USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 25:sc= 0.717 USER MOD Set 1.2: A 59 TYR OH : rot -151:sc= 1.06 USER MOD Set 2.1: A 9 CYS SG : rot 108:sc= -2.77! USER MOD Set 2.2: A 62 HIS : no HE2:sc= 0.974 K(o=-1.8,f=-6.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 154:sc= -0.117 (180deg=-0.705) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.383 (180deg=0.353) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0.137 (180deg=0.117) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.188 F(o=-2.2,f=-0.19) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 -0.123 7.087 5.355 1.00 0.00 N ATOM 81 CA CYS A 9 -1.015 6.508 4.356 1.00 0.00 C ATOM 82 C CYS A 9 -0.363 5.310 3.674 1.00 0.00 C ATOM 83 O CYS A 9 0.702 5.431 3.069 1.00 0.00 O ATOM 84 CB CYS A 9 -1.396 7.559 3.313 1.00 0.00 C ATOM 85 SG CYS A 9 -3.034 7.318 2.587 1.00 0.00 S ATOM 0 HA CYS A 9 -1.917 6.167 4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.357 8.545 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.652 7.551 2.516 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.845 8.231 3.033 1.00 0.00 H new ATOM 91 N ARG A 10 -1.009 4.153 3.777 1.00 0.00 N ATOM 92 CA ARG A 10 -0.491 2.932 3.173 1.00 0.00 C ATOM 93 C ARG A 10 -1.620 2.101 2.571 1.00 0.00 C ATOM 94 O ARG A 10 -2.655 1.889 3.205 1.00 0.00 O ATOM 95 CB ARG A 10 0.268 2.105 4.212 1.00 0.00 C ATOM 96 CG ARG A 10 1.695 2.574 4.440 1.00 0.00 C ATOM 97 CD ARG A 10 2.406 1.713 5.473 1.00 0.00 C ATOM 98 NE ARG A 10 2.074 2.110 6.839 1.00 0.00 N ATOM 99 CZ ARG A 10 2.351 1.371 7.907 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.961 0.202 7.768 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.017 1.800 9.117 1.00 0.00 N ATOM 0 H ARG A 10 -1.892 4.036 4.273 1.00 0.00 H new ATOM 0 HA ARG A 10 0.194 3.215 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.273 2.141 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.284 1.063 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.244 2.543 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.689 3.612 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.134 0.668 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.484 1.786 5.326 1.00 0.00 H new ATOM 0 HE ARG A 10 1.604 3.004 6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.219 -0.132 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.173 -0.364 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.547 2.698 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.230 1.231 9.937 1.00 0.00 H new ATOM 115 N LEU A 11 -1.416 1.634 1.345 1.00 0.00 N ATOM 116 CA LEU A 11 -2.417 0.826 0.657 1.00 0.00 C ATOM 117 C LEU A 11 -2.145 -0.662 0.853 1.00 0.00 C ATOM 118 O LEU A 11 -1.011 -1.120 0.714 1.00 0.00 O ATOM 119 CB LEU A 11 -2.433 1.161 -0.836 1.00 0.00 C ATOM 120 CG LEU A 11 -2.945 2.553 -1.206 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.095 2.683 -2.714 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.269 2.837 -0.511 1.00 0.00 C ATOM 0 H LEU A 11 -0.566 1.801 0.806 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.392 1.057 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.420 1.054 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.049 0.421 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.215 3.289 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.460 3.680 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.128 2.524 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.804 1.938 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.618 3.832 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.007 2.096 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.131 2.787 0.569 1.00 0.00 H new ATOM 134 N PHE A 12 -3.194 -1.412 1.175 1.00 0.00 N ATOM 135 CA PHE A 12 -3.069 -2.849 1.389 1.00 0.00 C ATOM 136 C PHE A 12 -3.160 -3.606 0.067 1.00 0.00 C ATOM 137 O PHE A 12 -4.248 -3.795 -0.478 1.00 0.00 O ATOM 138 CB PHE A 12 -4.156 -3.340 2.347 1.00 0.00 C ATOM 139 CG PHE A 12 -4.119 -4.822 2.587 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.762 -5.693 1.722 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.441 -5.344 3.677 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.730 -7.058 1.941 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.405 -6.708 3.901 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.050 -7.566 3.031 1.00 0.00 C ATOM 0 H PHE A 12 -4.140 -1.049 1.293 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.091 -3.041 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.049 -2.823 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.132 -3.069 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.294 -5.301 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.935 -4.678 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.236 -7.726 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.874 -7.102 4.755 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.023 -8.632 3.203 1.00 0.00 H new ATOM 154 N ILE A 13 -2.010 -4.036 -0.442 1.00 0.00 N ATOM 155 CA ILE A 13 -1.960 -4.772 -1.699 1.00 0.00 C ATOM 156 C ILE A 13 -1.783 -6.267 -1.453 1.00 0.00 C ATOM 157 O ILE A 13 -0.760 -6.704 -0.928 1.00 0.00 O ATOM 158 CB ILE A 13 -0.815 -4.272 -2.599 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.678 -2.752 -2.489 1.00 0.00 C ATOM 160 CG2 ILE A 13 -1.058 -4.684 -4.043 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.877 -1.997 -3.017 1.00 0.00 C ATOM 0 H ILE A 13 -1.101 -3.887 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.910 -4.599 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 13 0.117 -4.727 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.522 -2.484 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.210 -2.435 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.240 -4.323 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.111 -5.771 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.997 -4.254 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.710 -0.926 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.022 -2.235 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.765 -2.285 -2.454 1.00 0.00 H new ATOM 173 N GLY A 14 -2.788 -7.048 -1.840 1.00 0.00 N ATOM 174 CA GLY A 14 -2.723 -8.486 -1.655 1.00 0.00 C ATOM 175 C GLY A 14 -2.911 -9.246 -2.953 1.00 0.00 C ATOM 176 O GLY A 14 -3.695 -8.841 -3.810 1.00 0.00 O ATOM 0 H GLY A 14 -3.645 -6.710 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.759 -8.750 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.490 -8.793 -0.943 1.00 0.00 H new ATOM 180 N GLY A 15 -2.187 -10.352 -3.100 1.00 0.00 N ATOM 181 CA GLY A 15 -2.290 -11.151 -4.306 1.00 0.00 C ATOM 182 C GLY A 15 -1.073 -11.014 -5.199 1.00 0.00 C ATOM 183 O GLY A 15 -1.193 -11.003 -6.425 1.00 0.00 O ATOM 0 H GLY A 15 -1.531 -10.708 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.421 -12.198 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.179 -10.852 -4.861 1.00 0.00 H new ATOM 187 N ILE A 16 0.100 -10.907 -4.585 1.00 0.00 N ATOM 188 CA ILE A 16 1.344 -10.769 -5.333 1.00 0.00 C ATOM 189 C ILE A 16 2.237 -11.991 -5.145 1.00 0.00 C ATOM 190 O ILE A 16 2.168 -12.692 -4.136 1.00 0.00 O ATOM 191 CB ILE A 16 2.120 -9.509 -4.907 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.288 -9.477 -3.387 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.405 -8.257 -5.393 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.222 -8.389 -2.905 1.00 0.00 C ATOM 0 H ILE A 16 0.216 -10.913 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 16 1.072 -10.680 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 16 3.110 -9.538 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.311 -9.337 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.664 -10.443 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.966 -7.375 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.332 -8.278 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.404 -8.220 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.293 -8.426 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.211 -8.540 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.836 -7.416 -3.210 1.00 0.00 H new ATOM 206 N PRO A 17 3.098 -12.252 -6.139 1.00 0.00 N ATOM 207 CA PRO A 17 4.024 -13.388 -6.106 1.00 0.00 C ATOM 208 C PRO A 17 5.126 -13.208 -5.067 1.00 0.00 C ATOM 209 O PRO A 17 5.604 -12.096 -4.840 1.00 0.00 O ATOM 210 CB PRO A 17 4.617 -13.404 -7.517 1.00 0.00 C ATOM 211 CG PRO A 17 4.492 -11.999 -7.996 1.00 0.00 C ATOM 212 CD PRO A 17 3.235 -11.459 -7.372 1.00 0.00 C ATOM 0 HA PRO A 17 3.522 -14.315 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.658 -13.727 -7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.076 -14.093 -8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.359 -11.408 -7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.435 -11.961 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.319 -10.394 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.374 -11.585 -8.029 1.00 0.00 H new ATOM 220 N LYS A 18 5.526 -14.308 -4.439 1.00 0.00 N ATOM 221 CA LYS A 18 6.573 -14.273 -3.425 1.00 0.00 C ATOM 222 C LYS A 18 7.937 -14.027 -4.060 1.00 0.00 C ATOM 223 O LYS A 18 8.653 -13.102 -3.676 1.00 0.00 O ATOM 224 CB LYS A 18 6.594 -15.586 -2.638 1.00 0.00 C ATOM 225 CG LYS A 18 5.213 -16.087 -2.254 1.00 0.00 C ATOM 226 CD LYS A 18 5.291 -17.366 -1.438 1.00 0.00 C ATOM 227 CE LYS A 18 4.097 -17.507 -0.506 1.00 0.00 C ATOM 228 NZ LYS A 18 4.329 -18.542 0.539 1.00 0.00 N ATOM 0 H LYS A 18 5.141 -15.236 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 18 6.356 -13.451 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.095 -16.349 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.186 -15.448 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.693 -15.320 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.626 -16.264 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.334 -18.224 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.212 -17.371 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.893 -16.548 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.212 -17.769 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.493 -18.608 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.498 -19.462 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.158 -18.280 1.109 1.00 0.00 H new ATOM 242 N MET A 19 8.290 -14.858 -5.035 1.00 0.00 N ATOM 243 CA MET A 19 9.568 -14.728 -5.725 1.00 0.00 C ATOM 244 C MET A 19 9.964 -13.261 -5.864 1.00 0.00 C ATOM 245 O MET A 19 11.138 -12.911 -5.750 1.00 0.00 O ATOM 246 CB MET A 19 9.496 -15.382 -7.106 1.00 0.00 C ATOM 247 CG MET A 19 8.505 -14.713 -8.044 1.00 0.00 C ATOM 248 SD MET A 19 7.999 -15.786 -9.401 1.00 0.00 S ATOM 249 CE MET A 19 7.039 -17.016 -8.521 1.00 0.00 C ATOM 0 H MET A 19 7.709 -15.629 -5.365 1.00 0.00 H new ATOM 0 HA MET A 19 10.327 -15.236 -5.130 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.486 -15.360 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.222 -16.430 -6.989 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.624 -14.409 -7.479 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.951 -13.806 -8.451 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.304 -17.455 -9.196 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.702 -17.797 -8.149 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.526 -16.545 -7.682 1.00 0.00 H new ATOM 259 N LYS A 20 8.976 -12.408 -6.112 1.00 0.00 N ATOM 260 CA LYS A 20 9.220 -10.979 -6.266 1.00 0.00 C ATOM 261 C LYS A 20 9.783 -10.381 -4.981 1.00 0.00 C ATOM 262 O LYS A 20 9.919 -11.071 -3.970 1.00 0.00 O ATOM 263 CB LYS A 20 7.926 -10.258 -6.652 1.00 0.00 C ATOM 264 CG LYS A 20 7.689 -10.194 -8.151 1.00 0.00 C ATOM 265 CD LYS A 20 7.914 -11.545 -8.809 1.00 0.00 C ATOM 266 CE LYS A 20 7.229 -11.624 -10.165 1.00 0.00 C ATOM 267 NZ LYS A 20 7.836 -12.672 -11.032 1.00 0.00 N ATOM 0 H LYS A 20 7.998 -12.682 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 20 9.954 -10.845 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.084 -10.764 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.952 -9.244 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.670 -9.859 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.357 -9.456 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.983 -11.719 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.534 -12.335 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.169 -11.837 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.296 -10.657 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.260 -12.789 -11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.800 -12.387 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.872 -13.573 -10.514 1.00 0.00 H new ATOM 281 N LYS A 21 10.108 -9.093 -5.025 1.00 0.00 N ATOM 282 CA LYS A 21 10.654 -8.401 -3.864 1.00 0.00 C ATOM 283 C LYS A 21 10.126 -6.972 -3.784 1.00 0.00 C ATOM 284 O LYS A 21 9.532 -6.466 -4.737 1.00 0.00 O ATOM 285 CB LYS A 21 12.183 -8.388 -3.925 1.00 0.00 C ATOM 286 CG LYS A 21 12.813 -9.748 -3.679 1.00 0.00 C ATOM 287 CD LYS A 21 14.158 -9.873 -4.375 1.00 0.00 C ATOM 288 CE LYS A 21 13.997 -9.989 -5.883 1.00 0.00 C ATOM 289 NZ LYS A 21 15.271 -10.377 -6.549 1.00 0.00 N ATOM 0 H LYS A 21 10.002 -8.507 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 21 10.336 -8.938 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.496 -8.023 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.562 -7.682 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.941 -9.902 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.143 -10.530 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.773 -9.004 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.685 -10.749 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.229 -10.728 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.652 -9.037 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.119 -10.445 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.998 -9.659 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.587 -11.298 -6.184 1.00 0.00 H new ATOM 303 N ARG A 22 10.347 -6.327 -2.644 1.00 0.00 N ATOM 304 CA ARG A 22 9.894 -4.957 -2.441 1.00 0.00 C ATOM 305 C ARG A 22 10.456 -4.033 -3.517 1.00 0.00 C ATOM 306 O ARG A 22 9.732 -3.219 -4.090 1.00 0.00 O ATOM 307 CB ARG A 22 10.311 -4.458 -1.056 1.00 0.00 C ATOM 308 CG ARG A 22 11.817 -4.375 -0.867 1.00 0.00 C ATOM 309 CD ARG A 22 12.186 -4.190 0.596 1.00 0.00 C ATOM 310 NE ARG A 22 13.586 -3.807 0.764 1.00 0.00 N ATOM 311 CZ ARG A 22 14.092 -3.353 1.905 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.317 -3.227 2.974 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.375 -3.025 1.979 1.00 0.00 N ATOM 0 H ARG A 22 10.837 -6.732 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 22 8.806 -4.947 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.877 -3.472 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.894 -5.122 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.283 -5.283 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.213 -3.544 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.546 -3.426 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.996 -5.117 1.138 1.00 0.00 H new ATOM 0 HE ARG A 22 14.209 -3.893 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.330 -3.479 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.708 -2.878 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.974 -3.121 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.763 -2.676 2.856 1.00 0.00 H new ATOM 327 N GLU A 23 11.752 -4.164 -3.784 1.00 0.00 N ATOM 328 CA GLU A 23 12.411 -3.340 -4.790 1.00 0.00 C ATOM 329 C GLU A 23 11.641 -3.370 -6.108 1.00 0.00 C ATOM 330 O GLU A 23 11.507 -2.350 -6.783 1.00 0.00 O ATOM 331 CB GLU A 23 13.846 -3.819 -5.014 1.00 0.00 C ATOM 332 CG GLU A 23 13.942 -5.272 -5.448 1.00 0.00 C ATOM 333 CD GLU A 23 15.371 -5.778 -5.484 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.281 -4.964 -5.746 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.579 -6.987 -5.250 1.00 0.00 O ATOM 0 H GLU A 23 12.365 -4.832 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 23 12.432 -2.313 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.316 -3.191 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.413 -3.686 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.359 -5.890 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.497 -5.382 -6.437 1.00 0.00 H new ATOM 342 N GLU A 24 11.139 -4.547 -6.466 1.00 0.00 N ATOM 343 CA GLU A 24 10.385 -4.711 -7.703 1.00 0.00 C ATOM 344 C GLU A 24 8.976 -4.140 -7.561 1.00 0.00 C ATOM 345 O GLU A 24 8.531 -3.344 -8.388 1.00 0.00 O ATOM 346 CB GLU A 24 10.311 -6.189 -8.090 1.00 0.00 C ATOM 347 CG GLU A 24 11.627 -6.751 -8.602 1.00 0.00 C ATOM 348 CD GLU A 24 11.921 -6.339 -10.032 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.118 -5.130 -10.273 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.953 -7.227 -10.909 1.00 0.00 O ATOM 0 H GLU A 24 11.241 -5.401 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 24 10.904 -4.163 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.991 -6.767 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.548 -6.317 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.438 -6.413 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.602 -7.839 -8.539 1.00 0.00 H new ATOM 357 N ILE A 25 8.281 -4.554 -6.507 1.00 0.00 N ATOM 358 CA ILE A 25 6.924 -4.084 -6.256 1.00 0.00 C ATOM 359 C ILE A 25 6.837 -2.566 -6.375 1.00 0.00 C ATOM 360 O ILE A 25 6.044 -2.038 -7.155 1.00 0.00 O ATOM 361 CB ILE A 25 6.431 -4.508 -4.859 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.491 -6.030 -4.714 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.016 -4.002 -4.622 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.735 -6.491 -3.294 1.00 0.00 C ATOM 0 H ILE A 25 8.635 -5.213 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 25 6.286 -4.542 -7.012 1.00 0.00 H new ATOM 0 HB ILE A 25 7.085 -4.065 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.554 -6.458 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.283 -6.417 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.681 -4.309 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.003 -2.914 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.349 -4.420 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.766 -7.580 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.686 -6.092 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.930 -6.134 -2.652 1.00 0.00 H new ATOM 376 N LEU A 26 7.658 -1.870 -5.597 1.00 0.00 N ATOM 377 CA LEU A 26 7.675 -0.411 -5.615 1.00 0.00 C ATOM 378 C LEU A 26 7.593 0.116 -7.044 1.00 0.00 C ATOM 379 O LEU A 26 6.627 0.783 -7.415 1.00 0.00 O ATOM 380 CB LEU A 26 8.944 0.112 -4.939 1.00 0.00 C ATOM 381 CG LEU A 26 9.241 1.600 -5.129 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.594 2.419 -4.024 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.743 1.843 -5.166 1.00 0.00 C ATOM 0 H LEU A 26 8.320 -2.292 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 26 6.804 -0.055 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.872 -0.090 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.793 -0.458 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 26 8.818 1.917 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.816 3.475 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.515 2.269 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.986 2.101 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.936 2.907 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.189 1.510 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.181 1.286 -5.994 1.00 0.00 H new ATOM 395 N GLU A 27 8.611 -0.190 -7.842 1.00 0.00 N ATOM 396 CA GLU A 27 8.652 0.253 -9.231 1.00 0.00 C ATOM 397 C GLU A 27 7.321 -0.014 -9.927 1.00 0.00 C ATOM 398 O GLU A 27 6.706 0.896 -10.482 1.00 0.00 O ATOM 399 CB GLU A 27 9.783 -0.454 -9.982 1.00 0.00 C ATOM 400 CG GLU A 27 10.377 0.375 -11.108 1.00 0.00 C ATOM 401 CD GLU A 27 11.156 1.574 -10.602 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.572 1.558 -9.425 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.349 2.528 -11.385 1.00 0.00 O ATOM 0 H GLU A 27 9.418 -0.742 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 27 8.837 1.327 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.572 -0.710 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.406 -1.391 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.034 -0.253 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.576 0.717 -11.764 1.00 0.00 H new ATOM 410 N GLU A 28 6.883 -1.269 -9.892 1.00 0.00 N ATOM 411 CA GLU A 28 5.625 -1.656 -10.520 1.00 0.00 C ATOM 412 C GLU A 28 4.476 -0.787 -10.018 1.00 0.00 C ATOM 413 O GLU A 28 3.444 -0.662 -10.678 1.00 0.00 O ATOM 414 CB GLU A 28 5.324 -3.130 -10.243 1.00 0.00 C ATOM 415 CG GLU A 28 5.936 -4.078 -11.260 1.00 0.00 C ATOM 416 CD GLU A 28 5.684 -3.642 -12.691 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.523 -3.322 -13.018 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.650 -3.620 -13.482 1.00 0.00 O ATOM 0 H GLU A 28 7.380 -2.034 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 28 5.725 -1.509 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.694 -3.387 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.244 -3.275 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.010 -4.144 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.527 -5.077 -11.111 1.00 0.00 H new ATOM 425 N ILE A 29 4.662 -0.191 -8.845 1.00 0.00 N ATOM 426 CA ILE A 29 3.642 0.666 -8.254 1.00 0.00 C ATOM 427 C ILE A 29 3.822 2.116 -8.690 1.00 0.00 C ATOM 428 O ILE A 29 2.850 2.814 -8.976 1.00 0.00 O ATOM 429 CB ILE A 29 3.670 0.597 -6.715 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.222 -0.786 -6.237 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.786 1.682 -6.120 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.890 -1.219 -6.807 1.00 0.00 C ATOM 0 H ILE A 29 5.509 -0.286 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 29 2.679 0.299 -8.608 1.00 0.00 H new ATOM 0 HB ILE A 29 4.693 0.764 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.981 -1.519 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.159 -0.783 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.816 1.620 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.147 2.660 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.760 1.544 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.635 -2.208 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.119 -0.507 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.954 -1.255 -7.895 1.00 0.00 H new ATOM 444 N ALA A 30 5.073 2.562 -8.739 1.00 0.00 N ATOM 445 CA ALA A 30 5.381 3.928 -9.144 1.00 0.00 C ATOM 446 C ALA A 30 4.778 4.246 -10.508 1.00 0.00 C ATOM 447 O ALA A 30 4.707 5.407 -10.912 1.00 0.00 O ATOM 448 CB ALA A 30 6.887 4.145 -9.167 1.00 0.00 C ATOM 0 H ALA A 30 5.889 1.997 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 30 4.938 4.605 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.102 5.169 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.295 3.968 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.344 3.453 -9.874 1.00 0.00 H new ATOM 454 N LYS A 31 4.346 3.207 -11.215 1.00 0.00 N ATOM 455 CA LYS A 31 3.749 3.375 -12.535 1.00 0.00 C ATOM 456 C LYS A 31 2.234 3.209 -12.471 1.00 0.00 C ATOM 457 O LYS A 31 1.486 4.042 -12.982 1.00 0.00 O ATOM 458 CB LYS A 31 4.342 2.363 -13.518 1.00 0.00 C ATOM 459 CG LYS A 31 4.544 0.981 -12.921 1.00 0.00 C ATOM 460 CD LYS A 31 5.196 0.034 -13.915 1.00 0.00 C ATOM 461 CE LYS A 31 6.683 0.318 -14.063 1.00 0.00 C ATOM 462 NZ LYS A 31 7.382 -0.762 -14.813 1.00 0.00 N ATOM 0 H LYS A 31 4.398 2.240 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 31 3.973 4.384 -12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.685 2.283 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.300 2.738 -13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.165 1.057 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.582 0.575 -12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.052 -0.995 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.708 0.130 -14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.822 1.268 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.133 0.424 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.409 -0.602 -14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.160 -1.683 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.066 -0.757 -15.804 1.00 0.00 H new ATOM 476 N VAL A 32 1.787 2.128 -11.839 1.00 0.00 N ATOM 477 CA VAL A 32 0.362 1.854 -11.706 1.00 0.00 C ATOM 478 C VAL A 32 -0.322 2.908 -10.842 1.00 0.00 C ATOM 479 O VAL A 32 -1.502 3.208 -11.025 1.00 0.00 O ATOM 480 CB VAL A 32 0.112 0.463 -11.094 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.918 -0.597 -11.828 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.447 0.466 -9.610 1.00 0.00 C ATOM 0 H VAL A 32 2.392 1.428 -11.411 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.060 1.882 -12.710 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.945 0.222 -11.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.728 -1.573 -11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.625 -0.615 -12.878 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.980 -0.364 -11.752 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.264 -0.525 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.496 0.729 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.179 1.196 -9.097 1.00 0.00 H new ATOM 492 N THR A 33 0.428 3.469 -9.898 1.00 0.00 N ATOM 493 CA THR A 33 -0.106 4.489 -9.004 1.00 0.00 C ATOM 494 C THR A 33 0.926 5.578 -8.736 1.00 0.00 C ATOM 495 O THR A 33 1.944 5.335 -8.088 1.00 0.00 O ATOM 496 CB THR A 33 -0.555 3.881 -7.662 1.00 0.00 C ATOM 497 OG1 THR A 33 0.576 3.353 -6.960 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.580 2.779 -7.883 1.00 0.00 C ATOM 0 H THR A 33 1.407 3.234 -9.733 1.00 0.00 H new ATOM 0 HA THR A 33 -0.971 4.926 -9.503 1.00 0.00 H new ATOM 0 HB THR A 33 -1.015 4.670 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.389 3.814 -7.256 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.882 2.365 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.452 3.190 -8.391 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.141 1.991 -8.495 1.00 0.00 H new ATOM 506 N GLU A 34 0.656 6.779 -9.237 1.00 0.00 N ATOM 507 CA GLU A 34 1.563 7.906 -9.050 1.00 0.00 C ATOM 508 C GLU A 34 1.314 8.588 -7.708 1.00 0.00 C ATOM 509 O GLU A 34 0.185 8.957 -7.387 1.00 0.00 O ATOM 510 CB GLU A 34 1.398 8.917 -10.187 1.00 0.00 C ATOM 511 CG GLU A 34 2.091 8.504 -11.475 1.00 0.00 C ATOM 512 CD GLU A 34 2.071 9.597 -12.525 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.587 10.699 -12.244 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.540 9.350 -13.628 1.00 0.00 O ATOM 0 H GLU A 34 -0.183 6.997 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 34 2.583 7.523 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.335 9.058 -10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.793 9.881 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.124 8.234 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.606 7.613 -11.874 1.00 0.00 H new ATOM 521 N GLY A 35 2.378 8.752 -6.928 1.00 0.00 N ATOM 522 CA GLY A 35 2.254 9.389 -5.630 1.00 0.00 C ATOM 523 C GLY A 35 2.784 8.521 -4.505 1.00 0.00 C ATOM 524 O GLY A 35 2.616 8.844 -3.330 1.00 0.00 O ATOM 0 H GLY A 35 3.323 8.455 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.795 10.335 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.206 9.622 -5.442 1.00 0.00 H new ATOM 528 N VAL A 36 3.424 7.413 -4.866 1.00 0.00 N ATOM 529 CA VAL A 36 3.979 6.495 -3.879 1.00 0.00 C ATOM 530 C VAL A 36 5.295 7.021 -3.318 1.00 0.00 C ATOM 531 O VAL A 36 5.991 7.803 -3.967 1.00 0.00 O ATOM 532 CB VAL A 36 4.213 5.097 -4.482 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.060 4.709 -5.395 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.536 5.056 -5.233 1.00 0.00 C ATOM 0 H VAL A 36 3.571 7.130 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 36 3.249 6.418 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 36 4.260 4.373 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.243 3.719 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.132 4.696 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.978 5.434 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.686 4.061 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.520 5.791 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.351 5.287 -4.547 1.00 0.00 H new ATOM 544 N LEU A 37 5.632 6.587 -2.109 1.00 0.00 N ATOM 545 CA LEU A 37 6.866 7.014 -1.459 1.00 0.00 C ATOM 546 C LEU A 37 7.833 5.844 -1.304 1.00 0.00 C ATOM 547 O LEU A 37 9.008 5.946 -1.658 1.00 0.00 O ATOM 548 CB LEU A 37 6.561 7.622 -0.089 1.00 0.00 C ATOM 549 CG LEU A 37 7.523 8.708 0.394 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.575 9.856 -0.602 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.113 9.211 1.770 1.00 0.00 C ATOM 0 H LEU A 37 5.068 5.939 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 37 7.336 7.770 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.555 8.042 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.552 6.819 0.648 1.00 0.00 H new ATOM 0 HG LEU A 37 8.520 8.275 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.265 10.619 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.917 9.485 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.580 10.288 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.809 9.983 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.107 9.627 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.129 8.384 2.479 1.00 0.00 H new ATOM 563 N ASP A 38 7.330 4.734 -0.775 1.00 0.00 N ATOM 564 CA ASP A 38 8.148 3.543 -0.577 1.00 0.00 C ATOM 565 C ASP A 38 7.273 2.314 -0.355 1.00 0.00 C ATOM 566 O ASP A 38 6.095 2.430 -0.018 1.00 0.00 O ATOM 567 CB ASP A 38 9.089 3.737 0.613 1.00 0.00 C ATOM 568 CG ASP A 38 10.313 2.846 0.535 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.108 3.011 -0.414 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.477 1.984 1.423 1.00 0.00 O ATOM 0 H ASP A 38 6.360 4.634 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 38 8.742 3.386 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.404 4.779 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.550 3.528 1.537 1.00 0.00 H new ATOM 575 N VAL A 39 7.857 1.135 -0.547 1.00 0.00 N ATOM 576 CA VAL A 39 7.131 -0.116 -0.367 1.00 0.00 C ATOM 577 C VAL A 39 7.790 -0.986 0.697 1.00 0.00 C ATOM 578 O VAL A 39 9.016 -1.032 0.805 1.00 0.00 O ATOM 579 CB VAL A 39 7.048 -0.911 -1.684 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.693 -2.364 -1.410 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.037 -0.275 -2.627 1.00 0.00 C ATOM 0 H VAL A 39 8.831 1.021 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 39 6.123 0.147 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 39 8.026 -0.886 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.639 -2.909 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.457 -2.812 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.728 -2.414 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.991 -0.849 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.054 -0.267 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.340 0.748 -2.850 1.00 0.00 H new ATOM 591 N ILE A 40 6.968 -1.675 1.482 1.00 0.00 N ATOM 592 CA ILE A 40 7.471 -2.546 2.537 1.00 0.00 C ATOM 593 C ILE A 40 7.000 -3.982 2.337 1.00 0.00 C ATOM 594 O ILE A 40 5.895 -4.222 1.852 1.00 0.00 O ATOM 595 CB ILE A 40 7.023 -2.060 3.929 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.376 -0.583 4.115 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.667 -2.905 5.017 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.306 0.362 3.613 1.00 0.00 C ATOM 0 H ILE A 40 5.951 -1.647 1.407 1.00 0.00 H new ATOM 0 HA ILE A 40 8.559 -2.513 2.481 1.00 0.00 H new ATOM 0 HB ILE A 40 5.941 -2.168 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.552 -0.390 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.309 -0.372 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.341 -2.550 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.371 -3.946 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.752 -2.825 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.624 1.392 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.146 0.197 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.377 0.179 4.152 1.00 0.00 H new ATOM 806 N PHE A 54 1.721 -10.526 -0.082 1.00 0.00 N ATOM 807 CA PHE A 54 1.194 -9.174 0.071 1.00 0.00 C ATOM 808 C PHE A 54 2.328 -8.159 0.179 1.00 0.00 C ATOM 809 O PHE A 54 3.492 -8.526 0.333 1.00 0.00 O ATOM 810 CB PHE A 54 0.298 -9.090 1.308 1.00 0.00 C ATOM 811 CG PHE A 54 0.220 -7.711 1.898 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.239 -7.229 2.704 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.872 -6.896 1.647 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.169 -5.961 3.248 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.948 -5.627 2.189 1.00 0.00 C ATOM 816 CZ PHE A 54 0.075 -5.158 2.990 1.00 0.00 C ATOM 0 HA PHE A 54 0.602 -8.938 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.706 -9.421 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.671 -9.780 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.097 -7.851 2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.674 -7.257 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.970 -5.598 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.806 -5.003 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.020 -4.166 3.413 1.00 0.00 H new ATOM 826 N ALA A 55 1.977 -6.879 0.098 1.00 0.00 N ATOM 827 CA ALA A 55 2.964 -5.810 0.188 1.00 0.00 C ATOM 828 C ALA A 55 2.321 -4.508 0.655 1.00 0.00 C ATOM 829 O ALA A 55 1.110 -4.323 0.533 1.00 0.00 O ATOM 830 CB ALA A 55 3.649 -5.609 -1.155 1.00 0.00 C ATOM 0 H ALA A 55 1.017 -6.558 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 55 3.712 -6.101 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.383 -4.808 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.150 -6.531 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.905 -5.344 -1.907 1.00 0.00 H new ATOM 836 N PHE A 56 3.139 -3.609 1.192 1.00 0.00 N ATOM 837 CA PHE A 56 2.650 -2.325 1.680 1.00 0.00 C ATOM 838 C PHE A 56 3.150 -1.183 0.801 1.00 0.00 C ATOM 839 O PHE A 56 4.342 -1.084 0.511 1.00 0.00 O ATOM 840 CB PHE A 56 3.094 -2.102 3.127 1.00 0.00 C ATOM 841 CG PHE A 56 2.110 -2.611 4.142 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.824 -2.099 4.196 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.472 -3.601 5.041 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.084 -2.565 5.128 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.569 -4.071 5.975 1.00 0.00 C ATOM 846 CZ PHE A 56 0.289 -3.552 6.020 1.00 0.00 C ATOM 0 H PHE A 56 4.144 -3.746 1.300 1.00 0.00 H new ATOM 0 HA PHE A 56 1.561 -2.341 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.053 -2.595 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.253 -1.036 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.527 -1.327 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.471 -4.010 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.084 -2.158 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.863 -4.844 6.670 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.418 -3.917 6.750 1.00 0.00 H new ATOM 856 N VAL A 57 2.229 -0.322 0.378 1.00 0.00 N ATOM 857 CA VAL A 57 2.575 0.814 -0.468 1.00 0.00 C ATOM 858 C VAL A 57 2.276 2.133 0.234 1.00 0.00 C ATOM 859 O VAL A 57 1.119 2.538 0.348 1.00 0.00 O ATOM 860 CB VAL A 57 1.811 0.771 -1.805 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.546 1.577 -2.865 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.612 -0.667 -2.259 1.00 0.00 C ATOM 0 H VAL A 57 1.238 -0.390 0.608 1.00 0.00 H new ATOM 0 HA VAL A 57 3.645 0.747 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 57 0.829 1.220 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.992 1.535 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.631 2.614 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.542 1.160 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.071 -0.678 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.583 -1.145 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.040 -1.210 -1.507 1.00 0.00 H new ATOM 872 N GLU A 58 3.326 2.799 0.704 1.00 0.00 N ATOM 873 CA GLU A 58 3.175 4.074 1.395 1.00 0.00 C ATOM 874 C GLU A 58 3.066 5.224 0.399 1.00 0.00 C ATOM 875 O GLU A 58 3.767 5.251 -0.613 1.00 0.00 O ATOM 876 CB GLU A 58 4.356 4.311 2.338 1.00 0.00 C ATOM 877 CG GLU A 58 4.001 5.136 3.564 1.00 0.00 C ATOM 878 CD GLU A 58 5.187 5.903 4.116 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.849 6.615 3.331 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.454 5.791 5.330 1.00 0.00 O ATOM 0 H GLU A 58 4.290 2.477 0.619 1.00 0.00 H new ATOM 0 HA GLU A 58 2.255 4.035 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.751 3.348 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.152 4.815 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.207 5.838 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.607 4.478 4.338 1.00 0.00 H new ATOM 887 N TYR A 59 2.183 6.172 0.693 1.00 0.00 N ATOM 888 CA TYR A 59 1.980 7.324 -0.178 1.00 0.00 C ATOM 889 C TYR A 59 2.160 8.628 0.592 1.00 0.00 C ATOM 890 O TYR A 59 1.564 8.823 1.651 1.00 0.00 O ATOM 891 CB TYR A 59 0.584 7.277 -0.803 1.00 0.00 C ATOM 892 CG TYR A 59 0.401 6.146 -1.791 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.095 4.862 -1.358 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.533 6.363 -3.157 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.073 3.827 -2.256 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.365 5.334 -4.063 1.00 0.00 C ATOM 897 CZ TYR A 59 0.063 4.067 -3.608 1.00 0.00 C ATOM 898 OH TYR A 59 -0.105 3.039 -4.506 1.00 0.00 O ATOM 0 H TYR A 59 1.596 6.166 1.527 1.00 0.00 H new ATOM 0 HA TYR A 59 2.728 7.285 -0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.157 7.179 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.388 8.224 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.013 4.670 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.771 7.353 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.310 2.834 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.469 5.520 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 59 0.440 3.209 -5.303 1.00 0.00 H new ATOM 908 N GLU A 60 2.987 9.518 0.051 1.00 0.00 N ATOM 909 CA GLU A 60 3.247 10.804 0.688 1.00 0.00 C ATOM 910 C GLU A 60 1.948 11.572 0.912 1.00 0.00 C ATOM 911 O GLU A 60 1.696 12.082 2.003 1.00 0.00 O ATOM 912 CB GLU A 60 4.204 11.637 -0.167 1.00 0.00 C ATOM 913 CG GLU A 60 3.732 11.828 -1.599 1.00 0.00 C ATOM 914 CD GLU A 60 4.754 12.546 -2.459 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.377 13.507 -1.961 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.931 12.147 -3.629 1.00 0.00 O ATOM 0 H GLU A 60 3.488 9.372 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 60 3.709 10.614 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.335 12.615 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.182 11.155 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.513 10.855 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.801 12.395 -1.598 1.00 0.00 H new ATOM 923 N SER A 61 1.127 11.651 -0.131 1.00 0.00 N ATOM 924 CA SER A 61 -0.145 12.360 -0.050 1.00 0.00 C ATOM 925 C SER A 61 -1.264 11.422 0.392 1.00 0.00 C ATOM 926 O SER A 61 -1.611 10.476 -0.315 1.00 0.00 O ATOM 927 CB SER A 61 -0.491 12.984 -1.404 1.00 0.00 C ATOM 928 OG SER A 61 -1.741 13.650 -1.353 1.00 0.00 O ATOM 0 H SER A 61 1.320 11.233 -1.041 1.00 0.00 H new ATOM 0 HA SER A 61 -0.045 13.152 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.289 13.689 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.519 12.208 -2.169 1.00 0.00 H new ATOM 0 HG SER A 61 -1.939 14.042 -2.229 1.00 0.00 H new ATOM 934 N HIS A 62 -1.824 11.692 1.567 1.00 0.00 N ATOM 935 CA HIS A 62 -2.905 10.873 2.104 1.00 0.00 C ATOM 936 C HIS A 62 -3.917 10.528 1.017 1.00 0.00 C ATOM 937 O HIS A 62 -4.581 9.493 1.080 1.00 0.00 O ATOM 938 CB HIS A 62 -3.602 11.602 3.254 1.00 0.00 C ATOM 939 CG HIS A 62 -4.391 10.695 4.147 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.286 9.760 3.669 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.415 10.581 5.495 1.00 0.00 C ATOM 942 CE1 HIS A 62 -5.827 9.113 4.686 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.315 9.592 5.805 1.00 0.00 N ATOM 0 H HIS A 62 -1.547 12.471 2.165 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.473 9.946 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.853 12.123 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.267 12.361 2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.497 9.594 2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.834 11.161 6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.563 8.326 4.614 1.00 0.00 H new ATOM 951 N ARG A 63 -4.030 11.401 0.021 1.00 0.00 N ATOM 952 CA ARG A 63 -4.964 11.189 -1.079 1.00 0.00 C ATOM 953 C ARG A 63 -4.345 10.298 -2.152 1.00 0.00 C ATOM 954 O ARG A 63 -5.007 9.414 -2.696 1.00 0.00 O ATOM 955 CB ARG A 63 -5.378 12.529 -1.689 1.00 0.00 C ATOM 956 CG ARG A 63 -6.270 12.391 -2.912 1.00 0.00 C ATOM 957 CD ARG A 63 -7.686 11.992 -2.526 1.00 0.00 C ATOM 958 NE ARG A 63 -8.348 13.024 -1.732 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.666 13.112 -1.593 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.459 12.234 -2.192 1.00 0.00 N ATOM 961 NH2 ARG A 63 -10.194 14.080 -0.854 1.00 0.00 N ATOM 0 H ARG A 63 -3.487 12.262 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.848 10.690 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.900 13.117 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.482 13.086 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.292 13.335 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.851 11.644 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.267 11.800 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.659 11.061 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.766 13.715 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.057 11.489 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.471 12.304 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.587 14.757 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.206 14.146 -0.748 1.00 0.00 H new ATOM 975 N ALA A 64 -3.073 10.537 -2.452 1.00 0.00 N ATOM 976 CA ALA A 64 -2.365 9.756 -3.458 1.00 0.00 C ATOM 977 C ALA A 64 -2.714 8.276 -3.350 1.00 0.00 C ATOM 978 O ALA A 64 -2.762 7.565 -4.353 1.00 0.00 O ATOM 979 CB ALA A 64 -0.863 9.958 -3.323 1.00 0.00 C ATOM 0 H ALA A 64 -2.511 11.266 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.680 10.105 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.347 9.369 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.624 11.013 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.540 9.638 -2.332 1.00 0.00 H new ATOM 985 N ALA A 65 -2.956 7.818 -2.126 1.00 0.00 N ATOM 986 CA ALA A 65 -3.302 6.422 -1.887 1.00 0.00 C ATOM 987 C ALA A 65 -4.787 6.175 -2.130 1.00 0.00 C ATOM 988 O ALA A 65 -5.167 5.191 -2.762 1.00 0.00 O ATOM 989 CB ALA A 65 -2.922 6.019 -0.470 1.00 0.00 C ATOM 0 H ALA A 65 -2.919 8.393 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.739 5.808 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.186 4.974 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.849 6.148 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.459 6.645 0.243 1.00 0.00 H new ATOM 995 N ALA A 66 -5.622 7.076 -1.622 1.00 0.00 N ATOM 996 CA ALA A 66 -7.066 6.956 -1.785 1.00 0.00 C ATOM 997 C ALA A 66 -7.449 6.900 -3.259 1.00 0.00 C ATOM 998 O ALA A 66 -8.381 6.193 -3.641 1.00 0.00 O ATOM 999 CB ALA A 66 -7.772 8.116 -1.098 1.00 0.00 C ATOM 0 H ALA A 66 -5.324 7.896 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.384 6.023 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.849 8.014 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.532 8.110 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.441 9.056 -1.539 1.00 0.00 H new ATOM 1005 N MET A 67 -6.725 7.650 -4.084 1.00 0.00 N ATOM 1006 CA MET A 67 -6.990 7.684 -5.517 1.00 0.00 C ATOM 1007 C MET A 67 -6.230 6.575 -6.237 1.00 0.00 C ATOM 1008 O MET A 67 -6.643 6.117 -7.303 1.00 0.00 O ATOM 1009 CB MET A 67 -6.600 9.045 -6.097 1.00 0.00 C ATOM 1010 CG MET A 67 -5.126 9.376 -5.932 1.00 0.00 C ATOM 1011 SD MET A 67 -4.628 10.822 -6.887 1.00 0.00 S ATOM 1012 CE MET A 67 -3.113 10.229 -7.636 1.00 0.00 C ATOM 0 H MET A 67 -5.950 8.242 -3.784 1.00 0.00 H new ATOM 0 HA MET A 67 -8.058 7.525 -5.668 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.852 9.065 -7.157 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.194 9.820 -5.614 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.913 9.551 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.528 8.518 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.684 11.013 -8.259 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.403 9.957 -6.855 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.329 9.355 -8.250 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.118 6.147 -5.648 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.302 5.090 -6.233 1.00 0.00 C ATOM 1024 C ALA A 68 -4.994 3.736 -6.121 1.00 0.00 C ATOM 1025 O ALA A 68 -4.883 2.896 -7.014 1.00 0.00 O ATOM 1026 CB ALA A 68 -2.937 5.045 -5.562 1.00 0.00 C ATOM 0 H ALA A 68 -4.762 6.516 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.167 5.313 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.338 4.251 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.432 6.001 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.061 4.850 -4.497 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.707 3.531 -5.018 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.416 2.278 -4.789 1.00 0.00 C ATOM 1034 C ARG A 69 -7.671 2.197 -5.652 1.00 0.00 C ATOM 1035 O ARG A 69 -8.023 1.129 -6.154 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.790 2.142 -3.312 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.744 3.220 -2.824 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.194 2.783 -2.959 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.492 1.612 -2.139 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.724 1.238 -1.811 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.767 1.940 -2.232 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -10.914 0.160 -1.061 1.00 0.00 N ATOM 0 H ARG A 69 -5.809 4.216 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.753 1.459 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.245 1.165 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.881 2.174 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.529 3.453 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.584 4.135 -3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.849 3.605 -2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.409 2.558 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.711 1.050 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.624 2.769 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.712 1.651 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.114 -0.382 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.860 -0.126 -0.810 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.342 3.332 -5.820 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.559 3.389 -6.620 1.00 0.00 C ATOM 1058 C ARG A 70 -9.283 2.966 -8.060 1.00 0.00 C ATOM 1059 O ARG A 70 -10.207 2.763 -8.848 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.145 4.802 -6.596 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.299 4.999 -7.566 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.132 6.218 -7.200 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.237 6.426 -8.132 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.169 7.357 -7.970 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.131 8.163 -6.918 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.143 7.485 -8.862 1.00 0.00 N ATOM 0 H ARG A 70 -8.063 4.224 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.281 2.696 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.488 5.027 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.357 5.517 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.910 5.113 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.931 4.111 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.527 6.098 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.495 7.102 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.296 5.823 -8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.384 8.069 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.849 8.877 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.176 6.868 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.859 8.201 -8.736 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.004 2.835 -8.398 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.604 2.436 -9.742 1.00 0.00 C ATOM 1082 C LYS A 71 -7.286 0.945 -9.794 1.00 0.00 C ATOM 1083 O LYS A 71 -7.516 0.286 -10.809 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.387 3.245 -10.196 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.968 2.961 -11.628 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.623 3.591 -11.950 1.00 0.00 C ATOM 1087 CE LYS A 71 -4.014 2.991 -13.209 1.00 0.00 C ATOM 1088 NZ LYS A 71 -3.079 3.938 -13.877 1.00 0.00 N ATOM 0 H LYS A 71 -7.227 3.000 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.436 2.636 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.609 4.307 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.550 3.030 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.913 1.884 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.724 3.345 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.745 4.666 -12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.942 3.447 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.482 2.074 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.809 2.716 -13.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.685 3.493 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.592 4.803 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.306 4.181 -13.225 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.757 0.419 -8.695 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.408 -0.995 -8.616 1.00 0.00 C ATOM 1104 C LEU A 72 -7.507 -1.789 -7.917 1.00 0.00 C ATOM 1105 O LEU A 72 -7.443 -3.015 -7.831 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.083 -1.173 -7.871 1.00 0.00 C ATOM 1107 CG LEU A 72 -3.960 -0.211 -8.261 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.698 -0.515 -7.470 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.686 -0.289 -9.756 1.00 0.00 C ATOM 0 H LEU A 72 -6.560 0.950 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.301 -1.374 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.272 -1.065 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.733 -2.193 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.278 0.804 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.910 0.180 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.902 -0.407 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.376 -1.536 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.884 0.402 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.389 -1.304 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.588 -0.021 -10.306 1.00 0.00 H new ATOM 1121 N MET A 73 -8.516 -1.081 -7.420 1.00 0.00 N ATOM 1122 CA MET A 73 -9.632 -1.720 -6.732 1.00 0.00 C ATOM 1123 C MET A 73 -10.335 -2.718 -7.646 1.00 0.00 C ATOM 1124 O MET A 73 -10.549 -3.877 -7.290 1.00 0.00 O ATOM 1125 CB MET A 73 -10.629 -0.667 -6.245 1.00 0.00 C ATOM 1126 CG MET A 73 -11.276 -1.012 -4.913 1.00 0.00 C ATOM 1127 SD MET A 73 -12.230 -2.541 -4.981 1.00 0.00 S ATOM 1128 CE MET A 73 -11.299 -3.571 -3.850 1.00 0.00 C ATOM 0 H MET A 73 -8.584 -0.065 -7.481 1.00 0.00 H new ATOM 0 HA MET A 73 -9.235 -2.259 -5.872 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.117 0.291 -6.154 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.408 -0.542 -6.997 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.502 -1.104 -4.151 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.929 -0.194 -4.608 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.766 -4.554 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.277 -3.678 -4.213 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.287 -3.109 -2.863 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.702 -2.261 -8.852 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.386 -3.099 -9.841 1.00 0.00 C ATOM 1140 C PRO A 74 -10.474 -4.175 -10.419 1.00 0.00 C ATOM 1141 O PRO A 74 -10.866 -4.919 -11.317 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.793 -2.102 -10.930 1.00 0.00 C ATOM 1143 CG PRO A 74 -10.815 -0.985 -10.805 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.478 -0.891 -9.343 1.00 0.00 C ATOM 0 HA PRO A 74 -12.225 -3.641 -9.405 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.750 -2.557 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.815 -1.752 -10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.922 -1.180 -11.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.242 -0.050 -11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.447 -0.572 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.115 -0.171 -8.829 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.253 -4.253 -9.898 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.304 -5.242 -10.374 1.00 0.00 C ATOM 1154 C GLY A 75 -8.034 -5.117 -11.861 1.00 0.00 C ATOM 1155 O GLY A 75 -7.609 -6.077 -12.504 1.00 0.00 O ATOM 0 H GLY A 75 -8.904 -3.648 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.367 -5.135 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.686 -6.240 -10.160 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.284 -3.932 -12.409 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.068 -3.687 -13.829 1.00 0.00 C ATOM 1161 C ARG A 76 -6.588 -3.805 -14.183 1.00 0.00 C ATOM 1162 O ARG A 76 -6.233 -4.059 -15.334 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.586 -2.300 -14.214 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.081 -2.262 -14.486 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.416 -2.867 -15.841 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.485 -4.324 -15.788 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.566 -4.996 -15.409 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.664 -4.344 -15.053 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -11.552 -6.322 -15.387 1.00 0.00 N ATOM 0 H ARG A 76 -8.636 -3.127 -11.891 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.619 -4.442 -14.390 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.353 -1.599 -13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.055 -1.957 -15.102 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.608 -2.806 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.433 -1.231 -14.450 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.370 -2.471 -16.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.662 -2.566 -16.569 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.657 -4.856 -16.057 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.680 -3.324 -15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.493 -4.862 -14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.710 -6.828 -15.661 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.383 -6.836 -15.096 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.730 -3.617 -13.185 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.290 -3.702 -13.391 1.00 0.00 C ATOM 1185 C ILE A 77 -3.712 -4.945 -12.721 1.00 0.00 C ATOM 1186 O ILE A 77 -4.078 -5.281 -11.596 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.568 -2.456 -12.845 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -3.972 -1.215 -13.645 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.060 -2.655 -12.891 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.173 -0.494 -13.075 1.00 0.00 C ATOM 0 H ILE A 77 -6.008 -3.405 -12.227 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.128 -3.763 -14.467 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.864 -2.308 -11.806 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.128 -0.526 -13.682 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.189 -1.509 -14.672 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.564 -1.766 -12.502 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.788 -3.518 -12.283 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.747 -2.824 -13.921 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.402 0.375 -13.692 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.030 -1.167 -13.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.953 -0.169 -12.058 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.806 -5.620 -13.421 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.176 -6.824 -12.893 1.00 0.00 C ATOM 1204 C GLN A 78 -0.663 -6.652 -12.801 1.00 0.00 C ATOM 1205 O GLN A 78 -0.032 -6.121 -13.715 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.511 -8.029 -13.774 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.002 -8.305 -13.886 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.307 -9.538 -14.713 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.515 -9.452 -15.924 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.335 -10.695 -14.063 1.00 0.00 N ATOM 0 H GLN A 78 -2.492 -5.354 -14.354 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.565 -6.997 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.105 -7.863 -14.772 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.016 -8.912 -13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.421 -8.429 -12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.495 -7.442 -14.333 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.157 -10.720 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.535 -11.559 -14.568 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.088 -7.104 -11.692 1.00 0.00 N ATOM 1220 CA LEU A 79 1.351 -7.000 -11.480 1.00 0.00 C ATOM 1221 C LEU A 79 2.055 -8.296 -11.870 1.00 0.00 C ATOM 1222 O LEU A 79 1.815 -9.347 -11.275 1.00 0.00 O ATOM 1223 CB LEU A 79 1.648 -6.666 -10.017 1.00 0.00 C ATOM 1224 CG LEU A 79 1.085 -5.340 -9.504 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.281 -5.224 -8.000 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.740 -4.169 -10.221 1.00 0.00 C ATOM 0 H LEU A 79 -0.596 -7.546 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 79 1.729 -6.198 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.255 -7.470 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.729 -6.656 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 79 0.016 -5.316 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.874 -4.274 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.764 -6.044 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.345 -5.270 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.327 -3.234 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.815 -4.189 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.548 -4.244 -11.291 1.00 0.00 H new ATOM 1238 N TRP A 80 2.923 -8.214 -12.871 1.00 0.00 N ATOM 1239 CA TRP A 80 3.663 -9.380 -13.339 1.00 0.00 C ATOM 1240 C TRP A 80 2.713 -10.471 -13.819 1.00 0.00 C ATOM 1241 O TRP A 80 2.957 -11.658 -13.605 1.00 0.00 O ATOM 1242 CB TRP A 80 4.560 -9.921 -12.225 1.00 0.00 C ATOM 1243 CG TRP A 80 5.368 -8.859 -11.544 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.493 -8.251 -12.024 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.115 -8.281 -10.259 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.954 -7.330 -11.114 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.125 -7.328 -10.024 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.131 -8.473 -9.285 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.179 -6.573 -8.855 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.186 -7.723 -8.125 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.203 -6.782 -7.918 1.00 0.00 C ATOM 0 H TRP A 80 3.132 -7.352 -13.375 1.00 0.00 H new ATOM 0 HA TRP A 80 4.285 -9.071 -14.179 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.941 -10.428 -11.484 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.234 -10.669 -12.642 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.953 -8.463 -12.978 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.780 -6.743 -11.231 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.342 -9.195 -9.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.963 -5.848 -8.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.432 -7.865 -7.365 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.217 -6.211 -7.002 1.00 0.00 H new ATOM 1262 N GLY A 81 1.627 -10.062 -14.469 1.00 0.00 N ATOM 1263 CA GLY A 81 0.657 -11.018 -14.968 1.00 0.00 C ATOM 1264 C GLY A 81 -0.201 -11.604 -13.864 1.00 0.00 C ATOM 1265 O GLY A 81 -1.042 -12.468 -14.114 1.00 0.00 O ATOM 0 H GLY A 81 1.402 -9.085 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.016 -10.530 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.178 -11.824 -15.485 1.00 0.00 H new ATOM 1269 N HIS A 82 0.012 -11.134 -12.639 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.748 -11.618 -11.492 1.00 0.00 C ATOM 1271 C HIS A 82 -1.729 -10.556 -11.002 1.00 0.00 C ATOM 1272 O HIS A 82 -1.388 -9.377 -10.919 1.00 0.00 O ATOM 1273 CB HIS A 82 0.197 -12.017 -10.359 1.00 0.00 C ATOM 1274 CG HIS A 82 1.136 -13.126 -10.724 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.541 -13.580 -11.933 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.774 -13.911 -9.788 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.409 -14.620 -11.707 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.533 -14.799 -10.404 1.00 0.00 N flip ATOM 0 H HIS A 82 0.704 -10.419 -12.415 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.315 -12.494 -11.807 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.777 -11.145 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.393 -12.322 -9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.670 -13.815 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.909 -15.198 -12.470 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.116 -15.503 -9.951 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.945 -10.984 -10.681 1.00 0.00 N ATOM 1287 CA GLN A 83 -3.974 -10.069 -10.201 1.00 0.00 C ATOM 1288 C GLN A 83 -3.687 -9.629 -8.769 1.00 0.00 C ATOM 1289 O GLN A 83 -3.080 -10.368 -7.993 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.351 -10.731 -10.278 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.749 -11.456 -9.002 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.082 -12.167 -9.127 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.972 -11.721 -9.852 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.227 -13.281 -8.419 1.00 0.00 N ATOM 0 H GLN A 83 -3.242 -11.958 -10.744 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.967 -9.186 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.099 -9.970 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.359 -11.440 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.977 -12.181 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.799 -10.740 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.463 -13.615 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.102 -13.803 -8.463 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.127 -8.423 -8.427 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.917 -7.886 -7.088 1.00 0.00 C ATOM 1305 C ILE A 84 -5.157 -7.150 -6.591 1.00 0.00 C ATOM 1306 O ILE A 84 -6.035 -6.793 -7.375 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.713 -6.926 -7.049 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.689 -6.052 -8.304 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.416 -7.710 -6.916 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.644 -4.881 -8.244 1.00 0.00 C ATOM 0 H ILE A 84 -4.631 -7.800 -9.058 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.715 -8.735 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.812 -6.276 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.677 -5.677 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.935 -6.667 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.574 -7.018 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.436 -8.293 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.308 -8.381 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.573 -4.306 -9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.663 -5.248 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.385 -4.243 -7.399 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.219 -6.924 -5.283 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.349 -6.226 -4.681 1.00 0.00 C ATOM 1324 C ALA A 85 -5.875 -5.150 -3.710 1.00 0.00 C ATOM 1325 O ALA A 85 -4.832 -5.291 -3.072 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.262 -7.215 -3.972 1.00 0.00 C ATOM 0 H ALA A 85 -4.500 -7.214 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.910 -5.737 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.101 -6.681 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.636 -7.945 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.704 -7.729 -3.190 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.649 -4.074 -3.604 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.308 -2.973 -2.710 1.00 0.00 C ATOM 1334 C VAL A 86 -7.326 -2.847 -1.582 1.00 0.00 C ATOM 1335 O VAL A 86 -8.534 -2.874 -1.816 1.00 0.00 O ATOM 1336 CB VAL A 86 -6.232 -1.636 -3.470 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -5.085 -1.655 -4.469 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.552 -1.344 -4.167 1.00 0.00 C ATOM 0 H VAL A 86 -7.515 -3.941 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.328 -3.198 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.043 -0.839 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.046 -0.702 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.145 -1.815 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.240 -2.461 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.480 -0.395 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.773 -2.142 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.349 -1.285 -3.426 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.830 -2.708 -0.358 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.696 -2.575 0.808 1.00 0.00 C ATOM 1350 C ASP A 87 -7.203 -1.462 1.727 1.00 0.00 C ATOM 1351 O ASP A 87 -6.026 -1.101 1.706 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.760 -3.896 1.576 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.006 -4.009 2.432 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.030 -3.390 2.072 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.958 -4.714 3.461 1.00 0.00 O ATOM 0 H ASP A 87 -5.832 -2.684 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.696 -2.318 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.732 -4.725 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.878 -3.987 2.210 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.111 -0.921 2.532 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.768 0.153 3.458 1.00 0.00 C ATOM 1362 C TRP A 88 -7.092 -0.401 4.707 1.00 0.00 C ATOM 1363 O TRP A 88 -7.760 -0.816 5.653 1.00 0.00 O ATOM 1364 CB TRP A 88 -9.022 0.938 3.847 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.334 2.063 2.908 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.504 2.265 2.232 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.464 3.137 2.538 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.413 3.402 1.465 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.172 3.956 1.636 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.156 3.490 2.883 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.613 5.101 1.076 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.604 4.627 2.326 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.332 5.422 1.431 1.00 0.00 C ATOM 0 H TRP A 88 -9.089 -1.208 2.562 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.070 0.823 2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.872 0.257 3.881 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.894 1.339 4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.372 1.626 2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.150 3.773 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.587 2.884 3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.172 5.715 0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.594 4.908 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.872 6.306 1.013 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.763 -0.404 4.703 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.996 -0.905 5.837 1.00 0.00 C ATOM 1386 C ALA A 89 -5.501 -0.309 7.147 1.00 0.00 C ATOM 1387 O ALA A 89 -5.886 -1.036 8.062 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.517 -0.600 5.651 1.00 0.00 C ATOM 0 H ALA A 89 -5.195 -0.065 3.927 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.129 -1.986 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.957 -0.980 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.158 -1.079 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.375 0.478 5.574 1.00 0.00 H new