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 25 TYR OH : rot 165:sc= -0.709 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.986 K(o=-1.7,f=-2.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.38) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.99! K(o=-3!,f=-2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -136:sc= -0.0253 (180deg=-0.384) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0341) USER MOD Single : A 24 SER OG : rot 96:sc= 1.14 USER MOD Single : A 30 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-0.04) USER MOD Single : A 31 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.756 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= -1.38! (180deg=-3.65!) USER MOD Single : A 52 GLN : amide:sc= -2.68! C(o=-2.7!,f=-5.3!) USER MOD Single : A 56 GLN : amide:sc= -0.027 K(o=-0.027,f=-0.88) USER MOD Single : A 57 ASN : amide:sc= 0.0711 X(o=0.071,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.219 -1.993 -0.673 1.00 0.00 N ATOM 179 CA PHE A 14 -11.622 -2.154 0.648 1.00 0.00 C ATOM 180 C PHE A 14 -12.426 -1.403 1.703 1.00 0.00 C ATOM 181 O PHE A 14 -12.905 -0.294 1.463 1.00 0.00 O ATOM 182 CB PHE A 14 -10.175 -1.655 0.641 1.00 0.00 C ATOM 183 CG PHE A 14 -9.375 -2.150 -0.529 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.563 -1.609 -1.792 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.435 -3.155 -0.368 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.827 -2.063 -2.871 1.00 0.00 C ATOM 187 CE2 PHE A 14 -7.697 -3.613 -1.444 1.00 0.00 C ATOM 188 CZ PHE A 14 -7.893 -3.066 -2.696 1.00 0.00 C ATOM 0 HA PHE A 14 -11.632 -3.215 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.175 -0.565 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.687 -1.969 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.292 -0.825 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.277 -3.586 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.982 -1.634 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.968 -4.398 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.317 -3.421 -3.538 1.00 0.00 H new ATOM 198 N LYS A 15 -12.573 -2.014 2.874 1.00 0.00 N ATOM 199 CA LYS A 15 -13.318 -1.405 3.968 1.00 0.00 C ATOM 200 C LYS A 15 -12.461 -0.384 4.710 1.00 0.00 C ATOM 201 O LYS A 15 -11.253 -0.295 4.486 1.00 0.00 O ATOM 202 CB LYS A 15 -13.805 -2.481 4.942 1.00 0.00 C ATOM 203 CG LYS A 15 -14.551 -3.619 4.268 1.00 0.00 C ATOM 204 CD LYS A 15 -15.953 -3.202 3.856 1.00 0.00 C ATOM 205 CE LYS A 15 -16.779 -4.395 3.401 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.105 -3.979 2.865 1.00 0.00 N ATOM 0 H LYS A 15 -12.185 -2.932 3.089 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.180 -0.890 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.948 -2.887 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.457 -2.019 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.996 -3.949 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.609 -4.470 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.449 -2.713 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.894 -2.471 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.233 -4.943 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.924 -5.077 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.638 -4.820 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.637 -3.478 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.967 -3.348 2.050 1.00 0.00 H new ATOM 220 N HIS A 16 -13.092 0.382 5.592 1.00 0.00 N ATOM 221 CA HIS A 16 -12.385 1.396 6.368 1.00 0.00 C ATOM 222 C HIS A 16 -11.685 0.769 7.570 1.00 0.00 C ATOM 223 O HIS A 16 -10.883 1.419 8.243 1.00 0.00 O ATOM 224 CB HIS A 16 -13.357 2.479 6.837 1.00 0.00 C ATOM 225 CG HIS A 16 -12.753 3.448 7.806 1.00 0.00 C ATOM 226 ND1 HIS A 16 -13.306 3.723 9.039 1.00 0.00 N ATOM 227 CD2 HIS A 16 -11.635 4.205 7.720 1.00 0.00 C ATOM 228 CE1 HIS A 16 -12.556 4.610 9.668 1.00 0.00 C ATOM 229 NE2 HIS A 16 -11.534 4.919 8.889 1.00 0.00 N ATOM 0 H HIS A 16 -14.091 0.321 5.788 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.630 1.850 5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.724 3.027 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.221 2.004 7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.949 4.241 6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.746 5.014 10.651 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.792 5.580 9.118 1.00 0.00 H new ATOM 238 N HIS A 17 -11.993 -0.496 7.835 1.00 0.00 N ATOM 239 CA HIS A 17 -11.393 -1.210 8.956 1.00 0.00 C ATOM 240 C HIS A 17 -10.099 -1.898 8.532 1.00 0.00 C ATOM 241 O HIS A 17 -9.015 -1.535 8.989 1.00 0.00 O ATOM 242 CB HIS A 17 -12.374 -2.243 9.514 1.00 0.00 C ATOM 243 CG HIS A 17 -13.594 -1.635 10.134 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.680 -1.321 11.473 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.783 -1.285 9.589 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.870 -0.804 11.727 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.557 -0.771 10.599 1.00 0.00 N ATOM 0 H HIS A 17 -12.655 -1.048 7.289 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.160 -0.484 9.734 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.680 -2.913 8.710 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.863 -2.852 10.259 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.069 -1.391 8.553 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.220 -0.467 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.509 -0.420 10.495 1.00 0.00 H new ATOM 256 N GLN A 18 -10.221 -2.891 7.658 1.00 0.00 N ATOM 257 CA GLN A 18 -9.060 -3.629 7.175 1.00 0.00 C ATOM 258 C GLN A 18 -7.947 -2.677 6.752 1.00 0.00 C ATOM 259 O GLN A 18 -6.798 -2.822 7.171 1.00 0.00 O ATOM 260 CB GLN A 18 -9.453 -4.528 6.001 1.00 0.00 C ATOM 261 CG GLN A 18 -10.605 -3.979 5.174 1.00 0.00 C ATOM 262 CD GLN A 18 -10.531 -4.397 3.720 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.271 -5.275 3.275 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.635 -3.768 2.968 1.00 0.00 N ATOM 0 H GLN A 18 -11.111 -3.203 7.270 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.691 -4.250 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.586 -4.667 5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.727 -5.511 6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.548 -4.322 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.605 -2.891 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.042 -3.046 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.540 -4.007 1.981 1.00 0.00 H new ATOM 273 N LEU A 19 -8.293 -1.702 5.919 1.00 0.00 N ATOM 274 CA LEU A 19 -7.323 -0.724 5.438 1.00 0.00 C ATOM 275 C LEU A 19 -6.576 -0.080 6.602 1.00 0.00 C ATOM 276 O LEU A 19 -5.346 -0.047 6.620 1.00 0.00 O ATOM 277 CB LEU A 19 -8.023 0.352 4.608 1.00 0.00 C ATOM 278 CG LEU A 19 -8.137 0.075 3.109 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.675 1.297 2.379 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.789 -0.338 2.538 1.00 0.00 C ATOM 0 H LEU A 19 -9.239 -1.567 5.562 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.600 -1.245 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.027 0.495 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.489 1.292 4.744 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.838 -0.747 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.749 1.081 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.662 1.548 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.000 2.139 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.890 -0.531 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.066 0.463 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.443 -1.242 3.039 1.00 0.00 H new ATOM 292 N ARG A 20 -7.329 0.428 7.572 1.00 0.00 N ATOM 293 CA ARG A 20 -6.739 1.070 8.740 1.00 0.00 C ATOM 294 C ARG A 20 -5.443 0.375 9.146 1.00 0.00 C ATOM 295 O ARG A 20 -4.436 1.026 9.426 1.00 0.00 O ATOM 296 CB ARG A 20 -7.725 1.056 9.909 1.00 0.00 C ATOM 297 CG ARG A 20 -7.402 2.075 10.990 1.00 0.00 C ATOM 298 CD ARG A 20 -7.781 3.484 10.558 1.00 0.00 C ATOM 299 NE ARG A 20 -6.997 4.499 11.257 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.232 5.803 11.162 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.223 6.248 10.402 1.00 0.00 N ATOM 302 NH2 ARG A 20 -6.474 6.665 11.828 1.00 0.00 N ATOM 0 H ARG A 20 -8.349 0.407 7.572 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.511 2.103 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.729 1.247 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.736 0.060 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.935 1.818 11.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.337 2.038 11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.631 3.586 9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.841 3.649 10.749 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.227 4.190 11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.807 5.589 9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.401 7.250 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.710 6.326 12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.655 7.666 11.755 1.00 0.00 H new ATOM 316 N THR A 21 -5.474 -0.955 9.176 1.00 0.00 N ATOM 317 CA THR A 21 -4.304 -1.739 9.549 1.00 0.00 C ATOM 318 C THR A 21 -3.242 -1.696 8.455 1.00 0.00 C ATOM 319 O THR A 21 -2.048 -1.606 8.741 1.00 0.00 O ATOM 320 CB THR A 21 -4.678 -3.207 9.828 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.353 -3.309 11.086 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.438 -4.088 9.840 1.00 0.00 C ATOM 0 H THR A 21 -6.298 -1.511 8.946 1.00 0.00 H new ATOM 0 HA THR A 21 -3.902 -1.294 10.460 1.00 0.00 H new ATOM 0 HB THR A 21 -5.340 -3.548 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.589 -4.245 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.727 -5.120 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.941 -4.030 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.756 -3.746 10.618 1.00 0.00 H new ATOM 330 N MET A 22 -3.685 -1.760 7.204 1.00 0.00 N ATOM 331 CA MET A 22 -2.772 -1.726 6.068 1.00 0.00 C ATOM 332 C MET A 22 -2.120 -0.353 5.936 1.00 0.00 C ATOM 333 O MET A 22 -0.904 -0.215 6.078 1.00 0.00 O ATOM 334 CB MET A 22 -3.515 -2.077 4.778 1.00 0.00 C ATOM 335 CG MET A 22 -4.075 -3.490 4.764 1.00 0.00 C ATOM 336 SD MET A 22 -5.558 -3.640 3.751 1.00 0.00 S ATOM 337 CE MET A 22 -4.860 -3.500 2.106 1.00 0.00 C ATOM 0 H MET A 22 -4.670 -1.836 6.951 1.00 0.00 H new ATOM 0 HA MET A 22 -1.990 -2.465 6.240 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.332 -1.370 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.837 -1.955 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.314 -4.175 4.390 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.305 -3.796 5.785 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.480 -2.837 1.503 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.851 -3.092 2.172 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.823 -4.485 1.641 1.00 0.00 H new ATOM 347 N LYS A 23 -2.934 0.660 5.662 1.00 0.00 N ATOM 348 CA LYS A 23 -2.438 2.022 5.510 1.00 0.00 C ATOM 349 C LYS A 23 -1.452 2.368 6.622 1.00 0.00 C ATOM 350 O LYS A 23 -0.384 2.924 6.367 1.00 0.00 O ATOM 351 CB LYS A 23 -3.602 3.015 5.519 1.00 0.00 C ATOM 352 CG LYS A 23 -4.447 2.972 4.258 1.00 0.00 C ATOM 353 CD LYS A 23 -5.311 4.216 4.123 1.00 0.00 C ATOM 354 CE LYS A 23 -5.581 4.551 2.664 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.391 5.158 2.005 1.00 0.00 N ATOM 0 H LYS A 23 -3.942 0.563 5.540 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.919 2.089 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.238 2.809 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.208 4.023 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.798 2.882 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.082 2.087 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.256 4.062 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.816 5.059 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.869 3.645 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.423 5.240 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.662 5.526 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.029 5.936 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.651 4.436 1.892 1.00 0.00 H new ATOM 369 N SER A 24 -1.818 2.036 7.856 1.00 0.00 N ATOM 370 CA SER A 24 -0.966 2.314 9.007 1.00 0.00 C ATOM 371 C SER A 24 0.398 1.649 8.847 1.00 0.00 C ATOM 372 O SER A 24 1.409 2.157 9.330 1.00 0.00 O ATOM 373 CB SER A 24 -1.636 1.825 10.293 1.00 0.00 C ATOM 374 OG SER A 24 -2.703 2.678 10.667 1.00 0.00 O ATOM 0 H SER A 24 -2.698 1.574 8.085 1.00 0.00 H new ATOM 0 HA SER A 24 -0.820 3.392 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.010 0.811 10.149 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.901 1.783 11.097 1.00 0.00 H new ATOM 0 HG SER A 24 -3.547 2.314 10.328 1.00 0.00 H new ATOM 380 N TYR A 25 0.418 0.510 8.164 1.00 0.00 N ATOM 381 CA TYR A 25 1.657 -0.226 7.941 1.00 0.00 C ATOM 382 C TYR A 25 2.481 0.418 6.830 1.00 0.00 C ATOM 383 O TYR A 25 3.705 0.513 6.925 1.00 0.00 O ATOM 384 CB TYR A 25 1.352 -1.683 7.586 1.00 0.00 C ATOM 385 CG TYR A 25 2.588 -2.539 7.424 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.328 -2.510 6.248 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.017 -3.373 8.449 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.457 -3.291 6.097 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.147 -4.155 8.307 1.00 0.00 C ATOM 390 CZ TYR A 25 4.863 -4.112 7.129 1.00 0.00 C ATOM 391 OH TYR A 25 5.989 -4.890 6.983 1.00 0.00 O ATOM 0 H TYR A 25 -0.410 0.076 7.755 1.00 0.00 H new ATOM 0 HA TYR A 25 2.238 -0.197 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.722 -2.113 8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.778 -1.710 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.015 -1.866 5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.458 -3.411 9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.019 -3.259 5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.468 -4.797 9.114 1.00 0.00 H new ATOM 0 HH TYR A 25 6.275 -5.220 7.861 1.00 0.00 H new ATOM 401 N PHE A 26 1.801 0.860 5.778 1.00 0.00 N ATOM 402 CA PHE A 26 2.468 1.496 4.648 1.00 0.00 C ATOM 403 C PHE A 26 3.499 2.513 5.128 1.00 0.00 C ATOM 404 O PHE A 26 4.506 2.753 4.462 1.00 0.00 O ATOM 405 CB PHE A 26 1.442 2.181 3.742 1.00 0.00 C ATOM 406 CG PHE A 26 2.061 3.089 2.718 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.033 2.619 1.851 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.669 4.416 2.624 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.602 3.452 0.907 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.235 5.253 1.682 1.00 0.00 C ATOM 411 CZ PHE A 26 3.204 4.772 0.824 1.00 0.00 C ATOM 0 H PHE A 26 0.788 0.790 5.684 1.00 0.00 H new ATOM 0 HA PHE A 26 2.984 0.722 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.853 1.419 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.752 2.758 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.350 1.589 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.914 4.799 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.357 3.072 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.920 6.284 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.650 5.426 0.090 1.00 0.00 H new ATOM 421 N ALA A 27 3.240 3.107 6.288 1.00 0.00 N ATOM 422 CA ALA A 27 4.146 4.097 6.858 1.00 0.00 C ATOM 423 C ALA A 27 5.357 3.428 7.499 1.00 0.00 C ATOM 424 O ALA A 27 6.474 3.940 7.422 1.00 0.00 O ATOM 425 CB ALA A 27 3.413 4.957 7.877 1.00 0.00 C ATOM 0 H ALA A 27 2.411 2.920 6.851 1.00 0.00 H new ATOM 0 HA ALA A 27 4.503 4.736 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.101 5.692 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.584 5.471 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.028 4.325 8.677 1.00 0.00 H new ATOM 431 N ILE A 28 5.127 2.284 8.134 1.00 0.00 N ATOM 432 CA ILE A 28 6.200 1.545 8.789 1.00 0.00 C ATOM 433 C ILE A 28 7.123 0.893 7.765 1.00 0.00 C ATOM 434 O ILE A 28 8.342 1.056 7.821 1.00 0.00 O ATOM 435 CB ILE A 28 5.644 0.458 9.728 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.616 1.060 10.688 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.775 -0.203 10.500 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.741 0.026 11.361 1.00 0.00 C ATOM 0 H ILE A 28 4.208 1.848 8.209 1.00 0.00 H new ATOM 0 HA ILE A 28 6.766 2.267 9.378 1.00 0.00 H new ATOM 0 HB ILE A 28 5.148 -0.303 9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.138 1.636 11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.984 1.758 10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.367 -0.969 11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.474 -0.662 9.800 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.297 0.547 11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.036 0.524 12.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.192 -0.534 10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.364 -0.658 11.937 1.00 0.00 H new ATOM 450 N ASN A 29 6.534 0.158 6.828 1.00 0.00 N ATOM 451 CA ASN A 29 7.303 -0.518 5.790 1.00 0.00 C ATOM 452 C ASN A 29 6.561 -0.488 4.457 1.00 0.00 C ATOM 453 O ASN A 29 5.345 -0.674 4.406 1.00 0.00 O ATOM 454 CB ASN A 29 7.587 -1.965 6.196 1.00 0.00 C ATOM 455 CG ASN A 29 8.684 -2.597 5.361 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.513 -1.899 4.776 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.693 -3.923 5.301 1.00 0.00 N ATOM 0 H ASN A 29 5.526 0.015 6.766 1.00 0.00 H new ATOM 0 HA ASN A 29 8.249 0.011 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.872 -1.995 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.675 -2.553 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.407 -4.404 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.986 -4.461 5.802 1.00 0.00 H new ATOM 464 N HIS A 30 7.303 -0.255 3.378 1.00 0.00 N ATOM 465 CA HIS A 30 6.715 -0.202 2.045 1.00 0.00 C ATOM 466 C HIS A 30 6.715 -1.584 1.397 1.00 0.00 C ATOM 467 O HIS A 30 5.692 -2.041 0.890 1.00 0.00 O ATOM 468 CB HIS A 30 7.484 0.786 1.165 1.00 0.00 C ATOM 469 CG HIS A 30 7.946 2.007 1.899 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.101 2.688 1.576 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.400 2.670 2.945 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.246 3.715 2.392 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.227 3.728 3.233 1.00 0.00 N ATOM 0 H HIS A 30 8.311 -0.100 3.401 1.00 0.00 H new ATOM 0 HA HIS A 30 5.683 0.135 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.349 0.281 0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.848 1.091 0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.484 2.415 3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.060 4.425 2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.079 4.412 3.975 1.00 0.00 H new ATOM 482 N ASN A 31 7.869 -2.241 1.416 1.00 0.00 N ATOM 483 CA ASN A 31 8.002 -3.570 0.829 1.00 0.00 C ATOM 484 C ASN A 31 8.123 -4.635 1.914 1.00 0.00 C ATOM 485 O ASN A 31 9.216 -5.096 2.247 1.00 0.00 O ATOM 486 CB ASN A 31 9.222 -3.624 -0.093 1.00 0.00 C ATOM 487 CG ASN A 31 9.350 -2.383 -0.956 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.351 -1.791 -1.365 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.585 -1.982 -1.236 1.00 0.00 N ATOM 0 H ASN A 31 8.726 -1.876 1.831 1.00 0.00 H new ATOM 0 HA ASN A 31 7.104 -3.773 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.124 -3.740 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.151 -4.503 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.734 -1.153 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.384 -2.503 -0.876 1.00 0.00 H new ATOM 496 N PRO A 32 6.976 -5.036 2.481 1.00 0.00 N ATOM 497 CA PRO A 32 6.928 -6.051 3.537 1.00 0.00 C ATOM 498 C PRO A 32 7.272 -7.443 3.019 1.00 0.00 C ATOM 499 O PRO A 32 6.858 -7.829 1.925 1.00 0.00 O ATOM 500 CB PRO A 32 5.473 -6.002 4.011 1.00 0.00 C ATOM 501 CG PRO A 32 4.712 -5.480 2.841 1.00 0.00 C ATOM 502 CD PRO A 32 5.638 -4.529 2.135 1.00 0.00 C ATOM 0 HA PRO A 32 7.654 -5.853 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.119 -6.990 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.361 -5.352 4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.408 -6.291 2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.802 -4.973 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.473 -4.533 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.497 -3.503 2.475 1.00 0.00 H new ATOM 510 N ASP A 33 8.031 -8.193 3.810 1.00 0.00 N ATOM 511 CA ASP A 33 8.430 -9.544 3.431 1.00 0.00 C ATOM 512 C ASP A 33 7.241 -10.498 3.490 1.00 0.00 C ATOM 513 O ASP A 33 6.173 -10.145 3.989 1.00 0.00 O ATOM 514 CB ASP A 33 9.547 -10.045 4.349 1.00 0.00 C ATOM 515 CG ASP A 33 9.013 -10.754 5.577 1.00 0.00 C ATOM 516 OD1 ASP A 33 8.319 -10.101 6.385 1.00 0.00 O ATOM 517 OD2 ASP A 33 9.287 -11.963 5.730 1.00 0.00 O ATOM 0 H ASP A 33 8.383 -7.889 4.718 1.00 0.00 H new ATOM 0 HA ASP A 33 8.799 -9.514 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.193 -10.725 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.164 -9.202 4.660 1.00 0.00 H new ATOM 522 N ALA A 34 7.434 -11.708 2.974 1.00 0.00 N ATOM 523 CA ALA A 34 6.378 -12.713 2.968 1.00 0.00 C ATOM 524 C ALA A 34 5.693 -12.798 4.328 1.00 0.00 C ATOM 525 O ALA A 34 4.468 -12.724 4.423 1.00 0.00 O ATOM 526 CB ALA A 34 6.943 -14.070 2.574 1.00 0.00 C ATOM 0 H ALA A 34 8.312 -12.016 2.555 1.00 0.00 H new ATOM 0 HA ALA A 34 5.631 -12.415 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.143 -14.811 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.380 -14.007 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.711 -14.366 3.289 1.00 0.00 H new ATOM 532 N LYS A 35 6.491 -12.953 5.379 1.00 0.00 N ATOM 533 CA LYS A 35 5.963 -13.047 6.734 1.00 0.00 C ATOM 534 C LYS A 35 4.973 -11.922 7.012 1.00 0.00 C ATOM 535 O LYS A 35 3.821 -12.170 7.368 1.00 0.00 O ATOM 536 CB LYS A 35 7.105 -13.000 7.752 1.00 0.00 C ATOM 537 CG LYS A 35 6.634 -12.821 9.185 1.00 0.00 C ATOM 538 CD LYS A 35 5.747 -13.972 9.630 1.00 0.00 C ATOM 539 CE LYS A 35 6.569 -15.136 10.159 1.00 0.00 C ATOM 540 NZ LYS A 35 6.934 -14.953 11.591 1.00 0.00 N ATOM 0 H LYS A 35 7.507 -13.016 5.318 1.00 0.00 H new ATOM 0 HA LYS A 35 5.439 -13.998 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.683 -13.922 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.777 -12.182 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.498 -12.750 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.086 -11.883 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.062 -13.627 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.137 -14.308 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.004 -16.061 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.476 -15.240 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.494 -15.768 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.495 -14.084 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.069 -14.879 12.163 1.00 0.00 H new ATOM 554 N ASP A 36 5.428 -10.685 6.845 1.00 0.00 N ATOM 555 CA ASP A 36 4.581 -9.520 7.075 1.00 0.00 C ATOM 556 C ASP A 36 3.312 -9.596 6.231 1.00 0.00 C ATOM 557 O ASP A 36 2.215 -9.315 6.715 1.00 0.00 O ATOM 558 CB ASP A 36 5.345 -8.235 6.754 1.00 0.00 C ATOM 559 CG ASP A 36 6.473 -7.972 7.733 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.322 -8.330 8.921 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.504 -7.409 7.312 1.00 0.00 O ATOM 0 H ASP A 36 6.379 -10.463 6.551 1.00 0.00 H new ATOM 0 HA ASP A 36 4.297 -9.511 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.752 -8.300 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.654 -7.392 6.766 1.00 0.00 H new ATOM 566 N LEU A 37 3.469 -9.978 4.969 1.00 0.00 N ATOM 567 CA LEU A 37 2.336 -10.090 4.057 1.00 0.00 C ATOM 568 C LEU A 37 1.270 -11.022 4.625 1.00 0.00 C ATOM 569 O LEU A 37 0.121 -10.624 4.816 1.00 0.00 O ATOM 570 CB LEU A 37 2.803 -10.602 2.693 1.00 0.00 C ATOM 571 CG LEU A 37 3.240 -9.535 1.689 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.863 -10.181 0.461 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.060 -8.660 1.293 1.00 0.00 C ATOM 0 H LEU A 37 4.370 -10.216 4.554 1.00 0.00 H new ATOM 0 HA LEU A 37 1.899 -9.099 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.636 -11.287 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.994 -11.181 2.248 1.00 0.00 H new ATOM 0 HG LEU A 37 3.992 -8.904 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.168 -9.406 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.734 -10.764 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.134 -10.836 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.390 -7.906 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.286 -9.278 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.658 -8.168 2.179 1.00 0.00 H new ATOM 585 N LYS A 38 1.659 -12.263 4.896 1.00 0.00 N ATOM 586 CA LYS A 38 0.739 -13.250 5.446 1.00 0.00 C ATOM 587 C LYS A 38 0.151 -12.770 6.768 1.00 0.00 C ATOM 588 O LYS A 38 -1.001 -13.062 7.087 1.00 0.00 O ATOM 589 CB LYS A 38 1.456 -14.588 5.651 1.00 0.00 C ATOM 590 CG LYS A 38 2.580 -14.525 6.671 1.00 0.00 C ATOM 591 CD LYS A 38 3.017 -15.914 7.104 1.00 0.00 C ATOM 592 CE LYS A 38 2.094 -16.482 8.171 1.00 0.00 C ATOM 593 NZ LYS A 38 2.172 -17.968 8.237 1.00 0.00 N ATOM 0 H LYS A 38 2.606 -12.609 4.743 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.075 -13.386 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.729 -15.335 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.861 -14.924 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.430 -13.991 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.251 -13.958 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.028 -16.579 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.036 -15.873 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.358 -16.061 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.068 -16.181 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.529 -18.317 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.896 -18.371 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.146 -18.255 8.462 1.00 0.00 H new ATOM 607 N GLN A 39 0.949 -12.030 7.532 1.00 0.00 N ATOM 608 CA GLN A 39 0.505 -11.508 8.819 1.00 0.00 C ATOM 609 C GLN A 39 -0.627 -10.503 8.638 1.00 0.00 C ATOM 610 O GLN A 39 -1.473 -10.340 9.519 1.00 0.00 O ATOM 611 CB GLN A 39 1.674 -10.852 9.557 1.00 0.00 C ATOM 612 CG GLN A 39 2.605 -11.847 10.229 1.00 0.00 C ATOM 613 CD GLN A 39 3.274 -11.279 11.464 1.00 0.00 C ATOM 614 OE1 GLN A 39 4.244 -10.527 11.370 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.758 -11.637 12.634 1.00 0.00 N ATOM 0 H GLN A 39 1.905 -11.779 7.282 1.00 0.00 H new ATOM 0 HA GLN A 39 0.132 -12.343 9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.247 -10.251 8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.280 -10.170 10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.041 -12.738 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.370 -12.160 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.953 -12.263 12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.167 -11.286 13.500 1.00 0.00 H new ATOM 624 N LEU A 40 -0.636 -9.831 7.492 1.00 0.00 N ATOM 625 CA LEU A 40 -1.666 -8.840 7.195 1.00 0.00 C ATOM 626 C LEU A 40 -2.923 -9.509 6.650 1.00 0.00 C ATOM 627 O LEU A 40 -4.041 -9.113 6.979 1.00 0.00 O ATOM 628 CB LEU A 40 -1.140 -7.817 6.187 1.00 0.00 C ATOM 629 CG LEU A 40 -0.224 -6.729 6.751 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.536 -6.039 5.630 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.029 -5.718 7.554 1.00 0.00 C ATOM 0 H LEU A 40 0.057 -9.954 6.754 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.923 -8.328 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.599 -8.351 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.993 -7.335 5.710 1.00 0.00 H new ATOM 0 HG LEU A 40 0.499 -7.198 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.183 -5.268 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.143 -6.771 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.172 -5.582 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.361 -4.952 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.775 -5.253 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.528 -6.224 8.381 1.00 0.00 H new ATOM 643 N ALA A 41 -2.733 -10.524 5.814 1.00 0.00 N ATOM 644 CA ALA A 41 -3.852 -11.250 5.226 1.00 0.00 C ATOM 645 C ALA A 41 -4.881 -11.625 6.286 1.00 0.00 C ATOM 646 O ALA A 41 -6.074 -11.719 6.001 1.00 0.00 O ATOM 647 CB ALA A 41 -3.354 -12.495 4.508 1.00 0.00 C ATOM 0 H ALA A 41 -1.814 -10.862 5.528 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.337 -10.595 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.200 -13.028 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.662 -12.206 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.842 -13.145 5.218 1.00 0.00 H new ATOM 653 N GLN A 42 -4.411 -11.839 7.511 1.00 0.00 N ATOM 654 CA GLN A 42 -5.292 -12.206 8.614 1.00 0.00 C ATOM 655 C GLN A 42 -5.871 -10.963 9.284 1.00 0.00 C ATOM 656 O GLN A 42 -7.084 -10.843 9.449 1.00 0.00 O ATOM 657 CB GLN A 42 -4.534 -13.048 9.641 1.00 0.00 C ATOM 658 CG GLN A 42 -4.200 -14.449 9.153 1.00 0.00 C ATOM 659 CD GLN A 42 -4.003 -15.431 10.290 1.00 0.00 C ATOM 660 OE1 GLN A 42 -2.921 -15.516 10.872 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.050 -16.182 10.613 1.00 0.00 N ATOM 0 H GLN A 42 -3.426 -11.765 7.765 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.115 -12.795 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.610 -12.535 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.131 -13.122 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.001 -14.805 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.294 -14.413 8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.928 -16.079 10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.976 -16.862 11.370 1.00 0.00 H new ATOM 670 N LYS A 43 -4.994 -10.043 9.669 1.00 0.00 N ATOM 671 CA LYS A 43 -5.416 -8.809 10.322 1.00 0.00 C ATOM 672 C LYS A 43 -6.515 -8.118 9.521 1.00 0.00 C ATOM 673 O LYS A 43 -7.494 -7.627 10.084 1.00 0.00 O ATOM 674 CB LYS A 43 -4.224 -7.864 10.493 1.00 0.00 C ATOM 675 CG LYS A 43 -3.382 -8.163 11.720 1.00 0.00 C ATOM 676 CD LYS A 43 -2.280 -7.133 11.904 1.00 0.00 C ATOM 677 CE LYS A 43 -1.030 -7.506 11.120 1.00 0.00 C ATOM 678 NZ LYS A 43 0.162 -6.742 11.581 1.00 0.00 N ATOM 0 H LYS A 43 -3.986 -10.128 9.540 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.813 -9.065 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.593 -7.925 9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.590 -6.839 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.019 -8.178 12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.942 -9.156 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.636 -6.156 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.034 -7.047 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.840 -8.574 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.196 -7.315 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.993 -7.025 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.009 -5.724 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.336 -6.943 12.586 1.00 0.00 H new ATOM 692 N THR A 44 -6.349 -8.086 8.202 1.00 0.00 N ATOM 693 CA THR A 44 -7.326 -7.457 7.324 1.00 0.00 C ATOM 694 C THR A 44 -8.323 -8.479 6.789 1.00 0.00 C ATOM 695 O THR A 44 -9.522 -8.212 6.716 1.00 0.00 O ATOM 696 CB THR A 44 -6.643 -6.753 6.136 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.937 -7.710 5.340 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.680 -5.681 6.624 1.00 0.00 C ATOM 0 H THR A 44 -5.546 -8.489 7.719 1.00 0.00 H new ATOM 0 HA THR A 44 -7.856 -6.715 7.921 1.00 0.00 H new ATOM 0 HB THR A 44 -7.415 -6.277 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.215 -8.108 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.210 -5.198 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.227 -4.938 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.913 -6.138 7.249 1.00 0.00 H new ATOM 706 N GLY A 45 -7.819 -9.651 6.416 1.00 0.00 N ATOM 707 CA GLY A 45 -8.680 -10.697 5.893 1.00 0.00 C ATOM 708 C GLY A 45 -8.415 -10.986 4.428 1.00 0.00 C ATOM 709 O GLY A 45 -8.751 -12.061 3.930 1.00 0.00 O ATOM 0 H GLY A 45 -6.830 -9.895 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.533 -11.608 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.722 -10.403 6.020 1.00 0.00 H new ATOM 713 N LEU A 46 -7.814 -10.026 3.736 1.00 0.00 N ATOM 714 CA LEU A 46 -7.505 -10.181 2.319 1.00 0.00 C ATOM 715 C LEU A 46 -6.499 -11.306 2.101 1.00 0.00 C ATOM 716 O LEU A 46 -6.107 -11.995 3.043 1.00 0.00 O ATOM 717 CB LEU A 46 -6.957 -8.872 1.748 1.00 0.00 C ATOM 718 CG LEU A 46 -7.800 -7.623 2.005 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.978 -6.366 1.765 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.041 -7.627 1.125 1.00 0.00 C ATOM 0 H LEU A 46 -7.530 -9.130 4.133 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.427 -10.438 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.963 -8.706 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.838 -8.990 0.671 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.118 -7.631 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.594 -5.487 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.120 -6.358 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.629 -6.351 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.629 -6.731 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.743 -7.643 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.641 -8.510 1.346 1.00 0.00 H new ATOM 732 N THR A 47 -6.080 -11.485 0.851 1.00 0.00 N ATOM 733 CA THR A 47 -5.118 -12.526 0.510 1.00 0.00 C ATOM 734 C THR A 47 -3.776 -11.922 0.110 1.00 0.00 C ATOM 735 O THR A 47 -3.683 -10.732 -0.192 1.00 0.00 O ATOM 736 CB THR A 47 -5.632 -13.411 -0.640 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.950 -14.671 -0.631 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.428 -12.727 -1.983 1.00 0.00 C ATOM 0 H THR A 47 -6.392 -10.923 0.059 1.00 0.00 H new ATOM 0 HA THR A 47 -4.987 -13.141 1.401 1.00 0.00 H new ATOM 0 HB THR A 47 -6.700 -13.575 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.284 -15.229 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.799 -13.372 -2.780 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.973 -11.783 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.366 -12.535 -2.136 1.00 0.00 H new ATOM 746 N LYS A 48 -2.737 -12.751 0.110 1.00 0.00 N ATOM 747 CA LYS A 48 -1.399 -12.300 -0.254 1.00 0.00 C ATOM 748 C LYS A 48 -1.442 -11.418 -1.498 1.00 0.00 C ATOM 749 O LYS A 48 -0.888 -10.319 -1.509 1.00 0.00 O ATOM 750 CB LYS A 48 -0.483 -13.502 -0.500 1.00 0.00 C ATOM 751 CG LYS A 48 0.994 -13.183 -0.347 1.00 0.00 C ATOM 752 CD LYS A 48 1.433 -13.260 1.105 1.00 0.00 C ATOM 753 CE LYS A 48 1.418 -14.693 1.616 1.00 0.00 C ATOM 754 NZ LYS A 48 0.101 -15.056 2.208 1.00 0.00 N ATOM 0 H LYS A 48 -2.796 -13.739 0.358 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.003 -11.712 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.748 -14.298 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.661 -13.884 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.582 -13.881 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.194 -12.185 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.437 -12.847 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.773 -12.647 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.648 -15.374 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.200 -14.820 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.235 -15.354 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.532 -14.231 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.321 -15.836 1.665 1.00 0.00 H new ATOM 768 N ARG A 49 -2.104 -11.907 -2.541 1.00 0.00 N ATOM 769 CA ARG A 49 -2.218 -11.162 -3.791 1.00 0.00 C ATOM 770 C ARG A 49 -2.718 -9.743 -3.533 1.00 0.00 C ATOM 771 O ARG A 49 -1.996 -8.770 -3.751 1.00 0.00 O ATOM 772 CB ARG A 49 -3.166 -11.881 -4.752 1.00 0.00 C ATOM 773 CG ARG A 49 -3.441 -11.105 -6.030 1.00 0.00 C ATOM 774 CD ARG A 49 -2.362 -11.350 -7.073 1.00 0.00 C ATOM 775 NE ARG A 49 -2.678 -10.712 -8.348 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.541 -11.211 -9.225 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.172 -12.349 -8.967 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.777 -10.572 -10.364 1.00 0.00 N ATOM 0 H ARG A 49 -2.569 -12.815 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.228 -11.104 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.741 -12.851 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.110 -12.072 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.411 -11.397 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.497 -10.040 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.409 -10.971 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.241 -12.423 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.210 -9.835 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.995 -12.843 -8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.834 -12.729 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.295 -9.696 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.440 -10.957 -11.037 1.00 0.00 H new ATOM 792 N VAL A 50 -3.958 -9.633 -3.068 1.00 0.00 N ATOM 793 CA VAL A 50 -4.555 -8.334 -2.780 1.00 0.00 C ATOM 794 C VAL A 50 -3.567 -7.424 -2.061 1.00 0.00 C ATOM 795 O VAL A 50 -3.311 -6.300 -2.497 1.00 0.00 O ATOM 796 CB VAL A 50 -5.824 -8.478 -1.919 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.323 -7.112 -1.472 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.906 -9.225 -2.685 1.00 0.00 C ATOM 0 H VAL A 50 -4.569 -10.428 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.824 -7.889 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.575 -9.057 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.220 -7.233 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.551 -6.617 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.556 -6.506 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.795 -9.318 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.155 -8.675 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.544 -10.218 -2.950 1.00 0.00 H new ATOM 808 N LEU A 51 -3.012 -7.914 -0.958 1.00 0.00 N ATOM 809 CA LEU A 51 -2.050 -7.144 -0.178 1.00 0.00 C ATOM 810 C LEU A 51 -0.906 -6.650 -1.057 1.00 0.00 C ATOM 811 O LEU A 51 -0.599 -5.459 -1.078 1.00 0.00 O ATOM 812 CB LEU A 51 -1.497 -7.994 0.968 1.00 0.00 C ATOM 813 CG LEU A 51 -2.503 -8.407 2.044 1.00 0.00 C ATOM 814 CD1 LEU A 51 -1.929 -9.514 2.914 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.896 -7.207 2.894 1.00 0.00 C ATOM 0 H LEU A 51 -3.212 -8.842 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.566 -6.277 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.057 -8.897 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.689 -7.441 1.447 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.398 -8.787 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.658 -9.795 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.698 -10.381 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.018 -9.161 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.612 -7.519 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.009 -6.797 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.349 -6.445 2.260 1.00 0.00 H new ATOM 827 N GLN A 52 -0.283 -7.572 -1.783 1.00 0.00 N ATOM 828 CA GLN A 52 0.826 -7.229 -2.665 1.00 0.00 C ATOM 829 C GLN A 52 0.446 -6.080 -3.594 1.00 0.00 C ATOM 830 O GLN A 52 0.973 -4.974 -3.476 1.00 0.00 O ATOM 831 CB GLN A 52 1.247 -8.448 -3.488 1.00 0.00 C ATOM 832 CG GLN A 52 2.158 -9.405 -2.737 1.00 0.00 C ATOM 833 CD GLN A 52 3.557 -8.851 -2.549 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.773 -7.934 -1.756 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.516 -9.406 -3.279 1.00 0.00 N ATOM 0 H GLN A 52 -0.527 -8.562 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 52 1.665 -6.910 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.354 -8.985 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.756 -8.109 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.724 -9.624 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.215 -10.348 -3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.292 -10.164 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.477 -9.075 -3.195 1.00 0.00 H new ATOM 844 N VAL A 53 -0.471 -6.350 -4.517 1.00 0.00 N ATOM 845 CA VAL A 53 -0.922 -5.338 -5.465 1.00 0.00 C ATOM 846 C VAL A 53 -1.162 -4.002 -4.771 1.00 0.00 C ATOM 847 O VAL A 53 -0.525 -3.000 -5.095 1.00 0.00 O ATOM 848 CB VAL A 53 -2.215 -5.774 -6.178 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.651 -4.722 -7.186 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.023 -7.124 -6.854 1.00 0.00 C ATOM 0 H VAL A 53 -0.916 -7.261 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.130 -5.222 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.003 -5.876 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.566 -5.048 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.833 -3.778 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.867 -4.584 -7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.947 -7.416 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.221 -7.052 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.763 -7.872 -6.105 1.00 0.00 H new ATOM 860 N TRP A 54 -2.084 -3.997 -3.815 1.00 0.00 N ATOM 861 CA TRP A 54 -2.408 -2.783 -3.074 1.00 0.00 C ATOM 862 C TRP A 54 -1.143 -2.010 -2.714 1.00 0.00 C ATOM 863 O TRP A 54 -0.911 -0.912 -3.217 1.00 0.00 O ATOM 864 CB TRP A 54 -3.188 -3.129 -1.805 1.00 0.00 C ATOM 865 CG TRP A 54 -3.593 -1.924 -1.009 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.729 -1.184 -1.164 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.861 -1.322 0.063 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.748 -0.157 -0.252 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.614 -0.219 0.513 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.644 -1.606 0.689 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.188 0.596 1.559 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.222 -0.795 1.726 1.00 0.00 C ATOM 873 CH2 TRP A 54 -1.993 0.295 2.153 1.00 0.00 C ATOM 0 H TRP A 54 -2.620 -4.819 -3.535 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.027 -2.152 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.081 -3.692 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.579 -3.781 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.499 -1.377 -1.896 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.487 0.539 -0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.044 -2.445 0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.780 1.436 1.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.282 -1.005 2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.637 0.909 2.967 1.00 0.00 H new ATOM 884 N PHE A 55 -0.330 -2.593 -1.839 1.00 0.00 N ATOM 885 CA PHE A 55 0.912 -1.958 -1.411 1.00 0.00 C ATOM 886 C PHE A 55 1.670 -1.385 -2.605 1.00 0.00 C ATOM 887 O PHE A 55 2.074 -0.222 -2.596 1.00 0.00 O ATOM 888 CB PHE A 55 1.794 -2.963 -0.667 1.00 0.00 C ATOM 889 CG PHE A 55 1.543 -3.000 0.813 1.00 0.00 C ATOM 890 CD1 PHE A 55 1.984 -1.971 1.629 1.00 0.00 C ATOM 891 CD2 PHE A 55 0.868 -4.065 1.389 1.00 0.00 C ATOM 892 CE1 PHE A 55 1.756 -2.003 2.992 1.00 0.00 C ATOM 893 CE2 PHE A 55 0.636 -4.102 2.751 1.00 0.00 C ATOM 894 CZ PHE A 55 1.080 -3.069 3.554 1.00 0.00 C ATOM 0 H PHE A 55 -0.508 -3.502 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 55 0.658 -1.139 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.627 -3.957 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.841 -2.716 -0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.512 -1.134 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.519 -4.875 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.106 -1.195 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.108 -4.937 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.899 -3.095 4.618 1.00 0.00 H new ATOM 904 N GLN A 56 1.858 -2.211 -3.630 1.00 0.00 N ATOM 905 CA GLN A 56 2.568 -1.786 -4.831 1.00 0.00 C ATOM 906 C GLN A 56 1.958 -0.511 -5.403 1.00 0.00 C ATOM 907 O GLN A 56 2.672 0.381 -5.857 1.00 0.00 O ATOM 908 CB GLN A 56 2.542 -2.896 -5.883 1.00 0.00 C ATOM 909 CG GLN A 56 3.421 -4.086 -5.535 1.00 0.00 C ATOM 910 CD GLN A 56 3.936 -4.809 -6.764 1.00 0.00 C ATOM 911 OE1 GLN A 56 3.407 -4.643 -7.864 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.973 -5.618 -6.584 1.00 0.00 N ATOM 0 H GLN A 56 1.529 -3.176 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 56 3.602 -1.579 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.515 -3.239 -6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.863 -2.485 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.267 -3.746 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.854 -4.784 -4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.380 -5.726 -5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.362 -6.132 -7.375 1.00 0.00 H new ATOM 921 N ASN A 57 0.631 -0.433 -5.377 1.00 0.00 N ATOM 922 CA ASN A 57 -0.076 0.733 -5.895 1.00 0.00 C ATOM 923 C ASN A 57 0.019 1.903 -4.920 1.00 0.00 C ATOM 924 O ASN A 57 -0.163 3.059 -5.303 1.00 0.00 O ATOM 925 CB ASN A 57 -1.544 0.390 -6.157 1.00 0.00 C ATOM 926 CG ASN A 57 -1.774 -0.131 -7.562 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.113 0.630 -8.470 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.591 -1.432 -7.749 1.00 0.00 N ATOM 0 H ASN A 57 0.024 -1.163 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 57 0.394 1.026 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.874 -0.358 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.156 1.278 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.731 -1.839 -8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.310 -2.025 -6.968 1.00 0.00 H new ATOM 935 N ALA A 58 0.305 1.595 -3.660 1.00 0.00 N ATOM 936 CA ALA A 58 0.427 2.620 -2.632 1.00 0.00 C ATOM 937 C ALA A 58 1.647 3.500 -2.875 1.00 0.00 C ATOM 938 O ALA A 58 1.535 4.723 -2.964 1.00 0.00 O ATOM 939 CB ALA A 58 0.503 1.979 -1.253 1.00 0.00 C ATOM 0 H ALA A 58 0.457 0.643 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.460 3.252 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.594 2.757 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.402 1.399 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.371 1.322 -1.205 1.00 0.00 H new ATOM 945 N ARG A 59 2.814 2.871 -2.983 1.00 0.00 N ATOM 946 CA ARG A 59 4.056 3.598 -3.216 1.00 0.00 C ATOM 947 C ARG A 59 3.910 4.560 -4.391 1.00 0.00 C ATOM 948 O ARG A 59 4.518 5.630 -4.408 1.00 0.00 O ATOM 949 CB ARG A 59 5.202 2.620 -3.481 1.00 0.00 C ATOM 950 CG ARG A 59 5.468 1.667 -2.327 1.00 0.00 C ATOM 951 CD ARG A 59 6.684 0.794 -2.597 1.00 0.00 C ATOM 952 NE ARG A 59 6.406 -0.241 -3.590 1.00 0.00 N ATOM 953 CZ ARG A 59 6.483 -0.041 -4.900 1.00 0.00 C ATOM 954 NH1 ARG A 59 6.827 1.149 -5.374 1.00 0.00 N ATOM 955 NH2 ARG A 59 6.215 -1.032 -5.740 1.00 0.00 N ATOM 0 H ARG A 59 2.925 1.859 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 59 4.283 4.178 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.974 2.040 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.110 3.185 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.624 2.237 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.594 1.036 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.508 1.418 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.008 0.326 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 59 6.138 -1.168 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.033 1.914 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.885 1.299 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.950 -1.948 -5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.274 -0.878 -6.746 1.00 0.00 H new