USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 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 9 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 13 THR OG1 : rot -158:sc= -0.078 USER MOD Single : A 16 MET CE :methyl -114:sc= -2.2 (180deg=-9.97!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.012) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 125:sc= -3.49! USER MOD Single : A 33 SER OG : rot 7:sc= 0.767! USER MOD Single : A 41 GLN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0.59 (180deg=0.112) USER MOD Single : A 43 CYS SG : rot -28:sc= -0.601 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.245 -4.360 -10.416 1.00 0.00 N ATOM 42 CA LEU A 4 7.122 -5.450 -10.828 1.00 0.00 C ATOM 43 C LEU A 4 8.409 -4.910 -11.444 1.00 0.00 C ATOM 44 O LEU A 4 8.374 -4.061 -12.335 1.00 0.00 O ATOM 45 CB LEU A 4 6.405 -6.357 -11.830 1.00 0.00 C ATOM 46 CG LEU A 4 5.505 -7.439 -11.231 1.00 0.00 C ATOM 47 CD1 LEU A 4 4.511 -7.940 -12.267 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.342 -8.590 -10.692 1.00 0.00 C ATOM 0 HA LEU A 4 7.380 -6.030 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.800 -5.732 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.156 -6.842 -12.453 1.00 0.00 H new ATOM 0 HG LEU A 4 4.946 -7.003 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.879 -8.709 -11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.890 -7.111 -12.606 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.051 -8.359 -13.116 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.685 -9.351 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.927 -9.025 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.014 -8.220 -9.918 1.00 0.00 H new ATOM 60 N ARG A 5 9.543 -5.411 -10.966 1.00 0.00 N ATOM 61 CA ARG A 5 10.841 -4.980 -11.471 1.00 0.00 C ATOM 62 C ARG A 5 11.970 -5.771 -10.815 1.00 0.00 C ATOM 63 O ARG A 5 11.726 -6.660 -9.998 1.00 0.00 O ATOM 64 CB ARG A 5 11.039 -3.484 -11.219 1.00 0.00 C ATOM 65 CG ARG A 5 10.907 -3.090 -9.757 1.00 0.00 C ATOM 66 CD ARG A 5 11.650 -1.797 -9.459 1.00 0.00 C ATOM 67 NE ARG A 5 11.372 -1.304 -8.113 1.00 0.00 N ATOM 68 CZ ARG A 5 10.201 -0.795 -7.744 1.00 0.00 C ATOM 69 NH1 ARG A 5 9.206 -0.713 -8.616 1.00 0.00 N ATOM 70 NH2 ARG A 5 10.025 -0.367 -6.500 1.00 0.00 N ATOM 0 H ARG A 5 9.589 -6.116 -10.230 1.00 0.00 H new ATOM 0 HA ARG A 5 10.865 -5.167 -12.545 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.026 -3.191 -11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.308 -2.926 -11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.853 -2.972 -9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.298 -3.889 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.722 -1.961 -9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.365 -1.039 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 5 12.117 -1.353 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.338 -1.041 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.308 -0.322 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.789 -0.429 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.126 0.024 -6.217 1.00 0.00 H new ATOM 84 N VAL A 6 13.205 -5.442 -11.178 1.00 0.00 N ATOM 85 CA VAL A 6 14.371 -6.121 -10.625 1.00 0.00 C ATOM 86 C VAL A 6 14.809 -5.479 -9.313 1.00 0.00 C ATOM 87 O VAL A 6 15.112 -4.288 -9.263 1.00 0.00 O ATOM 88 CB VAL A 6 15.553 -6.101 -11.612 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.878 -4.675 -12.029 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.770 -6.777 -10.999 1.00 0.00 C ATOM 0 H VAL A 6 13.424 -4.709 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 6 14.078 -7.155 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 6 15.267 -6.658 -12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.716 -4.682 -12.726 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.008 -4.230 -12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.144 -4.090 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.596 -6.754 -11.710 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.059 -6.250 -10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.528 -7.812 -10.757 1.00 0.00 H new ATOM 100 N GLY A 7 14.840 -6.279 -8.251 1.00 0.00 N ATOM 101 CA GLY A 7 15.242 -5.771 -6.952 1.00 0.00 C ATOM 102 C GLY A 7 14.246 -6.112 -5.862 1.00 0.00 C ATOM 103 O GLY A 7 14.587 -6.121 -4.679 1.00 0.00 O ATOM 0 H GLY A 7 14.594 -7.269 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.217 -6.182 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.357 -4.689 -7.009 1.00 0.00 H new ATOM 107 N LEU A 8 13.009 -6.393 -6.260 1.00 0.00 N ATOM 108 CA LEU A 8 11.958 -6.735 -5.308 1.00 0.00 C ATOM 109 C LEU A 8 12.322 -7.991 -4.523 1.00 0.00 C ATOM 110 O LEU A 8 12.097 -8.066 -3.314 1.00 0.00 O ATOM 111 CB LEU A 8 10.630 -6.943 -6.037 1.00 0.00 C ATOM 112 CG LEU A 8 10.291 -5.916 -7.119 1.00 0.00 C ATOM 113 CD1 LEU A 8 8.921 -6.202 -7.715 1.00 0.00 C ATOM 114 CD2 LEU A 8 10.343 -4.506 -6.551 1.00 0.00 C ATOM 0 H LEU A 8 12.710 -6.391 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 8 11.854 -5.907 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.640 -7.933 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.829 -6.941 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 8 11.034 -5.994 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.696 -5.462 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.918 -7.198 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.165 -6.152 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.099 -3.789 -7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.622 -4.414 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.345 -4.303 -6.172 1.00 0.00 H new ATOM 126 N CYS A 9 12.888 -8.972 -5.216 1.00 0.00 N ATOM 127 CA CYS A 9 13.285 -10.225 -4.583 1.00 0.00 C ATOM 128 C CYS A 9 14.790 -10.257 -4.338 1.00 0.00 C ATOM 129 O CYS A 9 15.560 -9.516 -4.951 1.00 0.00 O ATOM 130 CB CYS A 9 12.873 -11.413 -5.454 1.00 0.00 C ATOM 131 SG CYS A 9 11.400 -12.283 -4.866 1.00 0.00 S ATOM 0 H CYS A 9 13.083 -8.925 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 9 12.777 -10.295 -3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.693 -11.060 -6.469 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.703 -12.118 -5.504 1.00 0.00 H new ATOM 0 HG CYS A 9 11.129 -13.269 -5.668 1.00 0.00 H new ATOM 137 N PRO A 10 15.222 -11.133 -3.419 1.00 0.00 N ATOM 138 CA PRO A 10 16.638 -11.282 -3.070 1.00 0.00 C ATOM 139 C PRO A 10 17.449 -11.914 -4.196 1.00 0.00 C ATOM 140 O PRO A 10 18.679 -11.907 -4.168 1.00 0.00 O ATOM 141 CB PRO A 10 16.607 -12.205 -1.849 1.00 0.00 C ATOM 142 CG PRO A 10 15.341 -12.977 -1.989 1.00 0.00 C ATOM 143 CD PRO A 10 14.360 -12.047 -2.650 1.00 0.00 C ATOM 0 HA PRO A 10 17.115 -10.320 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.474 -12.866 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.622 -11.634 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.495 -13.873 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.974 -13.304 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.668 -12.586 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.758 -11.510 -1.917 1.00 0.00 H new ATOM 151 N GLY A 11 16.751 -12.460 -5.187 1.00 0.00 N ATOM 152 CA GLY A 11 17.423 -13.089 -6.309 1.00 0.00 C ATOM 153 C GLY A 11 16.571 -13.102 -7.563 1.00 0.00 C ATOM 154 O GLY A 11 16.170 -14.165 -8.039 1.00 0.00 O ATOM 0 H GLY A 11 15.732 -12.478 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.355 -12.562 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.687 -14.112 -6.043 1.00 0.00 H new ATOM 158 N LEU A 12 16.292 -11.919 -8.099 1.00 0.00 N ATOM 159 CA LEU A 12 15.480 -11.797 -9.304 1.00 0.00 C ATOM 160 C LEU A 12 16.284 -11.175 -10.442 1.00 0.00 C ATOM 161 O LEU A 12 16.974 -10.172 -10.253 1.00 0.00 O ATOM 162 CB LEU A 12 14.236 -10.953 -9.023 1.00 0.00 C ATOM 163 CG LEU A 12 13.057 -11.157 -9.974 1.00 0.00 C ATOM 164 CD1 LEU A 12 12.609 -12.610 -9.966 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.903 -10.239 -9.598 1.00 0.00 C ATOM 0 H LEU A 12 16.616 -11.030 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 12 15.171 -12.798 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.899 -11.165 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.521 -9.901 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 12 13.382 -10.904 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.769 -12.735 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.434 -13.247 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.302 -12.891 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.073 -10.398 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.579 -10.460 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.230 -9.201 -9.658 1.00 0.00 H new ATOM 177 N THR A 13 16.188 -11.775 -11.624 1.00 0.00 N ATOM 178 CA THR A 13 16.905 -11.279 -12.793 1.00 0.00 C ATOM 179 C THR A 13 16.002 -10.417 -13.667 1.00 0.00 C ATOM 180 O THR A 13 14.801 -10.665 -13.769 1.00 0.00 O ATOM 181 CB THR A 13 17.467 -12.437 -13.639 1.00 0.00 C ATOM 182 OG1 THR A 13 18.069 -11.923 -14.833 1.00 0.00 O ATOM 183 CG2 THR A 13 16.368 -13.424 -14.004 1.00 0.00 C ATOM 0 H THR A 13 15.621 -12.605 -11.798 1.00 0.00 H new ATOM 0 HA THR A 13 17.733 -10.674 -12.424 1.00 0.00 H new ATOM 0 HB THR A 13 18.220 -12.958 -13.048 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.106 -12.630 -15.511 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.789 -14.233 -14.601 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.931 -13.835 -13.094 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.596 -12.913 -14.579 1.00 0.00 H new ATOM 191 N GLU A 14 16.588 -9.404 -14.297 1.00 0.00 N ATOM 192 CA GLU A 14 15.835 -8.505 -15.163 1.00 0.00 C ATOM 193 C GLU A 14 15.161 -9.276 -16.294 1.00 0.00 C ATOM 194 O GLU A 14 14.127 -8.859 -16.814 1.00 0.00 O ATOM 195 CB GLU A 14 16.755 -7.428 -15.742 1.00 0.00 C ATOM 196 CG GLU A 14 17.099 -6.326 -14.754 1.00 0.00 C ATOM 197 CD GLU A 14 18.456 -5.705 -15.022 1.00 0.00 C ATOM 198 OE1 GLU A 14 19.477 -6.376 -14.767 1.00 0.00 O ATOM 199 OE2 GLU A 14 18.496 -4.547 -15.488 1.00 0.00 O ATOM 0 H GLU A 14 17.582 -9.185 -14.224 1.00 0.00 H new ATOM 0 HA GLU A 14 15.062 -8.027 -14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.677 -7.896 -16.086 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.277 -6.985 -16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.334 -5.551 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.083 -6.732 -13.743 1.00 0.00 H new ATOM 206 N GLU A 15 15.757 -10.404 -16.670 1.00 0.00 N ATOM 207 CA GLU A 15 15.216 -11.233 -17.740 1.00 0.00 C ATOM 208 C GLU A 15 13.786 -11.663 -17.425 1.00 0.00 C ATOM 209 O GLU A 15 12.888 -11.524 -18.255 1.00 0.00 O ATOM 210 CB GLU A 15 16.095 -12.466 -17.955 1.00 0.00 C ATOM 211 CG GLU A 15 17.214 -12.248 -18.959 1.00 0.00 C ATOM 212 CD GLU A 15 18.294 -11.320 -18.437 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.853 -11.609 -17.358 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.580 -10.306 -19.107 1.00 0.00 O ATOM 0 H GLU A 15 16.614 -10.764 -16.249 1.00 0.00 H new ATOM 0 HA GLU A 15 15.206 -10.640 -18.654 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.528 -12.764 -17.000 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.470 -13.293 -18.294 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.659 -13.209 -19.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.798 -11.834 -19.877 1.00 0.00 H new ATOM 221 N MET A 16 13.583 -12.187 -16.220 1.00 0.00 N ATOM 222 CA MET A 16 12.263 -12.637 -15.795 1.00 0.00 C ATOM 223 C MET A 16 11.274 -11.476 -15.773 1.00 0.00 C ATOM 224 O MET A 16 10.080 -11.661 -16.012 1.00 0.00 O ATOM 225 CB MET A 16 12.342 -13.281 -14.410 1.00 0.00 C ATOM 226 CG MET A 16 11.538 -14.565 -14.290 1.00 0.00 C ATOM 227 SD MET A 16 9.868 -14.284 -13.672 1.00 0.00 S ATOM 228 CE MET A 16 10.136 -14.407 -11.905 1.00 0.00 C ATOM 0 H MET A 16 14.316 -12.310 -15.521 1.00 0.00 H new ATOM 0 HA MET A 16 11.911 -13.378 -16.513 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.385 -13.492 -14.176 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.986 -12.568 -13.666 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.484 -15.047 -15.266 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.057 -15.253 -13.623 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.615 -15.283 -11.518 1.00 0.00 H new ATOM 0 HE2 MET A 16 11.203 -14.502 -11.705 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.753 -13.511 -11.416 1.00 0.00 H new ATOM 238 N ILE A 17 11.778 -10.281 -15.485 1.00 0.00 N ATOM 239 CA ILE A 17 10.938 -9.091 -15.433 1.00 0.00 C ATOM 240 C ILE A 17 10.374 -8.755 -16.809 1.00 0.00 C ATOM 241 O ILE A 17 9.221 -8.343 -16.934 1.00 0.00 O ATOM 242 CB ILE A 17 11.717 -7.874 -14.899 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.493 -8.252 -13.635 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.769 -6.718 -14.619 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.625 -8.853 -12.552 1.00 0.00 C ATOM 0 H ILE A 17 12.764 -10.111 -15.284 1.00 0.00 H new ATOM 0 HA ILE A 17 10.117 -9.315 -14.751 1.00 0.00 H new ATOM 0 HB ILE A 17 12.430 -7.556 -15.660 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.276 -8.963 -13.898 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.987 -7.363 -13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.335 -5.866 -14.242 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.258 -6.436 -15.539 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.034 -7.023 -13.874 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.240 -9.097 -11.686 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.857 -8.136 -12.261 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.151 -9.760 -12.927 1.00 0.00 H new ATOM 257 N GLN A 18 11.194 -8.936 -17.839 1.00 0.00 N ATOM 258 CA GLN A 18 10.776 -8.653 -19.207 1.00 0.00 C ATOM 259 C GLN A 18 9.666 -9.602 -19.644 1.00 0.00 C ATOM 260 O GLN A 18 8.741 -9.208 -20.356 1.00 0.00 O ATOM 261 CB GLN A 18 11.967 -8.768 -20.160 1.00 0.00 C ATOM 262 CG GLN A 18 11.765 -8.035 -21.476 1.00 0.00 C ATOM 263 CD GLN A 18 12.548 -8.655 -22.617 1.00 0.00 C ATOM 264 OE1 GLN A 18 11.972 -9.111 -23.605 1.00 0.00 O ATOM 265 NE2 GLN A 18 13.869 -8.677 -22.485 1.00 0.00 N ATOM 0 H GLN A 18 12.151 -9.277 -17.752 1.00 0.00 H new ATOM 0 HA GLN A 18 10.391 -7.634 -19.240 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.856 -8.374 -19.667 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.157 -9.821 -20.366 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.704 -8.033 -21.727 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.066 -6.994 -21.357 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.305 -8.288 -21.649 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.448 -9.083 -23.220 1.00 0.00 H new ATOM 274 N LEU A 19 9.762 -10.855 -19.213 1.00 0.00 N ATOM 275 CA LEU A 19 8.765 -11.863 -19.560 1.00 0.00 C ATOM 276 C LEU A 19 7.432 -11.566 -18.881 1.00 0.00 C ATOM 277 O LEU A 19 6.366 -11.807 -19.450 1.00 0.00 O ATOM 278 CB LEU A 19 9.256 -13.254 -19.159 1.00 0.00 C ATOM 279 CG LEU A 19 10.091 -13.999 -20.202 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.935 -15.076 -19.540 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.192 -14.604 -21.270 1.00 0.00 C ATOM 0 H LEU A 19 10.520 -11.198 -18.623 1.00 0.00 H new ATOM 0 HA LEU A 19 8.616 -11.835 -20.639 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.848 -13.160 -18.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.389 -13.866 -18.913 1.00 0.00 H new ATOM 0 HG LEU A 19 10.761 -13.285 -20.681 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.522 -15.595 -20.298 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.605 -14.617 -18.813 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.284 -15.789 -19.034 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.802 -15.130 -22.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.497 -15.304 -20.807 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.632 -13.811 -21.766 1.00 0.00 H new ATOM 293 N LEU A 20 7.499 -11.039 -17.664 1.00 0.00 N ATOM 294 CA LEU A 20 6.297 -10.706 -16.907 1.00 0.00 C ATOM 295 C LEU A 20 5.545 -9.550 -17.559 1.00 0.00 C ATOM 296 O LEU A 20 4.321 -9.585 -17.685 1.00 0.00 O ATOM 297 CB LEU A 20 6.661 -10.344 -15.466 1.00 0.00 C ATOM 298 CG LEU A 20 7.231 -11.478 -14.613 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.079 -10.919 -13.481 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.109 -12.346 -14.063 1.00 0.00 C ATOM 0 H LEU A 20 8.373 -10.833 -17.180 1.00 0.00 H new ATOM 0 HA LEU A 20 5.647 -11.581 -16.902 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.388 -9.533 -15.489 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.769 -9.958 -14.973 1.00 0.00 H new ATOM 0 HG LEU A 20 7.867 -12.098 -15.244 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.476 -11.740 -12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.904 -10.340 -13.896 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.465 -10.276 -12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.532 -13.148 -13.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.447 -11.738 -13.447 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.542 -12.775 -14.889 1.00 0.00 H new ATOM 312 N ARG A 21 6.287 -8.528 -17.974 1.00 0.00 N ATOM 313 CA ARG A 21 5.691 -7.362 -18.615 1.00 0.00 C ATOM 314 C ARG A 21 5.203 -7.704 -20.020 1.00 0.00 C ATOM 315 O ARG A 21 4.259 -7.096 -20.525 1.00 0.00 O ATOM 316 CB ARG A 21 6.702 -6.216 -18.679 1.00 0.00 C ATOM 317 CG ARG A 21 7.984 -6.576 -19.413 1.00 0.00 C ATOM 318 CD ARG A 21 8.974 -5.422 -19.402 1.00 0.00 C ATOM 319 NE ARG A 21 9.899 -5.483 -20.530 1.00 0.00 N ATOM 320 CZ ARG A 21 9.549 -5.214 -21.783 1.00 0.00 C ATOM 321 NH1 ARG A 21 8.301 -4.866 -22.066 1.00 0.00 N ATOM 322 NH2 ARG A 21 10.448 -5.292 -22.756 1.00 0.00 N ATOM 0 H ARG A 21 7.301 -8.484 -17.878 1.00 0.00 H new ATOM 0 HA ARG A 21 4.835 -7.048 -18.018 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.239 -5.361 -19.172 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.949 -5.904 -17.664 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.438 -7.451 -18.947 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.751 -6.848 -20.443 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.430 -4.478 -19.430 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.538 -5.437 -18.469 1.00 0.00 H new ATOM 0 HE ARG A 21 10.867 -5.747 -20.346 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.607 -4.804 -21.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.035 -4.660 -23.029 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.409 -5.559 -22.542 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.178 -5.085 -23.718 1.00 0.00 H new ATOM 336 N SER A 22 5.854 -8.679 -20.646 1.00 0.00 N ATOM 337 CA SER A 22 5.489 -9.099 -21.994 1.00 0.00 C ATOM 338 C SER A 22 4.104 -9.738 -22.008 1.00 0.00 C ATOM 339 O SER A 22 3.417 -9.735 -23.030 1.00 0.00 O ATOM 340 CB SER A 22 6.523 -10.085 -22.541 1.00 0.00 C ATOM 341 OG SER A 22 6.281 -10.372 -23.908 1.00 0.00 O ATOM 0 H SER A 22 6.637 -9.193 -20.241 1.00 0.00 H new ATOM 0 HA SER A 22 5.468 -8.214 -22.630 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.524 -9.669 -22.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.492 -11.008 -21.961 1.00 0.00 H new ATOM 0 HG SER A 22 6.956 -11.003 -24.234 1.00 0.00 H new ATOM 347 N HIS A 23 3.699 -10.285 -20.866 1.00 0.00 N ATOM 348 CA HIS A 23 2.395 -10.927 -20.746 1.00 0.00 C ATOM 349 C HIS A 23 1.340 -9.931 -20.276 1.00 0.00 C ATOM 350 O HIS A 23 0.239 -10.317 -19.884 1.00 0.00 O ATOM 351 CB HIS A 23 2.471 -12.105 -19.773 1.00 0.00 C ATOM 352 CG HIS A 23 3.007 -13.359 -20.392 1.00 0.00 C ATOM 353 ND1 HIS A 23 3.807 -14.252 -19.711 1.00 0.00 N ATOM 354 CD2 HIS A 23 2.850 -13.869 -21.636 1.00 0.00 C ATOM 355 CE1 HIS A 23 4.122 -15.256 -20.510 1.00 0.00 C ATOM 356 NE2 HIS A 23 3.553 -15.048 -21.684 1.00 0.00 N ATOM 0 H HIS A 23 4.255 -10.296 -20.011 1.00 0.00 H new ATOM 0 HA HIS A 23 2.107 -11.296 -21.730 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.102 -11.828 -18.928 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.475 -12.302 -19.376 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.279 -13.431 -22.441 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.739 -16.102 -20.248 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.624 -15.663 -22.495 1.00 0.00 H new ATOM 364 N ARG A 24 1.684 -8.648 -20.318 1.00 0.00 N ATOM 365 CA ARG A 24 0.768 -7.597 -19.894 1.00 0.00 C ATOM 366 C ARG A 24 0.293 -7.833 -18.463 1.00 0.00 C ATOM 367 O ARG A 24 -0.842 -7.509 -18.114 1.00 0.00 O ATOM 368 CB ARG A 24 -0.435 -7.529 -20.837 1.00 0.00 C ATOM 369 CG ARG A 24 -0.056 -7.317 -22.294 1.00 0.00 C ATOM 370 CD ARG A 24 -0.054 -5.841 -22.659 1.00 0.00 C ATOM 371 NE ARG A 24 -1.400 -5.343 -22.933 1.00 0.00 N ATOM 372 CZ ARG A 24 -1.659 -4.097 -23.312 1.00 0.00 C ATOM 373 NH1 ARG A 24 -0.670 -3.226 -23.462 1.00 0.00 N ATOM 374 NH2 ARG A 24 -2.910 -3.719 -23.543 1.00 0.00 N ATOM 0 H ARG A 24 2.591 -8.312 -20.642 1.00 0.00 H new ATOM 0 HA ARG A 24 1.303 -6.648 -19.929 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.007 -8.453 -20.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.090 -6.718 -20.519 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.931 -7.740 -22.480 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.758 -7.851 -22.935 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.386 -5.267 -21.844 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.576 -5.685 -23.535 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.183 -5.988 -22.827 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.293 -3.513 -23.286 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.872 -2.270 -23.753 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.673 -4.386 -23.429 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.108 -2.762 -23.834 1.00 0.00 H new ATOM 388 N ILE A 25 1.170 -8.400 -17.641 1.00 0.00 N ATOM 389 CA ILE A 25 0.840 -8.679 -16.249 1.00 0.00 C ATOM 390 C ILE A 25 0.778 -7.394 -15.430 1.00 0.00 C ATOM 391 O ILE A 25 1.475 -6.422 -15.725 1.00 0.00 O ATOM 392 CB ILE A 25 1.865 -9.633 -15.608 1.00 0.00 C ATOM 393 CG1 ILE A 25 1.949 -10.936 -16.406 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.494 -9.915 -14.160 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.834 -11.981 -15.764 1.00 0.00 C ATOM 0 H ILE A 25 2.113 -8.675 -17.915 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.140 -9.156 -16.247 1.00 0.00 H new ATOM 0 HB ILE A 25 2.844 -9.155 -15.624 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.946 -11.345 -16.526 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.325 -10.717 -17.405 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.228 -10.591 -13.721 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.480 -8.980 -13.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.507 -10.376 -14.120 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.847 -12.878 -16.384 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.847 -11.591 -15.669 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.447 -12.229 -14.776 1.00 0.00 H new ATOM 407 N LYS A 26 -0.060 -7.395 -14.399 1.00 0.00 N ATOM 408 CA LYS A 26 -0.212 -6.231 -13.534 1.00 0.00 C ATOM 409 C LYS A 26 0.818 -6.251 -12.410 1.00 0.00 C ATOM 410 O LYS A 26 1.727 -7.082 -12.400 1.00 0.00 O ATOM 411 CB LYS A 26 -1.624 -6.188 -12.946 1.00 0.00 C ATOM 412 CG LYS A 26 -2.446 -5.003 -13.423 1.00 0.00 C ATOM 413 CD LYS A 26 -2.218 -3.779 -12.551 1.00 0.00 C ATOM 414 CE LYS A 26 -3.074 -2.606 -13.003 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.378 -2.562 -12.285 1.00 0.00 N ATOM 0 H LYS A 26 -0.645 -8.190 -14.142 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.049 -5.337 -14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.145 -7.109 -13.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.555 -6.157 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.184 -4.769 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.504 -5.266 -13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.450 -4.022 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.166 -3.497 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.534 -1.675 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.252 -2.679 -14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.932 -1.749 -12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.905 -3.440 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.209 -2.467 -11.263 1.00 0.00 H new ATOM 429 N THR A 27 0.670 -5.331 -11.461 1.00 0.00 N ATOM 430 CA THR A 27 1.586 -5.244 -10.331 1.00 0.00 C ATOM 431 C THR A 27 1.399 -6.419 -9.379 1.00 0.00 C ATOM 432 O THR A 27 0.592 -7.313 -9.631 1.00 0.00 O ATOM 433 CB THR A 27 1.393 -3.929 -9.552 1.00 0.00 C ATOM 434 OG1 THR A 27 0.007 -3.743 -9.243 1.00 0.00 O ATOM 435 CG2 THR A 27 1.903 -2.743 -10.356 1.00 0.00 C ATOM 0 H THR A 27 -0.076 -4.636 -11.453 1.00 0.00 H new ATOM 0 HA THR A 27 2.596 -5.270 -10.740 1.00 0.00 H new ATOM 0 HB THR A 27 1.966 -3.992 -8.627 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.099 -3.618 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.756 -1.826 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.965 -2.874 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.354 -2.677 -11.296 1.00 0.00 H new ATOM 443 N VAL A 28 2.150 -6.411 -8.282 1.00 0.00 N ATOM 444 CA VAL A 28 2.065 -7.476 -7.289 1.00 0.00 C ATOM 445 C VAL A 28 0.614 -7.790 -6.943 1.00 0.00 C ATOM 446 O VAL A 28 0.279 -8.921 -6.591 1.00 0.00 O ATOM 447 CB VAL A 28 2.820 -7.103 -6.000 1.00 0.00 C ATOM 448 CG1 VAL A 28 4.301 -6.907 -6.285 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.220 -5.853 -5.374 1.00 0.00 C ATOM 0 H VAL A 28 2.824 -5.679 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 28 2.529 -8.358 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 28 2.717 -7.923 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.817 -6.644 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.720 -7.830 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.429 -6.106 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.766 -5.604 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.291 -5.024 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.173 -6.034 -5.131 1.00 0.00 H new ATOM 459 N VAL A 29 -0.245 -6.781 -7.046 1.00 0.00 N ATOM 460 CA VAL A 29 -1.662 -6.949 -6.745 1.00 0.00 C ATOM 461 C VAL A 29 -2.268 -8.078 -7.570 1.00 0.00 C ATOM 462 O VAL A 29 -3.035 -8.893 -7.057 1.00 0.00 O ATOM 463 CB VAL A 29 -2.450 -5.653 -7.011 1.00 0.00 C ATOM 464 CG1 VAL A 29 -2.304 -5.228 -8.465 1.00 0.00 C ATOM 465 CG2 VAL A 29 -3.915 -5.836 -6.645 1.00 0.00 C ATOM 0 H VAL A 29 0.016 -5.838 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.734 -7.197 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.038 -4.863 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.868 -4.310 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.252 -5.054 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.688 -6.015 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.457 -4.910 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.342 -6.639 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.997 -6.089 -5.588 1.00 0.00 H new ATOM 475 N ASP A 30 -1.920 -8.120 -8.851 1.00 0.00 N ATOM 476 CA ASP A 30 -2.429 -9.151 -9.749 1.00 0.00 C ATOM 477 C ASP A 30 -1.800 -10.504 -9.434 1.00 0.00 C ATOM 478 O ASP A 30 -2.445 -11.546 -9.562 1.00 0.00 O ATOM 479 CB ASP A 30 -2.153 -8.772 -11.204 1.00 0.00 C ATOM 480 CG ASP A 30 -2.379 -9.929 -12.157 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.554 -10.259 -12.422 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.381 -10.505 -12.638 1.00 0.00 O ATOM 0 H ASP A 30 -1.287 -7.452 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.506 -9.228 -9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.797 -7.940 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.124 -8.424 -11.297 1.00 0.00 H new ATOM 487 N LEU A 31 -0.537 -10.482 -9.022 1.00 0.00 N ATOM 488 CA LEU A 31 0.181 -11.708 -8.690 1.00 0.00 C ATOM 489 C LEU A 31 -0.597 -12.535 -7.671 1.00 0.00 C ATOM 490 O LEU A 31 -0.663 -13.761 -7.771 1.00 0.00 O ATOM 491 CB LEU A 31 1.569 -11.377 -8.141 1.00 0.00 C ATOM 492 CG LEU A 31 2.640 -12.451 -8.331 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.267 -13.716 -7.574 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.838 -12.752 -9.810 1.00 0.00 C ATOM 0 H LEU A 31 0.011 -9.629 -8.910 1.00 0.00 H new ATOM 0 HA LEU A 31 0.288 -12.295 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.916 -10.459 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.476 -11.170 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 31 3.580 -12.074 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.041 -14.469 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.177 -13.491 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.316 -14.096 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.604 -13.519 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.901 -13.108 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.151 -11.845 -10.327 1.00 0.00 H new ATOM 506 N VAL A 32 -1.186 -11.857 -6.692 1.00 0.00 N ATOM 507 CA VAL A 32 -1.963 -12.528 -5.656 1.00 0.00 C ATOM 508 C VAL A 32 -3.049 -13.407 -6.266 1.00 0.00 C ATOM 509 O VAL A 32 -3.326 -14.500 -5.775 1.00 0.00 O ATOM 510 CB VAL A 32 -2.616 -11.514 -4.698 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.479 -12.230 -3.670 1.00 0.00 C ATOM 512 CG2 VAL A 32 -1.553 -10.666 -4.016 1.00 0.00 C ATOM 0 H VAL A 32 -1.140 -10.843 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.268 -13.152 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.259 -10.853 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.932 -11.498 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.263 -12.790 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.861 -12.916 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.032 -9.955 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.883 -11.311 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.981 -10.124 -4.769 1.00 0.00 H new ATOM 522 N SER A 33 -3.661 -12.920 -7.342 1.00 0.00 N ATOM 523 CA SER A 33 -4.720 -13.660 -8.018 1.00 0.00 C ATOM 524 C SER A 33 -4.164 -14.443 -9.203 1.00 0.00 C ATOM 525 O SER A 33 -4.884 -15.200 -9.854 1.00 0.00 O ATOM 526 CB SER A 33 -5.816 -12.704 -8.493 1.00 0.00 C ATOM 527 OG SER A 33 -6.637 -13.315 -9.473 1.00 0.00 O ATOM 0 H SER A 33 -3.442 -12.017 -7.763 1.00 0.00 H new ATOM 0 HA SER A 33 -5.147 -14.366 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.426 -12.395 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.363 -11.802 -8.905 1.00 0.00 H new ATOM 0 HG SER A 33 -6.399 -14.262 -9.555 1.00 0.00 H new ATOM 533 N ALA A 34 -2.878 -14.255 -9.478 1.00 0.00 N ATOM 534 CA ALA A 34 -2.223 -14.944 -10.583 1.00 0.00 C ATOM 535 C ALA A 34 -1.841 -16.368 -10.193 1.00 0.00 C ATOM 536 O ALA A 34 -2.178 -16.835 -9.105 1.00 0.00 O ATOM 537 CB ALA A 34 -0.993 -14.170 -11.034 1.00 0.00 C ATOM 0 H ALA A 34 -2.268 -13.631 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.928 -14.999 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.514 -14.697 -11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.290 -13.174 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.292 -14.084 -10.203 1.00 0.00 H new ATOM 543 N ASP A 35 -1.137 -17.053 -11.087 1.00 0.00 N ATOM 544 CA ASP A 35 -0.708 -18.424 -10.836 1.00 0.00 C ATOM 545 C ASP A 35 0.802 -18.491 -10.628 1.00 0.00 C ATOM 546 O ASP A 35 1.522 -19.093 -11.426 1.00 0.00 O ATOM 547 CB ASP A 35 -1.117 -19.330 -11.998 1.00 0.00 C ATOM 548 CG ASP A 35 -2.602 -19.635 -12.000 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.033 -20.490 -11.198 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.333 -19.019 -12.802 1.00 0.00 O ATOM 0 H ASP A 35 -0.851 -16.681 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.197 -18.771 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.846 -18.853 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.557 -20.264 -11.941 1.00 0.00 H new ATOM 555 N LEU A 36 1.274 -17.870 -9.553 1.00 0.00 N ATOM 556 CA LEU A 36 2.699 -17.859 -9.241 1.00 0.00 C ATOM 557 C LEU A 36 3.247 -19.279 -9.145 1.00 0.00 C ATOM 558 O LEU A 36 4.369 -19.551 -9.570 1.00 0.00 O ATOM 559 CB LEU A 36 2.948 -17.115 -7.928 1.00 0.00 C ATOM 560 CG LEU A 36 4.334 -16.492 -7.761 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.404 -17.572 -7.725 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.612 -15.501 -8.882 1.00 0.00 C ATOM 0 H LEU A 36 0.691 -17.368 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 36 3.218 -17.343 -10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.203 -16.325 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.782 -17.809 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 36 4.357 -15.954 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.384 -17.110 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.215 -18.243 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.381 -18.138 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.603 -15.067 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.569 -16.016 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.863 -14.709 -8.861 1.00 0.00 H new ATOM 574 N GLU A 37 2.446 -20.181 -8.586 1.00 0.00 N ATOM 575 CA GLU A 37 2.851 -21.573 -8.437 1.00 0.00 C ATOM 576 C GLU A 37 3.211 -22.184 -9.788 1.00 0.00 C ATOM 577 O GLU A 37 4.165 -22.953 -9.899 1.00 0.00 O ATOM 578 CB GLU A 37 1.733 -22.385 -7.779 1.00 0.00 C ATOM 579 CG GLU A 37 0.432 -22.377 -8.565 1.00 0.00 C ATOM 580 CD GLU A 37 -0.780 -22.621 -7.688 1.00 0.00 C ATOM 581 OE1 GLU A 37 -0.893 -23.730 -7.125 1.00 0.00 O ATOM 582 OE2 GLU A 37 -1.618 -21.703 -7.565 1.00 0.00 O ATOM 0 H GLU A 37 1.514 -19.972 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 37 3.734 -21.601 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.067 -23.415 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.547 -21.989 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.323 -21.417 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.475 -23.142 -9.340 1.00 0.00 H new ATOM 589 N GLU A 38 2.439 -21.835 -10.813 1.00 0.00 N ATOM 590 CA GLU A 38 2.675 -22.349 -12.156 1.00 0.00 C ATOM 591 C GLU A 38 3.881 -21.667 -12.796 1.00 0.00 C ATOM 592 O GLU A 38 4.763 -22.327 -13.345 1.00 0.00 O ATOM 593 CB GLU A 38 1.436 -22.145 -13.030 1.00 0.00 C ATOM 594 CG GLU A 38 1.209 -23.261 -14.036 1.00 0.00 C ATOM 595 CD GLU A 38 1.691 -22.900 -15.427 1.00 0.00 C ATOM 596 OE1 GLU A 38 1.399 -21.773 -15.881 1.00 0.00 O ATOM 597 OE2 GLU A 38 2.358 -23.743 -16.062 1.00 0.00 O ATOM 0 H GLU A 38 1.645 -21.199 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 38 2.883 -23.416 -12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.559 -22.062 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.530 -21.200 -13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.725 -24.160 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.146 -23.500 -14.074 1.00 0.00 H new ATOM 604 N VAL A 39 3.910 -20.340 -12.722 1.00 0.00 N ATOM 605 CA VAL A 39 5.006 -19.566 -13.293 1.00 0.00 C ATOM 606 C VAL A 39 6.342 -19.970 -12.679 1.00 0.00 C ATOM 607 O VAL A 39 7.350 -20.077 -13.376 1.00 0.00 O ATOM 608 CB VAL A 39 4.794 -18.055 -13.086 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.944 -17.266 -13.694 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.464 -17.617 -13.679 1.00 0.00 C ATOM 0 H VAL A 39 3.187 -19.779 -12.272 1.00 0.00 H new ATOM 0 HA VAL A 39 5.021 -19.780 -14.362 1.00 0.00 H new ATOM 0 HB VAL A 39 4.772 -17.853 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.777 -16.200 -13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.879 -17.560 -13.217 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.001 -17.472 -14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.331 -16.546 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.453 -17.832 -14.747 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.653 -18.158 -13.192 1.00 0.00 H new ATOM 620 N ALA A 40 6.341 -20.194 -11.369 1.00 0.00 N ATOM 621 CA ALA A 40 7.552 -20.589 -10.661 1.00 0.00 C ATOM 622 C ALA A 40 8.038 -21.958 -11.126 1.00 0.00 C ATOM 623 O ALA A 40 9.241 -22.203 -11.208 1.00 0.00 O ATOM 624 CB ALA A 40 7.307 -20.596 -9.159 1.00 0.00 C ATOM 0 H ALA A 40 5.515 -20.109 -10.777 1.00 0.00 H new ATOM 0 HA ALA A 40 8.330 -19.860 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.220 -20.893 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.014 -19.598 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.511 -21.302 -8.923 1.00 0.00 H new ATOM 630 N GLN A 41 7.095 -22.845 -11.428 1.00 0.00 N ATOM 631 CA GLN A 41 7.429 -24.189 -11.883 1.00 0.00 C ATOM 632 C GLN A 41 8.137 -24.147 -13.233 1.00 0.00 C ATOM 633 O GLN A 41 9.203 -24.738 -13.407 1.00 0.00 O ATOM 634 CB GLN A 41 6.166 -25.045 -11.982 1.00 0.00 C ATOM 635 CG GLN A 41 5.815 -25.764 -10.689 1.00 0.00 C ATOM 636 CD GLN A 41 4.764 -26.839 -10.886 1.00 0.00 C ATOM 637 OE1 GLN A 41 3.690 -26.791 -10.286 1.00 0.00 O ATOM 638 NE2 GLN A 41 5.069 -27.818 -11.730 1.00 0.00 N ATOM 0 H GLN A 41 6.094 -22.657 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 41 8.105 -24.635 -11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.329 -24.411 -12.274 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.298 -25.782 -12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.716 -26.214 -10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.455 -25.038 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.971 -27.818 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.401 -28.570 -11.902 1.00 0.00 H new ATOM 647 N LYS A 42 7.536 -23.444 -14.188 1.00 0.00 N ATOM 648 CA LYS A 42 8.108 -23.323 -15.524 1.00 0.00 C ATOM 649 C LYS A 42 9.377 -22.477 -15.498 1.00 0.00 C ATOM 650 O LYS A 42 10.363 -22.800 -16.161 1.00 0.00 O ATOM 651 CB LYS A 42 7.089 -22.704 -16.483 1.00 0.00 C ATOM 652 CG LYS A 42 6.577 -21.346 -16.033 1.00 0.00 C ATOM 653 CD LYS A 42 5.501 -20.819 -16.967 1.00 0.00 C ATOM 654 CE LYS A 42 4.185 -21.555 -16.773 1.00 0.00 C ATOM 655 NZ LYS A 42 3.273 -21.378 -17.937 1.00 0.00 N ATOM 0 H LYS A 42 6.653 -22.950 -14.061 1.00 0.00 H new ATOM 0 HA LYS A 42 8.366 -24.323 -15.874 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.544 -22.603 -17.468 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.244 -23.384 -16.591 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.177 -21.424 -15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.405 -20.638 -15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.353 -19.754 -16.789 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.830 -20.927 -18.000 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.381 -22.617 -16.624 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.695 -21.191 -15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.286 -21.472 -17.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.416 -20.434 -18.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.479 -22.104 -18.653 1.00 0.00 H new ATOM 669 N CYS A 43 9.345 -21.395 -14.728 1.00 0.00 N ATOM 670 CA CYS A 43 10.494 -20.503 -14.616 1.00 0.00 C ATOM 671 C CYS A 43 11.643 -21.186 -13.881 1.00 0.00 C ATOM 672 O CYS A 43 12.809 -20.853 -14.086 1.00 0.00 O ATOM 673 CB CYS A 43 10.098 -19.218 -13.887 1.00 0.00 C ATOM 674 SG CYS A 43 11.378 -17.941 -13.895 1.00 0.00 S ATOM 0 H CYS A 43 8.537 -21.114 -14.172 1.00 0.00 H new ATOM 0 HA CYS A 43 10.829 -20.253 -15.623 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.195 -18.816 -14.347 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.849 -19.461 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 43 12.549 -18.501 -13.973 1.00 0.00 H new ATOM 680 N GLY A 44 11.303 -22.142 -13.021 1.00 0.00 N ATOM 681 CA GLY A 44 12.318 -22.855 -12.267 1.00 0.00 C ATOM 682 C GLY A 44 12.688 -22.147 -10.979 1.00 0.00 C ATOM 683 O GLY A 44 13.807 -22.288 -10.484 1.00 0.00 O ATOM 0 H GLY A 44 10.344 -22.435 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.958 -23.857 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.210 -22.971 -12.883 1.00 0.00 H new ATOM 687 N LEU A 45 11.748 -21.382 -10.435 1.00 0.00 N ATOM 688 CA LEU A 45 11.981 -20.647 -9.197 1.00 0.00 C ATOM 689 C LEU A 45 11.379 -21.383 -8.005 1.00 0.00 C ATOM 690 O LEU A 45 10.680 -22.383 -8.169 1.00 0.00 O ATOM 691 CB LEU A 45 11.387 -19.241 -9.296 1.00 0.00 C ATOM 692 CG LEU A 45 12.181 -18.233 -10.128 1.00 0.00 C ATOM 693 CD1 LEU A 45 11.283 -17.096 -10.589 1.00 0.00 C ATOM 694 CD2 LEU A 45 13.360 -17.695 -9.331 1.00 0.00 C ATOM 0 H LEU A 45 10.817 -21.255 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 45 13.058 -20.570 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.385 -19.321 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.277 -18.843 -8.287 1.00 0.00 H new ATOM 0 HG LEU A 45 12.567 -18.743 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.866 -16.389 -11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.473 -17.496 -11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.866 -16.586 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.914 -16.979 -9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.995 -17.201 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.017 -18.519 -9.052 1.00 0.00 H new ATOM 706 N SER A 46 11.653 -20.880 -6.805 1.00 0.00 N ATOM 707 CA SER A 46 11.139 -21.491 -5.585 1.00 0.00 C ATOM 708 C SER A 46 9.879 -20.775 -5.107 1.00 0.00 C ATOM 709 O SER A 46 9.943 -19.654 -4.601 1.00 0.00 O ATOM 710 CB SER A 46 12.204 -21.461 -4.487 1.00 0.00 C ATOM 711 OG SER A 46 13.444 -21.954 -4.965 1.00 0.00 O ATOM 0 H SER A 46 12.228 -20.051 -6.652 1.00 0.00 H new ATOM 0 HA SER A 46 10.884 -22.527 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.330 -20.440 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.873 -22.061 -3.639 1.00 0.00 H new ATOM 0 HG SER A 46 14.108 -21.923 -4.245 1.00 0.00 H new ATOM 717 N TYR A 47 8.736 -21.430 -5.273 1.00 0.00 N ATOM 718 CA TYR A 47 7.460 -20.856 -4.861 1.00 0.00 C ATOM 719 C TYR A 47 7.427 -20.627 -3.353 1.00 0.00 C ATOM 720 O TYR A 47 6.839 -19.658 -2.873 1.00 0.00 O ATOM 721 CB TYR A 47 6.307 -21.773 -5.275 1.00 0.00 C ATOM 722 CG TYR A 47 4.967 -21.348 -4.720 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.540 -21.782 -3.471 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.127 -20.511 -5.445 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.316 -21.396 -2.961 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.901 -20.119 -4.942 1.00 0.00 C ATOM 727 CZ TYR A 47 2.500 -20.565 -3.700 1.00 0.00 C ATOM 728 OH TYR A 47 1.280 -20.178 -3.194 1.00 0.00 O ATOM 0 H TYR A 47 8.666 -22.358 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 47 7.346 -19.893 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.248 -21.800 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.523 -22.788 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.176 -22.432 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.438 -20.161 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.999 -21.743 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.261 -19.467 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 47 0.830 -19.592 -3.838 1.00 0.00 H new ATOM 738 N LYS A 48 8.063 -21.526 -2.611 1.00 0.00 N ATOM 739 CA LYS A 48 8.110 -21.424 -1.157 1.00 0.00 C ATOM 740 C LYS A 48 8.709 -20.089 -0.724 1.00 0.00 C ATOM 741 O LYS A 48 8.272 -19.492 0.260 1.00 0.00 O ATOM 742 CB LYS A 48 8.928 -22.576 -0.570 1.00 0.00 C ATOM 743 CG LYS A 48 8.501 -23.944 -1.073 1.00 0.00 C ATOM 744 CD LYS A 48 8.788 -25.029 -0.049 1.00 0.00 C ATOM 745 CE LYS A 48 8.167 -26.357 -0.455 1.00 0.00 C ATOM 746 NZ LYS A 48 8.907 -26.994 -1.579 1.00 0.00 N ATOM 0 H LYS A 48 8.554 -22.335 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 48 7.089 -21.483 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.980 -22.422 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.842 -22.555 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.436 -23.932 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.025 -24.171 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.866 -25.149 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.398 -24.726 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.158 -27.031 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.129 -26.198 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.453 -27.896 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.894 -26.362 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.891 -27.169 -1.292 1.00 0.00 H new ATOM 760 N ALA A 49 9.709 -19.626 -1.467 1.00 0.00 N ATOM 761 CA ALA A 49 10.364 -18.360 -1.162 1.00 0.00 C ATOM 762 C ALA A 49 9.435 -17.182 -1.433 1.00 0.00 C ATOM 763 O ALA A 49 9.488 -16.164 -0.740 1.00 0.00 O ATOM 764 CB ALA A 49 11.646 -18.221 -1.970 1.00 0.00 C ATOM 0 H ALA A 49 10.083 -20.109 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 49 10.614 -18.355 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.125 -17.271 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.322 -19.040 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.411 -18.253 -3.034 1.00 0.00 H new ATOM 770 N LEU A 50 8.586 -17.324 -2.444 1.00 0.00 N ATOM 771 CA LEU A 50 7.644 -16.271 -2.807 1.00 0.00 C ATOM 772 C LEU A 50 6.512 -16.178 -1.790 1.00 0.00 C ATOM 773 O LEU A 50 6.227 -15.104 -1.259 1.00 0.00 O ATOM 774 CB LEU A 50 7.072 -16.529 -4.202 1.00 0.00 C ATOM 775 CG LEU A 50 6.670 -15.290 -5.003 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.579 -14.517 -4.278 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.880 -14.401 -5.254 1.00 0.00 C ATOM 0 H LEU A 50 8.530 -18.159 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 50 8.182 -15.323 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.811 -17.086 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.197 -17.171 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 50 6.277 -15.615 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.306 -13.639 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.704 -15.155 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.944 -14.203 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.575 -13.524 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.303 -14.084 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.630 -14.957 -5.816 1.00 0.00 H new ATOM 789 N VAL A 51 5.870 -17.311 -1.521 1.00 0.00 N ATOM 790 CA VAL A 51 4.771 -17.358 -0.565 1.00 0.00 C ATOM 791 C VAL A 51 5.216 -16.871 0.810 1.00 0.00 C ATOM 792 O VAL A 51 4.465 -16.199 1.515 1.00 0.00 O ATOM 793 CB VAL A 51 4.203 -18.784 -0.432 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.301 -19.762 -0.043 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.068 -18.813 0.580 1.00 0.00 C ATOM 0 H VAL A 51 6.093 -18.208 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 51 3.992 -16.698 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 51 3.804 -19.089 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.881 -20.764 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.077 -19.761 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.733 -19.463 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.679 -19.828 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.439 -18.488 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.272 -18.144 0.253 1.00 0.00 H new ATOM 805 N ALA A 52 6.444 -17.215 1.184 1.00 0.00 N ATOM 806 CA ALA A 52 6.992 -16.810 2.473 1.00 0.00 C ATOM 807 C ALA A 52 7.022 -15.291 2.604 1.00 0.00 C ATOM 808 O ALA A 52 6.648 -14.740 3.640 1.00 0.00 O ATOM 809 CB ALA A 52 8.388 -17.386 2.657 1.00 0.00 C ATOM 0 H ALA A 52 7.078 -17.773 0.613 1.00 0.00 H new ATOM 0 HA ALA A 52 6.343 -17.203 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.785 -17.076 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.341 -18.474 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.040 -17.021 1.863 1.00 0.00 H new ATOM 815 N LEU A 53 7.470 -14.620 1.549 1.00 0.00 N ATOM 816 CA LEU A 53 7.550 -13.163 1.547 1.00 0.00 C ATOM 817 C LEU A 53 6.157 -12.542 1.516 1.00 0.00 C ATOM 818 O LEU A 53 5.876 -11.587 2.241 1.00 0.00 O ATOM 819 CB LEU A 53 8.363 -12.679 0.345 1.00 0.00 C ATOM 820 CG LEU A 53 9.883 -12.706 0.509 1.00 0.00 C ATOM 821 CD1 LEU A 53 10.568 -12.418 -0.818 1.00 0.00 C ATOM 822 CD2 LEU A 53 10.323 -11.704 1.567 1.00 0.00 C ATOM 0 H LEU A 53 7.783 -15.061 0.684 1.00 0.00 H new ATOM 0 HA LEU A 53 8.048 -12.849 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.100 -13.292 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.060 -11.658 0.114 1.00 0.00 H new ATOM 0 HG LEU A 53 10.176 -13.703 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.649 -12.441 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.278 -13.173 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.269 -11.433 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.408 -11.737 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.017 -10.701 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.860 -11.955 2.521 1.00 0.00 H new ATOM 834 N ARG A 54 5.288 -13.090 0.673 1.00 0.00 N ATOM 835 CA ARG A 54 3.924 -12.590 0.549 1.00 0.00 C ATOM 836 C ARG A 54 3.181 -12.702 1.877 1.00 0.00 C ATOM 837 O ARG A 54 2.513 -11.762 2.307 1.00 0.00 O ATOM 838 CB ARG A 54 3.172 -13.363 -0.536 1.00 0.00 C ATOM 839 CG ARG A 54 2.066 -12.560 -1.200 1.00 0.00 C ATOM 840 CD ARG A 54 1.677 -13.153 -2.545 1.00 0.00 C ATOM 841 NE ARG A 54 2.638 -12.815 -3.591 1.00 0.00 N ATOM 842 CZ ARG A 54 2.760 -11.599 -4.112 1.00 0.00 C ATOM 843 NH1 ARG A 54 1.985 -10.611 -3.686 1.00 0.00 N ATOM 844 NH2 ARG A 54 3.658 -11.369 -5.062 1.00 0.00 N ATOM 0 H ARG A 54 5.504 -13.880 0.066 1.00 0.00 H new ATOM 0 HA ARG A 54 3.973 -11.538 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.882 -13.687 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.742 -14.263 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.193 -12.532 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.395 -11.530 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.605 -14.237 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.689 -12.790 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 54 3.249 -13.553 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.293 -10.784 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.081 -9.678 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.256 -12.126 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.750 -10.435 -5.461 1.00 0.00 H new ATOM 858 N ARG A 55 3.302 -13.859 2.520 1.00 0.00 N ATOM 859 CA ARG A 55 2.640 -14.095 3.798 1.00 0.00 C ATOM 860 C ARG A 55 3.076 -13.064 4.835 1.00 0.00 C ATOM 861 O ARG A 55 2.269 -12.594 5.637 1.00 0.00 O ATOM 862 CB ARG A 55 2.949 -15.505 4.304 1.00 0.00 C ATOM 863 CG ARG A 55 1.895 -16.057 5.250 1.00 0.00 C ATOM 864 CD ARG A 55 1.959 -17.574 5.331 1.00 0.00 C ATOM 865 NE ARG A 55 1.394 -18.210 4.144 1.00 0.00 N ATOM 866 CZ ARG A 55 1.510 -19.506 3.878 1.00 0.00 C ATOM 867 NH1 ARG A 55 2.167 -20.300 4.712 1.00 0.00 N ATOM 868 NH2 ARG A 55 0.967 -20.010 2.777 1.00 0.00 N ATOM 0 H ARG A 55 3.852 -14.647 2.177 1.00 0.00 H new ATOM 0 HA ARG A 55 1.565 -13.999 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.045 -16.175 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.913 -15.496 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.038 -15.632 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.905 -15.751 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.996 -17.887 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.419 -17.913 6.215 1.00 0.00 H new ATOM 0 HE ARG A 55 0.882 -17.626 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.584 -19.916 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.255 -21.295 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.460 -19.402 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.057 -21.006 2.574 1.00 0.00 H new ATOM 882 N VAL A 56 4.359 -12.716 4.813 1.00 0.00 N ATOM 883 CA VAL A 56 4.903 -11.741 5.750 1.00 0.00 C ATOM 884 C VAL A 56 4.367 -10.343 5.461 1.00 0.00 C ATOM 885 O VAL A 56 4.070 -9.578 6.380 1.00 0.00 O ATOM 886 CB VAL A 56 6.442 -11.709 5.697 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.989 -10.668 6.662 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.014 -13.085 6.004 1.00 0.00 C ATOM 0 H VAL A 56 5.041 -13.095 4.156 1.00 0.00 H new ATOM 0 HA VAL A 56 4.587 -12.050 6.747 1.00 0.00 H new ATOM 0 HB VAL A 56 6.747 -11.430 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.078 -10.660 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.606 -9.684 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.676 -10.913 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.102 -13.044 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.701 -13.395 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.649 -13.803 5.269 1.00 0.00 H new ATOM 898 N LEU A 57 4.245 -10.015 4.180 1.00 0.00 N ATOM 899 CA LEU A 57 3.743 -8.708 3.769 1.00 0.00 C ATOM 900 C LEU A 57 2.291 -8.523 4.197 1.00 0.00 C ATOM 901 O LEU A 57 1.925 -7.489 4.757 1.00 0.00 O ATOM 902 CB LEU A 57 3.864 -8.548 2.253 1.00 0.00 C ATOM 903 CG LEU A 57 5.126 -7.845 1.750 1.00 0.00 C ATOM 904 CD1 LEU A 57 6.354 -8.702 2.014 1.00 0.00 C ATOM 905 CD2 LEU A 57 5.004 -7.525 0.268 1.00 0.00 C ATOM 0 H LEU A 57 4.487 -10.636 3.408 1.00 0.00 H new ATOM 0 HA LEU A 57 4.347 -7.944 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.818 -9.538 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.996 -7.993 1.896 1.00 0.00 H new ATOM 0 HG LEU A 57 5.239 -6.907 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.243 -8.186 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.451 -8.879 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.250 -9.656 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.911 -7.025 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.866 -8.449 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.147 -6.871 0.106 1.00 0.00 H new ATOM 917 N LEU A 58 1.468 -9.532 3.933 1.00 0.00 N ATOM 918 CA LEU A 58 0.056 -9.482 4.293 1.00 0.00 C ATOM 919 C LEU A 58 -0.127 -9.614 5.802 1.00 0.00 C ATOM 920 O LEU A 58 -1.039 -9.025 6.381 1.00 0.00 O ATOM 921 CB LEU A 58 -0.714 -10.593 3.576 1.00 0.00 C ATOM 922 CG LEU A 58 -0.192 -12.015 3.787 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.790 -12.622 5.047 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.501 -12.882 2.576 1.00 0.00 C ATOM 0 H LEU A 58 1.755 -10.395 3.471 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.338 -8.515 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.753 -10.557 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.708 -10.380 2.507 1.00 0.00 H new ATOM 0 HG LEU A 58 0.890 -11.970 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.407 -13.634 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.516 -12.014 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.876 -12.654 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.122 -13.890 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.579 -12.921 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.023 -12.457 1.693 1.00 0.00 H new ATOM 936 N ALA A 59 0.749 -10.389 6.433 1.00 0.00 N ATOM 937 CA ALA A 59 0.687 -10.595 7.875 1.00 0.00 C ATOM 938 C ALA A 59 0.821 -9.273 8.624 1.00 0.00 C ATOM 939 O ALA A 59 0.064 -8.998 9.554 1.00 0.00 O ATOM 940 CB ALA A 59 1.772 -11.566 8.316 1.00 0.00 C ATOM 0 H ALA A 59 1.510 -10.885 5.968 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.287 -11.022 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.714 -11.711 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.630 -12.523 7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.750 -11.161 8.056 1.00 0.00 H new ATOM 946 N GLN A 60 1.789 -8.461 8.212 1.00 0.00 N ATOM 947 CA GLN A 60 2.021 -7.168 8.846 1.00 0.00 C ATOM 948 C GLN A 60 0.765 -6.305 8.800 1.00 0.00 C ATOM 949 O GLN A 60 0.441 -5.609 9.763 1.00 0.00 O ATOM 950 CB GLN A 60 3.180 -6.441 8.161 1.00 0.00 C ATOM 951 CG GLN A 60 4.534 -7.087 8.407 1.00 0.00 C ATOM 952 CD GLN A 60 5.149 -6.669 9.728 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.605 -6.952 10.796 1.00 0.00 O ATOM 954 NE2 GLN A 60 6.289 -5.992 9.662 1.00 0.00 N ATOM 0 H GLN A 60 2.424 -8.675 7.443 1.00 0.00 H new ATOM 0 HA GLN A 60 2.279 -7.345 9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.993 -6.407 7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.210 -5.410 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.424 -8.171 8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.211 -6.822 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.704 -5.780 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.750 -5.684 10.518 1.00 0.00 H new ATOM 963 N PHE A 61 0.061 -6.354 7.674 1.00 0.00 N ATOM 964 CA PHE A 61 -1.160 -5.575 7.501 1.00 0.00 C ATOM 965 C PHE A 61 -2.199 -5.951 8.553 1.00 0.00 C ATOM 966 O PHE A 61 -2.924 -5.095 9.059 1.00 0.00 O ATOM 967 CB PHE A 61 -1.735 -5.793 6.100 1.00 0.00 C ATOM 968 CG PHE A 61 -2.569 -4.644 5.609 1.00 0.00 C ATOM 969 CD1 PHE A 61 -3.877 -4.488 6.039 1.00 0.00 C ATOM 970 CD2 PHE A 61 -2.046 -3.721 4.719 1.00 0.00 C ATOM 971 CE1 PHE A 61 -4.648 -3.433 5.589 1.00 0.00 C ATOM 972 CE2 PHE A 61 -2.811 -2.663 4.265 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.114 -2.518 4.702 1.00 0.00 C ATOM 0 H PHE A 61 0.315 -6.925 6.868 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.909 -4.521 7.624 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.915 -5.961 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.343 -6.698 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.299 -5.199 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.028 -3.829 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.667 -3.324 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.391 -1.951 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.714 -1.691 4.351 1.00 0.00 H new