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 Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.37 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.332) USER MOD Single : A 47 SER OG : rot 178:sc= 0.502 USER MOD Single : A 48 SER OG : rot 94:sc= 0.225 USER MOD Single : A 55 CYS SG : rot 33:sc= 0.0839 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -73:sc= 0.849 USER MOD Single : A 64 ASN : amide:sc= -6.75! C(o=-6.8!,f=-7.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 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= 0.065 USER MOD Single : A 73 MET CE :methyl -143:sc= -7.55! (180deg=-12.3!) 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 35:sc= 0.108 USER MOD Single : A 82 SER OG : rot 51:sc= 0.716 USER MOD Single : A 83 SER OG : rot 180:sc= 0.147 USER MOD Single : A 84 SER OG : rot -44:sc= 0.0865 USER MOD Single : A 87 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-1.5) USER MOD Single : A 88 MET CE :methyl -127:sc= -3.11 (180deg=-4.93!) USER MOD Single : A 89 MET CE :methyl -117:sc= -1.46 (180deg=-2.74!) USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -5.122 -11.279 -13.255 1.00 0.00 N ATOM 90 CA ILE A 10 -5.998 -10.135 -13.069 1.00 0.00 C ATOM 91 C ILE A 10 -5.395 -9.201 -12.017 1.00 0.00 C ATOM 92 O ILE A 10 -4.602 -9.632 -11.181 1.00 0.00 O ATOM 93 CB ILE A 10 -7.419 -10.596 -12.739 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.960 -11.526 -13.826 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.341 -9.400 -12.497 1.00 0.00 C ATOM 96 CD1 ILE A 10 -9.465 -11.327 -14.019 1.00 0.00 C ATOM 0 HA ILE A 10 -6.079 -9.564 -13.994 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.386 -11.169 -11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.441 -11.334 -14.765 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.758 -12.563 -13.556 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.345 -9.756 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.962 -8.812 -11.661 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.374 -8.779 -13.392 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.824 -12.000 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.983 -11.543 -13.085 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.661 -10.296 -14.312 1.00 0.00 H new ATOM 108 N ILE A 11 -5.793 -7.940 -12.094 1.00 0.00 N ATOM 109 CA ILE A 11 -5.301 -6.942 -11.159 1.00 0.00 C ATOM 110 C ILE A 11 -6.257 -6.850 -9.968 1.00 0.00 C ATOM 111 O ILE A 11 -7.468 -7.002 -10.126 1.00 0.00 O ATOM 112 CB ILE A 11 -5.075 -5.607 -11.870 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.805 -5.648 -12.723 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.056 -4.449 -10.871 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.570 -5.313 -11.885 1.00 0.00 C ATOM 0 H ILE A 11 -6.450 -7.586 -12.789 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.328 -7.236 -10.766 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.912 -5.435 -12.546 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.691 -6.638 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.893 -4.940 -13.547 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.894 -3.512 -11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.010 -4.407 -10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.251 -4.602 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.682 -5.349 -12.516 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.676 -4.313 -11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.471 -6.038 -11.077 1.00 0.00 H new ATOM 127 N HIS A 12 -5.678 -6.602 -8.803 1.00 0.00 N ATOM 128 CA HIS A 12 -6.464 -6.487 -7.586 1.00 0.00 C ATOM 129 C HIS A 12 -6.428 -5.042 -7.085 1.00 0.00 C ATOM 130 O HIS A 12 -5.452 -4.328 -7.309 1.00 0.00 O ATOM 131 CB HIS A 12 -5.986 -7.491 -6.534 1.00 0.00 C ATOM 132 CG HIS A 12 -6.441 -8.909 -6.787 1.00 0.00 C ATOM 133 ND1 HIS A 12 -7.122 -9.657 -5.843 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.305 -9.705 -7.886 1.00 0.00 C ATOM 135 CE1 HIS A 12 -7.379 -10.850 -6.361 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.872 -10.877 -7.627 1.00 0.00 N ATOM 0 H HIS A 12 -4.674 -6.477 -8.676 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.504 -6.736 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.897 -7.471 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.345 -7.174 -5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.819 -9.429 -8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.898 -11.658 -5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.921 -11.668 -8.269 1.00 0.00 H new ATOM 144 N SER A 13 -7.505 -4.654 -6.418 1.00 0.00 N ATOM 145 CA SER A 13 -7.609 -3.307 -5.884 1.00 0.00 C ATOM 146 C SER A 13 -7.598 -3.348 -4.354 1.00 0.00 C ATOM 147 O SER A 13 -8.299 -4.156 -3.747 1.00 0.00 O ATOM 148 CB SER A 13 -8.875 -2.611 -6.387 1.00 0.00 C ATOM 149 OG SER A 13 -9.437 -3.276 -7.515 1.00 0.00 O ATOM 0 H SER A 13 -8.313 -5.249 -6.235 1.00 0.00 H new ATOM 0 HA SER A 13 -6.749 -2.734 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.611 -2.573 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.641 -1.580 -6.653 1.00 0.00 H new ATOM 0 HG SER A 13 -10.244 -2.802 -7.805 1.00 0.00 H new ATOM 155 N VAL A 14 -6.796 -2.466 -3.776 1.00 0.00 N ATOM 156 CA VAL A 14 -6.685 -2.392 -2.329 1.00 0.00 C ATOM 157 C VAL A 14 -6.463 -0.936 -1.913 1.00 0.00 C ATOM 158 O VAL A 14 -5.877 -0.156 -2.662 1.00 0.00 O ATOM 159 CB VAL A 14 -5.579 -3.329 -1.840 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.285 -3.108 -2.627 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.342 -3.161 -0.338 1.00 0.00 C ATOM 0 H VAL A 14 -6.217 -1.797 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.608 -2.728 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.907 -4.354 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.515 -3.787 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.465 -3.302 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.952 -2.078 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.551 -3.839 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.046 -2.133 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.260 -3.392 0.203 1.00 0.00 H new ATOM 171 N ARG A 15 -6.942 -0.615 -0.721 1.00 0.00 N ATOM 172 CA ARG A 15 -6.803 0.733 -0.196 1.00 0.00 C ATOM 173 C ARG A 15 -6.260 0.693 1.234 1.00 0.00 C ATOM 174 O ARG A 15 -6.988 0.363 2.169 1.00 0.00 O ATOM 175 CB ARG A 15 -8.145 1.468 -0.204 1.00 0.00 C ATOM 176 CG ARG A 15 -8.283 2.343 -1.452 1.00 0.00 C ATOM 177 CD ARG A 15 -9.435 3.338 -1.299 1.00 0.00 C ATOM 178 NE ARG A 15 -10.560 2.949 -2.177 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.741 3.580 -2.210 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.959 4.636 -1.413 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.706 3.157 -3.038 1.00 0.00 N ATOM 0 H ARG A 15 -7.427 -1.265 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.104 1.268 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.960 0.745 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.230 2.086 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.352 2.883 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.455 1.713 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.766 3.367 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.095 4.342 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.428 2.150 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.226 4.959 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.858 5.117 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.542 2.353 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.605 3.639 -3.062 1.00 0.00 H new ATOM 195 N VAL A 16 -4.985 1.033 1.358 1.00 0.00 N ATOM 196 CA VAL A 16 -4.336 1.040 2.658 1.00 0.00 C ATOM 197 C VAL A 16 -4.276 2.475 3.186 1.00 0.00 C ATOM 198 O VAL A 16 -3.658 3.341 2.569 1.00 0.00 O ATOM 199 CB VAL A 16 -2.959 0.382 2.559 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.130 0.653 3.816 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.087 -1.121 2.301 1.00 0.00 C ATOM 0 H VAL A 16 -4.385 1.305 0.580 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.911 0.454 3.375 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.437 0.825 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.156 0.174 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.995 1.728 3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.647 0.251 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.094 -1.565 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.638 -1.585 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.621 -1.285 1.365 1.00 0.00 H new ATOM 211 N GLU A 17 -4.928 2.682 4.321 1.00 0.00 N ATOM 212 CA GLU A 17 -4.956 3.997 4.938 1.00 0.00 C ATOM 213 C GLU A 17 -3.663 4.246 5.718 1.00 0.00 C ATOM 214 O GLU A 17 -2.916 3.311 6.002 1.00 0.00 O ATOM 215 CB GLU A 17 -6.180 4.152 5.843 1.00 0.00 C ATOM 216 CG GLU A 17 -5.987 3.400 7.161 1.00 0.00 C ATOM 217 CD GLU A 17 -7.326 3.176 7.866 1.00 0.00 C ATOM 218 OE1 GLU A 17 -8.164 4.100 7.798 1.00 0.00 O ATOM 219 OE2 GLU A 17 -7.481 2.085 8.457 1.00 0.00 O ATOM 0 H GLU A 17 -5.441 1.961 4.829 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.031 4.745 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.355 5.209 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.065 3.774 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.508 2.440 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.319 3.965 7.812 1.00 0.00 H new ATOM 314 N LEU A 24 4.231 1.697 6.641 1.00 0.00 N ATOM 315 CA LEU A 24 3.037 1.026 6.157 1.00 0.00 C ATOM 316 C LEU A 24 2.670 -0.107 7.117 1.00 0.00 C ATOM 317 O LEU A 24 3.495 -0.535 7.923 1.00 0.00 O ATOM 318 CB LEU A 24 3.228 0.568 4.710 1.00 0.00 C ATOM 319 CG LEU A 24 4.212 1.387 3.872 1.00 0.00 C ATOM 320 CD1 LEU A 24 4.050 1.080 2.381 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.072 2.882 4.167 1.00 0.00 C ATOM 0 HA LEU A 24 2.193 1.716 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.564 -0.469 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.258 0.584 4.214 1.00 0.00 H new ATOM 0 HG LEU A 24 5.224 1.097 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.761 1.675 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.238 0.021 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.035 1.325 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.783 3.441 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.058 3.206 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.275 3.065 5.222 1.00 0.00 H new ATOM 333 N GLY A 25 1.431 -0.561 7.000 1.00 0.00 N ATOM 334 CA GLY A 25 0.944 -1.636 7.848 1.00 0.00 C ATOM 335 C GLY A 25 1.415 -2.997 7.331 1.00 0.00 C ATOM 336 O GLY A 25 1.006 -4.037 7.847 1.00 0.00 O ATOM 0 H GLY A 25 0.749 -0.204 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.298 -1.488 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.145 -1.613 7.882 1.00 0.00 H new ATOM 340 N PHE A 26 2.267 -2.948 6.318 1.00 0.00 N ATOM 341 CA PHE A 26 2.798 -4.164 5.726 1.00 0.00 C ATOM 342 C PHE A 26 4.292 -4.023 5.431 1.00 0.00 C ATOM 343 O PHE A 26 4.805 -2.911 5.319 1.00 0.00 O ATOM 344 CB PHE A 26 2.049 -4.384 4.410 1.00 0.00 C ATOM 345 CG PHE A 26 2.138 -3.206 3.438 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.390 -2.090 3.652 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.966 -3.274 2.361 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.474 -0.996 2.750 1.00 0.00 C ATOM 349 CE2 PHE A 26 3.049 -2.180 1.459 1.00 0.00 C ATOM 350 CZ PHE A 26 2.301 -1.064 1.673 1.00 0.00 C ATOM 0 H PHE A 26 2.603 -2.084 5.892 1.00 0.00 H new ATOM 0 HA PHE A 26 2.668 -5.000 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.446 -5.274 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.000 -4.582 4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.733 -2.036 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.560 -4.160 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.881 -0.110 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.706 -2.234 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.364 -0.232 0.987 1.00 0.00 H new ATOM 360 N SER A 27 4.950 -5.168 5.313 1.00 0.00 N ATOM 361 CA SER A 27 6.375 -5.186 5.033 1.00 0.00 C ATOM 362 C SER A 27 6.621 -5.667 3.602 1.00 0.00 C ATOM 363 O SER A 27 6.104 -6.706 3.194 1.00 0.00 O ATOM 364 CB SER A 27 7.120 -6.079 6.028 1.00 0.00 C ATOM 365 OG SER A 27 8.320 -5.469 6.498 1.00 0.00 O ATOM 0 H SER A 27 4.522 -6.089 5.406 1.00 0.00 H new ATOM 0 HA SER A 27 6.757 -4.171 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.470 -6.300 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.359 -7.031 5.553 1.00 0.00 H new ATOM 0 HG SER A 27 8.765 -6.069 7.132 1.00 0.00 H new ATOM 371 N VAL A 28 7.412 -4.888 2.878 1.00 0.00 N ATOM 372 CA VAL A 28 7.733 -5.222 1.500 1.00 0.00 C ATOM 373 C VAL A 28 9.193 -5.671 1.416 1.00 0.00 C ATOM 374 O VAL A 28 10.014 -5.287 2.248 1.00 0.00 O ATOM 375 CB VAL A 28 7.420 -4.034 0.588 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.914 -3.770 0.530 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.179 -2.783 1.035 1.00 0.00 C ATOM 0 H VAL A 28 7.840 -4.027 3.219 1.00 0.00 H new ATOM 0 HA VAL A 28 7.117 -6.052 1.154 1.00 0.00 H new ATOM 0 HB VAL A 28 7.755 -4.287 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.718 -2.921 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.405 -4.652 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.545 -3.549 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.938 -1.954 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.889 -2.526 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.251 -2.976 1.000 1.00 0.00 H new ATOM 387 N ARG A 29 9.472 -6.479 0.404 1.00 0.00 N ATOM 388 CA ARG A 29 10.819 -6.986 0.200 1.00 0.00 C ATOM 389 C ARG A 29 11.299 -6.662 -1.216 1.00 0.00 C ATOM 390 O ARG A 29 10.505 -6.270 -2.070 1.00 0.00 O ATOM 391 CB ARG A 29 10.877 -8.499 0.417 1.00 0.00 C ATOM 392 CG ARG A 29 10.030 -9.235 -0.623 1.00 0.00 C ATOM 393 CD ARG A 29 10.372 -10.726 -0.652 1.00 0.00 C ATOM 394 NE ARG A 29 11.549 -10.959 -1.518 1.00 0.00 N ATOM 395 CZ ARG A 29 12.265 -12.091 -1.524 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.929 -13.101 -0.710 1.00 0.00 N ATOM 397 NH2 ARG A 29 13.318 -12.214 -2.344 1.00 0.00 N ATOM 0 H ARG A 29 8.788 -6.795 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 29 11.469 -6.501 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.911 -8.839 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.520 -8.740 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.972 -9.105 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.198 -8.800 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.578 -11.080 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.520 -11.296 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 29 11.833 -10.211 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.128 -13.008 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.474 -13.963 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.574 -11.445 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.863 -13.076 -2.348 1.00 0.00 H new ATOM 411 N GLY A 30 12.596 -6.838 -1.422 1.00 0.00 N ATOM 412 CA GLY A 30 13.191 -6.569 -2.720 1.00 0.00 C ATOM 413 C GLY A 30 13.787 -5.161 -2.769 1.00 0.00 C ATOM 414 O GLY A 30 14.217 -4.629 -1.747 1.00 0.00 O ATOM 0 H GLY A 30 13.252 -7.164 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.969 -7.304 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.436 -6.676 -3.499 1.00 0.00 H new ATOM 494 N GLY A 37 9.937 -5.682 -9.091 1.00 0.00 N ATOM 495 CA GLY A 37 9.215 -4.565 -8.505 1.00 0.00 C ATOM 496 C GLY A 37 9.139 -4.699 -6.983 1.00 0.00 C ATOM 497 O GLY A 37 10.114 -5.086 -6.341 1.00 0.00 O ATOM 0 HA2 GLY A 37 9.710 -3.630 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.208 -4.520 -8.920 1.00 0.00 H new ATOM 501 N ILE A 38 7.970 -4.372 -6.450 1.00 0.00 N ATOM 502 CA ILE A 38 7.754 -4.451 -5.015 1.00 0.00 C ATOM 503 C ILE A 38 6.835 -5.635 -4.707 1.00 0.00 C ATOM 504 O ILE A 38 5.843 -5.853 -5.401 1.00 0.00 O ATOM 505 CB ILE A 38 7.238 -3.115 -4.477 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.278 -2.009 -4.667 1.00 0.00 C ATOM 507 CG2 ILE A 38 6.800 -3.245 -3.017 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.588 -2.360 -3.958 1.00 0.00 C ATOM 0 H ILE A 38 7.163 -4.052 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 38 8.695 -4.634 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 38 6.358 -2.831 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.465 -1.859 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.889 -1.069 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.437 -2.282 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.002 -3.984 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.648 -3.562 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.310 -1.557 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.402 -2.485 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.986 -3.288 -4.368 1.00 0.00 H new ATOM 520 N PHE A 39 7.198 -6.369 -3.665 1.00 0.00 N ATOM 521 CA PHE A 39 6.418 -7.525 -3.256 1.00 0.00 C ATOM 522 C PHE A 39 6.187 -7.523 -1.744 1.00 0.00 C ATOM 523 O PHE A 39 7.066 -7.131 -0.978 1.00 0.00 O ATOM 524 CB PHE A 39 7.227 -8.767 -3.635 1.00 0.00 C ATOM 525 CG PHE A 39 7.525 -8.883 -5.131 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.330 -7.970 -5.737 1.00 0.00 C ATOM 527 CD2 PHE A 39 6.984 -9.900 -5.854 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.606 -8.079 -7.126 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.261 -10.009 -7.243 1.00 0.00 C ATOM 530 CZ PHE A 39 8.066 -9.096 -7.850 1.00 0.00 C ATOM 0 H PHE A 39 8.022 -6.186 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 39 5.444 -7.509 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.169 -8.755 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.682 -9.655 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.759 -7.162 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.344 -10.624 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.245 -7.354 -7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.832 -10.817 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.276 -9.179 -8.906 1.00 0.00 H new ATOM 540 N VAL A 40 4.998 -7.965 -1.359 1.00 0.00 N ATOM 541 CA VAL A 40 4.640 -8.019 0.049 1.00 0.00 C ATOM 542 C VAL A 40 5.388 -9.175 0.717 1.00 0.00 C ATOM 543 O VAL A 40 5.652 -10.196 0.084 1.00 0.00 O ATOM 544 CB VAL A 40 3.121 -8.124 0.198 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.699 -7.933 1.656 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.410 -7.123 -0.714 1.00 0.00 C ATOM 0 H VAL A 40 4.271 -8.289 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 40 4.941 -7.102 0.556 1.00 0.00 H new ATOM 0 HB VAL A 40 2.823 -9.127 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.615 -8.012 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.165 -8.701 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.017 -6.949 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.331 -7.219 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.717 -6.110 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.674 -7.325 -1.752 1.00 0.00 H new ATOM 556 N SER A 41 5.708 -8.975 1.987 1.00 0.00 N ATOM 557 CA SER A 41 6.420 -9.987 2.747 1.00 0.00 C ATOM 558 C SER A 41 5.656 -10.310 4.033 1.00 0.00 C ATOM 559 O SER A 41 5.437 -11.477 4.353 1.00 0.00 O ATOM 560 CB SER A 41 7.843 -9.530 3.076 1.00 0.00 C ATOM 561 OG SER A 41 7.965 -9.098 4.429 1.00 0.00 O ATOM 0 H SER A 41 5.487 -8.127 2.509 1.00 0.00 H new ATOM 0 HA SER A 41 6.489 -10.887 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.538 -10.349 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.126 -8.716 2.408 1.00 0.00 H new ATOM 0 HG SER A 41 8.888 -8.816 4.600 1.00 0.00 H new ATOM 567 N LYS A 42 5.270 -9.255 4.735 1.00 0.00 N ATOM 568 CA LYS A 42 4.535 -9.411 5.978 1.00 0.00 C ATOM 569 C LYS A 42 3.448 -8.338 6.062 1.00 0.00 C ATOM 570 O LYS A 42 3.541 -7.303 5.402 1.00 0.00 O ATOM 571 CB LYS A 42 5.493 -9.410 7.171 1.00 0.00 C ATOM 572 CG LYS A 42 4.772 -9.829 8.454 1.00 0.00 C ATOM 573 CD LYS A 42 4.320 -8.605 9.253 1.00 0.00 C ATOM 574 CE LYS A 42 4.905 -8.627 10.667 1.00 0.00 C ATOM 575 NZ LYS A 42 4.438 -7.454 11.439 1.00 0.00 N ATOM 0 H LYS A 42 5.453 -8.288 4.466 1.00 0.00 H new ATOM 0 HA LYS A 42 4.032 -10.378 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.322 -10.091 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.920 -8.415 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.908 -10.445 8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.435 -10.442 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.633 -7.696 8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.232 -8.582 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.610 -9.545 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.994 -8.627 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.078 -7.290 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.431 -6.615 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.476 -7.632 11.793 1.00 0.00 H new ATOM 589 N VAL A 43 2.444 -8.620 6.878 1.00 0.00 N ATOM 590 CA VAL A 43 1.341 -7.691 7.056 1.00 0.00 C ATOM 591 C VAL A 43 0.938 -7.661 8.532 1.00 0.00 C ATOM 592 O VAL A 43 0.460 -8.660 9.069 1.00 0.00 O ATOM 593 CB VAL A 43 0.184 -8.068 6.129 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.066 -7.245 6.447 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.585 -7.911 4.661 1.00 0.00 C ATOM 0 H VAL A 43 2.371 -9.479 7.424 1.00 0.00 H new ATOM 0 HA VAL A 43 1.645 -6.681 6.781 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.054 -9.118 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.873 -7.533 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.370 -7.429 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.847 -6.185 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.255 -8.185 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.864 -6.875 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.433 -8.561 4.444 1.00 0.00 H new ATOM 605 N GLU A 44 1.146 -6.506 9.146 1.00 0.00 N ATOM 606 CA GLU A 44 0.810 -6.333 10.549 1.00 0.00 C ATOM 607 C GLU A 44 -0.524 -7.013 10.864 1.00 0.00 C ATOM 608 O GLU A 44 -1.400 -7.095 10.005 1.00 0.00 O ATOM 609 CB GLU A 44 0.772 -4.850 10.925 1.00 0.00 C ATOM 610 CG GLU A 44 1.634 -4.575 12.159 1.00 0.00 C ATOM 611 CD GLU A 44 0.913 -5.005 13.438 1.00 0.00 C ATOM 612 OE1 GLU A 44 0.178 -4.157 13.988 1.00 0.00 O ATOM 613 OE2 GLU A 44 1.115 -6.172 13.838 1.00 0.00 O ATOM 0 H GLU A 44 1.543 -5.680 8.698 1.00 0.00 H new ATOM 0 HA GLU A 44 1.587 -6.807 11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.127 -4.250 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.257 -4.547 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.580 -5.110 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.872 -3.513 12.211 1.00 0.00 H new ATOM 620 N GLU A 45 -0.636 -7.483 12.098 1.00 0.00 N ATOM 621 CA GLU A 45 -1.848 -8.153 12.536 1.00 0.00 C ATOM 622 C GLU A 45 -2.981 -7.140 12.712 1.00 0.00 C ATOM 623 O GLU A 45 -2.766 -6.049 13.239 1.00 0.00 O ATOM 624 CB GLU A 45 -1.605 -8.934 13.829 1.00 0.00 C ATOM 625 CG GLU A 45 -0.975 -10.297 13.536 1.00 0.00 C ATOM 626 CD GLU A 45 0.286 -10.510 14.377 1.00 0.00 C ATOM 627 OE1 GLU A 45 1.338 -9.974 13.968 1.00 0.00 O ATOM 628 OE2 GLU A 45 0.168 -11.204 15.410 1.00 0.00 O ATOM 0 H GLU A 45 0.093 -7.413 12.808 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.143 -8.868 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.951 -8.361 14.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.548 -9.071 14.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.695 -11.088 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.726 -10.367 12.477 1.00 0.00 H new ATOM 635 N GLY A 46 -4.162 -7.536 12.261 1.00 0.00 N ATOM 636 CA GLY A 46 -5.329 -6.676 12.363 1.00 0.00 C ATOM 637 C GLY A 46 -5.016 -5.266 11.858 1.00 0.00 C ATOM 638 O GLY A 46 -5.564 -4.287 12.361 1.00 0.00 O ATOM 0 H GLY A 46 -4.336 -8.441 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.149 -7.100 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.662 -6.629 13.400 1.00 0.00 H new ATOM 642 N SER A 47 -4.135 -5.207 10.870 1.00 0.00 N ATOM 643 CA SER A 47 -3.743 -3.934 10.291 1.00 0.00 C ATOM 644 C SER A 47 -4.754 -3.509 9.225 1.00 0.00 C ATOM 645 O SER A 47 -5.628 -4.289 8.847 1.00 0.00 O ATOM 646 CB SER A 47 -2.338 -4.011 9.689 1.00 0.00 C ATOM 647 OG SER A 47 -2.362 -3.930 8.267 1.00 0.00 O ATOM 0 H SER A 47 -3.681 -6.021 10.456 1.00 0.00 H new ATOM 0 HA SER A 47 -3.728 -3.188 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.728 -3.201 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.865 -4.945 9.991 1.00 0.00 H new ATOM 0 HG SER A 47 -1.444 -3.945 7.923 1.00 0.00 H new ATOM 653 N SER A 48 -4.603 -2.274 8.770 1.00 0.00 N ATOM 654 CA SER A 48 -5.493 -1.737 7.755 1.00 0.00 C ATOM 655 C SER A 48 -5.269 -2.461 6.426 1.00 0.00 C ATOM 656 O SER A 48 -6.183 -2.564 5.609 1.00 0.00 O ATOM 657 CB SER A 48 -5.284 -0.231 7.580 1.00 0.00 C ATOM 658 OG SER A 48 -6.319 0.365 6.804 1.00 0.00 O ATOM 0 H SER A 48 -3.878 -1.630 9.086 1.00 0.00 H new ATOM 0 HA SER A 48 -6.520 -1.899 8.081 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.245 0.246 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.322 -0.052 7.100 1.00 0.00 H new ATOM 0 HG SER A 48 -7.011 0.720 7.400 1.00 0.00 H new ATOM 664 N ALA A 49 -4.048 -2.945 6.251 1.00 0.00 N ATOM 665 CA ALA A 49 -3.693 -3.657 5.035 1.00 0.00 C ATOM 666 C ALA A 49 -4.501 -4.954 4.954 1.00 0.00 C ATOM 667 O ALA A 49 -5.240 -5.170 3.994 1.00 0.00 O ATOM 668 CB ALA A 49 -2.184 -3.909 5.013 1.00 0.00 C ATOM 0 H ALA A 49 -3.292 -2.858 6.931 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.937 -3.060 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.918 -4.443 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.656 -2.956 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.902 -4.508 5.879 1.00 0.00 H new ATOM 674 N GLU A 50 -4.334 -5.783 5.974 1.00 0.00 N ATOM 675 CA GLU A 50 -5.038 -7.053 6.030 1.00 0.00 C ATOM 676 C GLU A 50 -6.533 -6.841 5.782 1.00 0.00 C ATOM 677 O GLU A 50 -7.208 -7.719 5.246 1.00 0.00 O ATOM 678 CB GLU A 50 -4.798 -7.754 7.368 1.00 0.00 C ATOM 679 CG GLU A 50 -4.335 -9.197 7.155 1.00 0.00 C ATOM 680 CD GLU A 50 -5.008 -10.142 8.152 1.00 0.00 C ATOM 681 OE1 GLU A 50 -5.244 -9.689 9.293 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.271 -11.297 7.751 1.00 0.00 O ATOM 0 H GLU A 50 -3.721 -5.600 6.769 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.647 -7.699 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.047 -7.208 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.715 -7.746 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.568 -9.511 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.252 -9.256 7.267 1.00 0.00 H new ATOM 689 N ARG A 51 -7.007 -5.671 6.184 1.00 0.00 N ATOM 690 CA ARG A 51 -8.410 -5.333 6.013 1.00 0.00 C ATOM 691 C ARG A 51 -8.647 -4.737 4.624 1.00 0.00 C ATOM 692 O ARG A 51 -9.682 -4.984 4.007 1.00 0.00 O ATOM 693 CB ARG A 51 -8.869 -4.332 7.075 1.00 0.00 C ATOM 694 CG ARG A 51 -8.968 -4.996 8.449 1.00 0.00 C ATOM 695 CD ARG A 51 -9.786 -4.138 9.416 1.00 0.00 C ATOM 696 NE ARG A 51 -11.213 -4.153 9.023 1.00 0.00 N ATOM 697 CZ ARG A 51 -12.185 -3.524 9.698 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.889 -2.825 10.802 1.00 0.00 N ATOM 699 NH2 ARG A 51 -13.452 -3.593 9.268 1.00 0.00 N ATOM 0 H ARG A 51 -6.444 -4.945 6.628 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.988 -6.251 6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.169 -3.498 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.839 -3.920 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.430 -5.978 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.968 -5.153 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.676 -4.516 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.410 -3.115 9.414 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.473 -4.675 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.924 -2.772 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.629 -2.346 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.677 -4.124 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.192 -3.114 9.782 1.00 0.00 H new ATOM 713 N ALA A 52 -7.670 -3.965 4.172 1.00 0.00 N ATOM 714 CA ALA A 52 -7.759 -3.332 2.867 1.00 0.00 C ATOM 715 C ALA A 52 -7.794 -4.411 1.783 1.00 0.00 C ATOM 716 O ALA A 52 -8.280 -4.171 0.679 1.00 0.00 O ATOM 717 CB ALA A 52 -6.587 -2.364 2.688 1.00 0.00 C ATOM 0 H ALA A 52 -6.812 -3.763 4.686 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.678 -2.751 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.654 -1.889 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.624 -1.600 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.648 -2.912 2.762 1.00 0.00 H new ATOM 723 N GLY A 53 -7.273 -5.577 2.136 1.00 0.00 N ATOM 724 CA GLY A 53 -7.240 -6.694 1.207 1.00 0.00 C ATOM 725 C GLY A 53 -5.812 -7.212 1.025 1.00 0.00 C ATOM 726 O GLY A 53 -5.606 -8.302 0.493 1.00 0.00 O ATOM 0 H GLY A 53 -6.870 -5.772 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.878 -7.497 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.644 -6.383 0.244 1.00 0.00 H new ATOM 730 N LEU A 54 -4.861 -6.407 1.477 1.00 0.00 N ATOM 731 CA LEU A 54 -3.459 -6.771 1.370 1.00 0.00 C ATOM 732 C LEU A 54 -3.200 -8.033 2.194 1.00 0.00 C ATOM 733 O LEU A 54 -3.765 -8.201 3.274 1.00 0.00 O ATOM 734 CB LEU A 54 -2.568 -5.589 1.758 1.00 0.00 C ATOM 735 CG LEU A 54 -1.103 -5.684 1.328 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.985 -5.812 -0.192 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.295 -4.502 1.868 1.00 0.00 C ATOM 0 H LEU A 54 -5.035 -5.504 1.918 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.204 -7.007 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.994 -4.682 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.601 -5.475 2.841 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.678 -6.589 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.067 -5.878 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.505 -6.711 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.432 -4.939 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.743 -4.594 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.712 -3.571 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.340 -4.498 2.957 1.00 0.00 H new ATOM 749 N CYS A 55 -2.345 -8.889 1.654 1.00 0.00 N ATOM 750 CA CYS A 55 -2.004 -10.132 2.326 1.00 0.00 C ATOM 751 C CYS A 55 -0.552 -10.477 1.989 1.00 0.00 C ATOM 752 O CYS A 55 0.080 -9.799 1.181 1.00 0.00 O ATOM 753 CB CYS A 55 -2.963 -11.262 1.946 1.00 0.00 C ATOM 754 SG CYS A 55 -4.268 -11.430 3.217 1.00 0.00 S ATOM 0 H CYS A 55 -1.878 -8.746 0.758 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.105 -10.006 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.414 -11.056 0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.414 -12.199 1.850 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.537 -10.262 3.720 1.00 0.00 H new ATOM 760 N VAL A 56 -0.066 -11.533 2.626 1.00 0.00 N ATOM 761 CA VAL A 56 1.300 -11.976 2.404 1.00 0.00 C ATOM 762 C VAL A 56 1.361 -12.799 1.116 1.00 0.00 C ATOM 763 O VAL A 56 0.477 -13.613 0.852 1.00 0.00 O ATOM 764 CB VAL A 56 1.806 -12.743 3.628 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.939 -13.698 3.246 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.248 -11.781 4.733 1.00 0.00 C ATOM 0 H VAL A 56 -0.593 -12.094 3.295 1.00 0.00 H new ATOM 0 HA VAL A 56 1.963 -11.121 2.275 1.00 0.00 H new ATOM 0 HB VAL A 56 0.980 -13.341 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.281 -14.231 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.577 -14.415 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.767 -13.129 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.603 -12.351 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.052 -11.145 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.404 -11.160 5.034 1.00 0.00 H new ATOM 776 N GLY A 57 2.413 -12.559 0.348 1.00 0.00 N ATOM 777 CA GLY A 57 2.602 -13.268 -0.907 1.00 0.00 C ATOM 778 C GLY A 57 2.273 -12.368 -2.100 1.00 0.00 C ATOM 779 O GLY A 57 2.830 -12.538 -3.183 1.00 0.00 O ATOM 0 H GLY A 57 3.144 -11.883 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.633 -13.614 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.966 -14.153 -0.928 1.00 0.00 H new ATOM 783 N ASP A 58 1.369 -11.429 -1.861 1.00 0.00 N ATOM 784 CA ASP A 58 0.959 -10.502 -2.902 1.00 0.00 C ATOM 785 C ASP A 58 2.200 -9.847 -3.512 1.00 0.00 C ATOM 786 O ASP A 58 3.251 -9.786 -2.876 1.00 0.00 O ATOM 787 CB ASP A 58 0.070 -9.394 -2.334 1.00 0.00 C ATOM 788 CG ASP A 58 -1.381 -9.800 -2.071 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.814 -10.793 -2.695 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.025 -9.108 -1.253 1.00 0.00 O ATOM 0 H ASP A 58 0.909 -11.290 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 58 0.401 -11.062 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.508 -9.041 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.076 -8.553 -3.027 1.00 0.00 H new ATOM 795 N LYS A 59 2.037 -9.373 -4.739 1.00 0.00 N ATOM 796 CA LYS A 59 3.131 -8.725 -5.442 1.00 0.00 C ATOM 797 C LYS A 59 2.644 -7.391 -6.013 1.00 0.00 C ATOM 798 O LYS A 59 1.954 -7.362 -7.031 1.00 0.00 O ATOM 799 CB LYS A 59 3.723 -9.665 -6.494 1.00 0.00 C ATOM 800 CG LYS A 59 4.493 -8.880 -7.559 1.00 0.00 C ATOM 801 CD LYS A 59 4.855 -9.777 -8.744 1.00 0.00 C ATOM 802 CE LYS A 59 3.840 -9.623 -9.878 1.00 0.00 C ATOM 803 NZ LYS A 59 3.054 -10.866 -10.043 1.00 0.00 N ATOM 0 H LYS A 59 1.164 -9.425 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 59 3.946 -8.500 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.389 -10.382 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.925 -10.238 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.890 -8.040 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.401 -8.463 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.851 -9.523 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.889 -10.817 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.172 -8.789 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.358 -9.387 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.370 -10.744 -10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.694 -11.654 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.545 -11.074 -9.160 1.00 0.00 H new ATOM 817 N ILE A 60 3.024 -6.319 -5.334 1.00 0.00 N ATOM 818 CA ILE A 60 2.636 -4.986 -5.761 1.00 0.00 C ATOM 819 C ILE A 60 3.367 -4.637 -7.059 1.00 0.00 C ATOM 820 O ILE A 60 4.595 -4.567 -7.084 1.00 0.00 O ATOM 821 CB ILE A 60 2.865 -3.975 -4.636 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.004 -4.308 -3.415 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.632 -2.545 -5.128 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.789 -4.103 -2.118 1.00 0.00 C ATOM 0 H ILE A 60 3.597 -6.347 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 60 1.568 -4.952 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 60 3.907 -4.043 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.115 -3.677 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.662 -5.341 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.801 -1.846 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.322 -2.323 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.607 -2.445 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.154 -4.347 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.664 -4.753 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.109 -3.063 -2.047 1.00 0.00 H new ATOM 836 N THR A 61 2.582 -4.428 -8.105 1.00 0.00 N ATOM 837 CA THR A 61 3.139 -4.089 -9.403 1.00 0.00 C ATOM 838 C THR A 61 3.013 -2.587 -9.662 1.00 0.00 C ATOM 839 O THR A 61 3.717 -2.037 -10.507 1.00 0.00 O ATOM 840 CB THR A 61 2.439 -4.948 -10.458 1.00 0.00 C ATOM 841 OG1 THR A 61 1.076 -4.538 -10.390 1.00 0.00 O ATOM 842 CG2 THR A 61 2.402 -6.429 -10.077 1.00 0.00 C ATOM 0 H THR A 61 1.564 -4.487 -8.080 1.00 0.00 H new ATOM 0 HA THR A 61 4.207 -4.306 -9.443 1.00 0.00 H new ATOM 0 HB THR A 61 2.947 -4.832 -11.415 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.671 -4.885 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.895 -6.993 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.420 -6.801 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.865 -6.549 -9.136 1.00 0.00 H new ATOM 850 N GLU A 62 2.110 -1.964 -8.918 1.00 0.00 N ATOM 851 CA GLU A 62 1.882 -0.536 -9.056 1.00 0.00 C ATOM 852 C GLU A 62 1.056 -0.014 -7.879 1.00 0.00 C ATOM 853 O GLU A 62 0.297 -0.765 -7.268 1.00 0.00 O ATOM 854 CB GLU A 62 1.201 -0.216 -10.388 1.00 0.00 C ATOM 855 CG GLU A 62 0.696 1.228 -10.413 1.00 0.00 C ATOM 856 CD GLU A 62 0.099 1.577 -11.777 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.615 1.035 -12.778 1.00 0.00 O ATOM 858 OE2 GLU A 62 -0.860 2.379 -11.789 1.00 0.00 O ATOM 0 H GLU A 62 1.528 -2.423 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 62 2.848 -0.031 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.903 -0.374 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.367 -0.899 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.056 1.367 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.517 1.908 -10.187 1.00 0.00 H new ATOM 865 N VAL A 63 1.232 1.268 -7.596 1.00 0.00 N ATOM 866 CA VAL A 63 0.512 1.899 -6.503 1.00 0.00 C ATOM 867 C VAL A 63 0.410 3.403 -6.766 1.00 0.00 C ATOM 868 O VAL A 63 1.416 4.060 -7.030 1.00 0.00 O ATOM 869 CB VAL A 63 1.189 1.569 -5.171 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.702 1.779 -5.259 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.586 2.392 -4.031 1.00 0.00 C ATOM 0 H VAL A 63 1.863 1.887 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.505 1.511 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 63 1.009 0.516 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.159 1.538 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.115 1.130 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.911 2.819 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.085 2.138 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.721 3.454 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.478 2.171 -3.946 1.00 0.00 H new ATOM 881 N ASN A 64 -0.813 3.905 -6.684 1.00 0.00 N ATOM 882 CA ASN A 64 -1.059 5.319 -6.910 1.00 0.00 C ATOM 883 C ASN A 64 -1.208 5.573 -8.411 1.00 0.00 C ATOM 884 O ASN A 64 -2.083 6.327 -8.833 1.00 0.00 O ATOM 885 CB ASN A 64 0.106 6.169 -6.399 1.00 0.00 C ATOM 886 CG ASN A 64 0.653 5.614 -5.083 1.00 0.00 C ATOM 887 OD1 ASN A 64 1.805 5.225 -4.974 1.00 0.00 O ATOM 888 ND2 ASN A 64 -0.233 5.600 -4.091 1.00 0.00 N ATOM 0 H ASN A 64 -1.645 3.357 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.968 5.593 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.899 6.192 -7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.225 7.197 -6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.036 5.249 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.181 5.940 -4.249 1.00 0.00 H new ATOM 895 N GLY A 65 -0.338 4.930 -9.177 1.00 0.00 N ATOM 896 CA GLY A 65 -0.362 5.077 -10.622 1.00 0.00 C ATOM 897 C GLY A 65 0.996 4.721 -11.231 1.00 0.00 C ATOM 898 O GLY A 65 1.061 4.117 -12.301 1.00 0.00 O ATOM 0 H GLY A 65 0.388 4.306 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.134 4.433 -11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.624 6.102 -10.883 1.00 0.00 H new ATOM 902 N LEU A 66 2.046 5.110 -10.524 1.00 0.00 N ATOM 903 CA LEU A 66 3.399 4.840 -10.982 1.00 0.00 C ATOM 904 C LEU A 66 3.694 3.346 -10.832 1.00 0.00 C ATOM 905 O LEU A 66 3.490 2.773 -9.763 1.00 0.00 O ATOM 906 CB LEU A 66 4.400 5.740 -10.257 1.00 0.00 C ATOM 907 CG LEU A 66 4.415 7.209 -10.686 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.449 7.446 -11.789 1.00 0.00 C ATOM 909 CD2 LEU A 66 3.018 7.673 -11.101 1.00 0.00 C ATOM 0 H LEU A 66 1.988 5.610 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 66 3.498 5.081 -12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.190 5.696 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.399 5.329 -10.402 1.00 0.00 H new ATOM 0 HG LEU A 66 4.713 7.813 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.440 8.497 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.440 7.178 -11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.204 6.831 -12.655 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.057 8.720 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.667 7.068 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.333 7.562 -10.261 1.00 0.00 H new ATOM 921 N SER A 67 4.170 2.757 -11.919 1.00 0.00 N ATOM 922 CA SER A 67 4.496 1.341 -11.922 1.00 0.00 C ATOM 923 C SER A 67 5.805 1.104 -11.166 1.00 0.00 C ATOM 924 O SER A 67 6.807 1.765 -11.431 1.00 0.00 O ATOM 925 CB SER A 67 4.602 0.803 -13.350 1.00 0.00 C ATOM 926 OG SER A 67 4.980 -0.570 -13.377 1.00 0.00 O ATOM 0 H SER A 67 4.338 3.235 -12.804 1.00 0.00 H new ATOM 0 HA SER A 67 3.692 0.804 -11.420 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.644 0.925 -13.855 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.333 1.391 -13.906 1.00 0.00 H new ATOM 0 HG SER A 67 5.035 -0.876 -14.306 1.00 0.00 H new ATOM 932 N LEU A 68 5.753 0.157 -10.241 1.00 0.00 N ATOM 933 CA LEU A 68 6.922 -0.176 -9.445 1.00 0.00 C ATOM 934 C LEU A 68 7.501 -1.507 -9.929 1.00 0.00 C ATOM 935 O LEU A 68 7.890 -2.349 -9.121 1.00 0.00 O ATOM 936 CB LEU A 68 6.577 -0.161 -7.954 1.00 0.00 C ATOM 937 CG LEU A 68 5.736 1.022 -7.472 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.684 1.071 -5.943 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.243 2.335 -8.071 1.00 0.00 C ATOM 0 H LEU A 68 4.920 -0.390 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 68 7.699 0.577 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.044 -1.081 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.507 -0.175 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 68 4.714 0.881 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.080 1.921 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.241 0.150 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.694 1.177 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.628 3.160 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.278 2.497 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.185 2.285 -9.158 1.00 0.00 H new ATOM 951 N GLU A 69 7.540 -1.655 -11.245 1.00 0.00 N ATOM 952 CA GLU A 69 8.065 -2.869 -11.846 1.00 0.00 C ATOM 953 C GLU A 69 9.594 -2.836 -11.860 1.00 0.00 C ATOM 954 O GLU A 69 10.241 -3.882 -11.863 1.00 0.00 O ATOM 955 CB GLU A 69 7.508 -3.067 -13.258 1.00 0.00 C ATOM 956 CG GLU A 69 6.328 -4.041 -13.250 1.00 0.00 C ATOM 957 CD GLU A 69 6.258 -4.828 -14.560 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.941 -5.872 -14.631 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.523 -4.368 -15.460 1.00 0.00 O ATOM 0 H GLU A 69 7.217 -0.954 -11.912 1.00 0.00 H new ATOM 0 HA GLU A 69 7.745 -3.718 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.189 -2.107 -13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.293 -3.446 -13.913 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.427 -4.731 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.399 -3.491 -13.102 1.00 0.00 H new ATOM 966 N SER A 70 10.128 -1.623 -11.868 1.00 0.00 N ATOM 967 CA SER A 70 11.569 -1.440 -11.882 1.00 0.00 C ATOM 968 C SER A 70 11.953 -0.246 -11.005 1.00 0.00 C ATOM 969 O SER A 70 12.872 0.502 -11.337 1.00 0.00 O ATOM 970 CB SER A 70 12.086 -1.239 -13.308 1.00 0.00 C ATOM 971 OG SER A 70 11.558 -0.058 -13.906 1.00 0.00 O ATOM 0 H SER A 70 9.588 -0.758 -11.865 1.00 0.00 H new ATOM 0 HA SER A 70 12.032 -2.342 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.174 -1.183 -13.294 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.819 -2.104 -13.916 1.00 0.00 H new ATOM 0 HG SER A 70 11.913 0.035 -14.815 1.00 0.00 H new ATOM 977 N THR A 71 11.231 -0.105 -9.904 1.00 0.00 N ATOM 978 CA THR A 71 11.484 0.985 -8.977 1.00 0.00 C ATOM 979 C THR A 71 12.022 0.444 -7.651 1.00 0.00 C ATOM 980 O THR A 71 11.605 -0.620 -7.196 1.00 0.00 O ATOM 981 CB THR A 71 10.191 1.788 -8.826 1.00 0.00 C ATOM 982 OG1 THR A 71 10.114 2.552 -10.026 1.00 0.00 O ATOM 983 CG2 THR A 71 10.280 2.840 -7.718 1.00 0.00 C ATOM 0 H THR A 71 10.470 -0.728 -9.632 1.00 0.00 H new ATOM 0 HA THR A 71 12.256 1.654 -9.356 1.00 0.00 H new ATOM 0 HB THR A 71 9.365 1.109 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.303 3.102 -10.012 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.336 3.381 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.483 2.349 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.085 3.540 -7.944 1.00 0.00 H new ATOM 991 N THR A 72 12.941 1.200 -7.069 1.00 0.00 N ATOM 992 CA THR A 72 13.540 0.810 -5.804 1.00 0.00 C ATOM 993 C THR A 72 12.467 0.687 -4.720 1.00 0.00 C ATOM 994 O THR A 72 11.274 0.682 -5.021 1.00 0.00 O ATOM 995 CB THR A 72 14.633 1.826 -5.465 1.00 0.00 C ATOM 996 OG1 THR A 72 14.020 3.089 -5.709 1.00 0.00 O ATOM 997 CG2 THR A 72 15.801 1.781 -6.452 1.00 0.00 C ATOM 0 H THR A 72 13.286 2.081 -7.450 1.00 0.00 H new ATOM 0 HA THR A 72 14.002 -0.175 -5.873 1.00 0.00 H new ATOM 0 HB THR A 72 15.003 1.639 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.659 3.806 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.548 2.521 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.250 0.788 -6.439 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.438 2.002 -7.456 1.00 0.00 H new ATOM 1005 N MET A 73 12.929 0.592 -3.482 1.00 0.00 N ATOM 1006 CA MET A 73 12.024 0.470 -2.353 1.00 0.00 C ATOM 1007 C MET A 73 11.759 1.834 -1.712 1.00 0.00 C ATOM 1008 O MET A 73 10.624 2.309 -1.702 1.00 0.00 O ATOM 1009 CB MET A 73 12.630 -0.474 -1.312 1.00 0.00 C ATOM 1010 CG MET A 73 11.572 -0.933 -0.306 1.00 0.00 C ATOM 1011 SD MET A 73 11.911 -2.606 0.215 1.00 0.00 S ATOM 1012 CE MET A 73 10.707 -3.487 -0.764 1.00 0.00 C ATOM 0 H MET A 73 13.919 0.597 -3.236 1.00 0.00 H new ATOM 0 HA MET A 73 11.077 0.069 -2.713 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.063 -1.341 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.441 0.030 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.567 -0.268 0.558 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.581 -0.877 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.304 -4.318 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.898 -2.811 -1.040 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.183 -3.871 -1.666 1.00 0.00 H new ATOM 1022 N GLY A 74 12.825 2.426 -1.194 1.00 0.00 N ATOM 1023 CA GLY A 74 12.722 3.725 -0.553 1.00 0.00 C ATOM 1024 C GLY A 74 11.740 4.629 -1.302 1.00 0.00 C ATOM 1025 O GLY A 74 10.674 4.958 -0.783 1.00 0.00 O ATOM 0 H GLY A 74 13.765 2.029 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.393 3.601 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.704 4.197 -0.520 1.00 0.00 H new ATOM 1029 N SER A 75 12.134 5.006 -2.509 1.00 0.00 N ATOM 1030 CA SER A 75 11.303 5.865 -3.334 1.00 0.00 C ATOM 1031 C SER A 75 9.842 5.418 -3.249 1.00 0.00 C ATOM 1032 O SER A 75 8.953 6.231 -3.001 1.00 0.00 O ATOM 1033 CB SER A 75 11.776 5.858 -4.789 1.00 0.00 C ATOM 1034 OG SER A 75 12.280 7.128 -5.193 1.00 0.00 O ATOM 0 H SER A 75 13.019 4.732 -2.936 1.00 0.00 H new ATOM 0 HA SER A 75 11.387 6.885 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.553 5.103 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.948 5.574 -5.438 1.00 0.00 H new ATOM 0 HG SER A 75 12.573 7.082 -6.127 1.00 0.00 H new ATOM 1040 N ALA A 76 9.639 4.125 -3.460 1.00 0.00 N ATOM 1041 CA ALA A 76 8.301 3.560 -3.410 1.00 0.00 C ATOM 1042 C ALA A 76 7.696 3.814 -2.027 1.00 0.00 C ATOM 1043 O ALA A 76 6.597 4.355 -1.917 1.00 0.00 O ATOM 1044 CB ALA A 76 8.363 2.071 -3.755 1.00 0.00 C ATOM 0 H ALA A 76 10.378 3.453 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 76 7.654 4.038 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.360 1.647 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.772 1.947 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.001 1.557 -3.036 1.00 0.00 H new ATOM 1050 N VAL A 77 8.441 3.411 -1.008 1.00 0.00 N ATOM 1051 CA VAL A 77 7.992 3.588 0.363 1.00 0.00 C ATOM 1052 C VAL A 77 7.657 5.062 0.598 1.00 0.00 C ATOM 1053 O VAL A 77 6.604 5.383 1.148 1.00 0.00 O ATOM 1054 CB VAL A 77 9.047 3.052 1.332 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.642 3.317 2.784 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.301 1.562 1.097 1.00 0.00 C ATOM 0 H VAL A 77 9.352 2.963 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 77 7.083 3.015 0.545 1.00 0.00 H new ATOM 0 HB VAL A 77 9.979 3.584 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.409 2.926 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.535 4.390 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.693 2.824 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.055 1.206 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.375 1.007 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.654 1.410 0.077 1.00 0.00 H new ATOM 1066 N LYS A 78 8.572 5.920 0.172 1.00 0.00 N ATOM 1067 CA LYS A 78 8.387 7.352 0.330 1.00 0.00 C ATOM 1068 C LYS A 78 7.030 7.754 -0.253 1.00 0.00 C ATOM 1069 O LYS A 78 6.281 8.506 0.369 1.00 0.00 O ATOM 1070 CB LYS A 78 9.567 8.115 -0.276 1.00 0.00 C ATOM 1071 CG LYS A 78 10.505 8.630 0.817 1.00 0.00 C ATOM 1072 CD LYS A 78 11.582 7.595 1.149 1.00 0.00 C ATOM 1073 CE LYS A 78 12.813 8.261 1.766 1.00 0.00 C ATOM 1074 NZ LYS A 78 13.805 7.242 2.173 1.00 0.00 N ATOM 0 H LYS A 78 9.444 5.651 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 78 8.373 7.620 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.117 7.463 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.198 8.952 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.975 9.557 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.931 8.863 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.179 6.856 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.869 7.061 0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.261 8.947 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.517 8.855 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.634 7.712 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.379 6.604 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.100 6.693 1.341 1.00 0.00 H new ATOM 1088 N VAL A 79 6.755 7.235 -1.441 1.00 0.00 N ATOM 1089 CA VAL A 79 5.502 7.531 -2.115 1.00 0.00 C ATOM 1090 C VAL A 79 4.355 6.841 -1.374 1.00 0.00 C ATOM 1091 O VAL A 79 3.217 7.306 -1.415 1.00 0.00 O ATOM 1092 CB VAL A 79 5.592 7.126 -3.588 1.00 0.00 C ATOM 1093 CG1 VAL A 79 4.294 7.456 -4.327 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.793 7.788 -4.266 1.00 0.00 C ATOM 0 H VAL A 79 7.378 6.612 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 79 5.302 8.602 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 79 5.737 6.046 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.384 7.158 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.466 6.917 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.105 8.528 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.834 7.484 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.692 8.872 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.710 7.481 -3.763 1.00 0.00 H new ATOM 1104 N LEU A 80 4.694 5.743 -0.714 1.00 0.00 N ATOM 1105 CA LEU A 80 3.706 4.985 0.034 1.00 0.00 C ATOM 1106 C LEU A 80 3.423 5.694 1.360 1.00 0.00 C ATOM 1107 O LEU A 80 2.449 5.378 2.042 1.00 0.00 O ATOM 1108 CB LEU A 80 4.158 3.532 0.198 1.00 0.00 C ATOM 1109 CG LEU A 80 4.249 2.709 -1.088 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.352 1.654 -0.987 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.895 2.091 -1.441 1.00 0.00 C ATOM 0 H LEU A 80 5.639 5.361 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 80 2.764 4.942 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.137 3.529 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.468 3.032 0.878 1.00 0.00 H new ATOM 0 HG LEU A 80 4.519 3.380 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.395 1.083 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.310 2.145 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.137 0.981 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.988 1.511 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.571 1.438 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.160 2.883 -1.585 1.00 0.00 H new ATOM 1123 N THR A 81 4.292 6.640 1.686 1.00 0.00 N ATOM 1124 CA THR A 81 4.148 7.396 2.918 1.00 0.00 C ATOM 1125 C THR A 81 3.662 8.816 2.619 1.00 0.00 C ATOM 1126 O THR A 81 3.573 9.649 3.519 1.00 0.00 O ATOM 1127 CB THR A 81 5.487 7.356 3.658 1.00 0.00 C ATOM 1128 OG1 THR A 81 6.446 7.688 2.657 1.00 0.00 O ATOM 1129 CG2 THR A 81 5.874 5.941 4.091 1.00 0.00 C ATOM 0 H THR A 81 5.098 6.900 1.118 1.00 0.00 H new ATOM 0 HA THR A 81 3.389 6.955 3.565 1.00 0.00 H new ATOM 0 HB THR A 81 5.438 8.003 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.061 8.346 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.831 5.969 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.110 5.543 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.957 5.302 3.212 1.00 0.00 H new ATOM 1137 N SER A 82 3.359 9.047 1.350 1.00 0.00 N ATOM 1138 CA SER A 82 2.884 10.352 0.920 1.00 0.00 C ATOM 1139 C SER A 82 1.554 10.206 0.177 1.00 0.00 C ATOM 1140 O SER A 82 1.490 10.413 -1.034 1.00 0.00 O ATOM 1141 CB SER A 82 3.915 11.048 0.030 1.00 0.00 C ATOM 1142 OG SER A 82 4.050 10.405 -1.234 1.00 0.00 O ATOM 0 H SER A 82 3.433 8.353 0.606 1.00 0.00 H new ATOM 0 HA SER A 82 2.733 10.969 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.621 12.087 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.881 11.060 0.535 1.00 0.00 H new ATOM 0 HG SER A 82 3.165 10.290 -1.639 1.00 0.00 H new ATOM 1148 N SER A 83 0.526 9.850 0.933 1.00 0.00 N ATOM 1149 CA SER A 83 -0.798 9.674 0.362 1.00 0.00 C ATOM 1150 C SER A 83 -1.773 9.193 1.438 1.00 0.00 C ATOM 1151 O SER A 83 -1.444 8.310 2.228 1.00 0.00 O ATOM 1152 CB SER A 83 -0.767 8.686 -0.806 1.00 0.00 C ATOM 1153 OG SER A 83 -2.074 8.394 -1.293 1.00 0.00 O ATOM 0 H SER A 83 0.584 9.679 1.937 1.00 0.00 H new ATOM 0 HA SER A 83 -1.136 10.637 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.163 9.099 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.284 7.762 -0.487 1.00 0.00 H new ATOM 0 HG SER A 83 -2.011 7.761 -2.039 1.00 0.00 H new ATOM 1159 N SER A 84 -2.953 9.795 1.434 1.00 0.00 N ATOM 1160 CA SER A 84 -3.978 9.439 2.401 1.00 0.00 C ATOM 1161 C SER A 84 -4.868 8.331 1.835 1.00 0.00 C ATOM 1162 O SER A 84 -5.843 7.929 2.469 1.00 0.00 O ATOM 1163 CB SER A 84 -4.823 10.657 2.781 1.00 0.00 C ATOM 1164 OG SER A 84 -5.534 10.454 4.000 1.00 0.00 O ATOM 0 H SER A 84 -3.222 10.527 0.777 1.00 0.00 H new ATOM 0 HA SER A 84 -3.486 9.076 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.178 11.530 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.530 10.872 1.980 1.00 0.00 H new ATOM 0 HG SER A 84 -5.926 9.556 4.004 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.502 7.869 0.648 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.255 6.816 -0.010 1.00 0.00 C ATOM 1172 C ARG A 85 -4.376 6.094 -1.033 1.00 0.00 C ATOM 1173 O ARG A 85 -4.330 6.481 -2.200 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.489 7.380 -0.716 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.768 6.719 -0.197 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.895 7.744 -0.053 1.00 0.00 C ATOM 1177 NE ARG A 85 -10.048 7.134 0.645 1.00 0.00 N ATOM 1178 CZ ARG A 85 -11.275 7.672 0.682 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -11.515 8.836 0.063 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -12.261 7.047 1.340 1.00 0.00 N ATOM 0 H ARG A 85 -3.693 8.205 0.125 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.579 6.112 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.542 8.457 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.403 7.219 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.076 5.928 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.573 6.249 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.540 8.611 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.202 8.100 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.900 6.248 1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.764 9.312 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.449 9.246 0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.078 6.162 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.195 7.456 1.368 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.699 5.058 -0.558 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.824 4.279 -1.417 1.00 0.00 C ATOM 1196 C LEU A 86 -3.648 3.222 -2.154 1.00 0.00 C ATOM 1197 O LEU A 86 -4.485 2.551 -1.552 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.660 3.699 -0.611 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.705 4.717 0.016 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.476 5.793 0.782 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.337 4.022 0.895 1.00 0.00 C ATOM 0 H LEU A 86 -3.739 4.741 0.411 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.370 4.916 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.070 3.077 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.083 3.043 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.165 5.219 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.773 6.503 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.145 6.317 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.060 5.327 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.003 4.768 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.166 3.477 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.917 3.325 0.290 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.383 3.107 -3.448 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.091 2.144 -4.274 1.00 0.00 C ATOM 1215 C HIS A 87 -3.083 1.222 -4.963 1.00 0.00 C ATOM 1216 O HIS A 87 -2.617 1.517 -6.062 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.019 2.853 -5.262 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.484 2.555 -5.051 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.428 3.545 -4.841 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.157 1.369 -5.020 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.611 2.970 -4.691 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.441 1.621 -4.802 1.00 0.00 N ATOM 0 H HIS A 87 -2.688 3.665 -3.944 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.731 1.523 -3.648 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.863 3.929 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.742 2.564 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.719 0.391 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.546 3.479 -4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.180 0.921 -4.729 1.00 0.00 H new ATOM 1230 N MET A 88 -2.777 0.123 -4.289 1.00 0.00 N ATOM 1231 CA MET A 88 -1.833 -0.844 -4.822 1.00 0.00 C ATOM 1232 C MET A 88 -2.549 -1.899 -5.669 1.00 0.00 C ATOM 1233 O MET A 88 -3.647 -2.334 -5.327 1.00 0.00 O ATOM 1234 CB MET A 88 -1.096 -1.529 -3.669 1.00 0.00 C ATOM 1235 CG MET A 88 -0.531 -0.498 -2.691 1.00 0.00 C ATOM 1236 SD MET A 88 0.091 -1.317 -1.232 1.00 0.00 S ATOM 1237 CE MET A 88 -1.338 -1.189 -0.171 1.00 0.00 C ATOM 0 H MET A 88 -3.167 -0.119 -3.378 1.00 0.00 H new ATOM 0 HA MET A 88 -1.121 -0.317 -5.457 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.777 -2.199 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.287 -2.143 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.268 0.069 -3.169 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.307 0.216 -2.414 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.047 -0.741 0.779 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.092 -0.565 -0.650 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.749 -2.183 0.008 1.00 0.00 H new ATOM 1247 N MET A 89 -1.897 -2.279 -6.758 1.00 0.00 N ATOM 1248 CA MET A 89 -2.457 -3.274 -7.656 1.00 0.00 C ATOM 1249 C MET A 89 -1.494 -4.448 -7.844 1.00 0.00 C ATOM 1250 O MET A 89 -0.392 -4.275 -8.362 1.00 0.00 O ATOM 1251 CB MET A 89 -2.748 -2.631 -9.014 1.00 0.00 C ATOM 1252 CG MET A 89 -3.369 -1.243 -8.841 1.00 0.00 C ATOM 1253 SD MET A 89 -4.736 -1.325 -7.696 1.00 0.00 S ATOM 1254 CE MET A 89 -6.045 -1.806 -8.810 1.00 0.00 C ATOM 0 H MET A 89 -0.986 -1.916 -7.039 1.00 0.00 H new ATOM 0 HA MET A 89 -3.380 -3.652 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.825 -2.551 -9.588 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.424 -3.268 -9.584 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.618 -0.543 -8.475 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.713 -0.867 -9.804 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.802 -1.022 -8.843 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.636 -1.957 -9.809 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.498 -2.733 -8.460 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.944 -5.617 -7.411 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.136 -6.819 -7.524 1.00 0.00 C ATOM 1266 C VAL A 90 -1.646 -7.662 -8.694 1.00 0.00 C ATOM 1267 O VAL A 90 -2.791 -7.514 -9.118 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.136 -7.577 -6.195 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.561 -6.713 -5.071 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.542 -8.068 -5.845 1.00 0.00 C ATOM 0 H VAL A 90 -2.858 -5.757 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.098 -6.563 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.494 -8.451 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.573 -7.276 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.464 -6.435 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.165 -5.812 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.515 -8.604 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.215 -7.215 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.900 -8.736 -6.628 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.771 -8.529 -9.183 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.119 -9.397 -10.295 1.00 0.00 C ATOM 1282 C ARG A 91 -1.168 -10.855 -9.836 1.00 0.00 C ATOM 1283 O ARG A 91 -0.139 -11.440 -9.502 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.107 -9.263 -11.435 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.446 -8.070 -12.332 1.00 0.00 C ATOM 1286 CD ARG A 91 0.237 -8.198 -13.695 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.760 -8.556 -14.729 1.00 0.00 N ATOM 1288 CZ ARG A 91 -1.706 -7.722 -15.181 1.00 0.00 C ATOM 1289 NH1 ARG A 91 -1.790 -6.476 -14.695 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -2.568 -8.133 -16.121 1.00 0.00 N ATOM 0 H ARG A 91 0.178 -8.649 -8.829 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.101 -9.094 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.895 -9.140 -11.024 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.099 -10.178 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.526 -8.007 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.131 -7.145 -11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.723 -7.258 -13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.016 -8.959 -13.651 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.724 -9.497 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.133 -6.162 -13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.511 -5.842 -15.040 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.504 -9.081 -16.492 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.288 -7.498 -16.465 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.376 -11.401 -9.833 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.573 -12.780 -9.420 1.00 0.00 C ATOM 1306 C ARG A 92 -2.900 -13.655 -10.632 1.00 0.00 C ATOM 1307 O ARG A 92 -3.670 -13.254 -11.503 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.706 -12.892 -8.398 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.420 -13.998 -7.381 1.00 0.00 C ATOM 1310 CD ARG A 92 -4.717 -14.656 -6.906 1.00 0.00 C ATOM 1311 NE ARG A 92 -4.414 -15.921 -6.200 1.00 0.00 N ATOM 1312 CZ ARG A 92 -5.290 -16.923 -6.044 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -6.528 -16.814 -6.544 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -4.927 -18.034 -5.389 1.00 0.00 N ATOM 0 H ARG A 92 -3.228 -10.913 -10.110 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.647 -13.124 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.829 -11.941 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.645 -13.099 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.770 -14.749 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.885 -13.582 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.256 -13.980 -6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.368 -14.852 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.480 -16.037 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.804 -15.968 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.195 -17.577 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.984 -18.117 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.594 -18.797 -5.270 1.00 0.00 H new