA GLN A 56 2.431 -1.891 -4.878 1.00 0.00 C ATOM 906 C GLN A 56 1.767 -0.708 -5.575 1.00 0.00 C ATOM 907 O GLN A 56 2.438 0.116 -6.195 1.00 0.00 O ATOM 908 CB GLN A 56 2.467 -3.096 -5.820 1.00 0.00 C ATOM 909 CG GLN A 56 3.660 -4.010 -5.591 1.00 0.00 C ATOM 910 CD GLN A 56 4.982 -3.335 -5.900 1.00 0.00 C ATOM 911 OE1 GLN A 56 5.042 -2.119 -6.083 1.00 0.00 O ATOM 912 NE2 GLN A 56 6.049 -4.121 -5.959 1.00 0.00 N ATOM 0 H GLN A 56 1.430 -3.206 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 56 3.451 -1.610 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.550 -3.671 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.484 -2.741 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.662 -4.345 -4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.556 -4.899 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.953 -5.124 -5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.965 -3.722 -6.163 1.00 0.00 H new ATOM 921 N ASN A 57 0.444 -0.629 -5.466 1.00 0.00 N ATOM 922 CA ASN A 57 -0.312 0.453 -6.086 1.00 0.00 C ATOM 923 C ASN A 57 -0.114 1.760 -5.324 1.00 0.00 C ATOM 924 O ASN A 57 -0.198 2.845 -5.899 1.00 0.00 O ATOM 925 CB ASN A 57 -1.799 0.100 -6.138 1.00 0.00 C ATOM 926 CG ASN A 57 -2.165 -0.683 -7.384 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.908 -0.200 -8.238 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.642 -1.899 -7.493 1.00 0.00 N ATOM 0 H ASN A 57 -0.126 -1.302 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 57 0.058 0.586 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.062 -0.483 -5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.388 1.016 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.852 -2.473 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.031 -2.259 -6.760 1.00 0.00 H new ATOM 935 N ALA A 58 0.151 1.648 -4.026 1.00 0.00 N ATOM 936 CA ALA A 58 0.363 2.820 -3.187 1.00 0.00 C ATOM 937 C ALA A 58 1.597 3.598 -3.632 1.00 0.00 C ATOM 938 O ALA A 58 1.513 4.785 -3.948 1.00 0.00 O ATOM 939 CB ALA A 58 0.496 2.407 -1.728 1.00 0.00 C ATOM 0 H ALA A 58 0.224 0.758 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.504 3.473 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.654 3.292 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.415 1.901 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.344 1.732 -1.617 1.00 0.00 H new ATOM 945 N ARG A 59 2.741 2.923 -3.653 1.00 0.00 N ATOM 946 CA ARG A 59 3.993 3.552 -4.058 1.00 0.00 C ATOM 947 C ARG A 59 3.811 4.343 -5.350 1.00 0.00 C ATOM 948 O ARG A 59 4.407 5.404 -5.529 1.00 0.00 O ATOM 949 CB ARG A 59 5.082 2.495 -4.243 1.00 0.00 C ATOM 950 CG ARG A 59 5.806 2.133 -2.955 1.00 0.00 C ATOM 951 CD ARG A 59 7.126 1.433 -3.236 1.00 0.00 C ATOM 952 NE ARG A 59 8.050 2.286 -3.978 1.00 0.00 N ATOM 953 CZ ARG A 59 9.242 1.881 -4.405 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.650 0.643 -4.165 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.027 2.716 -5.074 1.00 0.00 N ATOM 0 H ARG A 59 2.827 1.940 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 59 4.296 4.242 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.635 1.594 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.809 2.858 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.989 3.036 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.172 1.486 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.586 1.134 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.939 0.521 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 59 7.765 3.245 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.049 -0.002 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.565 0.335 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.716 3.669 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.941 2.405 -5.401 1.00 0.00 H new