USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 21 CYS SG : rot -55:sc= 1.09 USER MOD Set 1.2: A 48 TYR OH : rot 53:sc= 1.44 USER MOD Single : A 10 ASN : amide:sc= -0.0021 X(o=-0.0021,f=-0.47) USER MOD Single : A 11 THR OG1 : rot 101:sc= 0.673 USER MOD Single : A 23 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-0.66) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 51:sc= 1.06 USER MOD Single : A 44 TYR OH : rot 130:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= -1.13 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.132 F(o=-0.86,f=-0.13) USER MOD Single : A 52 SER OG : rot 19:sc= 0.238 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0133 F(o=-0.54,f=-0.013) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.98) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -1.26 (180deg=-1.56) USER MOD Single : A 76 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.5!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -13.075 -12.222 3.177 1.00 1.00 N ATOM 114 CA ALA A 9 -12.499 -11.617 4.382 1.00 1.00 C ATOM 115 C ALA A 9 -13.214 -10.304 4.722 1.00 1.00 C ATOM 116 O ALA A 9 -13.661 -9.583 3.830 1.00 1.00 O ATOM 117 CB ALA A 9 -11.003 -11.357 4.140 1.00 1.00 C ATOM 0 HA ALA A 9 -12.625 -12.298 5.224 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -10.563 -10.907 5.030 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -10.500 -12.300 3.924 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -10.884 -10.680 3.294 1.00 1.00 H new ATOM 123 N ASN A 10 -13.313 -9.993 6.010 1.00 1.00 N ATOM 124 CA ASN A 10 -13.970 -8.762 6.470 1.00 1.00 C ATOM 125 C ASN A 10 -13.209 -7.532 5.973 1.00 1.00 C ATOM 126 O ASN A 10 -13.807 -6.541 5.552 1.00 1.00 O ATOM 127 CB ASN A 10 -14.028 -8.758 8.011 1.00 1.00 C ATOM 128 CG ASN A 10 -14.794 -9.983 8.508 1.00 1.00 C ATOM 129 OD1 ASN A 10 -15.805 -10.364 7.920 1.00 1.00 O ATOM 130 ND2 ASN A 10 -14.370 -10.624 9.562 1.00 1.00 N ATOM 0 H ASN A 10 -12.946 -10.576 6.762 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.982 -8.727 6.067 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -13.018 -8.759 8.421 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -14.514 -7.848 8.363 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -14.877 -11.442 9.899 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -13.531 -10.307 10.049 1.00 1.00 H new ATOM 137 N THR A 11 -11.883 -7.599 6.016 1.00 1.00 N ATOM 138 CA THR A 11 -11.037 -6.489 5.567 1.00 1.00 C ATOM 139 C THR A 11 -11.213 -6.271 4.064 1.00 1.00 C ATOM 140 O THR A 11 -11.486 -7.204 3.308 1.00 1.00 O ATOM 141 CB THR A 11 -9.559 -6.793 5.890 1.00 1.00 C ATOM 142 OG1 THR A 11 -9.181 -8.000 5.242 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.362 -6.943 7.411 1.00 1.00 C ATOM 0 H THR A 11 -11.366 -8.410 6.357 1.00 1.00 H new ATOM 0 HA THR A 11 -11.334 -5.580 6.090 1.00 1.00 H new ATOM 0 HB THR A 11 -8.939 -5.969 5.536 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.670 -7.791 4.433 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.314 -7.157 7.623 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.651 -6.017 7.908 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.981 -7.761 7.779 1.00 1.00 H new ATOM 151 N LEU A 12 -11.055 -5.024 3.631 1.00 1.00 N ATOM 152 CA LEU A 12 -11.206 -4.661 2.211 1.00 1.00 C ATOM 153 C LEU A 12 -9.940 -5.022 1.431 1.00 1.00 C ATOM 154 O LEU A 12 -9.894 -4.902 0.207 1.00 1.00 O ATOM 155 CB LEU A 12 -11.494 -3.137 2.087 1.00 1.00 C ATOM 156 CG LEU A 12 -12.664 -2.703 3.025 1.00 1.00 C ATOM 157 CD1 LEU A 12 -12.899 -1.179 2.887 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.978 -3.472 2.685 1.00 1.00 C ATOM 0 H LEU A 12 -10.821 -4.240 4.240 1.00 1.00 H new ATOM 0 HA LEU A 12 -12.042 -5.219 1.791 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -10.596 -2.573 2.338 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.744 -2.895 1.054 1.00 1.00 H new ATOM 0 HG LEU A 12 -12.387 -2.944 4.051 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -13.716 -0.876 3.542 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -11.992 -0.644 3.167 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.155 -0.942 1.854 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.774 -3.147 3.356 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -14.265 -3.264 1.654 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.815 -4.543 2.807 1.00 1.00 H new ATOM 170 N PHE A 13 -8.906 -5.464 2.139 1.00 1.00 N ATOM 171 CA PHE A 13 -7.608 -5.848 1.525 1.00 1.00 C ATOM 172 C PHE A 13 -7.312 -7.343 1.742 1.00 1.00 C ATOM 173 O PHE A 13 -7.676 -7.923 2.766 1.00 1.00 O ATOM 174 CB PHE A 13 -6.494 -4.993 2.163 1.00 1.00 C ATOM 175 CG PHE A 13 -6.763 -3.509 1.865 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.307 -2.938 0.661 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.482 -2.712 2.780 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.567 -1.590 0.377 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.736 -1.364 2.493 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.279 -0.804 1.292 1.00 1.00 C ATOM 0 H PHE A 13 -8.928 -5.572 3.153 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.654 -5.672 0.450 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.462 -5.160 3.240 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.522 -5.286 1.766 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.755 -3.540 -0.046 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.838 -3.142 3.705 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.218 -1.157 -0.549 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.284 -0.756 3.198 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.476 0.235 1.072 1.00 1.00 H new ATOM 190 N VAL A 14 -6.641 -7.951 0.770 1.00 1.00 N ATOM 191 CA VAL A 14 -6.277 -9.396 0.824 1.00 1.00 C ATOM 192 C VAL A 14 -4.800 -9.594 0.486 1.00 1.00 C ATOM 193 O VAL A 14 -4.170 -8.747 -0.147 1.00 1.00 O ATOM 194 CB VAL A 14 -7.158 -10.198 -0.173 1.00 1.00 C ATOM 195 CG1 VAL A 14 -8.646 -10.072 0.235 1.00 1.00 C ATOM 196 CG2 VAL A 14 -6.968 -9.673 -1.625 1.00 1.00 C ATOM 0 H VAL A 14 -6.328 -7.477 -0.078 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.452 -9.760 1.836 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.854 -11.244 -0.142 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -9.264 -10.635 -0.465 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -8.782 -10.470 1.241 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -8.941 -9.023 0.217 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -7.595 -10.250 -2.305 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -7.253 -8.622 -1.672 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -5.923 -9.779 -1.916 1.00 1.00 H new ATOM 206 N ASP A 15 -4.251 -10.727 0.913 1.00 1.00 N ATOM 207 CA ASP A 15 -2.850 -11.060 0.673 1.00 1.00 C ATOM 208 C ASP A 15 -2.557 -11.222 -0.827 1.00 1.00 C ATOM 209 O ASP A 15 -3.349 -11.779 -1.588 1.00 1.00 O ATOM 210 CB ASP A 15 -2.518 -12.374 1.413 1.00 1.00 C ATOM 211 CG ASP A 15 -3.382 -13.526 0.888 1.00 1.00 C ATOM 212 OD1 ASP A 15 -4.520 -13.273 0.531 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.886 -14.641 0.846 1.00 1.00 O ATOM 0 H ASP A 15 -4.763 -11.439 1.434 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.230 -10.245 1.045 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -1.463 -12.615 1.281 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.684 -12.247 2.483 1.00 1.00 H new ATOM 218 N GLY A 16 -1.392 -10.746 -1.256 1.00 1.00 N ATOM 219 CA GLY A 16 -0.967 -10.840 -2.662 1.00 1.00 C ATOM 220 C GLY A 16 -1.470 -9.650 -3.467 1.00 1.00 C ATOM 221 O GLY A 16 -1.071 -9.467 -4.617 1.00 1.00 O ATOM 0 H GLY A 16 -0.714 -10.286 -0.648 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.121 -10.885 -2.714 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.345 -11.764 -3.099 1.00 1.00 H new ATOM 225 N GLU A 17 -2.322 -8.836 -2.853 1.00 1.00 N ATOM 226 CA GLU A 17 -2.873 -7.646 -3.519 1.00 1.00 C ATOM 227 C GLU A 17 -1.811 -6.547 -3.642 1.00 1.00 C ATOM 228 O GLU A 17 -0.961 -6.377 -2.768 1.00 1.00 O ATOM 229 CB GLU A 17 -4.079 -7.113 -2.711 1.00 1.00 C ATOM 230 CG GLU A 17 -4.775 -5.939 -3.450 1.00 1.00 C ATOM 231 CD GLU A 17 -6.008 -5.457 -2.680 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.151 -5.820 -1.524 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.793 -4.731 -3.265 1.00 1.00 O ATOM 0 H GLU A 17 -2.650 -8.972 -1.897 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.195 -7.929 -4.521 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.795 -7.918 -2.547 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.743 -6.780 -1.729 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.073 -5.114 -3.571 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.069 -6.258 -4.450 1.00 1.00 H new ATOM 240 N ARG A 18 -1.879 -5.783 -4.728 1.00 1.00 N ATOM 241 CA ARG A 18 -0.949 -4.666 -4.983 1.00 1.00 C ATOM 242 C ARG A 18 -1.615 -3.352 -4.554 1.00 1.00 C ATOM 243 O ARG A 18 -2.739 -3.046 -4.953 1.00 1.00 O ATOM 244 CB ARG A 18 -0.588 -4.621 -6.487 1.00 1.00 C ATOM 245 CG ARG A 18 0.464 -3.512 -6.773 1.00 1.00 C ATOM 246 CD ARG A 18 0.915 -3.566 -8.245 1.00 1.00 C ATOM 247 NE ARG A 18 1.601 -4.836 -8.505 1.00 1.00 N ATOM 248 CZ ARG A 18 2.071 -5.160 -9.715 1.00 1.00 C ATOM 249 NH1 ARG A 18 1.936 -4.339 -10.725 1.00 1.00 N ATOM 250 NH2 ARG A 18 2.674 -6.305 -9.888 1.00 1.00 N ATOM 0 H ARG A 18 -2.576 -5.913 -5.461 1.00 1.00 H new ATOM 0 HA ARG A 18 -0.033 -4.808 -4.410 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.196 -5.589 -6.800 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.487 -4.436 -7.075 1.00 1.00 H new ATOM 0 HG2 ARG A 18 0.039 -2.533 -6.552 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.325 -3.641 -6.117 1.00 1.00 H new ATOM 0 HD2 ARG A 18 0.052 -3.466 -8.904 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.581 -2.731 -8.462 1.00 1.00 H new ATOM 0 HE ARG A 18 1.724 -5.495 -7.736 1.00 1.00 H new ATOM 0 HH11 ARG A 18 1.469 -3.442 -10.594 1.00 1.00 H new ATOM 0 HH12 ARG A 18 2.298 -4.596 -11.643 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.785 -6.947 -9.103 1.00 1.00 H new ATOM 0 HH22 ARG A 18 3.034 -6.558 -10.808 1.00 1.00 H new ATOM 264 N VAL A 19 -0.924 -2.563 -3.737 1.00 1.00 N ATOM 265 CA VAL A 19 -1.450 -1.270 -3.238 1.00 1.00 C ATOM 266 C VAL A 19 -0.372 -0.198 -3.303 1.00 1.00 C ATOM 267 O VAL A 19 0.796 -0.465 -3.587 1.00 1.00 O ATOM 268 CB VAL A 19 -1.954 -1.423 -1.774 1.00 1.00 C ATOM 269 CG1 VAL A 19 -3.041 -2.521 -1.708 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.772 -1.785 -0.819 1.00 1.00 C ATOM 0 H VAL A 19 0.011 -2.788 -3.397 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.284 -0.970 -3.872 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.379 -0.473 -1.451 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.391 -2.625 -0.681 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.877 -2.244 -2.350 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.622 -3.469 -2.046 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -1.146 -1.887 0.200 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.322 -2.726 -1.137 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -0.022 -0.995 -0.853 1.00 1.00 H new ATOM 280 N LEU A 20 -0.778 1.038 -3.031 1.00 1.00 N ATOM 281 CA LEU A 20 0.138 2.195 -3.051 1.00 1.00 C ATOM 282 C LEU A 20 0.432 2.673 -1.621 1.00 1.00 C ATOM 283 O LEU A 20 -0.441 2.697 -0.754 1.00 1.00 O ATOM 284 CB LEU A 20 -0.519 3.332 -3.863 1.00 1.00 C ATOM 285 CG LEU A 20 -0.911 2.841 -5.293 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.620 3.985 -6.047 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.337 2.364 -6.103 1.00 1.00 C ATOM 0 H LEU A 20 -1.741 1.275 -2.791 1.00 1.00 H new ATOM 0 HA LEU A 20 1.081 1.904 -3.513 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.406 3.691 -3.341 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.169 4.174 -3.939 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.582 1.988 -5.189 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.895 3.647 -7.046 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.518 4.278 -5.503 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.948 4.840 -6.126 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.023 2.030 -7.092 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.042 3.189 -6.205 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.818 1.539 -5.578 1.00 1.00 H new ATOM 299 N CYS A 21 1.679 3.063 -1.384 1.00 1.00 N ATOM 300 CA CYS A 21 2.130 3.546 -0.056 1.00 1.00 C ATOM 301 C CYS A 21 2.684 4.971 -0.166 1.00 1.00 C ATOM 302 O CYS A 21 3.728 5.197 -0.777 1.00 1.00 O ATOM 303 CB CYS A 21 3.231 2.605 0.467 1.00 1.00 C ATOM 304 SG CYS A 21 3.718 3.106 2.138 1.00 1.00 S ATOM 0 H CYS A 21 2.412 3.059 -2.093 1.00 1.00 H new ATOM 0 HA CYS A 21 1.284 3.554 0.631 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.870 1.577 0.476 1.00 1.00 H new ATOM 0 HB3 CYS A 21 4.094 2.634 -0.198 1.00 1.00 H new ATOM 0 HG CYS A 21 4.080 4.355 2.129 1.00 1.00 H new ATOM 310 N PHE A 22 1.989 5.931 0.434 1.00 1.00 N ATOM 311 CA PHE A 22 2.406 7.350 0.420 1.00 1.00 C ATOM 312 C PHE A 22 3.022 7.728 1.768 1.00 1.00 C ATOM 313 O PHE A 22 2.728 7.130 2.803 1.00 1.00 O ATOM 314 CB PHE A 22 1.187 8.249 0.108 1.00 1.00 C ATOM 315 CG PHE A 22 0.097 8.091 1.182 1.00 1.00 C ATOM 316 CD1 PHE A 22 -0.903 7.106 1.046 1.00 1.00 C ATOM 317 CD2 PHE A 22 0.079 8.940 2.308 1.00 1.00 C ATOM 318 CE1 PHE A 22 -1.903 6.975 2.021 1.00 1.00 C ATOM 319 CE2 PHE A 22 -0.924 8.807 3.278 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.913 7.826 3.134 1.00 1.00 C ATOM 0 H PHE A 22 1.123 5.761 0.945 1.00 1.00 H new ATOM 0 HA PHE A 22 3.157 7.497 -0.356 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.503 9.291 0.056 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.780 7.990 -0.869 1.00 1.00 H new ATOM 0 HD1 PHE A 22 -0.899 6.450 0.188 1.00 1.00 H new ATOM 0 HD2 PHE A 22 0.842 9.696 2.423 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -2.666 6.218 1.914 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -0.934 9.461 4.137 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.685 7.725 3.882 1.00 1.00 H new ATOM 330 N HIS A 23 3.899 8.727 1.759 1.00 1.00 N ATOM 331 CA HIS A 23 4.562 9.182 2.988 1.00 1.00 C ATOM 332 C HIS A 23 5.219 10.543 2.756 1.00 1.00 C ATOM 333 O HIS A 23 6.191 10.894 3.424 1.00 1.00 O ATOM 334 CB HIS A 23 5.612 8.131 3.432 1.00 1.00 C ATOM 335 CG HIS A 23 6.186 8.482 4.788 1.00 1.00 C ATOM 336 ND1 HIS A 23 5.466 8.316 5.963 1.00 1.00 N ATOM 337 CD2 HIS A 23 7.410 8.979 5.168 1.00 1.00 C ATOM 338 CE1 HIS A 23 6.254 8.704 6.982 1.00 1.00 C ATOM 339 NE2 HIS A 23 7.451 9.117 6.553 1.00 1.00 N ATOM 0 H HIS A 23 4.170 9.239 0.920 1.00 1.00 H new ATOM 0 HA HIS A 23 3.822 9.292 3.781 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.151 7.144 3.472 1.00 1.00 H new ATOM 0 HB3 HIS A 23 6.414 8.078 2.696 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.218 9.225 4.494 1.00 1.00 H new ATOM 0 HE1 HIS A 23 5.956 8.684 8.020 1.00 1.00 H new ATOM 0 HE2 HIS A 23 8.228 9.460 7.119 1.00 1.00 H new ATOM 348 N GLY A 24 4.681 11.310 1.813 1.00 1.00 N ATOM 349 CA GLY A 24 5.226 12.635 1.494 1.00 1.00 C ATOM 350 C GLY A 24 4.467 13.298 0.319 1.00 1.00 C ATOM 351 O GLY A 24 3.301 12.970 0.102 1.00 1.00 O ATOM 0 H GLY A 24 3.870 11.042 1.255 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.165 13.275 2.374 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.282 12.543 1.239 1.00 1.00 H new ATOM 355 N PRO A 25 5.075 14.190 -0.413 1.00 1.00 N ATOM 356 CA PRO A 25 4.365 14.877 -1.560 1.00 1.00 C ATOM 357 C PRO A 25 4.255 13.985 -2.810 1.00 1.00 C ATOM 358 O PRO A 25 3.760 14.417 -3.851 1.00 1.00 O ATOM 359 CB PRO A 25 5.216 16.152 -1.774 1.00 1.00 C ATOM 360 CG PRO A 25 6.619 15.694 -1.482 1.00 1.00 C ATOM 361 CD PRO A 25 6.484 14.690 -0.301 1.00 1.00 C ATOM 0 HA PRO A 25 3.321 15.108 -1.348 1.00 1.00 H new ATOM 0 HB2 PRO A 25 5.122 16.531 -2.792 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.909 16.956 -1.105 1.00 1.00 H new ATOM 0 HG2 PRO A 25 7.067 15.218 -2.354 1.00 1.00 H new ATOM 0 HG3 PRO A 25 7.259 16.534 -1.213 1.00 1.00 H new ATOM 0 HD2 PRO A 25 7.205 13.876 -0.384 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.661 15.176 0.659 1.00 1.00 H new ATOM 369 N LEU A 26 4.700 12.737 -2.701 1.00 1.00 N ATOM 370 CA LEU A 26 4.640 11.764 -3.831 1.00 1.00 C ATOM 371 C LEU A 26 4.132 10.398 -3.351 1.00 1.00 C ATOM 372 O LEU A 26 4.303 10.000 -2.200 1.00 1.00 O ATOM 373 CB LEU A 26 6.050 11.605 -4.481 1.00 1.00 C ATOM 374 CG LEU A 26 6.392 12.801 -5.457 1.00 1.00 C ATOM 375 CD1 LEU A 26 7.924 12.922 -5.627 1.00 1.00 C ATOM 376 CD2 LEU A 26 5.755 12.564 -6.864 1.00 1.00 C ATOM 0 H LEU A 26 5.110 12.358 -1.848 1.00 1.00 H new ATOM 0 HA LEU A 26 3.943 12.151 -4.574 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.806 11.549 -3.698 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.091 10.665 -5.031 1.00 1.00 H new ATOM 0 HG LEU A 26 5.988 13.716 -5.024 1.00 1.00 H new ATOM 0 HD11 LEU A 26 8.151 13.748 -6.301 1.00 1.00 H new ATOM 0 HD12 LEU A 26 8.384 13.108 -4.657 1.00 1.00 H new ATOM 0 HD13 LEU A 26 8.318 11.995 -6.044 1.00 1.00 H new ATOM 0 HD21 LEU A 26 6.002 13.398 -7.521 1.00 1.00 H new ATOM 0 HD22 LEU A 26 6.146 11.640 -7.289 1.00 1.00 H new ATOM 0 HD23 LEU A 26 4.672 12.489 -6.765 1.00 1.00 H new ATOM 388 N ILE A 27 3.513 9.677 -4.281 1.00 1.00 N ATOM 389 CA ILE A 27 2.956 8.332 -4.022 1.00 1.00 C ATOM 390 C ILE A 27 3.905 7.269 -4.598 1.00 1.00 C ATOM 391 O ILE A 27 4.345 7.350 -5.746 1.00 1.00 O ATOM 392 CB ILE A 27 1.545 8.214 -4.680 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.608 9.319 -4.094 1.00 1.00 C ATOM 394 CG2 ILE A 27 0.934 6.807 -4.406 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.721 9.381 -4.870 1.00 1.00 C ATOM 0 H ILE A 27 3.378 9.999 -5.239 1.00 1.00 H new ATOM 0 HA ILE A 27 2.856 8.175 -2.948 1.00 1.00 H new ATOM 0 HB ILE A 27 1.642 8.347 -5.757 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.410 9.113 -3.042 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.107 10.287 -4.141 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.050 6.741 -4.871 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.586 6.040 -4.824 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.838 6.655 -3.331 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.356 10.158 -4.443 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.521 9.611 -5.917 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.228 8.419 -4.800 1.00 1.00 H new ATOM 407 N TYR A 28 4.204 6.261 -3.785 1.00 1.00 N ATOM 408 CA TYR A 28 5.105 5.148 -4.171 1.00 1.00 C ATOM 409 C TYR A 28 4.340 3.824 -4.222 1.00 1.00 C ATOM 410 O TYR A 28 3.328 3.639 -3.548 1.00 1.00 O ATOM 411 CB TYR A 28 6.239 5.061 -3.132 1.00 1.00 C ATOM 412 CG TYR A 28 6.998 6.395 -3.124 1.00 1.00 C ATOM 413 CD1 TYR A 28 8.067 6.607 -4.017 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.618 7.426 -2.240 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.749 7.830 -4.021 1.00 1.00 C ATOM 416 CE2 TYR A 28 7.306 8.646 -2.250 1.00 1.00 C ATOM 417 CZ TYR A 28 8.369 8.847 -3.138 1.00 1.00 C ATOM 418 OH TYR A 28 9.044 10.050 -3.145 1.00 1.00 O ATOM 0 H TYR A 28 3.836 6.180 -2.837 1.00 1.00 H new ATOM 0 HA TYR A 28 5.514 5.337 -5.164 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.831 4.852 -2.143 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.915 4.242 -3.378 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.361 5.824 -4.700 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.797 7.275 -1.555 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.569 7.988 -4.706 1.00 1.00 H new ATOM 0 HE2 TYR A 28 7.015 9.434 -1.571 1.00 1.00 H new ATOM 0 HH TYR A 28 8.655 10.647 -2.473 1.00 1.00 H new ATOM 428 N GLU A 29 4.841 2.891 -5.026 1.00 1.00 N ATOM 429 CA GLU A 29 4.211 1.569 -5.181 1.00 1.00 C ATOM 430 C GLU A 29 4.664 0.613 -4.072 1.00 1.00 C ATOM 431 O GLU A 29 5.814 0.635 -3.633 1.00 1.00 O ATOM 432 CB GLU A 29 4.578 0.986 -6.568 1.00 1.00 C ATOM 433 CG GLU A 29 3.806 -0.332 -6.841 1.00 1.00 C ATOM 434 CD GLU A 29 4.121 -0.851 -8.246 1.00 1.00 C ATOM 435 OE1 GLU A 29 3.989 -0.079 -9.182 1.00 1.00 O ATOM 436 OE2 GLU A 29 4.486 -2.010 -8.366 1.00 1.00 O ATOM 0 H GLU A 29 5.684 3.020 -5.585 1.00 1.00 H new ATOM 0 HA GLU A 29 3.130 1.684 -5.106 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.347 1.714 -7.345 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.651 0.799 -6.615 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.080 -1.082 -6.099 1.00 1.00 H new ATOM 0 HG3 GLU A 29 2.734 -0.161 -6.741 1.00 1.00 H new ATOM 443 N ALA A 30 3.749 -0.249 -3.640 1.00 1.00 N ATOM 444 CA ALA A 30 4.032 -1.230 -2.581 1.00 1.00 C ATOM 445 C ALA A 30 3.148 -2.461 -2.764 1.00 1.00 C ATOM 446 O ALA A 30 2.273 -2.483 -3.630 1.00 1.00 O ATOM 447 CB ALA A 30 3.780 -0.575 -1.219 1.00 1.00 C ATOM 0 H ALA A 30 2.798 -0.293 -4.005 1.00 1.00 H new ATOM 0 HA ALA A 30 5.072 -1.550 -2.636 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.987 -1.294 -0.426 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.434 0.290 -1.105 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.740 -0.255 -1.156 1.00 1.00 H new ATOM 453 N LYS A 31 3.371 -3.506 -1.974 1.00 1.00 N ATOM 454 CA LYS A 31 2.586 -4.764 -2.074 1.00 1.00 C ATOM 455 C LYS A 31 2.272 -5.332 -0.687 1.00 1.00 C ATOM 456 O LYS A 31 3.095 -5.294 0.230 1.00 1.00 O ATOM 457 CB LYS A 31 3.395 -5.807 -2.889 1.00 1.00 C ATOM 458 CG LYS A 31 2.522 -7.054 -3.231 1.00 1.00 C ATOM 459 CD LYS A 31 3.295 -8.067 -4.144 1.00 1.00 C ATOM 460 CE LYS A 31 4.315 -8.908 -3.344 1.00 1.00 C ATOM 461 NZ LYS A 31 4.916 -9.928 -4.247 1.00 1.00 N ATOM 0 H LYS A 31 4.089 -3.521 -1.250 1.00 1.00 H new ATOM 0 HA LYS A 31 1.643 -4.544 -2.574 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.759 -5.351 -3.810 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.271 -6.118 -2.320 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.220 -7.551 -2.309 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.610 -6.733 -3.734 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.582 -8.731 -4.633 1.00 1.00 H new ATOM 0 HD3 LYS A 31 3.814 -7.521 -4.932 1.00 1.00 H new ATOM 0 HE2 LYS A 31 5.093 -8.265 -2.932 1.00 1.00 H new ATOM 0 HE3 LYS A 31 3.824 -9.394 -2.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.604 -10.499 -3.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 4.167 -10.546 -4.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.397 -9.452 -5.037 1.00 1.00 H new ATOM 475 N VAL A 32 1.072 -5.881 -0.537 1.00 1.00 N ATOM 476 CA VAL A 32 0.633 -6.484 0.733 1.00 1.00 C ATOM 477 C VAL A 32 1.060 -7.952 0.768 1.00 1.00 C ATOM 478 O VAL A 32 0.503 -8.775 0.041 1.00 1.00 O ATOM 479 CB VAL A 32 -0.922 -6.394 0.868 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.370 -6.855 2.280 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.386 -4.939 0.640 1.00 1.00 C ATOM 0 H VAL A 32 0.375 -5.925 -1.281 1.00 1.00 H new ATOM 0 HA VAL A 32 1.091 -5.942 1.560 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.371 -7.045 0.118 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.455 -6.786 2.358 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.059 -7.887 2.441 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -0.911 -6.216 3.034 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.470 -4.884 0.736 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -0.923 -4.289 1.382 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.093 -4.616 -0.359 1.00 1.00 H new ATOM 491 N LEU A 33 2.011 -8.299 1.627 1.00 1.00 N ATOM 492 CA LEU A 33 2.480 -9.696 1.734 1.00 1.00 C ATOM 493 C LEU A 33 1.462 -10.536 2.492 1.00 1.00 C ATOM 494 O LEU A 33 1.260 -11.709 2.179 1.00 1.00 O ATOM 495 CB LEU A 33 3.879 -9.766 2.429 1.00 1.00 C ATOM 496 CG LEU A 33 4.646 -11.114 2.099 1.00 1.00 C ATOM 497 CD1 LEU A 33 5.356 -11.040 0.712 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.716 -11.398 3.186 1.00 1.00 C ATOM 0 H LEU A 33 2.476 -7.647 2.259 1.00 1.00 H new ATOM 0 HA LEU A 33 2.586 -10.100 0.727 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.484 -8.918 2.109 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.751 -9.677 3.508 1.00 1.00 H new ATOM 0 HG LEU A 33 3.906 -11.914 2.077 1.00 1.00 H new ATOM 0 HD11 LEU A 33 5.872 -11.980 0.517 1.00 1.00 H new ATOM 0 HD12 LEU A 33 4.614 -10.865 -0.067 1.00 1.00 H new ATOM 0 HD13 LEU A 33 6.078 -10.224 0.716 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.237 -12.326 2.950 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.432 -10.577 3.215 1.00 1.00 H new ATOM 0 HD23 LEU A 33 5.231 -11.491 4.158 1.00 1.00 H new ATOM 510 N LYS A 34 0.837 -9.946 3.505 1.00 1.00 N ATOM 511 CA LYS A 34 -0.163 -10.671 4.311 1.00 1.00 C ATOM 512 C LYS A 34 -0.967 -9.686 5.146 1.00 1.00 C ATOM 513 O LYS A 34 -0.572 -8.533 5.322 1.00 1.00 O ATOM 514 CB LYS A 34 0.509 -11.755 5.209 1.00 1.00 C ATOM 515 CG LYS A 34 1.550 -11.116 6.145 1.00 1.00 C ATOM 516 CD LYS A 34 2.222 -12.176 7.042 1.00 1.00 C ATOM 517 CE LYS A 34 3.252 -11.498 7.970 1.00 1.00 C ATOM 518 NZ LYS A 34 3.898 -12.526 8.827 1.00 1.00 N ATOM 0 H LYS A 34 0.996 -8.980 3.792 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.842 -11.191 3.635 1.00 1.00 H new ATOM 0 HB2 LYS A 34 -0.251 -12.268 5.798 1.00 1.00 H new ATOM 0 HB3 LYS A 34 0.989 -12.507 4.583 1.00 1.00 H new ATOM 0 HG2 LYS A 34 2.308 -10.604 5.553 1.00 1.00 H new ATOM 0 HG3 LYS A 34 1.068 -10.362 6.768 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.469 -12.693 7.636 1.00 1.00 H new ATOM 0 HD3 LYS A 34 2.714 -12.928 6.426 1.00 1.00 H new ATOM 0 HE2 LYS A 34 4.005 -10.978 7.377 1.00 1.00 H new ATOM 0 HE3 LYS A 34 2.761 -10.748 8.590 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 4.592 -12.070 9.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 3.175 -13.003 9.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 4.380 -13.225 8.227 1.00 1.00 H new ATOM 532 N THR A 35 -2.101 -10.146 5.662 1.00 1.00 N ATOM 533 CA THR A 35 -2.995 -9.304 6.478 1.00 1.00 C ATOM 534 C THR A 35 -3.593 -10.098 7.634 1.00 1.00 C ATOM 535 O THR A 35 -3.760 -11.315 7.552 1.00 1.00 O ATOM 536 CB THR A 35 -4.127 -8.759 5.576 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.096 -8.107 6.382 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.806 -9.900 4.789 1.00 1.00 C ATOM 0 H THR A 35 -2.432 -11.102 5.534 1.00 1.00 H new ATOM 0 HA THR A 35 -2.418 -8.481 6.899 1.00 1.00 H new ATOM 0 HB THR A 35 -3.693 -8.057 4.864 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.822 -7.179 6.537 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.598 -9.489 4.163 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.068 -10.398 4.160 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.232 -10.620 5.487 1.00 1.00 H new ATOM 546 N LYS A 36 -3.931 -9.397 8.711 1.00 1.00 N ATOM 547 CA LYS A 36 -4.535 -10.071 9.904 1.00 1.00 C ATOM 548 C LYS A 36 -6.019 -9.655 10.060 1.00 1.00 C ATOM 549 O LYS A 36 -6.282 -8.711 10.806 1.00 1.00 O ATOM 550 CB LYS A 36 -3.718 -9.702 11.169 1.00 1.00 C ATOM 551 CG LYS A 36 -4.231 -10.483 12.410 1.00 1.00 C ATOM 552 CD LYS A 36 -3.354 -10.178 13.645 1.00 1.00 C ATOM 553 CE LYS A 36 -3.850 -10.985 14.861 1.00 1.00 C ATOM 554 NZ LYS A 36 -2.994 -10.681 16.040 1.00 1.00 N ATOM 0 H LYS A 36 -3.810 -8.388 8.804 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.504 -11.152 9.768 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.664 -9.926 11.004 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.791 -8.630 11.354 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.266 -10.210 12.616 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.219 -11.553 12.204 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.314 -10.428 13.433 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.386 -9.112 13.869 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.889 -10.735 15.078 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.818 -12.052 14.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.328 -11.225 16.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -2.009 -10.941 15.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -3.046 -9.665 16.254 1.00 1.00 H new ATOM 568 N PRO A 37 -6.959 -10.297 9.422 1.00 1.00 N ATOM 569 CA PRO A 37 -8.417 -9.911 9.533 1.00 1.00 C ATOM 570 C PRO A 37 -9.078 -10.487 10.789 1.00 1.00 C ATOM 571 O PRO A 37 -10.294 -10.389 10.955 1.00 1.00 O ATOM 572 CB PRO A 37 -9.011 -10.510 8.239 1.00 1.00 C ATOM 573 CG PRO A 37 -8.278 -11.812 8.112 1.00 1.00 C ATOM 574 CD PRO A 37 -6.816 -11.480 8.514 1.00 1.00 C ATOM 0 HA PRO A 37 -8.573 -8.837 9.629 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -10.088 -10.658 8.318 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.840 -9.864 7.378 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.706 -12.573 8.765 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.331 -12.199 7.094 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.339 -12.319 9.021 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.204 -11.245 7.643 1.00 1.00 H new ATOM 582 N ASP A 38 -8.281 -11.078 11.674 1.00 1.00 N ATOM 583 CA ASP A 38 -8.790 -11.674 12.913 1.00 1.00 C ATOM 584 C ASP A 38 -9.234 -10.591 13.905 1.00 1.00 C ATOM 585 O ASP A 38 -9.548 -10.888 15.058 1.00 1.00 O ATOM 586 CB ASP A 38 -7.683 -12.551 13.538 1.00 1.00 C ATOM 587 CG ASP A 38 -8.205 -13.310 14.765 1.00 1.00 C ATOM 588 OD1 ASP A 38 -9.032 -14.189 14.584 1.00 1.00 O ATOM 589 OD2 ASP A 38 -7.769 -13.002 15.864 1.00 1.00 O ATOM 0 H ASP A 38 -7.271 -11.159 11.558 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.661 -12.287 12.681 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -7.316 -13.261 12.797 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -6.838 -11.925 13.826 1.00 1.00 H new ATOM 594 N ALA A 39 -9.262 -9.339 13.461 1.00 1.00 N ATOM 595 CA ALA A 39 -9.669 -8.221 14.330 1.00 1.00 C ATOM 596 C ALA A 39 -10.028 -6.980 13.507 1.00 1.00 C ATOM 597 O ALA A 39 -9.587 -6.809 12.371 1.00 1.00 O ATOM 598 CB ALA A 39 -8.522 -7.894 15.302 1.00 1.00 C ATOM 0 H ALA A 39 -9.011 -9.065 12.511 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.557 -8.518 14.888 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.817 -7.067 15.948 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.301 -8.770 15.912 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.634 -7.613 14.736 1.00 1.00 H new ATOM 604 N THR A 40 -10.830 -6.099 14.095 1.00 1.00 N ATOM 605 CA THR A 40 -11.279 -4.849 13.426 1.00 1.00 C ATOM 606 C THR A 40 -11.371 -3.661 14.439 1.00 1.00 C ATOM 607 O THR A 40 -12.219 -3.719 15.329 1.00 1.00 O ATOM 608 CB THR A 40 -12.684 -5.079 12.826 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.591 -5.344 13.883 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.674 -6.278 11.853 1.00 1.00 C ATOM 0 H THR A 40 -11.194 -6.215 15.041 1.00 1.00 H new ATOM 0 HA THR A 40 -10.553 -4.599 12.653 1.00 1.00 H new ATOM 0 HB THR A 40 -12.986 -4.188 12.275 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.506 -4.649 14.569 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.673 -6.422 11.442 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.973 -6.082 11.042 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.368 -7.178 12.387 1.00 1.00 H new ATOM 618 N PRO A 41 -10.566 -2.639 14.340 1.00 1.00 N ATOM 619 CA PRO A 41 -9.477 -2.409 13.314 1.00 1.00 C ATOM 620 C PRO A 41 -8.311 -3.367 13.543 1.00 1.00 C ATOM 621 O PRO A 41 -8.327 -4.200 14.448 1.00 1.00 O ATOM 622 CB PRO A 41 -9.071 -0.926 13.554 1.00 1.00 C ATOM 623 CG PRO A 41 -9.284 -0.755 15.025 1.00 1.00 C ATOM 624 CD PRO A 41 -10.614 -1.487 15.288 1.00 1.00 C ATOM 0 HA PRO A 41 -9.796 -2.590 12.288 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -8.035 -0.740 13.272 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.688 -0.239 12.974 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.467 -1.189 15.601 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.345 0.298 15.301 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.692 -1.821 16.323 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.472 -0.843 15.095 1.00 1.00 H new ATOM 632 N VAL A 42 -7.283 -3.240 12.709 1.00 1.00 N ATOM 633 CA VAL A 42 -6.101 -4.119 12.836 1.00 1.00 C ATOM 634 C VAL A 42 -4.936 -3.597 11.992 1.00 1.00 C ATOM 635 O VAL A 42 -5.070 -2.583 11.308 1.00 1.00 O ATOM 636 CB VAL A 42 -6.497 -5.567 12.425 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.910 -5.599 10.920 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.327 -6.574 12.712 1.00 1.00 C ATOM 0 H VAL A 42 -7.233 -2.558 11.952 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.764 -4.125 13.873 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.351 -5.879 13.026 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.186 -6.616 10.640 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.760 -4.936 10.762 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -6.073 -5.268 10.306 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.630 -7.578 12.416 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.445 -6.279 12.144 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.092 -6.565 13.776 1.00 1.00 H new ATOM 648 N GLU A 43 -3.787 -4.258 12.067 1.00 1.00 N ATOM 649 CA GLU A 43 -2.572 -3.904 11.317 1.00 1.00 C ATOM 650 C GLU A 43 -2.473 -4.756 10.036 1.00 1.00 C ATOM 651 O GLU A 43 -3.113 -5.794 9.868 1.00 1.00 O ATOM 652 CB GLU A 43 -1.309 -4.126 12.202 1.00 1.00 C ATOM 653 CG GLU A 43 -1.236 -5.585 12.776 1.00 1.00 C ATOM 654 CD GLU A 43 -0.814 -6.605 11.707 1.00 1.00 C ATOM 655 OE1 GLU A 43 -0.001 -6.259 10.864 1.00 1.00 O ATOM 656 OE2 GLU A 43 -1.311 -7.720 11.753 1.00 1.00 O ATOM 0 H GLU A 43 -3.664 -5.076 12.664 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.627 -2.851 11.039 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.415 -3.924 11.613 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.315 -3.413 13.026 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -0.527 -5.614 13.604 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -2.209 -5.865 13.180 1.00 1.00 H new ATOM 663 N TYR A 44 -1.638 -4.287 9.116 1.00 1.00 N ATOM 664 CA TYR A 44 -1.415 -4.957 7.826 1.00 1.00 C ATOM 665 C TYR A 44 0.086 -5.030 7.502 1.00 1.00 C ATOM 666 O TYR A 44 0.868 -4.135 7.822 1.00 1.00 O ATOM 667 CB TYR A 44 -2.169 -4.168 6.737 1.00 1.00 C ATOM 668 CG TYR A 44 -3.667 -4.150 7.090 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.174 -3.194 7.993 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.547 -5.105 6.536 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.536 -3.195 8.327 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.905 -5.098 6.879 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.397 -4.144 7.771 1.00 1.00 C ATOM 674 OH TYR A 44 -7.736 -4.141 8.107 1.00 1.00 O ATOM 0 H TYR A 44 -1.094 -3.433 9.236 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.788 -5.980 7.870 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.784 -3.150 6.672 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -2.016 -4.630 5.761 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.513 -2.460 8.428 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.171 -5.845 5.844 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.921 -2.459 9.017 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.573 -5.832 6.452 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.278 -4.168 7.291 1.00 1.00 H new ATOM 684 N TYR A 45 0.464 -6.121 6.845 1.00 1.00 N ATOM 685 CA TYR A 45 1.895 -6.323 6.475 1.00 1.00 C ATOM 686 C TYR A 45 2.140 -5.858 5.051 1.00 1.00 C ATOM 687 O TYR A 45 1.566 -6.398 4.105 1.00 1.00 O ATOM 688 CB TYR A 45 2.281 -7.809 6.582 1.00 1.00 C ATOM 689 CG TYR A 45 3.823 -7.985 6.570 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.556 -7.812 5.376 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.518 -8.318 7.754 1.00 1.00 C ATOM 692 CE1 TYR A 45 5.948 -7.972 5.370 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.913 -8.478 7.735 1.00 1.00 C ATOM 694 CZ TYR A 45 6.622 -8.306 6.545 1.00 1.00 C ATOM 695 OH TYR A 45 7.992 -8.468 6.530 1.00 1.00 O ATOM 0 H TYR A 45 -0.165 -6.870 6.556 1.00 1.00 H new ATOM 0 HA TYR A 45 2.504 -5.740 7.166 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.870 -8.230 7.500 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.842 -8.363 5.753 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.041 -7.555 4.462 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.974 -8.450 8.678 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.501 -7.836 4.452 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.438 -8.735 8.643 1.00 1.00 H new ATOM 0 HH TYR A 45 8.382 -7.892 5.840 1.00 1.00 H new ATOM 705 N ILE A 46 3.010 -4.865 4.902 1.00 1.00 N ATOM 706 CA ILE A 46 3.343 -4.314 3.580 1.00 1.00 C ATOM 707 C ILE A 46 4.839 -3.990 3.506 1.00 1.00 C ATOM 708 O ILE A 46 5.478 -3.643 4.499 1.00 1.00 O ATOM 709 CB ILE A 46 2.479 -3.033 3.319 1.00 1.00 C ATOM 710 CG1 ILE A 46 0.999 -3.319 3.768 1.00 1.00 C ATOM 711 CG2 ILE A 46 2.542 -2.638 1.806 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.043 -2.207 3.350 1.00 1.00 C ATOM 0 H ILE A 46 3.501 -4.420 5.677 1.00 1.00 H new ATOM 0 HA ILE A 46 3.119 -5.051 2.809 1.00 1.00 H new ATOM 0 HB ILE A 46 2.871 -2.195 3.896 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.666 -4.263 3.336 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.966 -3.435 4.851 1.00 1.00 H new ATOM 0 HG21 ILE A 46 1.938 -1.747 1.637 1.00 1.00 H new ATOM 0 HG22 ILE A 46 3.575 -2.434 1.526 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.157 -3.458 1.200 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.966 -2.451 3.683 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.358 -1.267 3.804 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.053 -2.107 2.265 1.00 1.00 H new ATOM 724 N HIS A 47 5.400 -4.098 2.306 1.00 1.00 N ATOM 725 CA HIS A 47 6.818 -3.816 2.053 1.00 1.00 C ATOM 726 C HIS A 47 6.976 -3.136 0.684 1.00 1.00 C ATOM 727 O HIS A 47 6.246 -3.422 -0.265 1.00 1.00 O ATOM 728 CB HIS A 47 7.618 -5.133 2.099 1.00 1.00 C ATOM 729 CG HIS A 47 7.069 -6.115 1.094 1.00 1.00 C ATOM 730 ND1 HIS A 47 5.829 -6.691 0.948 1.00 1.00 N flip ATOM 731 CD2 HIS A 47 7.845 -6.624 0.065 1.00 1.00 C flip ATOM 732 CE1 HIS A 47 5.838 -7.545 -0.152 1.00 1.00 C flip ATOM 733 NE2 HIS A 47 7.075 -7.466 -0.647 1.00 1.00 N flip ATOM 0 H HIS A 47 4.885 -4.385 1.474 1.00 1.00 H new ATOM 0 HA HIS A 47 7.202 -3.143 2.820 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.669 -4.935 1.888 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.569 -5.561 3.100 1.00 1.00 H new ATOM 0 HD2 HIS A 47 8.881 -6.387 -0.130 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.020 -8.143 -0.525 1.00 1.00 H new ATOM 0 HE2 HIS A 47 7.397 -7.982 -1.466 1.00 1.00 H new ATOM 742 N TYR A 48 7.946 -2.233 0.581 1.00 1.00 N ATOM 743 CA TYR A 48 8.194 -1.512 -0.675 1.00 1.00 C ATOM 744 C TYR A 48 8.799 -2.463 -1.721 1.00 1.00 C ATOM 745 O TYR A 48 9.744 -3.206 -1.453 1.00 1.00 O ATOM 746 CB TYR A 48 9.142 -0.326 -0.411 1.00 1.00 C ATOM 747 CG TYR A 48 8.473 0.649 0.574 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.655 1.694 0.096 1.00 1.00 C ATOM 749 CD2 TYR A 48 8.657 0.497 1.963 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.035 2.572 0.995 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.035 1.381 2.857 1.00 1.00 C ATOM 752 CZ TYR A 48 7.227 2.415 2.373 1.00 1.00 C ATOM 753 OH TYR A 48 6.615 3.282 3.256 1.00 1.00 O ATOM 0 H TYR A 48 8.573 -1.980 1.344 1.00 1.00 H new ATOM 0 HA TYR A 48 7.250 -1.130 -1.064 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.086 -0.684 -0.001 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.373 0.185 -1.346 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.506 1.818 -0.966 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.278 -0.302 2.340 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.409 3.370 0.625 1.00 1.00 H new ATOM 0 HE2 TYR A 48 8.180 1.263 3.921 1.00 1.00 H new ATOM 0 HH TYR A 48 5.653 3.312 3.071 1.00 1.00 H new ATOM 763 N ALA A 49 8.239 -2.436 -2.925 1.00 1.00 N ATOM 764 CA ALA A 49 8.706 -3.296 -4.022 1.00 1.00 C ATOM 765 C ALA A 49 10.109 -2.882 -4.488 1.00 1.00 C ATOM 766 O ALA A 49 10.431 -1.696 -4.555 1.00 1.00 O ATOM 767 CB ALA A 49 7.718 -3.200 -5.199 1.00 1.00 C ATOM 0 H ALA A 49 7.458 -1.828 -3.173 1.00 1.00 H new ATOM 0 HA ALA A 49 8.757 -4.323 -3.662 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.061 -3.836 -6.015 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.731 -3.528 -4.873 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.662 -2.167 -5.544 1.00 1.00 H new ATOM 773 N GLY A 50 10.945 -3.862 -4.817 1.00 1.00 N ATOM 774 CA GLY A 50 12.318 -3.608 -5.284 1.00 1.00 C ATOM 775 C GLY A 50 13.265 -3.361 -4.117 1.00 1.00 C ATOM 776 O GLY A 50 14.375 -2.861 -4.301 1.00 1.00 O ATOM 0 H GLY A 50 10.699 -4.851 -4.770 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.670 -4.460 -5.866 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.324 -2.744 -5.949 1.00 1.00 H new ATOM 780 N TRP A 51 12.832 -3.717 -2.912 1.00 1.00 N ATOM 781 CA TRP A 51 13.650 -3.529 -1.692 1.00 1.00 C ATOM 782 C TRP A 51 13.528 -4.742 -0.766 1.00 1.00 C ATOM 783 O TRP A 51 12.659 -5.601 -0.923 1.00 1.00 O ATOM 784 CB TRP A 51 13.185 -2.253 -0.962 1.00 1.00 C ATOM 785 CG TRP A 51 13.392 -1.054 -1.858 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.420 -0.390 -2.533 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.643 -0.380 -2.188 1.00 1.00 C ATOM 788 NE1 TRP A 51 12.994 0.643 -3.249 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.361 0.692 -3.069 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.980 -0.593 -1.809 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.370 1.522 -3.557 1.00 1.00 C ATOM 792 CZ3 TRP A 51 17.000 0.241 -2.299 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.695 1.296 -3.171 1.00 1.00 C ATOM 0 H TRP A 51 11.919 -4.139 -2.741 1.00 1.00 H new ATOM 0 HA TRP A 51 14.697 -3.426 -1.977 1.00 1.00 H new ATOM 0 HB2 TRP A 51 12.133 -2.340 -0.691 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.744 -2.128 -0.035 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.367 -0.630 -2.514 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.471 1.290 -3.839 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.225 -1.402 -1.137 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.130 2.333 -4.228 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.024 0.068 -2.002 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.483 1.934 -3.544 1.00 1.00 H new ATOM 804 N SER A 52 14.425 -4.807 0.212 1.00 1.00 N ATOM 805 CA SER A 52 14.439 -5.917 1.176 1.00 1.00 C ATOM 806 C SER A 52 13.125 -5.973 1.962 1.00 1.00 C ATOM 807 O SER A 52 12.654 -4.954 2.468 1.00 1.00 O ATOM 808 CB SER A 52 15.605 -5.727 2.157 1.00 1.00 C ATOM 809 OG SER A 52 15.374 -4.559 2.934 1.00 1.00 O ATOM 0 H SER A 52 15.153 -4.109 0.363 1.00 1.00 H new ATOM 0 HA SER A 52 14.559 -6.850 0.626 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.696 -6.598 2.806 1.00 1.00 H new ATOM 0 HB3 SER A 52 16.544 -5.636 1.611 1.00 1.00 H new ATOM 0 HG SER A 52 14.425 -4.319 2.890 1.00 1.00 H new ATOM 815 N LYS A 53 12.540 -7.161 2.069 1.00 1.00 N ATOM 816 CA LYS A 53 11.275 -7.372 2.793 1.00 1.00 C ATOM 817 C LYS A 53 11.518 -7.518 4.295 1.00 1.00 C ATOM 818 O LYS A 53 10.571 -7.553 5.081 1.00 1.00 O ATOM 819 CB LYS A 53 10.540 -8.615 2.228 1.00 1.00 C ATOM 820 CG LYS A 53 11.406 -9.889 2.366 1.00 1.00 C ATOM 821 CD LYS A 53 10.660 -11.101 1.757 1.00 1.00 C ATOM 822 CE LYS A 53 11.514 -12.374 1.873 1.00 1.00 C ATOM 823 NZ LYS A 53 10.763 -13.523 1.291 1.00 1.00 N ATOM 0 H LYS A 53 12.924 -8.012 1.658 1.00 1.00 H new ATOM 0 HA LYS A 53 10.643 -6.496 2.646 1.00 1.00 H new ATOM 0 HB2 LYS A 53 9.597 -8.754 2.757 1.00 1.00 H new ATOM 0 HB3 LYS A 53 10.296 -8.450 1.179 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.361 -9.747 1.860 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.627 -10.077 3.417 1.00 1.00 H new ATOM 0 HD2 LYS A 53 9.710 -11.246 2.271 1.00 1.00 H new ATOM 0 HD3 LYS A 53 10.430 -10.905 0.710 1.00 1.00 H new ATOM 0 HE2 LYS A 53 12.461 -12.240 1.349 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.753 -12.572 2.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.337 -14.387 1.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 9.871 -13.653 1.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 10.557 -13.332 0.290 1.00 1.00 H new ATOM 837 N ASN A 54 12.778 -7.616 4.707 1.00 1.00 N ATOM 838 CA ASN A 54 13.140 -7.767 6.121 1.00 1.00 C ATOM 839 C ASN A 54 12.835 -6.487 6.897 1.00 1.00 C ATOM 840 O ASN A 54 12.896 -6.463 8.126 1.00 1.00 O ATOM 841 CB ASN A 54 14.641 -8.108 6.232 1.00 1.00 C ATOM 842 CG ASN A 54 14.954 -9.370 5.431 1.00 1.00 C ATOM 843 OD1 ASN A 54 14.086 -10.344 5.396 1.00 1.00 O flip ATOM 844 ND2 ASN A 54 16.020 -9.472 4.823 1.00 1.00 N flip ATOM 0 H ASN A 54 13.579 -7.594 4.075 1.00 1.00 H new ATOM 0 HA ASN A 54 12.549 -8.575 6.552 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.239 -7.275 5.862 1.00 1.00 H new ATOM 0 HB3 ASN A 54 14.912 -8.255 7.277 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.698 -8.710 4.851 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.225 -10.318 4.292 1.00 1.00 H new ATOM 851 N TRP A 55 12.500 -5.422 6.176 1.00 1.00 N ATOM 852 CA TRP A 55 12.184 -4.132 6.791 1.00 1.00 C ATOM 853 C TRP A 55 10.873 -4.239 7.574 1.00 1.00 C ATOM 854 O TRP A 55 10.659 -3.534 8.561 1.00 1.00 O ATOM 855 CB TRP A 55 12.076 -3.051 5.689 1.00 1.00 C ATOM 856 CG TRP A 55 11.982 -1.680 6.295 1.00 1.00 C ATOM 857 CD1 TRP A 55 10.893 -1.171 6.911 1.00 1.00 C ATOM 858 CD2 TRP A 55 13.004 -0.643 6.346 1.00 1.00 C ATOM 859 NE1 TRP A 55 11.179 0.113 7.336 1.00 1.00 N ATOM 860 CE2 TRP A 55 12.469 0.484 7.012 1.00 1.00 C ATOM 861 CE3 TRP A 55 14.330 -0.572 5.883 1.00 1.00 C ATOM 862 CZ2 TRP A 55 13.221 1.641 7.212 1.00 1.00 C ATOM 863 CZ3 TRP A 55 15.093 0.591 6.083 1.00 1.00 C ATOM 864 CH2 TRP A 55 14.538 1.697 6.746 1.00 1.00 C ATOM 0 H TRP A 55 12.439 -5.425 5.158 1.00 1.00 H new ATOM 0 HA TRP A 55 12.977 -3.850 7.484 1.00 1.00 H new ATOM 0 HB2 TRP A 55 12.945 -3.105 5.034 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.199 -3.241 5.071 1.00 1.00 H new ATOM 0 HD1 TRP A 55 9.952 -1.683 7.049 1.00 1.00 H new ATOM 0 HE1 TRP A 55 10.518 0.713 7.829 1.00 1.00 H new ATOM 0 HE3 TRP A 55 14.765 -1.417 5.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 12.789 2.488 7.724 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 16.111 0.634 5.725 1.00 1.00 H new ATOM 0 HH2 TRP A 55 15.127 2.590 6.896 1.00 1.00 H new ATOM 875 N ASP A 56 9.994 -5.125 7.118 1.00 1.00 N ATOM 876 CA ASP A 56 8.688 -5.367 7.755 1.00 1.00 C ATOM 877 C ASP A 56 7.963 -4.063 8.137 1.00 1.00 C ATOM 878 O ASP A 56 7.884 -3.707 9.313 1.00 1.00 O ATOM 879 CB ASP A 56 8.881 -6.249 9.008 1.00 1.00 C ATOM 880 CG ASP A 56 9.559 -7.572 8.642 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.371 -7.573 7.731 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.253 -8.566 9.278 1.00 1.00 O ATOM 0 H ASP A 56 10.160 -5.702 6.293 1.00 1.00 H new ATOM 0 HA ASP A 56 8.059 -5.878 7.026 1.00 1.00 H new ATOM 0 HB2 ASP A 56 9.485 -5.717 9.743 1.00 1.00 H new ATOM 0 HB3 ASP A 56 7.915 -6.446 9.472 1.00 1.00 H new ATOM 887 N GLU A 57 7.422 -3.347 7.157 1.00 1.00 N ATOM 888 CA GLU A 57 6.711 -2.078 7.423 1.00 1.00 C ATOM 889 C GLU A 57 5.226 -2.345 7.727 1.00 1.00 C ATOM 890 O GLU A 57 4.400 -2.431 6.818 1.00 1.00 O ATOM 891 CB GLU A 57 6.860 -1.133 6.190 1.00 1.00 C ATOM 892 CG GLU A 57 6.479 0.338 6.544 1.00 1.00 C ATOM 893 CD GLU A 57 7.518 0.991 7.471 1.00 1.00 C ATOM 894 OE1 GLU A 57 8.644 0.522 7.503 1.00 1.00 O ATOM 895 OE2 GLU A 57 7.165 1.955 8.131 1.00 1.00 O ATOM 0 H GLU A 57 7.456 -3.612 6.173 1.00 1.00 H new ATOM 0 HA GLU A 57 7.150 -1.596 8.296 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.887 -1.166 5.828 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.224 -1.489 5.379 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.392 0.921 5.627 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.501 0.354 7.026 1.00 1.00 H new ATOM 902 N TRP A 58 4.884 -2.452 9.007 1.00 1.00 N ATOM 903 CA TRP A 58 3.503 -2.697 9.455 1.00 1.00 C ATOM 904 C TRP A 58 2.753 -1.354 9.503 1.00 1.00 C ATOM 905 O TRP A 58 3.228 -0.389 10.105 1.00 1.00 O ATOM 906 CB TRP A 58 3.542 -3.365 10.868 1.00 1.00 C ATOM 907 CG TRP A 58 3.951 -4.824 10.786 1.00 1.00 C ATOM 908 CD1 TRP A 58 4.960 -5.330 10.028 1.00 1.00 C ATOM 909 CD2 TRP A 58 3.369 -5.969 11.488 1.00 1.00 C ATOM 910 NE1 TRP A 58 5.017 -6.699 10.211 1.00 1.00 N ATOM 911 CE2 TRP A 58 4.062 -7.140 11.097 1.00 1.00 C ATOM 912 CE3 TRP A 58 2.317 -6.102 12.410 1.00 1.00 C ATOM 913 CZ2 TRP A 58 3.722 -8.399 11.597 1.00 1.00 C ATOM 914 CZ3 TRP A 58 1.972 -7.368 12.921 1.00 1.00 C ATOM 915 CH2 TRP A 58 2.673 -8.514 12.512 1.00 1.00 C ATOM 0 H TRP A 58 5.554 -2.372 9.772 1.00 1.00 H new ATOM 0 HA TRP A 58 2.984 -3.364 8.767 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.242 -2.826 11.507 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.560 -3.288 11.335 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.612 -4.755 9.387 1.00 1.00 H new ATOM 0 HE1 TRP A 58 5.688 -7.310 9.744 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.769 -5.227 12.729 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 4.266 -9.276 11.279 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 1.164 -7.458 13.632 1.00 1.00 H new ATOM 0 HH2 TRP A 58 2.401 -9.483 12.904 1.00 1.00 H new ATOM 926 N VAL A 59 1.586 -1.281 8.873 1.00 1.00 N ATOM 927 CA VAL A 59 0.791 -0.011 8.836 1.00 1.00 C ATOM 928 C VAL A 59 -0.748 -0.259 8.927 1.00 1.00 C ATOM 929 O VAL A 59 -1.230 -1.280 8.438 1.00 1.00 O ATOM 930 CB VAL A 59 1.099 0.760 7.513 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.507 1.397 7.554 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.000 -0.206 6.309 1.00 1.00 C ATOM 0 H VAL A 59 1.155 -2.063 8.380 1.00 1.00 H new ATOM 0 HA VAL A 59 1.085 0.574 9.708 1.00 1.00 H new ATOM 0 HB VAL A 59 0.365 1.558 7.405 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.694 1.927 6.620 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.565 2.098 8.387 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.256 0.616 7.684 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.216 0.337 5.389 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.721 -1.015 6.431 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -0.006 -0.622 6.258 1.00 1.00 H new ATOM 942 N PRO A 60 -1.488 0.651 9.499 1.00 1.00 N ATOM 943 CA PRO A 60 -2.993 0.502 9.606 1.00 1.00 C ATOM 944 C PRO A 60 -3.696 0.786 8.262 1.00 1.00 C ATOM 945 O PRO A 60 -3.174 1.485 7.393 1.00 1.00 O ATOM 946 CB PRO A 60 -3.365 1.562 10.673 1.00 1.00 C ATOM 947 CG PRO A 60 -2.399 2.674 10.384 1.00 1.00 C ATOM 948 CD PRO A 60 -1.062 1.952 10.120 1.00 1.00 C ATOM 0 HA PRO A 60 -3.304 -0.509 9.870 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.400 1.889 10.575 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.247 1.176 11.686 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.713 3.260 9.520 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.321 3.363 11.225 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.420 2.526 9.451 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.502 1.793 11.041 1.00 1.00 H new ATOM 956 N GLU A 61 -4.898 0.241 8.106 1.00 1.00 N ATOM 957 CA GLU A 61 -5.691 0.431 6.869 1.00 1.00 C ATOM 958 C GLU A 61 -5.791 1.918 6.479 1.00 1.00 C ATOM 959 O GLU A 61 -6.056 2.261 5.327 1.00 1.00 O ATOM 960 CB GLU A 61 -7.117 -0.159 7.063 1.00 1.00 C ATOM 961 CG GLU A 61 -7.785 0.441 8.323 1.00 1.00 C ATOM 962 CD GLU A 61 -9.184 -0.150 8.528 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.832 -0.455 7.539 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.585 -0.284 9.672 1.00 1.00 O ATOM 0 H GLU A 61 -5.355 -0.337 8.812 1.00 1.00 H new ATOM 0 HA GLU A 61 -5.180 -0.093 6.061 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.727 0.053 6.185 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.059 -1.243 7.157 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.168 0.240 9.199 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.853 1.524 8.223 1.00 1.00 H new ATOM 971 N ASN A 62 -5.578 2.802 7.448 1.00 1.00 N ATOM 972 CA ASN A 62 -5.656 4.250 7.212 1.00 1.00 C ATOM 973 C ASN A 62 -4.574 4.724 6.223 1.00 1.00 C ATOM 974 O ASN A 62 -4.842 5.565 5.366 1.00 1.00 O ATOM 975 CB ASN A 62 -5.518 4.993 8.560 1.00 1.00 C ATOM 976 CG ASN A 62 -5.660 6.506 8.373 1.00 1.00 C ATOM 977 OD1 ASN A 62 -4.664 7.229 8.372 1.00 1.00 O ATOM 978 ND2 ASN A 62 -6.847 7.026 8.216 1.00 1.00 N ATOM 0 H ASN A 62 -5.349 2.546 8.408 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.624 4.476 6.764 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -6.278 4.636 9.255 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.549 4.768 9.005 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -6.950 8.033 8.092 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -7.671 6.425 8.217 1.00 1.00 H new ATOM 985 N ARG A 63 -3.359 4.200 6.343 1.00 1.00 N ATOM 986 CA ARG A 63 -2.238 4.601 5.454 1.00 1.00 C ATOM 987 C ARG A 63 -2.226 3.759 4.162 1.00 1.00 C ATOM 988 O ARG A 63 -1.342 3.914 3.320 1.00 1.00 O ATOM 989 CB ARG A 63 -0.879 4.446 6.214 1.00 1.00 C ATOM 990 CG ARG A 63 0.262 5.361 5.600 1.00 1.00 C ATOM 991 CD ARG A 63 0.284 6.755 6.275 1.00 1.00 C ATOM 992 NE ARG A 63 0.717 6.608 7.671 1.00 1.00 N ATOM 993 CZ ARG A 63 1.993 6.358 8.003 1.00 1.00 C ATOM 994 NH1 ARG A 63 2.923 6.307 7.083 1.00 1.00 N ATOM 995 NH2 ARG A 63 2.311 6.172 9.254 1.00 1.00 N ATOM 0 H ARG A 63 -3.110 3.498 7.040 1.00 1.00 H new ATOM 0 HA ARG A 63 -2.377 5.645 5.173 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -1.021 4.702 7.264 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.563 3.403 6.180 1.00 1.00 H new ATOM 0 HG2 ARG A 63 1.230 4.876 5.729 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.103 5.475 4.528 1.00 1.00 H new ATOM 0 HD2 ARG A 63 0.961 7.421 5.740 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -0.707 7.208 6.235 1.00 1.00 H new ATOM 0 HE ARG A 63 0.024 6.699 8.414 1.00 1.00 H new ATOM 0 HH11 ARG A 63 2.681 6.458 6.104 1.00 1.00 H new ATOM 0 HH12 ARG A 63 3.890 6.116 7.345 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.591 6.217 9.975 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.280 5.982 9.511 1.00 1.00 H new ATOM 1009 N VAL A 64 -3.207 2.877 4.001 1.00 1.00 N ATOM 1010 CA VAL A 64 -3.299 2.001 2.802 1.00 1.00 C ATOM 1011 C VAL A 64 -4.309 2.579 1.803 1.00 1.00 C ATOM 1012 O VAL A 64 -5.432 2.948 2.149 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.713 0.563 3.224 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -3.730 -0.391 1.996 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -2.707 0.023 4.268 1.00 1.00 C ATOM 0 H VAL A 64 -3.958 2.738 4.677 1.00 1.00 H new ATOM 0 HA VAL A 64 -2.322 1.955 2.320 1.00 1.00 H new ATOM 0 HB VAL A 64 -4.715 0.605 3.651 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.022 -1.391 2.316 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -4.444 -0.023 1.259 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -2.736 -0.429 1.551 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -2.996 -0.985 4.565 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -1.708 0.001 3.833 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -2.707 0.673 5.143 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.901 2.654 0.541 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.770 3.182 -0.545 1.00 1.00 C ATOM 1027 C LEU A 65 -4.995 2.107 -1.618 1.00 1.00 C ATOM 1028 O LEU A 65 -4.063 1.438 -2.068 1.00 1.00 O ATOM 1029 CB LEU A 65 -4.109 4.436 -1.166 1.00 1.00 C ATOM 1030 CG LEU A 65 -5.007 5.116 -2.258 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -6.376 5.601 -1.676 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -4.239 6.326 -2.856 1.00 1.00 C ATOM 0 H LEU A 65 -2.976 2.360 0.228 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.740 3.456 -0.130 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -3.895 5.157 -0.377 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -3.154 4.156 -1.610 1.00 1.00 H new ATOM 0 HG LEU A 65 -5.224 4.376 -3.029 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.964 6.065 -2.468 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.922 4.749 -1.271 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -6.197 6.328 -0.883 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -4.854 6.807 -3.617 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -4.015 7.042 -2.065 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -3.309 5.980 -3.307 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.245 1.960 -2.044 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.609 0.974 -3.064 1.00 1.00 C ATOM 1046 C LYS A 66 -5.975 1.331 -4.409 1.00 1.00 C ATOM 1047 O LYS A 66 -5.830 2.507 -4.743 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.154 0.904 -3.190 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.740 2.297 -3.526 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.284 2.224 -3.592 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.871 3.611 -3.916 1.00 1.00 C ATOM 1052 NZ LYS A 66 -12.355 3.517 -3.996 1.00 1.00 N ATOM 0 H LYS A 66 -7.029 2.513 -1.699 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.232 -0.004 -2.764 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.428 0.191 -3.968 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.584 0.539 -2.257 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.435 3.020 -2.770 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.344 2.646 -4.480 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.589 1.506 -4.353 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.679 1.867 -2.641 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.583 4.328 -3.147 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.468 3.976 -4.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.751 4.454 -4.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.620 2.845 -4.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.732 3.186 -3.085 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.613 0.312 -5.180 1.00 1.00 N ATOM 1067 CA TYR A 67 -5.000 0.525 -6.500 1.00 1.00 C ATOM 1068 C TYR A 67 -6.101 0.739 -7.541 1.00 1.00 C ATOM 1069 O TYR A 67 -6.940 -0.131 -7.774 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.140 -0.702 -6.879 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.412 -0.451 -8.213 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -2.154 0.186 -8.228 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -4.000 -0.844 -9.433 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -1.496 0.421 -9.444 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -3.337 -0.605 -10.644 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.087 0.026 -10.649 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.436 0.257 -11.843 1.00 1.00 O ATOM 0 H TYR A 67 -5.730 -0.668 -4.922 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.360 1.407 -6.469 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.413 -0.903 -6.092 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.772 -1.586 -6.962 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -1.696 0.494 -7.300 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -4.964 -1.331 -9.434 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -0.532 0.908 -9.450 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -3.791 -0.908 -11.576 1.00 1.00 H new ATOM 0 HH TYR A 67 -1.982 -0.079 -12.584 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.090 1.905 -8.180 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.095 2.234 -9.200 1.00 1.00 C ATOM 1089 C ASN A 68 -6.540 3.258 -10.183 1.00 1.00 C ATOM 1090 O ASN A 68 -5.749 4.126 -9.813 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.359 2.781 -8.508 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.478 3.025 -9.522 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.620 2.271 -10.485 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -10.279 4.040 -9.360 1.00 1.00 N ATOM 0 H ASN A 68 -5.401 2.639 -8.014 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.351 1.334 -9.759 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.698 2.074 -7.751 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -8.122 3.711 -7.992 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -11.027 4.212 -10.032 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -10.158 4.662 -8.561 1.00 1.00 H new ATOM 1101 N ASP A 69 -6.972 3.149 -11.435 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.521 4.067 -12.483 1.00 1.00 C ATOM 1103 C ASP A 69 -6.611 5.534 -12.033 1.00 1.00 C ATOM 1104 O ASP A 69 -5.847 6.378 -12.503 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.362 3.853 -13.754 1.00 1.00 C ATOM 1106 CG ASP A 69 -7.329 2.380 -14.157 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -6.270 1.780 -14.049 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -8.359 1.874 -14.572 1.00 1.00 O ATOM 0 H ASP A 69 -7.631 2.438 -11.751 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.473 3.851 -12.692 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -8.390 4.168 -13.577 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -6.975 4.470 -14.565 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.532 5.838 -11.124 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.705 7.198 -10.605 1.00 1.00 C ATOM 1115 C ASP A 70 -6.539 7.564 -9.682 1.00 1.00 C ATOM 1116 O ASP A 70 -5.989 8.660 -9.776 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.041 7.304 -9.837 1.00 1.00 C ATOM 1118 CG ASP A 70 -9.281 8.745 -9.363 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.363 9.617 -10.211 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -9.371 8.953 -8.162 1.00 1.00 O ATOM 0 H ASP A 70 -8.178 5.156 -10.726 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.721 7.895 -11.443 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.862 6.986 -10.480 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.028 6.631 -8.980 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.158 6.660 -8.786 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.044 6.906 -7.860 1.00 1.00 C ATOM 1127 C ASN A 71 -3.749 7.015 -8.667 1.00 1.00 C ATOM 1128 O ASN A 71 -2.862 7.806 -8.348 1.00 1.00 O ATOM 1129 CB ASN A 71 -4.949 5.773 -6.827 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.223 5.716 -5.981 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.658 6.734 -5.441 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.847 4.579 -5.834 1.00 1.00 N ATOM 0 H ASN A 71 -6.601 5.748 -8.677 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.212 7.837 -7.318 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.799 4.820 -7.335 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.084 5.931 -6.183 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.696 4.532 -5.271 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.485 3.737 -6.282 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.649 6.216 -9.724 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.472 6.247 -10.608 1.00 1.00 C ATOM 1141 C VAL A 72 -2.443 7.611 -11.306 1.00 1.00 C ATOM 1142 O VAL A 72 -1.394 8.248 -11.402 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.539 5.092 -11.644 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.346 5.165 -12.644 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.505 3.732 -10.902 1.00 1.00 C ATOM 0 H VAL A 72 -4.362 5.539 -9.995 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.559 6.108 -10.029 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.467 5.189 -12.207 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.419 4.344 -13.358 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.377 6.114 -13.178 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.407 5.087 -12.096 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.552 2.920 -11.628 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.581 3.653 -10.329 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.358 3.665 -10.227 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.602 8.058 -11.779 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.735 9.346 -12.462 1.00 1.00 C ATOM 1157 C LYS A 73 -3.199 10.470 -11.557 1.00 1.00 C ATOM 1158 O LYS A 73 -2.502 11.378 -12.009 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.226 9.584 -12.815 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.412 10.865 -13.665 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.905 11.041 -14.036 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.097 12.297 -14.906 1.00 1.00 C ATOM 1163 NZ LYS A 73 -6.628 13.497 -14.156 1.00 1.00 N ATOM 0 H LYS A 73 -4.477 7.540 -11.701 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.153 9.342 -13.383 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.613 8.724 -13.362 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.809 9.667 -11.898 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -5.062 11.735 -13.109 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.809 10.802 -14.571 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.259 10.161 -14.573 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.504 11.124 -13.129 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.540 12.196 -15.837 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -8.148 12.410 -15.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -6.968 14.358 -14.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -7.000 13.467 -13.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -5.588 13.505 -14.128 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.528 10.397 -10.272 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.069 11.400 -9.291 1.00 1.00 C ATOM 1179 C ARG A 74 -1.536 11.359 -9.170 1.00 1.00 C ATOM 1180 O ARG A 74 -0.881 12.398 -9.082 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.720 11.125 -7.909 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.230 11.468 -7.940 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.882 11.139 -6.583 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.271 11.949 -5.517 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.523 13.257 -5.370 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.351 13.870 -6.176 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -4.943 13.924 -4.410 1.00 1.00 N ATOM 0 H ARG A 74 -4.110 9.659 -9.876 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.368 12.391 -9.633 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.585 10.078 -7.639 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.222 11.718 -7.142 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.365 12.525 -8.169 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.721 10.905 -8.733 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -6.953 11.334 -6.629 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.760 10.079 -6.360 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.631 11.497 -4.864 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.811 13.352 -6.925 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.536 14.866 -6.056 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.301 13.450 -3.775 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.132 14.920 -4.294 1.00 1.00 H new ATOM 1201 N ARG A 75 -0.965 10.159 -9.175 1.00 1.00 N ATOM 1202 CA ARG A 75 0.496 9.990 -9.074 1.00 1.00 C ATOM 1203 C ARG A 75 1.126 10.522 -10.344 1.00 1.00 C ATOM 1204 O ARG A 75 2.201 11.121 -10.352 1.00 1.00 O ATOM 1205 CB ARG A 75 0.858 8.502 -8.858 1.00 1.00 C ATOM 1206 CG ARG A 75 2.391 8.325 -8.666 1.00 1.00 C ATOM 1207 CD ARG A 75 2.728 6.858 -8.334 1.00 1.00 C ATOM 1208 NE ARG A 75 2.361 5.997 -9.461 1.00 1.00 N ATOM 1209 CZ ARG A 75 2.483 4.664 -9.414 1.00 1.00 C ATOM 1210 NH1 ARG A 75 2.961 4.071 -8.350 1.00 1.00 N ATOM 1211 NH2 ARG A 75 2.125 3.951 -10.444 1.00 1.00 N ATOM 0 H ARG A 75 -1.484 9.284 -9.248 1.00 1.00 H new ATOM 0 HA ARG A 75 0.877 10.544 -8.216 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.332 8.119 -7.984 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.525 7.915 -9.714 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.914 8.628 -9.573 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.740 8.975 -7.864 1.00 1.00 H new ATOM 0 HD2 ARG A 75 3.792 6.759 -8.121 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.193 6.546 -7.437 1.00 1.00 H new ATOM 0 HE ARG A 75 2.000 6.428 -10.312 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.246 4.625 -7.542 1.00 1.00 H new ATOM 0 HH12 ARG A 75 3.048 3.055 -8.328 1.00 1.00 H new ATOM 0 HH21 ARG A 75 1.755 4.409 -11.277 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.214 2.935 -10.417 1.00 1.00 H new ATOM 1225 N GLN A 76 0.433 10.282 -11.452 1.00 1.00 N ATOM 1226 CA GLN A 76 0.885 10.743 -12.764 1.00 1.00 C ATOM 1227 C GLN A 76 0.839 12.287 -12.774 1.00 1.00 C ATOM 1228 O GLN A 76 1.738 12.936 -13.310 1.00 1.00 O ATOM 1229 CB GLN A 76 -0.002 10.071 -13.870 1.00 1.00 C ATOM 1230 CG GLN A 76 -0.230 10.987 -15.106 1.00 1.00 C ATOM 1231 CD GLN A 76 -0.827 10.208 -16.288 1.00 1.00 C ATOM 1232 OE1 GLN A 76 -0.869 8.977 -16.269 1.00 1.00 O ATOM 1233 NE2 GLN A 76 -1.275 10.859 -17.330 1.00 1.00 N ATOM 0 H GLN A 76 -0.448 9.769 -11.469 1.00 1.00 H new ATOM 0 HA GLN A 76 1.914 10.452 -12.975 1.00 1.00 H new ATOM 0 HB2 GLN A 76 0.471 9.144 -14.194 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.967 9.803 -13.441 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -0.898 11.805 -14.835 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.717 11.435 -15.407 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -1.241 11.878 -17.348 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -1.658 10.347 -18.125 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.200 12.861 -12.179 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.321 14.333 -12.105 1.00 1.00 C ATOM 1244 C GLU A 77 0.837 14.878 -11.257 1.00 1.00 C ATOM 1245 O GLU A 77 1.558 15.781 -11.679 1.00 1.00 O ATOM 1246 CB GLU A 77 -1.682 14.745 -11.470 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.851 14.589 -12.479 1.00 1.00 C ATOM 1248 CD GLU A 77 -4.203 14.882 -11.807 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -4.224 15.124 -10.606 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -5.202 14.851 -12.504 1.00 1.00 O ATOM 0 H GLU A 77 -0.967 12.348 -11.743 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.279 14.749 -13.112 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -1.875 14.131 -10.590 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -1.628 15.780 -11.131 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.704 15.268 -13.319 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.854 13.577 -12.884 1.00 1.00 H new ATOM 1257 N LEU A 78 1.010 14.313 -10.066 1.00 1.00 N ATOM 1258 CA LEU A 78 2.078 14.714 -9.149 1.00 1.00 C ATOM 1259 C LEU A 78 3.444 14.492 -9.819 1.00 1.00 C ATOM 1260 O LEU A 78 4.359 15.303 -9.676 1.00 1.00 O ATOM 1261 CB LEU A 78 1.966 13.883 -7.839 1.00 1.00 C ATOM 1262 CG LEU A 78 0.671 14.262 -7.014 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.356 13.147 -5.985 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.862 15.607 -6.243 1.00 1.00 C ATOM 0 H LEU A 78 0.416 13.565 -9.707 1.00 1.00 H new ATOM 0 HA LEU A 78 1.982 15.772 -8.905 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.944 12.821 -8.083 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.851 14.051 -7.225 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.150 14.371 -7.722 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.537 13.415 -5.420 1.00 1.00 H new ATOM 0 HD12 LEU A 78 0.186 12.206 -6.509 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.197 13.035 -5.301 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.046 15.839 -5.686 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.699 15.514 -5.551 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.067 16.408 -6.954 1.00 1.00 H new ATOM 1276 N ALA A 79 3.573 13.393 -10.556 1.00 1.00 N ATOM 1277 CA ALA A 79 4.832 13.082 -11.256 1.00 1.00 C ATOM 1278 C ALA A 79 5.148 14.175 -12.286 1.00 1.00 C ATOM 1279 O ALA A 79 6.276 14.663 -12.343 1.00 1.00 O ATOM 1280 CB ALA A 79 4.740 11.711 -11.938 1.00 1.00 C ATOM 0 H ALA A 79 2.833 12.703 -10.688 1.00 1.00 H new ATOM 0 HA ALA A 79 5.640 13.048 -10.525 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.678 11.496 -12.451 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.552 10.943 -11.187 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.925 11.718 -12.661 1.00 1.00 H new ATOM 1286 N ARG A 80 4.151 14.581 -13.067 1.00 1.00 N ATOM 1287 CA ARG A 80 4.324 15.643 -14.069 1.00 1.00 C ATOM 1288 C ARG A 80 4.597 16.966 -13.360 1.00 1.00 C ATOM 1289 O ARG A 80 5.449 17.750 -13.777 1.00 1.00 O ATOM 1290 CB ARG A 80 3.051 15.745 -14.958 1.00 1.00 C ATOM 1291 CG ARG A 80 2.938 14.513 -15.896 1.00 1.00 C ATOM 1292 CD ARG A 80 1.616 14.561 -16.687 1.00 1.00 C ATOM 1293 NE ARG A 80 1.569 15.769 -17.514 1.00 1.00 N ATOM 1294 CZ ARG A 80 0.486 16.107 -18.225 1.00 1.00 C ATOM 1295 NH1 ARG A 80 -0.579 15.347 -18.225 1.00 1.00 N ATOM 1296 NH2 ARG A 80 0.495 17.207 -18.926 1.00 1.00 N ATOM 0 H ARG A 80 3.209 14.192 -13.029 1.00 1.00 H new ATOM 0 HA ARG A 80 5.171 15.407 -14.713 1.00 1.00 H new ATOM 0 HB2 ARG A 80 2.165 15.811 -14.327 1.00 1.00 H new ATOM 0 HB3 ARG A 80 3.088 16.658 -15.552 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.782 14.494 -16.586 1.00 1.00 H new ATOM 0 HG3 ARG A 80 2.985 13.595 -15.309 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.527 13.676 -17.317 1.00 1.00 H new ATOM 0 HD3 ARG A 80 0.771 14.549 -15.999 1.00 1.00 H new ATOM 0 HE ARG A 80 2.390 16.374 -17.549 1.00 1.00 H new ATOM 0 HH11 ARG A 80 -0.591 14.486 -17.679 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -1.397 15.616 -18.771 1.00 1.00 H new ATOM 0 HH21 ARG A 80 1.323 17.803 -18.930 1.00 1.00 H new ATOM 0 HH22 ARG A 80 -0.326 17.472 -19.470 1.00 1.00 H new ATOM 1310 N GLN A 81 3.873 17.208 -12.272 1.00 1.00 N ATOM 1311 CA GLN A 81 4.030 18.435 -11.489 1.00 1.00 C ATOM 1312 C GLN A 81 5.436 18.494 -10.887 1.00 1.00 C ATOM 1313 O GLN A 81 6.038 19.564 -10.801 1.00 1.00 O ATOM 1314 CB GLN A 81 2.963 18.470 -10.375 1.00 1.00 C ATOM 1315 CG GLN A 81 2.956 19.838 -9.656 1.00 1.00 C ATOM 1316 CD GLN A 81 1.892 19.849 -8.557 1.00 1.00 C ATOM 1317 OE1 GLN A 81 1.970 19.065 -7.610 1.00 1.00 O ATOM 1318 NE2 GLN A 81 0.896 20.689 -8.629 1.00 1.00 N ATOM 0 H GLN A 81 3.167 16.568 -11.908 1.00 1.00 H new ATOM 0 HA GLN A 81 3.896 19.302 -12.136 1.00 1.00 H new ATOM 0 HB2 GLN A 81 1.979 18.275 -10.803 1.00 1.00 H new ATOM 0 HB3 GLN A 81 3.160 17.677 -9.653 1.00 1.00 H new ATOM 0 HG2 GLN A 81 3.937 20.036 -9.225 1.00 1.00 H new ATOM 0 HG3 GLN A 81 2.757 20.634 -10.374 1.00 1.00 H new ATOM 0 HE21 GLN A 81 0.832 21.338 -9.413 1.00 1.00 H new ATOM 0 HE22 GLN A 81 0.182 20.697 -7.901 1.00 1.00 H new ATOM 1327 N CYS A 82 5.964 17.344 -10.479 1.00 1.00 N ATOM 1328 CA CYS A 82 7.298 17.258 -9.885 1.00 1.00 C ATOM 1329 C CYS A 82 8.359 17.714 -10.879 1.00 1.00 C ATOM 1330 O CYS A 82 9.292 18.435 -10.525 1.00 1.00 O ATOM 1331 CB CYS A 82 7.578 15.812 -9.439 1.00 1.00 C ATOM 1332 SG CYS A 82 9.168 15.742 -8.576 1.00 1.00 S ATOM 0 H CYS A 82 5.483 16.447 -10.550 1.00 1.00 H new ATOM 0 HA CYS A 82 7.336 17.915 -9.016 1.00 1.00 H new ATOM 0 HB2 CYS A 82 6.781 15.462 -8.783 1.00 1.00 H new ATOM 0 HB3 CYS A 82 7.593 15.150 -10.305 1.00 1.00 H new ATOM 0 HG CYS A 82 9.403 14.521 -8.198 1.00 1.00 H new