USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 549 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 64 ASN : amide:sc= -4.58! K(o=-3.1!,f=0.3) USER MOD Set 1.2: A 83 SER OG : rot 69:sc= 1.43 USER MOD Single : A 12 HIS : no HE2:sc= -0.371 X(o=-0.37,f=-0.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.179 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -107:sc= 1.11 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00739 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -73:sc= 1.03 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 73 MET CE :methyl -156:sc= -3.91! (180deg=-8.21!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 39:sc= -0.82 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -49:sc= 0.174 USER MOD Single : A 87 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-1.6) USER MOD Single : A 88 MET CE :methyl -144:sc= -2.38 (180deg=-3.27!) USER MOD Single : A 89 MET CE :methyl 173:sc= -5.81! (180deg=-5.85!) USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -4.894 -11.602 -13.195 1.00 0.00 N ATOM 90 CA ILE A 10 -5.859 -10.556 -12.904 1.00 0.00 C ATOM 91 C ILE A 10 -5.256 -9.578 -11.893 1.00 0.00 C ATOM 92 O ILE A 10 -4.362 -9.941 -11.130 1.00 0.00 O ATOM 93 CB ILE A 10 -7.189 -11.164 -12.453 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.703 -12.178 -13.477 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.220 -10.072 -12.161 1.00 0.00 C ATOM 96 CD1 ILE A 10 -7.045 -13.544 -13.273 1.00 0.00 C ATOM 0 HA ILE A 10 -6.085 -9.985 -13.805 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.019 -11.704 -11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.785 -12.274 -13.387 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.498 -11.818 -14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.156 -10.531 -11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.847 -9.422 -11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.393 -9.484 -13.063 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.428 -14.246 -14.013 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.965 -13.448 -13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.273 -13.912 -12.272 1.00 0.00 H new ATOM 108 N ILE A 11 -5.769 -8.357 -11.920 1.00 0.00 N ATOM 109 CA ILE A 11 -5.293 -7.324 -11.016 1.00 0.00 C ATOM 110 C ILE A 11 -6.223 -7.245 -9.804 1.00 0.00 C ATOM 111 O ILE A 11 -7.433 -7.424 -9.933 1.00 0.00 O ATOM 112 CB ILE A 11 -5.133 -5.995 -11.757 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.977 -6.060 -12.757 1.00 0.00 C ATOM 114 CG2 ILE A 11 -4.975 -4.834 -10.773 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.666 -5.611 -12.109 1.00 0.00 C ATOM 0 H ILE A 11 -6.510 -8.060 -12.554 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.301 -7.574 -10.641 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.043 -5.811 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.872 -7.078 -13.131 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.198 -5.426 -13.616 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.863 -3.901 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.857 -4.775 -10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.092 -4.998 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.860 -5.667 -12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.767 -4.584 -11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.435 -6.262 -11.266 1.00 0.00 H new ATOM 127 N HIS A 12 -5.623 -6.976 -8.654 1.00 0.00 N ATOM 128 CA HIS A 12 -6.382 -6.871 -7.420 1.00 0.00 C ATOM 129 C HIS A 12 -6.422 -5.411 -6.964 1.00 0.00 C ATOM 130 O HIS A 12 -5.398 -4.729 -6.965 1.00 0.00 O ATOM 131 CB HIS A 12 -5.817 -7.810 -6.352 1.00 0.00 C ATOM 132 CG HIS A 12 -5.943 -9.275 -6.694 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.405 -10.219 -5.792 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.664 -9.949 -7.847 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.399 -11.403 -6.386 1.00 0.00 C ATOM 136 NE2 HIS A 12 -5.939 -11.234 -7.659 1.00 0.00 N ATOM 0 H HIS A 12 -4.619 -6.828 -8.551 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.410 -7.190 -7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.765 -7.573 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.330 -7.622 -5.409 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.700 -10.034 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.284 -9.511 -8.758 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.705 -12.338 -5.941 1.00 0.00 H new ATOM 144 N SER A 13 -7.615 -4.975 -6.587 1.00 0.00 N ATOM 145 CA SER A 13 -7.801 -3.608 -6.130 1.00 0.00 C ATOM 146 C SER A 13 -7.808 -3.564 -4.601 1.00 0.00 C ATOM 147 O SER A 13 -8.565 -4.291 -3.959 1.00 0.00 O ATOM 148 CB SER A 13 -9.098 -3.014 -6.684 1.00 0.00 C ATOM 149 OG SER A 13 -9.615 -3.780 -7.769 1.00 0.00 O ATOM 0 H SER A 13 -8.462 -5.544 -6.589 1.00 0.00 H new ATOM 0 HA SER A 13 -6.970 -3.007 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.842 -2.963 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.916 -1.992 -7.016 1.00 0.00 H new ATOM 0 HG SER A 13 -10.444 -3.370 -8.094 1.00 0.00 H new ATOM 155 N VAL A 14 -6.957 -2.703 -4.061 1.00 0.00 N ATOM 156 CA VAL A 14 -6.856 -2.555 -2.619 1.00 0.00 C ATOM 157 C VAL A 14 -6.563 -1.092 -2.281 1.00 0.00 C ATOM 158 O VAL A 14 -5.896 -0.396 -3.045 1.00 0.00 O ATOM 159 CB VAL A 14 -5.804 -3.519 -2.067 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.486 -3.389 -2.832 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.592 -3.298 -0.568 1.00 0.00 C ATOM 0 H VAL A 14 -6.331 -2.101 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.800 -2.817 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.174 -4.535 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.756 -4.085 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.652 -3.619 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.110 -2.370 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.840 -3.996 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.255 -2.276 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.531 -3.465 -0.039 1.00 0.00 H new ATOM 171 N ARG A 15 -7.075 -0.668 -1.135 1.00 0.00 N ATOM 172 CA ARG A 15 -6.877 0.699 -0.686 1.00 0.00 C ATOM 173 C ARG A 15 -6.418 0.718 0.773 1.00 0.00 C ATOM 174 O ARG A 15 -7.220 0.513 1.682 1.00 0.00 O ATOM 175 CB ARG A 15 -8.164 1.515 -0.819 1.00 0.00 C ATOM 176 CG ARG A 15 -8.284 2.126 -2.217 1.00 0.00 C ATOM 177 CD ARG A 15 -9.428 3.140 -2.276 1.00 0.00 C ATOM 178 NE ARG A 15 -8.910 4.467 -2.677 1.00 0.00 N ATOM 179 CZ ARG A 15 -9.672 5.559 -2.824 1.00 0.00 C ATOM 180 NH1 ARG A 15 -10.992 5.489 -2.604 1.00 0.00 N ATOM 181 NH2 ARG A 15 -9.115 6.721 -3.191 1.00 0.00 N ATOM 0 H ARG A 15 -7.627 -1.248 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.110 1.147 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.025 0.877 -0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.176 2.307 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.347 2.613 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.455 1.337 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.184 2.806 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.914 3.209 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.909 4.556 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.416 4.604 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.572 6.320 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.110 6.774 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.696 7.552 -3.303 1.00 0.00 H new ATOM 195 N VAL A 16 -5.129 0.965 0.952 1.00 0.00 N ATOM 196 CA VAL A 16 -4.554 1.013 2.285 1.00 0.00 C ATOM 197 C VAL A 16 -4.588 2.453 2.800 1.00 0.00 C ATOM 198 O VAL A 16 -4.332 3.392 2.047 1.00 0.00 O ATOM 199 CB VAL A 16 -3.144 0.418 2.269 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.372 0.802 3.533 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.192 -1.102 2.097 1.00 0.00 C ATOM 0 H VAL A 16 -4.466 1.134 0.195 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.141 0.407 2.975 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.614 0.836 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.374 0.366 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.292 1.887 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.899 0.426 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.177 -1.499 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.748 -1.544 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.685 -1.346 1.156 1.00 0.00 H new ATOM 211 N GLU A 17 -4.908 2.584 4.079 1.00 0.00 N ATOM 212 CA GLU A 17 -4.979 3.894 4.703 1.00 0.00 C ATOM 213 C GLU A 17 -3.591 4.337 5.169 1.00 0.00 C ATOM 214 O GLU A 17 -2.659 3.535 5.203 1.00 0.00 O ATOM 215 CB GLU A 17 -5.974 3.894 5.865 1.00 0.00 C ATOM 216 CG GLU A 17 -7.179 4.785 5.556 1.00 0.00 C ATOM 217 CD GLU A 17 -8.219 4.031 4.724 1.00 0.00 C ATOM 218 OE1 GLU A 17 -8.965 3.235 5.335 1.00 0.00 O ATOM 219 OE2 GLU A 17 -8.244 4.267 3.497 1.00 0.00 O ATOM 0 H GLU A 17 -5.121 1.804 4.700 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.336 4.609 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.311 2.876 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.480 4.245 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.631 5.127 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.850 5.673 5.016 1.00 0.00 H new ATOM 314 N LEU A 24 5.093 1.097 6.912 1.00 0.00 N ATOM 315 CA LEU A 24 3.818 0.751 6.307 1.00 0.00 C ATOM 316 C LEU A 24 3.204 -0.430 7.062 1.00 0.00 C ATOM 317 O LEU A 24 3.921 -1.228 7.663 1.00 0.00 O ATOM 318 CB LEU A 24 3.988 0.500 4.807 1.00 0.00 C ATOM 319 CG LEU A 24 3.448 1.591 3.880 1.00 0.00 C ATOM 320 CD1 LEU A 24 2.061 2.056 4.329 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.435 2.755 3.769 1.00 0.00 C ATOM 0 HA LEU A 24 3.118 1.582 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.050 0.367 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.494 -0.439 4.557 1.00 0.00 H new ATOM 0 HG LEU A 24 3.337 1.167 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.701 2.831 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.372 1.212 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.121 2.456 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.027 3.516 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.601 3.186 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.381 2.393 3.367 1.00 0.00 H new ATOM 333 N GLY A 25 1.882 -0.503 7.007 1.00 0.00 N ATOM 334 CA GLY A 25 1.163 -1.572 7.678 1.00 0.00 C ATOM 335 C GLY A 25 1.581 -2.940 7.134 1.00 0.00 C ATOM 336 O GLY A 25 1.288 -3.969 7.741 1.00 0.00 O ATOM 0 H GLY A 25 1.290 0.161 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.357 -1.528 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.090 -1.435 7.542 1.00 0.00 H new ATOM 340 N PHE A 26 2.260 -2.906 5.997 1.00 0.00 N ATOM 341 CA PHE A 26 2.721 -4.130 5.364 1.00 0.00 C ATOM 342 C PHE A 26 4.237 -4.104 5.160 1.00 0.00 C ATOM 343 O PHE A 26 4.838 -3.033 5.078 1.00 0.00 O ATOM 344 CB PHE A 26 2.036 -4.215 3.999 1.00 0.00 C ATOM 345 CG PHE A 26 2.236 -2.975 3.125 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.569 -1.825 3.413 1.00 0.00 C ATOM 347 CD2 PHE A 26 3.080 -3.023 2.060 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.755 -0.675 2.602 1.00 0.00 C ATOM 349 CE2 PHE A 26 3.266 -1.873 1.248 1.00 0.00 C ATOM 350 CZ PHE A 26 2.599 -0.723 1.536 1.00 0.00 C ATOM 0 H PHE A 26 2.502 -2.050 5.498 1.00 0.00 H new ATOM 0 HA PHE A 26 2.480 -4.987 5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.416 -5.087 3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.968 -4.373 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.898 -1.787 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.609 -3.936 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.226 0.238 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.937 -1.911 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.739 0.152 0.919 1.00 0.00 H new ATOM 360 N SER A 27 4.813 -5.295 5.083 1.00 0.00 N ATOM 361 CA SER A 27 6.247 -5.422 4.890 1.00 0.00 C ATOM 362 C SER A 27 6.543 -5.905 3.468 1.00 0.00 C ATOM 363 O SER A 27 6.005 -6.920 3.029 1.00 0.00 O ATOM 364 CB SER A 27 6.859 -6.380 5.914 1.00 0.00 C ATOM 365 OG SER A 27 7.963 -5.795 6.600 1.00 0.00 O ATOM 0 H SER A 27 4.312 -6.181 5.151 1.00 0.00 H new ATOM 0 HA SER A 27 6.699 -4.441 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.097 -6.673 6.637 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.186 -7.289 5.409 1.00 0.00 H new ATOM 0 HG SER A 27 8.324 -6.437 7.246 1.00 0.00 H new ATOM 371 N VAL A 28 7.398 -5.155 2.789 1.00 0.00 N ATOM 372 CA VAL A 28 7.772 -5.494 1.426 1.00 0.00 C ATOM 373 C VAL A 28 9.217 -5.996 1.408 1.00 0.00 C ATOM 374 O VAL A 28 9.993 -5.695 2.313 1.00 0.00 O ATOM 375 CB VAL A 28 7.545 -4.292 0.507 1.00 0.00 C ATOM 376 CG1 VAL A 28 6.051 -4.049 0.281 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.227 -3.040 1.062 1.00 0.00 C ATOM 0 H VAL A 28 7.843 -4.314 3.157 1.00 0.00 H new ATOM 0 HA VAL A 28 7.143 -6.300 1.047 1.00 0.00 H new ATOM 0 HB VAL A 28 7.997 -4.519 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.917 -3.189 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.605 -4.930 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.565 -3.854 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.050 -2.201 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.819 -2.809 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.299 -3.217 1.147 1.00 0.00 H new ATOM 387 N ARG A 29 9.534 -6.752 0.367 1.00 0.00 N ATOM 388 CA ARG A 29 10.873 -7.298 0.220 1.00 0.00 C ATOM 389 C ARG A 29 11.467 -6.889 -1.129 1.00 0.00 C ATOM 390 O ARG A 29 10.743 -6.457 -2.025 1.00 0.00 O ATOM 391 CB ARG A 29 10.859 -8.825 0.320 1.00 0.00 C ATOM 392 CG ARG A 29 10.031 -9.441 -0.809 1.00 0.00 C ATOM 393 CD ARG A 29 10.412 -10.906 -1.032 1.00 0.00 C ATOM 394 NE ARG A 29 9.953 -11.352 -2.366 1.00 0.00 N ATOM 395 CZ ARG A 29 8.695 -11.721 -2.643 1.00 0.00 C ATOM 396 NH1 ARG A 29 7.764 -11.702 -1.680 1.00 0.00 N ATOM 397 NH2 ARG A 29 8.368 -12.111 -3.882 1.00 0.00 N ATOM 0 H ARG A 29 8.887 -6.999 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 29 11.485 -6.897 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.880 -9.205 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.448 -9.126 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.970 -9.370 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.187 -8.877 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.492 -11.025 -0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.964 -11.529 -0.258 1.00 0.00 H new ATOM 0 HE ARG A 29 10.637 -11.380 -3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.013 -11.407 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.806 -11.983 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.077 -12.127 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.410 -12.392 -4.092 1.00 0.00 H new ATOM 411 N GLY A 30 12.780 -7.038 -1.231 1.00 0.00 N ATOM 412 CA GLY A 30 13.480 -6.689 -2.456 1.00 0.00 C ATOM 413 C GLY A 30 14.257 -5.382 -2.289 1.00 0.00 C ATOM 414 O GLY A 30 14.626 -5.012 -1.176 1.00 0.00 O ATOM 0 H GLY A 30 13.377 -7.396 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.165 -7.491 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.765 -6.589 -3.272 1.00 0.00 H new ATOM 494 N GLY A 37 10.256 -5.754 -9.150 1.00 0.00 N ATOM 495 CA GLY A 37 9.404 -4.745 -8.543 1.00 0.00 C ATOM 496 C GLY A 37 9.316 -4.942 -7.028 1.00 0.00 C ATOM 497 O GLY A 37 10.183 -5.577 -6.429 1.00 0.00 O ATOM 0 HA2 GLY A 37 9.797 -3.752 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.406 -4.796 -8.979 1.00 0.00 H new ATOM 501 N ILE A 38 8.260 -4.387 -6.452 1.00 0.00 N ATOM 502 CA ILE A 38 8.047 -4.493 -5.018 1.00 0.00 C ATOM 503 C ILE A 38 7.108 -5.667 -4.733 1.00 0.00 C ATOM 504 O ILE A 38 6.054 -5.790 -5.355 1.00 0.00 O ATOM 505 CB ILE A 38 7.556 -3.161 -4.449 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.616 -2.070 -4.616 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.117 -3.316 -2.991 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.829 -2.343 -3.725 1.00 0.00 C ATOM 0 H ILE A 38 7.542 -3.862 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 38 8.987 -4.704 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 38 6.680 -2.849 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.930 -2.020 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.187 -1.100 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.772 -2.354 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.306 -4.042 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.959 -3.662 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.567 -1.553 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.515 -2.368 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.270 -3.303 -3.995 1.00 0.00 H new ATOM 520 N PHE A 39 7.524 -6.501 -3.791 1.00 0.00 N ATOM 521 CA PHE A 39 6.733 -7.660 -3.415 1.00 0.00 C ATOM 522 C PHE A 39 6.433 -7.657 -1.915 1.00 0.00 C ATOM 523 O PHE A 39 7.289 -7.296 -1.108 1.00 0.00 O ATOM 524 CB PHE A 39 7.566 -8.898 -3.753 1.00 0.00 C ATOM 525 CG PHE A 39 7.728 -9.148 -5.254 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.413 -8.259 -6.022 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.187 -10.260 -5.820 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.564 -8.491 -7.414 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.337 -10.492 -7.213 1.00 0.00 C ATOM 530 CZ PHE A 39 8.022 -9.603 -7.981 1.00 0.00 C ATOM 0 H PHE A 39 8.399 -6.397 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 39 5.782 -7.650 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.554 -8.793 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.100 -9.772 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.842 -7.376 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.643 -10.966 -5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.109 -7.785 -8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.907 -11.375 -7.663 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.136 -9.779 -9.040 1.00 0.00 H new ATOM 540 N VAL A 40 5.215 -8.062 -1.586 1.00 0.00 N ATOM 541 CA VAL A 40 4.791 -8.110 -0.197 1.00 0.00 C ATOM 542 C VAL A 40 5.413 -9.334 0.479 1.00 0.00 C ATOM 543 O VAL A 40 5.615 -10.365 -0.160 1.00 0.00 O ATOM 544 CB VAL A 40 3.264 -8.093 -0.115 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.794 -7.833 1.317 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.674 -7.063 -1.081 1.00 0.00 C ATOM 0 H VAL A 40 4.508 -8.360 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 40 5.141 -7.229 0.340 1.00 0.00 H new ATOM 0 HB VAL A 40 2.902 -9.077 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.704 -7.826 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.170 -8.619 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.172 -6.868 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.587 -7.072 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.048 -6.071 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.966 -7.312 -2.101 1.00 0.00 H new ATOM 556 N SER A 41 5.699 -9.179 1.763 1.00 0.00 N ATOM 557 CA SER A 41 6.293 -10.258 2.533 1.00 0.00 C ATOM 558 C SER A 41 5.455 -10.532 3.784 1.00 0.00 C ATOM 559 O SER A 41 5.103 -11.677 4.061 1.00 0.00 O ATOM 560 CB SER A 41 7.735 -9.928 2.922 1.00 0.00 C ATOM 561 OG SER A 41 7.855 -9.602 4.304 1.00 0.00 O ATOM 0 H SER A 41 5.530 -8.322 2.290 1.00 0.00 H new ATOM 0 HA SER A 41 6.309 -11.153 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.376 -10.780 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.090 -9.091 2.320 1.00 0.00 H new ATOM 0 HG SER A 41 8.791 -9.399 4.512 1.00 0.00 H new ATOM 567 N LYS A 42 5.162 -9.460 4.506 1.00 0.00 N ATOM 568 CA LYS A 42 4.372 -9.570 5.721 1.00 0.00 C ATOM 569 C LYS A 42 3.325 -8.455 5.747 1.00 0.00 C ATOM 570 O LYS A 42 3.491 -7.428 5.090 1.00 0.00 O ATOM 571 CB LYS A 42 5.282 -9.588 6.951 1.00 0.00 C ATOM 572 CG LYS A 42 4.492 -9.948 8.212 1.00 0.00 C ATOM 573 CD LYS A 42 4.033 -8.688 8.949 1.00 0.00 C ATOM 574 CE LYS A 42 5.111 -8.196 9.917 1.00 0.00 C ATOM 575 NZ LYS A 42 4.682 -8.402 11.318 1.00 0.00 N ATOM 0 H LYS A 42 5.457 -8.512 4.273 1.00 0.00 H new ATOM 0 HA LYS A 42 3.831 -10.516 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.086 -10.309 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.749 -8.611 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.626 -10.552 7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.111 -10.555 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.802 -7.904 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.115 -8.897 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.044 -8.730 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.309 -7.138 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.425 -8.063 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.804 -7.873 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.515 -9.415 11.485 1.00 0.00 H new ATOM 589 N VAL A 43 2.270 -8.695 6.512 1.00 0.00 N ATOM 590 CA VAL A 43 1.196 -7.723 6.631 1.00 0.00 C ATOM 591 C VAL A 43 0.738 -7.653 8.089 1.00 0.00 C ATOM 592 O VAL A 43 0.007 -8.524 8.557 1.00 0.00 O ATOM 593 CB VAL A 43 0.063 -8.074 5.665 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.207 -7.289 6.001 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.486 -7.838 4.214 1.00 0.00 C ATOM 0 H VAL A 43 2.136 -9.548 7.055 1.00 0.00 H new ATOM 0 HA VAL A 43 1.547 -6.730 6.352 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.159 -9.135 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.997 -7.557 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.526 -7.529 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.004 -6.221 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.338 -8.095 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.749 -6.789 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.349 -8.461 3.981 1.00 0.00 H new ATOM 605 N GLU A 44 1.188 -6.607 8.768 1.00 0.00 N ATOM 606 CA GLU A 44 0.834 -6.411 10.163 1.00 0.00 C ATOM 607 C GLU A 44 -0.643 -6.740 10.387 1.00 0.00 C ATOM 608 O GLU A 44 -1.510 -6.234 9.676 1.00 0.00 O ATOM 609 CB GLU A 44 1.153 -4.985 10.615 1.00 0.00 C ATOM 610 CG GLU A 44 1.935 -4.988 11.929 1.00 0.00 C ATOM 611 CD GLU A 44 1.680 -3.704 12.722 1.00 0.00 C ATOM 612 OE1 GLU A 44 0.501 -3.292 12.771 1.00 0.00 O ATOM 613 OE2 GLU A 44 2.670 -3.164 13.261 1.00 0.00 O ATOM 0 H GLU A 44 1.795 -5.886 8.377 1.00 0.00 H new ATOM 0 HA GLU A 44 1.433 -7.091 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.732 -4.477 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.227 -4.424 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.645 -5.852 12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.001 -5.086 11.722 1.00 0.00 H new ATOM 620 N GLU A 45 -0.885 -7.587 11.377 1.00 0.00 N ATOM 621 CA GLU A 45 -2.242 -7.989 11.703 1.00 0.00 C ATOM 622 C GLU A 45 -3.044 -6.789 12.211 1.00 0.00 C ATOM 623 O GLU A 45 -2.473 -5.752 12.543 1.00 0.00 O ATOM 624 CB GLU A 45 -2.246 -9.125 12.728 1.00 0.00 C ATOM 625 CG GLU A 45 -2.123 -8.579 14.152 1.00 0.00 C ATOM 626 CD GLU A 45 -1.729 -9.686 15.132 1.00 0.00 C ATOM 627 OE1 GLU A 45 -2.091 -10.848 14.850 1.00 0.00 O ATOM 628 OE2 GLU A 45 -1.075 -9.344 16.141 1.00 0.00 O ATOM 0 H GLU A 45 -0.164 -8.006 11.964 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.718 -8.361 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.166 -9.701 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.421 -9.807 12.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.378 -7.784 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.071 -8.137 14.459 1.00 0.00 H new ATOM 635 N GLY A 46 -4.356 -6.971 12.257 1.00 0.00 N ATOM 636 CA GLY A 46 -5.242 -5.916 12.719 1.00 0.00 C ATOM 637 C GLY A 46 -4.767 -4.547 12.228 1.00 0.00 C ATOM 638 O GLY A 46 -4.923 -3.545 12.924 1.00 0.00 O ATOM 0 H GLY A 46 -4.826 -7.833 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.254 -6.104 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.283 -5.922 13.808 1.00 0.00 H new ATOM 642 N SER A 47 -4.197 -4.548 11.032 1.00 0.00 N ATOM 643 CA SER A 47 -3.699 -3.318 10.439 1.00 0.00 C ATOM 644 C SER A 47 -4.658 -2.836 9.348 1.00 0.00 C ATOM 645 O SER A 47 -5.695 -3.454 9.112 1.00 0.00 O ATOM 646 CB SER A 47 -2.295 -3.514 9.863 1.00 0.00 C ATOM 647 OG SER A 47 -2.330 -4.008 8.528 1.00 0.00 O ATOM 0 H SER A 47 -4.069 -5.381 10.457 1.00 0.00 H new ATOM 0 HA SER A 47 -3.640 -2.561 11.221 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.759 -2.565 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.739 -4.209 10.492 1.00 0.00 H new ATOM 0 HG SER A 47 -2.050 -4.947 8.519 1.00 0.00 H new ATOM 653 N SER A 48 -4.276 -1.738 8.713 1.00 0.00 N ATOM 654 CA SER A 48 -5.089 -1.167 7.652 1.00 0.00 C ATOM 655 C SER A 48 -4.943 -1.997 6.376 1.00 0.00 C ATOM 656 O SER A 48 -5.900 -2.152 5.619 1.00 0.00 O ATOM 657 CB SER A 48 -4.702 0.289 7.386 1.00 0.00 C ATOM 658 OG SER A 48 -3.290 0.459 7.297 1.00 0.00 O ATOM 0 H SER A 48 -3.415 -1.229 8.912 1.00 0.00 H new ATOM 0 HA SER A 48 -6.131 -1.185 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.166 0.624 6.458 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.093 0.920 8.184 1.00 0.00 H new ATOM 0 HG SER A 48 -3.084 1.402 7.125 1.00 0.00 H new ATOM 664 N ALA A 49 -3.737 -2.509 6.176 1.00 0.00 N ATOM 665 CA ALA A 49 -3.453 -3.319 5.003 1.00 0.00 C ATOM 666 C ALA A 49 -4.312 -4.585 5.043 1.00 0.00 C ATOM 667 O ALA A 49 -5.169 -4.785 4.184 1.00 0.00 O ATOM 668 CB ALA A 49 -1.957 -3.632 4.949 1.00 0.00 C ATOM 0 H ALA A 49 -2.946 -2.379 6.806 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.706 -2.777 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.744 -4.239 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.392 -2.701 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.667 -4.179 5.846 1.00 0.00 H new ATOM 674 N GLU A 50 -4.053 -5.406 6.050 1.00 0.00 N ATOM 675 CA GLU A 50 -4.792 -6.646 6.213 1.00 0.00 C ATOM 676 C GLU A 50 -6.287 -6.407 5.990 1.00 0.00 C ATOM 677 O GLU A 50 -6.963 -7.224 5.368 1.00 0.00 O ATOM 678 CB GLU A 50 -4.534 -7.261 7.591 1.00 0.00 C ATOM 679 CG GLU A 50 -4.167 -8.741 7.471 1.00 0.00 C ATOM 680 CD GLU A 50 -5.048 -9.600 8.381 1.00 0.00 C ATOM 681 OE1 GLU A 50 -6.117 -10.029 7.895 1.00 0.00 O ATOM 682 OE2 GLU A 50 -4.632 -9.809 9.541 1.00 0.00 O ATOM 0 H GLU A 50 -3.342 -5.237 6.761 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.442 -7.356 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.728 -6.722 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.422 -7.152 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.282 -9.065 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.119 -8.882 7.735 1.00 0.00 H new ATOM 689 N ARG A 51 -6.758 -5.283 6.511 1.00 0.00 N ATOM 690 CA ARG A 51 -8.160 -4.927 6.376 1.00 0.00 C ATOM 691 C ARG A 51 -8.443 -4.409 4.964 1.00 0.00 C ATOM 692 O ARG A 51 -9.510 -4.663 4.409 1.00 0.00 O ATOM 693 CB ARG A 51 -8.555 -3.854 7.394 1.00 0.00 C ATOM 694 CG ARG A 51 -8.965 -4.487 8.725 1.00 0.00 C ATOM 695 CD ARG A 51 -9.857 -3.540 9.530 1.00 0.00 C ATOM 696 NE ARG A 51 -11.242 -4.060 9.570 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.605 -5.181 10.208 1.00 0.00 C ATOM 698 NH1 ARG A 51 -10.688 -5.906 10.863 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.885 -5.577 10.190 1.00 0.00 N ATOM 0 H ARG A 51 -6.194 -4.608 7.027 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.750 -5.824 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.719 -3.173 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.380 -3.260 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.494 -5.422 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.075 -4.734 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.470 -3.436 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.846 -2.547 9.081 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.965 -3.532 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.714 -5.605 10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.964 -6.759 11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.583 -5.025 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.162 -6.430 10.676 1.00 0.00 H new ATOM 713 N ALA A 52 -7.467 -3.693 4.424 1.00 0.00 N ATOM 714 CA ALA A 52 -7.598 -3.138 3.088 1.00 0.00 C ATOM 715 C ALA A 52 -7.721 -4.279 2.076 1.00 0.00 C ATOM 716 O ALA A 52 -8.245 -4.087 0.980 1.00 0.00 O ATOM 717 CB ALA A 52 -6.406 -2.225 2.795 1.00 0.00 C ATOM 0 H ALA A 52 -6.583 -3.485 4.888 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.500 -2.531 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.504 -1.809 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.381 -1.415 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.482 -2.800 2.860 1.00 0.00 H new ATOM 723 N GLY A 53 -7.230 -5.441 2.480 1.00 0.00 N ATOM 724 CA GLY A 53 -7.279 -6.613 1.623 1.00 0.00 C ATOM 725 C GLY A 53 -5.871 -7.137 1.330 1.00 0.00 C ATOM 726 O GLY A 53 -5.710 -8.254 0.840 1.00 0.00 O ATOM 0 H GLY A 53 -6.796 -5.596 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.869 -7.394 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.780 -6.363 0.688 1.00 0.00 H new ATOM 730 N LEU A 54 -4.888 -6.306 1.643 1.00 0.00 N ATOM 731 CA LEU A 54 -3.499 -6.671 1.420 1.00 0.00 C ATOM 732 C LEU A 54 -3.119 -7.812 2.366 1.00 0.00 C ATOM 733 O LEU A 54 -3.337 -7.722 3.573 1.00 0.00 O ATOM 734 CB LEU A 54 -2.596 -5.443 1.544 1.00 0.00 C ATOM 735 CG LEU A 54 -1.184 -5.589 0.972 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.224 -5.779 -0.546 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.303 -4.406 1.379 1.00 0.00 C ATOM 0 H LEU A 54 -5.026 -5.381 2.049 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.360 -7.039 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.084 -4.606 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.514 -5.182 2.599 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.734 -6.487 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.208 -5.880 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.792 -6.678 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.700 -4.915 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.695 -4.534 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.739 -3.481 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.237 -4.359 2.466 1.00 0.00 H new ATOM 749 N CYS A 55 -2.556 -8.860 1.782 1.00 0.00 N ATOM 750 CA CYS A 55 -2.143 -10.017 2.557 1.00 0.00 C ATOM 751 C CYS A 55 -0.760 -10.453 2.069 1.00 0.00 C ATOM 752 O CYS A 55 -0.149 -9.780 1.240 1.00 0.00 O ATOM 753 CB CYS A 55 -3.164 -11.152 2.467 1.00 0.00 C ATOM 754 SG CYS A 55 -3.850 -11.510 4.125 1.00 0.00 S ATOM 0 H CYS A 55 -2.376 -8.932 0.781 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.087 -9.750 3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.967 -10.876 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.692 -12.046 2.059 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.718 -12.474 4.037 1.00 0.00 H new ATOM 760 N VAL A 56 -0.306 -11.577 2.604 1.00 0.00 N ATOM 761 CA VAL A 56 0.993 -12.111 2.234 1.00 0.00 C ATOM 762 C VAL A 56 0.831 -13.050 1.036 1.00 0.00 C ATOM 763 O VAL A 56 -0.136 -13.806 0.961 1.00 0.00 O ATOM 764 CB VAL A 56 1.644 -12.790 3.441 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.693 -13.812 2.997 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.253 -11.755 4.389 1.00 0.00 C ATOM 0 H VAL A 56 -0.815 -12.133 3.291 1.00 0.00 H new ATOM 0 HA VAL A 56 1.663 -11.307 1.930 1.00 0.00 H new ATOM 0 HB VAL A 56 0.865 -13.325 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.140 -14.279 3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.219 -14.576 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.469 -13.310 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.709 -12.264 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.013 -11.179 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.472 -11.084 4.745 1.00 0.00 H new ATOM 776 N GLY A 57 1.794 -12.970 0.129 1.00 0.00 N ATOM 777 CA GLY A 57 1.770 -13.803 -1.062 1.00 0.00 C ATOM 778 C GLY A 57 1.326 -12.998 -2.285 1.00 0.00 C ATOM 779 O GLY A 57 0.829 -13.564 -3.258 1.00 0.00 O ATOM 0 H GLY A 57 2.595 -12.342 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.761 -14.221 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.092 -14.643 -0.909 1.00 0.00 H new ATOM 783 N ASP A 58 1.520 -11.690 -2.196 1.00 0.00 N ATOM 784 CA ASP A 58 1.146 -10.802 -3.283 1.00 0.00 C ATOM 785 C ASP A 58 2.332 -9.901 -3.631 1.00 0.00 C ATOM 786 O ASP A 58 3.239 -9.722 -2.820 1.00 0.00 O ATOM 787 CB ASP A 58 -0.028 -9.906 -2.883 1.00 0.00 C ATOM 788 CG ASP A 58 -1.382 -10.313 -3.467 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.370 -10.906 -4.567 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.398 -10.023 -2.800 1.00 0.00 O ATOM 0 H ASP A 58 1.932 -11.224 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 58 0.856 -11.416 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.106 -9.899 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.192 -8.885 -3.193 1.00 0.00 H new ATOM 795 N LYS A 59 2.286 -9.357 -4.839 1.00 0.00 N ATOM 796 CA LYS A 59 3.346 -8.479 -5.304 1.00 0.00 C ATOM 797 C LYS A 59 2.730 -7.197 -5.867 1.00 0.00 C ATOM 798 O LYS A 59 1.886 -7.250 -6.761 1.00 0.00 O ATOM 799 CB LYS A 59 4.253 -9.212 -6.295 1.00 0.00 C ATOM 800 CG LYS A 59 5.116 -8.224 -7.082 1.00 0.00 C ATOM 801 CD LYS A 59 4.714 -8.198 -8.558 1.00 0.00 C ATOM 802 CE LYS A 59 5.124 -9.494 -9.261 1.00 0.00 C ATOM 803 NZ LYS A 59 4.373 -9.658 -10.525 1.00 0.00 N ATOM 0 H LYS A 59 1.532 -9.507 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 59 3.990 -8.187 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.893 -9.912 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.646 -9.799 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.013 -7.226 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.166 -8.502 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.636 -8.059 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.184 -7.348 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.194 -9.480 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.936 -10.345 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.663 -10.542 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.354 -9.692 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.573 -8.855 -11.154 1.00 0.00 H new ATOM 817 N ILE A 60 3.174 -6.075 -5.321 1.00 0.00 N ATOM 818 CA ILE A 60 2.677 -4.781 -5.757 1.00 0.00 C ATOM 819 C ILE A 60 3.408 -4.363 -7.035 1.00 0.00 C ATOM 820 O ILE A 60 4.602 -4.071 -7.004 1.00 0.00 O ATOM 821 CB ILE A 60 2.782 -3.757 -4.626 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.905 -4.160 -3.438 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.456 -2.349 -5.128 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.610 -3.868 -2.112 1.00 0.00 C ATOM 0 H ILE A 60 3.873 -6.035 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 60 1.617 -4.843 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 60 3.814 -3.742 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.960 -3.618 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.667 -5.222 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.538 -1.641 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.157 -2.072 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.440 -2.330 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.965 -4.164 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.543 -4.430 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.825 -2.802 -2.041 1.00 0.00 H new ATOM 836 N THR A 61 2.660 -4.348 -8.128 1.00 0.00 N ATOM 837 CA THR A 61 3.221 -3.970 -9.414 1.00 0.00 C ATOM 838 C THR A 61 2.994 -2.481 -9.679 1.00 0.00 C ATOM 839 O THR A 61 3.672 -1.884 -10.513 1.00 0.00 O ATOM 840 CB THR A 61 2.609 -4.878 -10.482 1.00 0.00 C ATOM 841 OG1 THR A 61 1.235 -4.501 -10.513 1.00 0.00 O ATOM 842 CG2 THR A 61 2.582 -6.348 -10.057 1.00 0.00 C ATOM 0 H THR A 61 1.670 -4.592 -8.150 1.00 0.00 H new ATOM 0 HA THR A 61 4.302 -4.109 -9.430 1.00 0.00 H new ATOM 0 HB THR A 61 3.174 -4.779 -11.409 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.784 -4.843 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.138 -6.948 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.599 -6.691 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.989 -6.453 -9.148 1.00 0.00 H new ATOM 850 N GLU A 62 2.036 -1.923 -8.953 1.00 0.00 N ATOM 851 CA GLU A 62 1.710 -0.515 -9.099 1.00 0.00 C ATOM 852 C GLU A 62 1.031 0.008 -7.831 1.00 0.00 C ATOM 853 O GLU A 62 0.405 -0.756 -7.098 1.00 0.00 O ATOM 854 CB GLU A 62 0.829 -0.280 -10.328 1.00 0.00 C ATOM 855 CG GLU A 62 0.255 1.138 -10.329 1.00 0.00 C ATOM 856 CD GLU A 62 -0.458 1.440 -11.649 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.241 1.437 -12.685 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.685 1.668 -11.592 1.00 0.00 O ATOM 0 H GLU A 62 1.475 -2.421 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 62 2.638 0.038 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.413 -0.440 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.015 -1.005 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.443 1.252 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.057 1.859 -10.172 1.00 0.00 H new ATOM 865 N VAL A 63 1.178 1.306 -7.612 1.00 0.00 N ATOM 866 CA VAL A 63 0.588 1.939 -6.445 1.00 0.00 C ATOM 867 C VAL A 63 0.492 3.448 -6.682 1.00 0.00 C ATOM 868 O VAL A 63 1.448 4.069 -7.144 1.00 0.00 O ATOM 869 CB VAL A 63 1.390 1.581 -5.192 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.893 1.711 -5.448 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.960 2.439 -4.001 1.00 0.00 C ATOM 0 H VAL A 63 1.697 1.937 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.425 1.570 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 63 1.181 0.540 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.440 1.451 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.184 1.037 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.126 2.737 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.546 2.164 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.125 3.491 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.098 2.274 -3.797 1.00 0.00 H new ATOM 881 N ASN A 64 -0.670 3.994 -6.355 1.00 0.00 N ATOM 882 CA ASN A 64 -0.902 5.418 -6.527 1.00 0.00 C ATOM 883 C ASN A 64 -0.864 5.760 -8.017 1.00 0.00 C ATOM 884 O ASN A 64 -0.819 6.932 -8.388 1.00 0.00 O ATOM 885 CB ASN A 64 0.179 6.241 -5.824 1.00 0.00 C ATOM 886 CG ASN A 64 -0.422 7.478 -5.155 1.00 0.00 C ATOM 887 OD1 ASN A 64 -0.547 8.538 -5.748 1.00 0.00 O ATOM 888 ND2 ASN A 64 -0.786 7.287 -3.890 1.00 0.00 N ATOM 0 H ASN A 64 -1.461 3.476 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.874 5.656 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.680 5.626 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.936 6.546 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.197 8.053 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.654 6.375 -3.453 1.00 0.00 H new ATOM 895 N GLY A 65 -0.883 4.716 -8.832 1.00 0.00 N ATOM 896 CA GLY A 65 -0.851 4.891 -10.274 1.00 0.00 C ATOM 897 C GLY A 65 0.559 4.668 -10.823 1.00 0.00 C ATOM 898 O GLY A 65 0.725 4.198 -11.948 1.00 0.00 O ATOM 0 H GLY A 65 -0.920 3.745 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.543 4.192 -10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.190 5.895 -10.530 1.00 0.00 H new ATOM 902 N LEU A 66 1.540 5.015 -10.003 1.00 0.00 N ATOM 903 CA LEU A 66 2.931 4.859 -10.391 1.00 0.00 C ATOM 904 C LEU A 66 3.308 3.376 -10.339 1.00 0.00 C ATOM 905 O LEU A 66 2.946 2.674 -9.396 1.00 0.00 O ATOM 906 CB LEU A 66 3.831 5.752 -9.535 1.00 0.00 C ATOM 907 CG LEU A 66 4.431 6.971 -10.239 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.561 7.582 -9.408 1.00 0.00 C ATOM 909 CD2 LEU A 66 4.888 6.616 -11.655 1.00 0.00 C ATOM 0 H LEU A 66 1.399 5.404 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 66 3.078 5.190 -11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.255 6.100 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.647 5.144 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 66 3.654 7.729 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.970 8.447 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.172 7.894 -8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.347 6.841 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.310 7.500 -12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.644 5.833 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.035 6.262 -12.235 1.00 0.00 H new ATOM 921 N SER A 67 4.029 2.945 -11.363 1.00 0.00 N ATOM 922 CA SER A 67 4.458 1.559 -11.445 1.00 0.00 C ATOM 923 C SER A 67 5.783 1.377 -10.702 1.00 0.00 C ATOM 924 O SER A 67 6.651 2.246 -10.752 1.00 0.00 O ATOM 925 CB SER A 67 4.599 1.111 -12.901 1.00 0.00 C ATOM 926 OG SER A 67 4.669 2.219 -13.795 1.00 0.00 O ATOM 0 H SER A 67 4.327 3.531 -12.143 1.00 0.00 H new ATOM 0 HA SER A 67 3.697 0.937 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.496 0.502 -13.008 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.752 0.481 -13.170 1.00 0.00 H new ATOM 0 HG SER A 67 4.760 1.892 -14.714 1.00 0.00 H new ATOM 932 N LEU A 68 5.897 0.240 -10.031 1.00 0.00 N ATOM 933 CA LEU A 68 7.102 -0.067 -9.279 1.00 0.00 C ATOM 934 C LEU A 68 7.750 -1.328 -9.856 1.00 0.00 C ATOM 935 O LEU A 68 8.295 -2.144 -9.115 1.00 0.00 O ATOM 936 CB LEU A 68 6.791 -0.165 -7.785 1.00 0.00 C ATOM 937 CG LEU A 68 5.829 0.889 -7.230 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.509 0.617 -5.758 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.378 2.300 -7.446 1.00 0.00 C ATOM 0 H LEU A 68 5.175 -0.479 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 68 7.828 0.740 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.373 -1.151 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.729 -0.099 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 68 4.891 0.821 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.824 1.380 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.045 -0.365 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.430 0.642 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.676 3.029 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.337 2.399 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.514 2.478 -8.513 1.00 0.00 H new ATOM 951 N GLU A 69 7.668 -1.447 -11.173 1.00 0.00 N ATOM 952 CA GLU A 69 8.240 -2.594 -11.857 1.00 0.00 C ATOM 953 C GLU A 69 9.715 -2.342 -12.175 1.00 0.00 C ATOM 954 O GLU A 69 10.431 -3.256 -12.581 1.00 0.00 O ATOM 955 CB GLU A 69 7.454 -2.922 -13.128 1.00 0.00 C ATOM 956 CG GLU A 69 6.242 -3.801 -12.812 1.00 0.00 C ATOM 957 CD GLU A 69 5.976 -4.796 -13.943 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.847 -5.669 -14.147 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.907 -4.662 -14.578 1.00 0.00 O ATOM 0 H GLU A 69 7.214 -0.768 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 69 8.174 -3.457 -11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.124 -1.999 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.103 -3.433 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.413 -4.341 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.363 -3.174 -12.660 1.00 0.00 H new ATOM 966 N SER A 70 10.125 -1.098 -11.978 1.00 0.00 N ATOM 967 CA SER A 70 11.502 -0.714 -12.239 1.00 0.00 C ATOM 968 C SER A 70 11.900 0.454 -11.334 1.00 0.00 C ATOM 969 O SER A 70 12.613 1.360 -11.762 1.00 0.00 O ATOM 970 CB SER A 70 11.701 -0.338 -13.709 1.00 0.00 C ATOM 971 OG SER A 70 10.806 0.691 -14.122 1.00 0.00 O ATOM 0 H SER A 70 9.528 -0.343 -11.641 1.00 0.00 H new ATOM 0 HA SER A 70 12.142 -1.569 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.728 -0.008 -13.863 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.552 -1.220 -14.332 1.00 0.00 H new ATOM 0 HG SER A 70 10.965 0.904 -15.065 1.00 0.00 H new ATOM 977 N THR A 71 11.422 0.394 -10.100 1.00 0.00 N ATOM 978 CA THR A 71 11.719 1.435 -9.131 1.00 0.00 C ATOM 979 C THR A 71 12.276 0.823 -7.844 1.00 0.00 C ATOM 980 O THR A 71 11.976 -0.325 -7.518 1.00 0.00 O ATOM 981 CB THR A 71 10.446 2.255 -8.912 1.00 0.00 C ATOM 982 OG1 THR A 71 10.538 3.303 -9.873 1.00 0.00 O ATOM 983 CG2 THR A 71 10.441 2.983 -7.567 1.00 0.00 C ATOM 0 H THR A 71 10.831 -0.359 -9.749 1.00 0.00 H new ATOM 0 HA THR A 71 12.496 2.106 -9.498 1.00 0.00 H new ATOM 0 HB THR A 71 9.578 1.599 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.751 3.882 -9.802 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.515 3.549 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.514 2.255 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.291 3.664 -7.519 1.00 0.00 H new ATOM 991 N THR A 72 13.076 1.616 -7.147 1.00 0.00 N ATOM 992 CA THR A 72 13.677 1.167 -5.903 1.00 0.00 C ATOM 993 C THR A 72 12.597 0.915 -4.849 1.00 0.00 C ATOM 994 O THR A 72 11.407 0.937 -5.157 1.00 0.00 O ATOM 995 CB THR A 72 14.713 2.209 -5.475 1.00 0.00 C ATOM 996 OG1 THR A 72 15.430 1.573 -4.421 1.00 0.00 O ATOM 997 CG2 THR A 72 14.075 3.429 -4.808 1.00 0.00 C ATOM 0 H THR A 72 13.322 2.567 -7.420 1.00 0.00 H new ATOM 0 HA THR A 72 14.189 0.213 -6.033 1.00 0.00 H new ATOM 0 HB THR A 72 15.286 2.529 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.124 2.178 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.854 4.137 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.387 3.907 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.529 3.114 -3.919 1.00 0.00 H new ATOM 1005 N MET A 73 13.052 0.681 -3.627 1.00 0.00 N ATOM 1006 CA MET A 73 12.139 0.426 -2.525 1.00 0.00 C ATOM 1007 C MET A 73 11.758 1.727 -1.816 1.00 0.00 C ATOM 1008 O MET A 73 10.587 2.101 -1.785 1.00 0.00 O ATOM 1009 CB MET A 73 12.799 -0.527 -1.526 1.00 0.00 C ATOM 1010 CG MET A 73 11.835 -0.886 -0.393 1.00 0.00 C ATOM 1011 SD MET A 73 12.212 -2.514 0.235 1.00 0.00 S ATOM 1012 CE MET A 73 10.947 -3.465 -0.589 1.00 0.00 C ATOM 0 H MET A 73 14.040 0.663 -3.375 1.00 0.00 H new ATOM 0 HA MET A 73 11.232 -0.025 -2.926 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.117 -1.435 -2.039 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.695 -0.064 -1.113 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.912 -0.151 0.408 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.807 -0.856 -0.755 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.749 -4.375 -0.023 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.034 -2.874 -0.656 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.284 -3.727 -1.592 1.00 0.00 H new ATOM 1022 N GLY A 74 12.769 2.380 -1.262 1.00 0.00 N ATOM 1023 CA GLY A 74 12.555 3.631 -0.555 1.00 0.00 C ATOM 1024 C GLY A 74 11.496 4.483 -1.257 1.00 0.00 C ATOM 1025 O GLY A 74 10.418 4.714 -0.712 1.00 0.00 O ATOM 0 H GLY A 74 13.739 2.066 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.242 3.425 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.492 4.185 -0.496 1.00 0.00 H new ATOM 1029 N SER A 75 11.841 4.928 -2.457 1.00 0.00 N ATOM 1030 CA SER A 75 10.933 5.750 -3.239 1.00 0.00 C ATOM 1031 C SER A 75 9.501 5.231 -3.094 1.00 0.00 C ATOM 1032 O SER A 75 8.598 5.985 -2.735 1.00 0.00 O ATOM 1033 CB SER A 75 11.343 5.773 -4.713 1.00 0.00 C ATOM 1034 OG SER A 75 10.896 6.954 -5.373 1.00 0.00 O ATOM 0 H SER A 75 12.736 4.735 -2.906 1.00 0.00 H new ATOM 0 HA SER A 75 10.982 6.771 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.428 5.704 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.932 4.898 -5.217 1.00 0.00 H new ATOM 0 HG SER A 75 11.179 6.932 -6.311 1.00 0.00 H new ATOM 1040 N ALA A 76 9.338 3.948 -3.381 1.00 0.00 N ATOM 1041 CA ALA A 76 8.031 3.320 -3.288 1.00 0.00 C ATOM 1042 C ALA A 76 7.454 3.561 -1.891 1.00 0.00 C ATOM 1043 O ALA A 76 6.327 4.035 -1.755 1.00 0.00 O ATOM 1044 CB ALA A 76 8.155 1.832 -3.619 1.00 0.00 C ATOM 0 H ALA A 76 10.090 3.326 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 76 7.342 3.758 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.175 1.361 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.542 1.715 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.837 1.358 -2.913 1.00 0.00 H new ATOM 1050 N VAL A 77 8.252 3.222 -0.889 1.00 0.00 N ATOM 1051 CA VAL A 77 7.834 3.395 0.491 1.00 0.00 C ATOM 1052 C VAL A 77 7.453 4.859 0.725 1.00 0.00 C ATOM 1053 O VAL A 77 6.361 5.150 1.211 1.00 0.00 O ATOM 1054 CB VAL A 77 8.933 2.906 1.436 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.548 3.147 2.897 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.250 1.429 1.190 1.00 0.00 C ATOM 0 H VAL A 77 9.186 2.828 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 77 6.951 2.791 0.700 1.00 0.00 H new ATOM 0 HB VAL A 77 9.834 3.482 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.347 2.790 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.395 4.214 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.628 2.609 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.034 1.106 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.354 0.832 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.588 1.296 0.162 1.00 0.00 H new ATOM 1066 N LYS A 78 8.375 5.741 0.367 1.00 0.00 N ATOM 1067 CA LYS A 78 8.149 7.167 0.532 1.00 0.00 C ATOM 1068 C LYS A 78 6.733 7.512 0.068 1.00 0.00 C ATOM 1069 O LYS A 78 6.028 8.275 0.728 1.00 0.00 O ATOM 1070 CB LYS A 78 9.241 7.968 -0.180 1.00 0.00 C ATOM 1071 CG LYS A 78 9.948 8.915 0.791 1.00 0.00 C ATOM 1072 CD LYS A 78 10.497 10.142 0.059 1.00 0.00 C ATOM 1073 CE LYS A 78 11.100 11.144 1.045 1.00 0.00 C ATOM 1074 NZ LYS A 78 11.328 12.449 0.383 1.00 0.00 N ATOM 0 H LYS A 78 9.279 5.496 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 78 8.216 7.444 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.967 7.286 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.803 8.540 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.252 9.232 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.763 8.389 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.256 9.832 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.698 10.620 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.431 11.273 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.042 10.758 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.738 13.118 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.983 12.324 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.423 12.823 0.032 1.00 0.00 H new ATOM 1088 N VAL A 79 6.357 6.933 -1.063 1.00 0.00 N ATOM 1089 CA VAL A 79 5.037 7.170 -1.622 1.00 0.00 C ATOM 1090 C VAL A 79 3.987 6.479 -0.750 1.00 0.00 C ATOM 1091 O VAL A 79 2.904 7.020 -0.531 1.00 0.00 O ATOM 1092 CB VAL A 79 4.997 6.711 -3.081 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.627 6.984 -3.705 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.111 7.374 -3.895 1.00 0.00 C ATOM 0 H VAL A 79 6.943 6.300 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 79 4.809 8.236 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 79 5.164 5.634 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.626 6.648 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.860 6.445 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.418 8.053 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.060 7.031 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.988 8.457 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.079 7.107 -3.471 1.00 0.00 H new ATOM 1104 N LEU A 80 4.344 5.295 -0.275 1.00 0.00 N ATOM 1105 CA LEU A 80 3.446 4.525 0.569 1.00 0.00 C ATOM 1106 C LEU A 80 3.297 5.226 1.920 1.00 0.00 C ATOM 1107 O LEU A 80 2.357 4.952 2.665 1.00 0.00 O ATOM 1108 CB LEU A 80 3.924 3.075 0.677 1.00 0.00 C ATOM 1109 CG LEU A 80 3.743 2.215 -0.575 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.548 0.918 -0.470 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.261 1.949 -0.849 1.00 0.00 C ATOM 0 H LEU A 80 5.243 4.850 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 80 2.452 4.476 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.982 3.081 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.393 2.598 1.501 1.00 0.00 H new ATOM 0 HG LEU A 80 4.134 2.769 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.402 0.325 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.606 1.155 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.210 0.349 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.161 1.336 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.822 1.426 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.743 2.896 -0.998 1.00 0.00 H new ATOM 1123 N THR A 81 4.239 6.116 2.196 1.00 0.00 N ATOM 1124 CA THR A 81 4.224 6.858 3.446 1.00 0.00 C ATOM 1125 C THR A 81 3.664 8.265 3.224 1.00 0.00 C ATOM 1126 O THR A 81 3.651 9.083 4.142 1.00 0.00 O ATOM 1127 CB THR A 81 5.644 6.852 4.016 1.00 0.00 C ATOM 1128 OG1 THR A 81 6.467 7.188 2.902 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.109 5.450 4.413 1.00 0.00 C ATOM 0 H THR A 81 5.017 6.340 1.576 1.00 0.00 H new ATOM 0 HA THR A 81 3.563 6.391 4.176 1.00 0.00 H new ATOM 0 HB THR A 81 5.689 7.509 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.025 7.879 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.122 5.502 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.440 5.047 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.096 4.801 3.537 1.00 0.00 H new ATOM 1137 N SER A 82 3.216 8.502 2.000 1.00 0.00 N ATOM 1138 CA SER A 82 2.656 9.796 1.646 1.00 0.00 C ATOM 1139 C SER A 82 1.393 9.606 0.804 1.00 0.00 C ATOM 1140 O SER A 82 1.468 9.499 -0.419 1.00 0.00 O ATOM 1141 CB SER A 82 3.676 10.648 0.889 1.00 0.00 C ATOM 1142 OG SER A 82 3.636 12.014 1.293 1.00 0.00 O ATOM 0 H SER A 82 3.229 7.821 1.241 1.00 0.00 H new ATOM 0 HA SER A 82 2.396 10.320 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.677 10.250 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.481 10.581 -0.181 1.00 0.00 H new ATOM 0 HG SER A 82 4.303 12.524 0.788 1.00 0.00 H new ATOM 1148 N SER A 83 0.261 9.571 1.492 1.00 0.00 N ATOM 1149 CA SER A 83 -1.017 9.397 0.823 1.00 0.00 C ATOM 1150 C SER A 83 -2.064 8.892 1.818 1.00 0.00 C ATOM 1151 O SER A 83 -1.814 7.943 2.559 1.00 0.00 O ATOM 1152 CB SER A 83 -0.894 8.428 -0.355 1.00 0.00 C ATOM 1153 OG SER A 83 -0.710 9.113 -1.592 1.00 0.00 O ATOM 0 H SER A 83 0.202 9.660 2.506 1.00 0.00 H new ATOM 0 HA SER A 83 -1.333 10.364 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.054 7.755 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.791 7.811 -0.412 1.00 0.00 H new ATOM 0 HG SER A 83 0.176 9.531 -1.606 1.00 0.00 H new ATOM 1159 N SER A 84 -3.214 9.549 1.801 1.00 0.00 N ATOM 1160 CA SER A 84 -4.300 9.179 2.693 1.00 0.00 C ATOM 1161 C SER A 84 -5.168 8.100 2.041 1.00 0.00 C ATOM 1162 O SER A 84 -6.209 7.727 2.579 1.00 0.00 O ATOM 1163 CB SER A 84 -5.152 10.396 3.058 1.00 0.00 C ATOM 1164 OG SER A 84 -5.988 10.144 4.185 1.00 0.00 O ATOM 0 H SER A 84 -3.418 10.335 1.184 1.00 0.00 H new ATOM 0 HA SER A 84 -3.868 8.783 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.501 11.243 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.769 10.676 2.204 1.00 0.00 H new ATOM 0 HG SER A 84 -6.464 9.297 4.056 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.707 7.631 0.891 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.428 6.603 0.160 1.00 0.00 C ATOM 1172 C ARG A 85 -4.554 6.036 -0.961 1.00 0.00 C ATOM 1173 O ARG A 85 -4.549 6.560 -2.074 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.720 7.159 -0.442 1.00 0.00 C ATOM 1175 CG ARG A 85 -6.440 8.399 -1.293 1.00 0.00 C ATOM 1176 CD ARG A 85 -7.030 9.653 -0.645 1.00 0.00 C ATOM 1177 NE ARG A 85 -6.132 10.809 -0.868 1.00 0.00 N ATOM 1178 CZ ARG A 85 -6.237 11.977 -0.222 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -7.201 12.153 0.692 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -5.378 12.970 -0.489 1.00 0.00 N ATOM 0 H ARG A 85 -3.843 7.944 0.448 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.680 5.811 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.199 6.394 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.418 7.412 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.364 8.522 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.865 8.265 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.014 9.860 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.167 9.490 0.424 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.387 10.709 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.855 11.397 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.281 13.043 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.644 12.836 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.458 13.860 0.003 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.836 4.973 -0.628 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.961 4.330 -1.593 1.00 0.00 C ATOM 1196 C LEU A 86 -3.758 3.296 -2.389 1.00 0.00 C ATOM 1197 O LEU A 86 -4.625 2.617 -1.839 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.728 3.752 -0.895 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.678 4.767 -0.437 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.139 4.220 0.735 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.212 5.199 -1.604 1.00 0.00 C ATOM 0 H LEU A 86 -3.843 4.541 0.296 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.582 5.059 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.060 3.185 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.250 3.045 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.196 5.657 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.878 4.961 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.525 4.003 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.647 3.306 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.949 5.920 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.723 4.328 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.402 5.657 -2.380 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.437 3.207 -3.672 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.113 2.267 -4.549 1.00 0.00 C ATOM 1215 C HIS A 87 -3.084 1.340 -5.198 1.00 0.00 C ATOM 1216 O HIS A 87 -2.565 1.638 -6.273 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.976 3.005 -5.575 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.437 2.623 -5.537 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.457 3.547 -5.678 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.036 1.408 -5.375 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.615 2.906 -5.601 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.352 1.581 -5.412 1.00 0.00 N ATOM 0 H HIS A 87 -2.718 3.771 -4.125 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.794 1.646 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.887 4.078 -5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.585 2.807 -6.573 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.526 0.465 -5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.595 3.354 -5.675 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.051 0.845 -5.315 1.00 0.00 H new ATOM 1230 N MET A 88 -2.820 0.234 -4.518 1.00 0.00 N ATOM 1231 CA MET A 88 -1.862 -0.739 -5.015 1.00 0.00 C ATOM 1232 C MET A 88 -2.551 -1.792 -5.885 1.00 0.00 C ATOM 1233 O MET A 88 -3.707 -2.138 -5.648 1.00 0.00 O ATOM 1234 CB MET A 88 -1.171 -1.425 -3.834 1.00 0.00 C ATOM 1235 CG MET A 88 -0.651 -0.395 -2.830 1.00 0.00 C ATOM 1236 SD MET A 88 0.104 -1.223 -1.441 1.00 0.00 S ATOM 1237 CE MET A 88 -1.127 -0.908 -0.186 1.00 0.00 C ATOM 0 H MET A 88 -3.253 -0.010 -3.627 1.00 0.00 H new ATOM 0 HA MET A 88 -1.125 -0.216 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.871 -2.099 -3.340 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.343 -2.035 -4.196 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.075 0.260 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.471 0.236 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.636 -0.750 0.774 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.698 -0.019 -0.452 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.799 -1.763 -0.113 1.00 0.00 H new ATOM 1247 N MET A 89 -1.811 -2.272 -6.874 1.00 0.00 N ATOM 1248 CA MET A 89 -2.336 -3.279 -7.781 1.00 0.00 C ATOM 1249 C MET A 89 -1.364 -4.452 -7.920 1.00 0.00 C ATOM 1250 O MET A 89 -0.254 -4.286 -8.422 1.00 0.00 O ATOM 1251 CB MET A 89 -2.580 -2.651 -9.155 1.00 0.00 C ATOM 1252 CG MET A 89 -3.324 -1.320 -9.026 1.00 0.00 C ATOM 1253 SD MET A 89 -4.953 -1.460 -9.742 1.00 0.00 S ATOM 1254 CE MET A 89 -5.747 -2.478 -8.510 1.00 0.00 C ATOM 0 H MET A 89 -0.852 -1.982 -7.067 1.00 0.00 H new ATOM 0 HA MET A 89 -3.274 -3.656 -7.373 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.627 -2.492 -9.660 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.158 -3.336 -9.774 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.402 -1.038 -7.976 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.764 -0.531 -9.527 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.810 -2.561 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.297 -3.471 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.620 -2.025 -7.527 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.818 -5.612 -7.467 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.002 -6.812 -7.535 1.00 0.00 C ATOM 1266 C VAL A 90 -1.479 -7.682 -8.700 1.00 0.00 C ATOM 1267 O VAL A 90 -2.616 -7.554 -9.150 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.033 -7.542 -6.191 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.505 -6.647 -5.068 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.442 -8.046 -5.873 1.00 0.00 C ATOM 0 H VAL A 90 -2.740 -5.746 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 90 0.040 -6.556 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.376 -8.408 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.538 -7.190 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.524 -6.359 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.124 -5.753 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.436 -8.561 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.129 -7.201 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.766 -8.736 -6.652 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.586 -8.549 -9.153 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.901 -9.441 -10.257 1.00 0.00 C ATOM 1282 C ARG A 91 -0.842 -10.898 -9.795 1.00 0.00 C ATOM 1283 O ARG A 91 0.241 -11.457 -9.629 1.00 0.00 O ATOM 1284 CB ARG A 91 0.071 -9.242 -11.421 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.413 -8.132 -12.356 1.00 0.00 C ATOM 1286 CD ARG A 91 0.334 -8.176 -13.691 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.356 -7.324 -14.685 1.00 0.00 N ATOM 1288 CZ ARG A 91 -0.260 -5.988 -14.726 1.00 0.00 C ATOM 1289 NH1 ARG A 91 0.497 -5.343 -13.828 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.922 -5.297 -15.664 1.00 0.00 N ATOM 0 H ARG A 91 0.356 -8.653 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.909 -9.205 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.059 -8.992 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.172 -10.173 -11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.484 -8.239 -12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.263 -7.162 -11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.360 -7.833 -13.555 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.387 -9.202 -14.054 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.942 -7.783 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.000 -5.869 -13.113 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.570 -4.326 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.499 -5.788 -16.347 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.849 -4.280 -15.695 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.021 -11.472 -9.601 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.117 -12.854 -9.161 1.00 0.00 C ATOM 1306 C ARG A 92 -2.804 -13.704 -10.231 1.00 0.00 C ATOM 1307 O ARG A 92 -3.775 -13.267 -10.848 1.00 0.00 O ATOM 1308 CB ARG A 92 -2.901 -12.962 -7.852 1.00 0.00 C ATOM 1309 CG ARG A 92 -2.563 -14.260 -7.116 1.00 0.00 C ATOM 1310 CD ARG A 92 -3.082 -14.226 -5.677 1.00 0.00 C ATOM 1311 NE ARG A 92 -3.074 -15.590 -5.104 1.00 0.00 N ATOM 1312 CZ ARG A 92 -3.977 -16.535 -5.400 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -4.965 -16.270 -6.265 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -3.891 -17.745 -4.832 1.00 0.00 N ATOM 0 H ARG A 92 -2.917 -11.005 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.104 -13.221 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.671 -12.108 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.970 -12.926 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.001 -15.107 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.483 -14.410 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.460 -13.565 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.093 -13.820 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.335 -15.826 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.030 -15.349 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.652 -16.989 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.138 -17.947 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.578 -18.464 -5.057 1.00 0.00 H new