USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 648 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 35 LYS NZ :NH3+ 162:sc= 1.49 (180deg=0.823) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.595 K(o=2.1,f=-8.7!) USER MOD Single : A 7 GLN : amide:sc= -2.6! C(o=-2.6!,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.903) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 96:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 2.03 (180deg=1.78) USER MOD Single : A 29 THR OG1 : rot -126:sc= -1.53! USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.261 USER MOD Single : A 32 SER OG : rot 55:sc= 0.451 USER MOD Single : A 37 THR OG1 : rot 68:sc= 0.672 USER MOD Single : A 40 SER OG : rot 80:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 0.489 (180deg=0.357) USER MOD Single : A 48 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.029) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 1.59 (180deg=0.532!) USER MOD Single : A 52 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 2.07 (180deg=0.941) USER MOD Single : A 60 SER OG : rot 28:sc= 0.584 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.06) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 1.17 (180deg=1.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.04) USER MOD Single : A 74 TYR OH : rot -141:sc= 0.179 USER MOD Single : A 86 THR OG1 : rot 82:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -121:sc= -1.98 (180deg=-7.23!) USER MOD Single : A 89 HIS : no HE2:sc= -0.442 K(o=-0.44,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.638 -2.826 0.996 1.00 0.00 N ATOM 90 CA GLN A 7 13.325 -2.896 2.237 1.00 0.00 C ATOM 91 C GLN A 7 14.001 -4.246 2.355 1.00 0.00 C ATOM 92 O GLN A 7 14.094 -4.980 1.369 1.00 0.00 O ATOM 93 CB GLN A 7 12.331 -2.715 3.364 1.00 0.00 C ATOM 94 CG GLN A 7 11.541 -1.427 3.277 1.00 0.00 C ATOM 95 CD GLN A 7 12.425 -0.198 3.190 1.00 0.00 C ATOM 96 OE1 GLN A 7 13.549 -0.170 3.706 1.00 0.00 O ATOM 97 NE2 GLN A 7 11.933 0.817 2.560 1.00 0.00 N ATOM 0 HA GLN A 7 14.079 -2.111 2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.638 -3.557 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.864 -2.741 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.891 -1.464 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.895 -1.343 4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.002 0.758 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.475 1.677 2.476 1.00 0.00 H new ATOM 106 N LEU A 8 14.475 -4.575 3.534 1.00 0.00 N ATOM 107 CA LEU A 8 15.106 -5.855 3.740 1.00 0.00 C ATOM 108 C LEU A 8 14.193 -6.793 4.503 1.00 0.00 C ATOM 109 O LEU A 8 13.535 -6.386 5.450 1.00 0.00 O ATOM 110 CB LEU A 8 16.505 -5.767 4.404 1.00 0.00 C ATOM 111 CG LEU A 8 16.672 -5.046 5.759 1.00 0.00 C ATOM 112 CD1 LEU A 8 18.037 -5.389 6.334 1.00 0.00 C ATOM 113 CD2 LEU A 8 16.592 -3.529 5.587 1.00 0.00 C ATOM 0 H LEU A 8 14.436 -3.977 4.360 1.00 0.00 H new ATOM 0 HA LEU A 8 15.280 -6.265 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.868 -6.787 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.171 -5.279 3.693 1.00 0.00 H new ATOM 0 HG LEU A 8 15.871 -5.371 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.166 -4.885 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.110 -6.467 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.815 -5.062 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.713 -3.046 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.383 -3.197 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.623 -3.261 5.166 1.00 0.00 H new ATOM 125 N GLU A 9 14.140 -8.044 4.098 1.00 0.00 N ATOM 126 CA GLU A 9 13.277 -8.981 4.749 1.00 0.00 C ATOM 127 C GLU A 9 14.019 -9.639 5.882 1.00 0.00 C ATOM 128 O GLU A 9 15.164 -10.091 5.722 1.00 0.00 O ATOM 129 CB GLU A 9 12.745 -10.083 3.809 1.00 0.00 C ATOM 130 CG GLU A 9 11.971 -9.638 2.557 1.00 0.00 C ATOM 131 CD GLU A 9 12.818 -8.921 1.534 1.00 0.00 C ATOM 132 OE1 GLU A 9 13.903 -9.440 1.179 1.00 0.00 O ATOM 133 OE2 GLU A 9 12.405 -7.853 1.036 1.00 0.00 O ATOM 0 H GLU A 9 14.685 -8.425 3.324 1.00 0.00 H new ATOM 0 HA GLU A 9 12.418 -8.413 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.593 -10.685 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.095 -10.736 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.520 -10.514 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.154 -8.983 2.861 1.00 0.00 H new ATOM 140 N ILE A 10 13.384 -9.681 7.012 1.00 0.00 N ATOM 141 CA ILE A 10 13.949 -10.258 8.197 1.00 0.00 C ATOM 142 C ILE A 10 13.039 -11.353 8.692 1.00 0.00 C ATOM 143 O ILE A 10 11.809 -11.213 8.660 1.00 0.00 O ATOM 144 CB ILE A 10 14.117 -9.189 9.333 1.00 0.00 C ATOM 145 CG1 ILE A 10 14.977 -8.001 8.832 1.00 0.00 C ATOM 146 CG2 ILE A 10 14.730 -9.820 10.586 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.206 -6.898 9.841 1.00 0.00 C ATOM 0 H ILE A 10 12.443 -9.310 7.141 1.00 0.00 H new ATOM 0 HA ILE A 10 14.934 -10.653 7.947 1.00 0.00 H new ATOM 0 HB ILE A 10 13.131 -8.809 9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.946 -8.385 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.497 -7.572 7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.837 -9.061 11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.080 -10.617 10.947 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.710 -10.232 10.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.818 -6.116 9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.247 -6.479 10.145 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.718 -7.304 10.714 1.00 0.00 H new ATOM 159 N LYS A 11 13.618 -12.438 9.090 1.00 0.00 N ATOM 160 CA LYS A 11 12.871 -13.497 9.708 1.00 0.00 C ATOM 161 C LYS A 11 13.445 -13.778 11.082 1.00 0.00 C ATOM 162 O LYS A 11 14.624 -13.479 11.349 1.00 0.00 O ATOM 163 CB LYS A 11 12.830 -14.777 8.867 1.00 0.00 C ATOM 164 CG LYS A 11 14.149 -15.496 8.682 1.00 0.00 C ATOM 165 CD LYS A 11 13.912 -16.804 7.960 1.00 0.00 C ATOM 166 CE LYS A 11 15.170 -17.632 7.847 1.00 0.00 C ATOM 167 NZ LYS A 11 14.889 -18.946 7.229 1.00 0.00 N ATOM 0 H LYS A 11 14.617 -12.620 8.999 1.00 0.00 H new ATOM 0 HA LYS A 11 11.838 -13.161 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.125 -15.468 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.434 -14.528 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.838 -14.873 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.613 -15.682 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.150 -17.376 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.523 -16.601 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.909 -17.097 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.604 -17.777 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.579 -19.645 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.929 -19.253 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.961 -18.866 6.195 1.00 0.00 H new ATOM 181 N PHE A 12 12.644 -14.341 11.937 1.00 0.00 N ATOM 182 CA PHE A 12 13.054 -14.609 13.293 1.00 0.00 C ATOM 183 C PHE A 12 13.311 -16.083 13.461 1.00 0.00 C ATOM 184 O PHE A 12 12.417 -16.899 13.248 1.00 0.00 O ATOM 185 CB PHE A 12 11.969 -14.157 14.275 1.00 0.00 C ATOM 186 CG PHE A 12 11.593 -12.712 14.124 1.00 0.00 C ATOM 187 CD1 PHE A 12 12.387 -11.720 14.664 1.00 0.00 C ATOM 188 CD2 PHE A 12 10.443 -12.349 13.435 1.00 0.00 C ATOM 189 CE1 PHE A 12 12.047 -10.393 14.523 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.095 -11.024 13.291 1.00 0.00 C ATOM 191 CZ PHE A 12 10.899 -10.044 13.835 1.00 0.00 C ATOM 0 H PHE A 12 11.690 -14.629 11.720 1.00 0.00 H new ATOM 0 HA PHE A 12 13.969 -14.055 13.502 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.081 -14.773 14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.316 -14.330 15.294 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.284 -11.987 15.203 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.814 -13.115 13.007 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.676 -9.626 14.949 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.197 -10.754 12.755 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.632 -9.003 13.724 1.00 0.00 H new ATOM 201 N ARG A 13 14.515 -16.429 13.822 1.00 0.00 N ATOM 202 CA ARG A 13 14.861 -17.809 14.020 1.00 0.00 C ATOM 203 C ARG A 13 15.097 -18.083 15.482 1.00 0.00 C ATOM 204 O ARG A 13 15.970 -17.484 16.112 1.00 0.00 O ATOM 205 CB ARG A 13 16.050 -18.220 13.148 1.00 0.00 C ATOM 206 CG ARG A 13 16.481 -19.675 13.298 1.00 0.00 C ATOM 207 CD ARG A 13 17.516 -20.042 12.249 1.00 0.00 C ATOM 208 NE ARG A 13 18.015 -21.413 12.407 1.00 0.00 N ATOM 209 CZ ARG A 13 18.178 -22.299 11.409 1.00 0.00 C ATOM 210 NH1 ARG A 13 17.787 -22.012 10.166 1.00 0.00 N ATOM 211 NH2 ARG A 13 18.718 -23.478 11.660 1.00 0.00 N ATOM 0 H ARG A 13 15.277 -15.771 13.986 1.00 0.00 H new ATOM 0 HA ARG A 13 14.022 -18.427 13.701 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.797 -18.037 12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.898 -17.578 13.388 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.893 -19.836 14.294 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.613 -20.328 13.203 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.078 -19.930 11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.352 -19.345 12.309 1.00 0.00 H new ATOM 0 HE ARG A 13 18.258 -21.718 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.357 -21.110 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.918 -22.695 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.010 -23.714 12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.843 -24.153 10.905 1.00 0.00 H new ATOM 225 N LEU A 14 14.302 -18.974 16.004 1.00 0.00 N ATOM 226 CA LEU A 14 14.314 -19.360 17.395 1.00 0.00 C ATOM 227 C LEU A 14 15.616 -20.053 17.777 1.00 0.00 C ATOM 228 O LEU A 14 16.405 -20.462 16.914 1.00 0.00 O ATOM 229 CB LEU A 14 13.122 -20.297 17.722 1.00 0.00 C ATOM 230 CG LEU A 14 11.691 -19.704 17.809 1.00 0.00 C ATOM 231 CD1 LEU A 14 11.593 -18.733 18.945 1.00 0.00 C ATOM 232 CD2 LEU A 14 11.234 -19.058 16.507 1.00 0.00 C ATOM 0 H LEU A 14 13.601 -19.472 15.456 1.00 0.00 H new ATOM 0 HA LEU A 14 14.224 -18.443 17.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.106 -21.082 16.966 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.336 -20.778 18.677 1.00 0.00 H new ATOM 0 HG LEU A 14 11.016 -20.540 17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.582 -18.327 18.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.822 -19.243 19.881 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.304 -17.921 18.792 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.226 -18.662 16.631 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.913 -18.246 16.246 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.235 -19.803 15.711 1.00 0.00 H new ATOM 244 N THR A 15 15.799 -20.217 19.066 1.00 0.00 N ATOM 245 CA THR A 15 16.979 -20.824 19.635 1.00 0.00 C ATOM 246 C THR A 15 17.147 -22.279 19.157 1.00 0.00 C ATOM 247 O THR A 15 18.266 -22.754 18.945 1.00 0.00 O ATOM 248 CB THR A 15 16.912 -20.755 21.194 1.00 0.00 C ATOM 249 OG1 THR A 15 18.118 -21.243 21.792 1.00 0.00 O ATOM 250 CG2 THR A 15 15.714 -21.528 21.752 1.00 0.00 C ATOM 0 H THR A 15 15.115 -19.925 19.765 1.00 0.00 H new ATOM 0 HA THR A 15 17.851 -20.267 19.294 1.00 0.00 H new ATOM 0 HB THR A 15 16.791 -19.702 21.450 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.046 -21.186 22.768 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.707 -21.453 22.839 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.791 -21.106 21.353 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.790 -22.576 21.461 1.00 0.00 H new ATOM 258 N ASP A 16 16.027 -22.949 18.950 1.00 0.00 N ATOM 259 CA ASP A 16 16.008 -24.354 18.526 1.00 0.00 C ATOM 260 C ASP A 16 16.181 -24.489 17.015 1.00 0.00 C ATOM 261 O ASP A 16 16.264 -25.591 16.489 1.00 0.00 O ATOM 262 CB ASP A 16 14.714 -25.043 18.972 1.00 0.00 C ATOM 263 CG ASP A 16 13.480 -24.487 18.308 1.00 0.00 C ATOM 264 OD1 ASP A 16 13.091 -23.347 18.612 1.00 0.00 O ATOM 265 OD2 ASP A 16 12.877 -25.184 17.474 1.00 0.00 O ATOM 0 H ASP A 16 15.100 -22.541 19.069 1.00 0.00 H new ATOM 0 HA ASP A 16 16.852 -24.847 19.008 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.785 -26.109 18.755 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.612 -24.944 20.053 1.00 0.00 H new ATOM 270 N GLY A 17 16.243 -23.366 16.330 1.00 0.00 N ATOM 271 CA GLY A 17 16.471 -23.373 14.903 1.00 0.00 C ATOM 272 C GLY A 17 15.211 -23.298 14.068 1.00 0.00 C ATOM 273 O GLY A 17 15.280 -23.344 12.840 1.00 0.00 O ATOM 0 H GLY A 17 16.139 -22.438 16.740 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.113 -22.531 14.646 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.014 -24.280 14.639 1.00 0.00 H new ATOM 277 N SER A 18 14.075 -23.172 14.704 1.00 0.00 N ATOM 278 CA SER A 18 12.842 -22.997 13.967 1.00 0.00 C ATOM 279 C SER A 18 12.682 -21.523 13.640 1.00 0.00 C ATOM 280 O SER A 18 12.963 -20.679 14.472 1.00 0.00 O ATOM 281 CB SER A 18 11.668 -23.508 14.785 1.00 0.00 C ATOM 282 OG SER A 18 11.835 -24.891 15.090 1.00 0.00 O ATOM 0 H SER A 18 13.974 -23.186 15.719 1.00 0.00 H new ATOM 0 HA SER A 18 12.871 -23.569 13.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.583 -22.934 15.708 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.740 -23.361 14.232 1.00 0.00 H new ATOM 0 HG SER A 18 12.227 -24.984 15.983 1.00 0.00 H new ATOM 288 N ASP A 19 12.268 -21.210 12.451 1.00 0.00 N ATOM 289 CA ASP A 19 12.170 -19.848 12.032 1.00 0.00 C ATOM 290 C ASP A 19 10.765 -19.460 11.628 1.00 0.00 C ATOM 291 O ASP A 19 9.965 -20.298 11.199 1.00 0.00 O ATOM 292 CB ASP A 19 13.193 -19.541 10.930 1.00 0.00 C ATOM 293 CG ASP A 19 13.086 -20.427 9.702 1.00 0.00 C ATOM 294 OD1 ASP A 19 13.399 -21.623 9.792 1.00 0.00 O ATOM 295 OD2 ASP A 19 12.761 -19.924 8.614 1.00 0.00 O ATOM 0 H ASP A 19 11.989 -21.891 11.745 1.00 0.00 H new ATOM 0 HA ASP A 19 12.412 -19.228 12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.075 -18.502 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.196 -19.639 11.346 1.00 0.00 H new ATOM 300 N ILE A 20 10.475 -18.192 11.776 1.00 0.00 N ATOM 301 CA ILE A 20 9.177 -17.623 11.473 1.00 0.00 C ATOM 302 C ILE A 20 9.299 -16.846 10.175 1.00 0.00 C ATOM 303 O ILE A 20 10.323 -16.200 9.949 1.00 0.00 O ATOM 304 CB ILE A 20 8.708 -16.651 12.614 1.00 0.00 C ATOM 305 CG1 ILE A 20 8.669 -17.390 13.965 1.00 0.00 C ATOM 306 CG2 ILE A 20 7.332 -16.048 12.297 1.00 0.00 C ATOM 307 CD1 ILE A 20 8.263 -16.516 15.141 1.00 0.00 C ATOM 0 H ILE A 20 11.148 -17.506 12.119 1.00 0.00 H new ATOM 0 HA ILE A 20 8.442 -18.424 11.386 1.00 0.00 H new ATOM 0 HB ILE A 20 9.428 -15.835 12.679 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.973 -18.225 13.890 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.654 -17.813 14.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.033 -15.379 13.104 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.386 -15.488 11.363 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.598 -16.848 12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.260 -17.112 16.054 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.972 -15.695 15.246 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.265 -16.114 14.968 1.00 0.00 H new ATOM 319 N GLY A 21 8.270 -16.942 9.335 1.00 0.00 N ATOM 320 CA GLY A 21 8.246 -16.321 8.016 1.00 0.00 C ATOM 321 C GLY A 21 8.734 -14.873 7.976 1.00 0.00 C ATOM 322 O GLY A 21 8.374 -14.058 8.842 1.00 0.00 O ATOM 0 H GLY A 21 7.420 -17.460 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.861 -16.915 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.226 -16.356 7.633 1.00 0.00 H new ATOM 326 N PRO A 22 9.564 -14.544 6.971 1.00 0.00 N ATOM 327 CA PRO A 22 10.163 -13.217 6.802 1.00 0.00 C ATOM 328 C PRO A 22 9.178 -12.124 6.389 1.00 0.00 C ATOM 329 O PRO A 22 8.192 -12.379 5.694 1.00 0.00 O ATOM 330 CB PRO A 22 11.198 -13.415 5.697 1.00 0.00 C ATOM 331 CG PRO A 22 10.718 -14.588 4.922 1.00 0.00 C ATOM 332 CD PRO A 22 9.996 -15.474 5.897 1.00 0.00 C ATOM 0 HA PRO A 22 10.569 -12.871 7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.274 -12.530 5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.189 -13.596 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.054 -14.276 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.552 -15.117 4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.144 -15.970 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.648 -16.257 6.284 1.00 0.00 H new ATOM 340 N LYS A 23 9.446 -10.925 6.856 1.00 0.00 N ATOM 341 CA LYS A 23 8.691 -9.729 6.492 1.00 0.00 C ATOM 342 C LYS A 23 9.664 -8.687 6.075 1.00 0.00 C ATOM 343 O LYS A 23 10.843 -8.812 6.364 1.00 0.00 O ATOM 344 CB LYS A 23 7.834 -9.127 7.627 1.00 0.00 C ATOM 345 CG LYS A 23 6.697 -9.966 8.151 1.00 0.00 C ATOM 346 CD LYS A 23 7.170 -11.056 9.081 1.00 0.00 C ATOM 347 CE LYS A 23 6.009 -11.880 9.575 1.00 0.00 C ATOM 348 NZ LYS A 23 6.448 -12.922 10.510 1.00 0.00 N ATOM 0 H LYS A 23 10.206 -10.742 7.511 1.00 0.00 H new ATOM 0 HA LYS A 23 8.001 -10.034 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.495 -8.894 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.422 -8.182 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.988 -9.326 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.162 -10.413 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.883 -11.698 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.695 -10.615 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.284 -11.231 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.502 -12.341 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.665 -13.583 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.252 -13.439 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.738 -12.483 11.407 1.00 0.00 H new ATOM 362 N ALA A 24 9.196 -7.666 5.425 1.00 0.00 N ATOM 363 CA ALA A 24 10.076 -6.597 5.010 1.00 0.00 C ATOM 364 C ALA A 24 10.162 -5.558 6.104 1.00 0.00 C ATOM 365 O ALA A 24 9.141 -5.034 6.565 1.00 0.00 O ATOM 366 CB ALA A 24 9.609 -5.964 3.710 1.00 0.00 C ATOM 0 H ALA A 24 8.217 -7.543 5.168 1.00 0.00 H new ATOM 0 HA ALA A 24 11.066 -7.017 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.294 -5.164 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.590 -6.719 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.608 -5.554 3.844 1.00 0.00 H new ATOM 372 N PHE A 25 11.351 -5.289 6.539 1.00 0.00 N ATOM 373 CA PHE A 25 11.603 -4.307 7.552 1.00 0.00 C ATOM 374 C PHE A 25 12.501 -3.263 6.971 1.00 0.00 C ATOM 375 O PHE A 25 13.579 -3.579 6.473 1.00 0.00 O ATOM 376 CB PHE A 25 12.314 -4.910 8.764 1.00 0.00 C ATOM 377 CG PHE A 25 11.592 -6.014 9.470 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.534 -7.263 8.913 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.011 -5.814 10.708 1.00 0.00 C ATOM 380 CE1 PHE A 25 10.922 -8.298 9.554 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.383 -6.858 11.357 1.00 0.00 C ATOM 382 CZ PHE A 25 10.351 -8.105 10.766 1.00 0.00 C ATOM 0 H PHE A 25 12.192 -5.753 6.196 1.00 0.00 H new ATOM 0 HA PHE A 25 10.647 -3.898 7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.284 -5.287 8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.506 -4.112 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.983 -7.432 7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.048 -4.838 11.169 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.892 -9.275 9.094 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.920 -6.700 12.320 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.869 -8.929 11.272 1.00 0.00 H new ATOM 392 N PRO A 26 12.063 -2.033 6.950 1.00 0.00 N ATOM 393 CA PRO A 26 12.895 -0.925 6.523 1.00 0.00 C ATOM 394 C PRO A 26 14.129 -0.766 7.400 1.00 0.00 C ATOM 395 O PRO A 26 14.101 -1.075 8.594 1.00 0.00 O ATOM 396 CB PRO A 26 11.999 0.301 6.682 1.00 0.00 C ATOM 397 CG PRO A 26 10.614 -0.228 6.687 1.00 0.00 C ATOM 398 CD PRO A 26 10.697 -1.601 7.286 1.00 0.00 C ATOM 0 HA PRO A 26 13.260 -1.074 5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.221 0.833 7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.148 1.006 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.954 0.413 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.208 -0.267 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.535 -1.581 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.948 -2.270 6.864 1.00 0.00 H new ATOM 406 N ASP A 27 15.207 -0.272 6.812 1.00 0.00 N ATOM 407 CA ASP A 27 16.442 -0.030 7.557 1.00 0.00 C ATOM 408 C ASP A 27 16.206 1.013 8.653 1.00 0.00 C ATOM 409 O ASP A 27 16.935 1.061 9.640 1.00 0.00 O ATOM 410 CB ASP A 27 17.589 0.427 6.633 1.00 0.00 C ATOM 411 CG ASP A 27 17.349 1.777 5.983 1.00 0.00 C ATOM 412 OD1 ASP A 27 16.757 1.820 4.869 1.00 0.00 O ATOM 413 OD2 ASP A 27 17.749 2.800 6.555 1.00 0.00 O ATOM 0 H ASP A 27 15.256 -0.030 5.822 1.00 0.00 H new ATOM 0 HA ASP A 27 16.738 -0.974 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 27 18.513 0.471 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.735 -0.321 5.853 1.00 0.00 H new ATOM 418 N ALA A 28 15.165 1.826 8.468 1.00 0.00 N ATOM 419 CA ALA A 28 14.788 2.855 9.421 1.00 0.00 C ATOM 420 C ALA A 28 13.939 2.294 10.574 1.00 0.00 C ATOM 421 O ALA A 28 13.545 3.037 11.487 1.00 0.00 O ATOM 422 CB ALA A 28 14.051 3.979 8.719 1.00 0.00 C ATOM 0 H ALA A 28 14.561 1.784 7.647 1.00 0.00 H new ATOM 0 HA ALA A 28 15.707 3.247 9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.775 4.743 9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.697 4.418 7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.151 3.585 8.247 1.00 0.00 H new ATOM 428 N THR A 29 13.645 1.007 10.532 1.00 0.00 N ATOM 429 CA THR A 29 12.912 0.358 11.606 1.00 0.00 C ATOM 430 C THR A 29 13.850 0.051 12.783 1.00 0.00 C ATOM 431 O THR A 29 14.989 -0.370 12.586 1.00 0.00 O ATOM 432 CB THR A 29 12.219 -0.923 11.097 1.00 0.00 C ATOM 433 OG1 THR A 29 11.263 -0.554 10.099 1.00 0.00 O ATOM 434 CG2 THR A 29 11.510 -1.673 12.216 1.00 0.00 C ATOM 0 H THR A 29 13.903 0.388 9.763 1.00 0.00 H new ATOM 0 HA THR A 29 12.136 1.038 11.959 1.00 0.00 H new ATOM 0 HB THR A 29 12.981 -1.586 10.688 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.385 -0.920 10.336 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.037 -2.568 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.235 -1.959 12.978 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.750 -1.030 12.661 1.00 0.00 H new ATOM 442 N THR A 30 13.385 0.290 13.984 1.00 0.00 N ATOM 443 CA THR A 30 14.192 0.093 15.153 1.00 0.00 C ATOM 444 C THR A 30 14.106 -1.342 15.660 1.00 0.00 C ATOM 445 O THR A 30 13.198 -2.092 15.287 1.00 0.00 O ATOM 446 CB THR A 30 13.746 1.037 16.277 1.00 0.00 C ATOM 447 OG1 THR A 30 12.365 0.776 16.600 1.00 0.00 O ATOM 448 CG2 THR A 30 13.898 2.485 15.853 1.00 0.00 C ATOM 0 H THR A 30 12.440 0.625 14.174 1.00 0.00 H new ATOM 0 HA THR A 30 15.223 0.307 14.870 1.00 0.00 H new ATOM 0 HB THR A 30 14.374 0.861 17.150 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.032 1.475 17.200 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.576 3.137 16.665 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.943 2.687 15.617 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.284 2.672 14.972 1.00 0.00 H new ATOM 456 N VAL A 31 15.045 -1.715 16.517 1.00 0.00 N ATOM 457 CA VAL A 31 15.032 -3.020 17.175 1.00 0.00 C ATOM 458 C VAL A 31 13.822 -3.092 18.116 1.00 0.00 C ATOM 459 O VAL A 31 13.283 -4.168 18.393 1.00 0.00 O ATOM 460 CB VAL A 31 16.349 -3.253 17.962 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.340 -4.588 18.703 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.534 -3.187 17.018 1.00 0.00 C ATOM 0 H VAL A 31 15.836 -1.126 16.777 1.00 0.00 H new ATOM 0 HA VAL A 31 14.954 -3.803 16.421 1.00 0.00 H new ATOM 0 HB VAL A 31 16.434 -2.464 18.709 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.280 -4.712 19.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.512 -4.605 19.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.222 -5.401 17.987 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.455 -3.351 17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.433 -3.956 16.252 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.568 -2.206 16.544 1.00 0.00 H new ATOM 472 N SER A 32 13.389 -1.933 18.576 1.00 0.00 N ATOM 473 CA SER A 32 12.218 -1.838 19.406 1.00 0.00 C ATOM 474 C SER A 32 10.985 -2.307 18.606 1.00 0.00 C ATOM 475 O SER A 32 10.238 -3.176 19.052 1.00 0.00 O ATOM 476 CB SER A 32 12.041 -0.394 19.868 1.00 0.00 C ATOM 477 OG SER A 32 13.214 0.070 20.539 1.00 0.00 O ATOM 0 H SER A 32 13.841 -1.039 18.382 1.00 0.00 H new ATOM 0 HA SER A 32 12.330 -2.475 20.283 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.831 0.244 19.010 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.182 -0.323 20.536 1.00 0.00 H new ATOM 0 HG SER A 32 13.994 -0.056 19.959 1.00 0.00 H new ATOM 483 N ALA A 33 10.831 -1.772 17.389 1.00 0.00 N ATOM 484 CA ALA A 33 9.710 -2.125 16.512 1.00 0.00 C ATOM 485 C ALA A 33 9.859 -3.545 15.969 1.00 0.00 C ATOM 486 O ALA A 33 8.871 -4.199 15.579 1.00 0.00 O ATOM 487 CB ALA A 33 9.599 -1.136 15.381 1.00 0.00 C ATOM 0 H ALA A 33 11.473 -1.089 16.988 1.00 0.00 H new ATOM 0 HA ALA A 33 8.794 -2.087 17.102 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.763 -1.411 14.738 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.433 -0.138 15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.521 -1.143 14.800 1.00 0.00 H new ATOM 493 N LEU A 34 11.086 -4.015 15.950 1.00 0.00 N ATOM 494 CA LEU A 34 11.415 -5.326 15.555 1.00 0.00 C ATOM 495 C LEU A 34 10.761 -6.313 16.540 1.00 0.00 C ATOM 496 O LEU A 34 10.160 -7.308 16.136 1.00 0.00 O ATOM 497 CB LEU A 34 12.940 -5.421 15.566 1.00 0.00 C ATOM 498 CG LEU A 34 13.551 -6.739 15.235 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.204 -7.166 13.817 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.050 -6.703 15.442 1.00 0.00 C ATOM 0 H LEU A 34 11.896 -3.459 16.223 1.00 0.00 H new ATOM 0 HA LEU A 34 11.050 -5.571 14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.328 -4.685 14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.288 -5.129 16.557 1.00 0.00 H new ATOM 0 HG LEU A 34 13.134 -7.482 15.914 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.664 -8.131 13.605 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.122 -7.250 13.717 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.577 -6.423 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.475 -7.676 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.488 -5.941 14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.268 -6.466 16.483 1.00 0.00 H new ATOM 512 N LYS A 35 10.834 -5.986 17.832 1.00 0.00 N ATOM 513 CA LYS A 35 10.194 -6.785 18.859 1.00 0.00 C ATOM 514 C LYS A 35 8.696 -6.632 18.826 1.00 0.00 C ATOM 515 O LYS A 35 7.976 -7.592 19.080 1.00 0.00 O ATOM 516 CB LYS A 35 10.703 -6.441 20.238 1.00 0.00 C ATOM 517 CG LYS A 35 12.129 -6.831 20.488 1.00 0.00 C ATOM 518 CD LYS A 35 12.527 -6.480 21.892 1.00 0.00 C ATOM 519 CE LYS A 35 13.923 -6.938 22.198 1.00 0.00 C ATOM 520 NZ LYS A 35 14.295 -6.621 23.584 1.00 0.00 N ATOM 0 H LYS A 35 11.333 -5.169 18.185 1.00 0.00 H new ATOM 0 HA LYS A 35 10.449 -7.823 18.643 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.601 -5.367 20.392 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.070 -6.931 20.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.254 -7.901 20.324 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.782 -6.321 19.780 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.458 -5.401 22.032 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.830 -6.938 22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.000 -8.013 22.035 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.623 -6.461 21.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.114 -7.198 23.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.541 -5.613 23.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.494 -6.828 24.214 1.00 0.00 H new ATOM 534 N GLU A 36 8.223 -5.428 18.500 1.00 0.00 N ATOM 535 CA GLU A 36 6.792 -5.157 18.394 1.00 0.00 C ATOM 536 C GLU A 36 6.162 -6.111 17.386 1.00 0.00 C ATOM 537 O GLU A 36 5.047 -6.598 17.579 1.00 0.00 O ATOM 538 CB GLU A 36 6.553 -3.716 17.942 1.00 0.00 C ATOM 539 CG GLU A 36 7.142 -2.654 18.856 1.00 0.00 C ATOM 540 CD GLU A 36 6.564 -2.664 20.243 1.00 0.00 C ATOM 541 OE1 GLU A 36 5.492 -2.051 20.451 1.00 0.00 O ATOM 542 OE2 GLU A 36 7.174 -3.248 21.150 1.00 0.00 O ATOM 0 H GLU A 36 8.816 -4.622 18.304 1.00 0.00 H new ATOM 0 HA GLU A 36 6.337 -5.302 19.374 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.972 -3.589 16.944 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.479 -3.549 17.860 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.220 -2.800 18.920 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.979 -1.673 18.411 1.00 0.00 H new ATOM 549 N THR A 37 6.902 -6.391 16.325 1.00 0.00 N ATOM 550 CA THR A 37 6.467 -7.311 15.298 1.00 0.00 C ATOM 551 C THR A 37 6.345 -8.737 15.885 1.00 0.00 C ATOM 552 O THR A 37 5.342 -9.426 15.673 1.00 0.00 O ATOM 553 CB THR A 37 7.461 -7.295 14.109 1.00 0.00 C ATOM 554 OG1 THR A 37 7.588 -5.934 13.609 1.00 0.00 O ATOM 555 CG2 THR A 37 6.980 -8.207 12.985 1.00 0.00 C ATOM 0 H THR A 37 7.822 -5.984 16.156 1.00 0.00 H new ATOM 0 HA THR A 37 5.489 -6.999 14.932 1.00 0.00 H new ATOM 0 HB THR A 37 8.428 -7.658 14.457 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.033 -5.378 14.282 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.694 -8.178 12.162 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.895 -9.228 13.356 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.006 -7.867 12.632 1.00 0.00 H new ATOM 563 N VAL A 38 7.348 -9.128 16.680 1.00 0.00 N ATOM 564 CA VAL A 38 7.386 -10.440 17.326 1.00 0.00 C ATOM 565 C VAL A 38 6.176 -10.601 18.233 1.00 0.00 C ATOM 566 O VAL A 38 5.427 -11.552 18.113 1.00 0.00 O ATOM 567 CB VAL A 38 8.678 -10.611 18.185 1.00 0.00 C ATOM 568 CG1 VAL A 38 8.730 -11.981 18.850 1.00 0.00 C ATOM 569 CG2 VAL A 38 9.922 -10.383 17.353 1.00 0.00 C ATOM 0 H VAL A 38 8.155 -8.542 16.892 1.00 0.00 H new ATOM 0 HA VAL A 38 7.379 -11.197 16.542 1.00 0.00 H new ATOM 0 HB VAL A 38 8.645 -9.855 18.970 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.643 -12.065 19.440 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.865 -12.102 19.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.720 -12.757 18.085 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.806 -10.509 17.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.950 -11.103 16.536 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.907 -9.372 16.945 1.00 0.00 H new ATOM 579 N ILE A 39 5.979 -9.620 19.098 1.00 0.00 N ATOM 580 CA ILE A 39 4.883 -9.612 20.084 1.00 0.00 C ATOM 581 C ILE A 39 3.518 -9.728 19.397 1.00 0.00 C ATOM 582 O ILE A 39 2.576 -10.297 19.945 1.00 0.00 O ATOM 583 CB ILE A 39 4.920 -8.323 20.951 1.00 0.00 C ATOM 584 CG1 ILE A 39 6.265 -8.200 21.633 1.00 0.00 C ATOM 585 CG2 ILE A 39 3.811 -8.324 22.011 1.00 0.00 C ATOM 586 CD1 ILE A 39 6.397 -6.956 22.445 1.00 0.00 C ATOM 0 H ILE A 39 6.575 -8.794 19.145 1.00 0.00 H new ATOM 0 HA ILE A 39 5.026 -10.478 20.731 1.00 0.00 H new ATOM 0 HB ILE A 39 4.759 -7.473 20.288 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.420 -9.066 22.277 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.051 -8.220 20.879 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.868 -7.407 22.598 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.839 -8.381 21.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.937 -9.184 22.668 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.383 -6.927 22.908 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.273 -6.086 21.800 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.631 -6.945 23.221 1.00 0.00 H new ATOM 598 N SER A 40 3.421 -9.177 18.216 1.00 0.00 N ATOM 599 CA SER A 40 2.191 -9.191 17.473 1.00 0.00 C ATOM 600 C SER A 40 1.825 -10.603 16.962 1.00 0.00 C ATOM 601 O SER A 40 0.646 -10.988 16.994 1.00 0.00 O ATOM 602 CB SER A 40 2.270 -8.196 16.320 1.00 0.00 C ATOM 603 OG SER A 40 2.537 -6.884 16.811 1.00 0.00 O ATOM 0 H SER A 40 4.193 -8.706 17.743 1.00 0.00 H new ATOM 0 HA SER A 40 1.392 -8.892 18.151 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.054 -8.497 15.625 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.332 -8.199 15.764 1.00 0.00 H new ATOM 0 HG SER A 40 3.495 -6.793 16.996 1.00 0.00 H new ATOM 609 N GLU A 41 2.814 -11.376 16.515 1.00 0.00 N ATOM 610 CA GLU A 41 2.556 -12.672 15.954 1.00 0.00 C ATOM 611 C GLU A 41 2.802 -13.830 16.915 1.00 0.00 C ATOM 612 O GLU A 41 2.244 -14.922 16.749 1.00 0.00 O ATOM 613 CB GLU A 41 3.351 -12.843 14.703 1.00 0.00 C ATOM 614 CG GLU A 41 4.847 -12.691 14.819 1.00 0.00 C ATOM 615 CD GLU A 41 5.463 -12.842 13.468 1.00 0.00 C ATOM 616 OE1 GLU A 41 5.207 -13.874 12.819 1.00 0.00 O ATOM 617 OE2 GLU A 41 6.137 -11.913 12.992 1.00 0.00 O ATOM 0 H GLU A 41 3.799 -11.113 16.537 1.00 0.00 H new ATOM 0 HA GLU A 41 1.490 -12.707 15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.141 -13.834 14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.992 -12.119 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.094 -11.715 15.237 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.249 -13.441 15.501 1.00 0.00 H new ATOM 624 N TRP A 42 3.637 -13.610 17.870 1.00 0.00 N ATOM 625 CA TRP A 42 3.944 -14.616 18.874 1.00 0.00 C ATOM 626 C TRP A 42 2.803 -14.660 19.883 1.00 0.00 C ATOM 627 O TRP A 42 2.283 -13.607 20.260 1.00 0.00 O ATOM 628 CB TRP A 42 5.263 -14.254 19.587 1.00 0.00 C ATOM 629 CG TRP A 42 5.777 -15.291 20.550 1.00 0.00 C ATOM 630 CD1 TRP A 42 5.459 -15.434 21.872 1.00 0.00 C ATOM 631 CD2 TRP A 42 6.715 -16.323 20.255 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.154 -16.482 22.415 1.00 0.00 N ATOM 633 CE2 TRP A 42 6.926 -17.051 21.441 1.00 0.00 C ATOM 634 CE3 TRP A 42 7.397 -16.702 19.102 1.00 0.00 C ATOM 635 CZ2 TRP A 42 7.792 -18.134 21.501 1.00 0.00 C ATOM 636 CZ3 TRP A 42 8.251 -17.775 19.167 1.00 0.00 C ATOM 637 CH2 TRP A 42 8.441 -18.479 20.358 1.00 0.00 C ATOM 0 H TRP A 42 4.138 -12.730 17.993 1.00 0.00 H new ATOM 0 HA TRP A 42 4.058 -15.592 18.402 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.028 -14.072 18.832 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.120 -13.318 20.128 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.761 -14.811 22.410 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.104 -16.788 23.387 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.257 -16.164 18.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.944 -18.681 22.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.786 -18.080 18.280 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.120 -19.318 20.371 1.00 0.00 H new ATOM 648 N PRO A 43 2.359 -15.860 20.302 1.00 0.00 N ATOM 649 CA PRO A 43 1.323 -15.992 21.322 1.00 0.00 C ATOM 650 C PRO A 43 1.756 -15.327 22.622 1.00 0.00 C ATOM 651 O PRO A 43 2.659 -15.805 23.297 1.00 0.00 O ATOM 652 CB PRO A 43 1.197 -17.501 21.528 1.00 0.00 C ATOM 653 CG PRO A 43 1.736 -18.101 20.283 1.00 0.00 C ATOM 654 CD PRO A 43 2.812 -17.172 19.808 1.00 0.00 C ATOM 0 HA PRO A 43 0.387 -15.519 21.025 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.761 -17.829 22.401 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.159 -17.793 21.690 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.136 -19.097 20.472 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.954 -18.209 19.531 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.787 -17.442 20.215 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.905 -17.184 18.722 1.00 0.00 H new ATOM 662 N ARG A 44 1.115 -14.233 22.963 1.00 0.00 N ATOM 663 CA ARG A 44 1.498 -13.456 24.132 1.00 0.00 C ATOM 664 C ARG A 44 1.159 -14.207 25.422 1.00 0.00 C ATOM 665 O ARG A 44 1.735 -13.955 26.476 1.00 0.00 O ATOM 666 CB ARG A 44 0.832 -12.083 24.097 1.00 0.00 C ATOM 667 CG ARG A 44 1.275 -11.134 25.200 1.00 0.00 C ATOM 668 CD ARG A 44 0.549 -9.812 25.095 1.00 0.00 C ATOM 669 NE ARG A 44 0.763 -9.175 23.794 1.00 0.00 N ATOM 670 CZ ARG A 44 0.039 -8.151 23.320 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.924 -7.608 24.067 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.283 -7.677 22.107 1.00 0.00 N ATOM 0 H ARG A 44 0.320 -13.855 22.448 1.00 0.00 H new ATOM 0 HA ARG A 44 2.578 -13.309 24.113 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.038 -11.619 23.132 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.248 -12.216 24.163 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.080 -11.584 26.173 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.351 -10.970 25.134 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.518 -9.970 25.251 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.891 -9.146 25.887 1.00 0.00 H new ATOM 0 HE ARG A 44 1.515 -9.536 23.207 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.111 -7.972 25.001 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.473 -6.829 23.704 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.020 -8.091 21.536 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.266 -6.898 21.744 1.00 0.00 H new ATOM 686 N GLU A 45 0.217 -15.116 25.322 1.00 0.00 N ATOM 687 CA GLU A 45 -0.195 -15.941 26.445 1.00 0.00 C ATOM 688 C GLU A 45 0.888 -16.983 26.795 1.00 0.00 C ATOM 689 O GLU A 45 0.939 -17.473 27.932 1.00 0.00 O ATOM 690 CB GLU A 45 -1.515 -16.647 26.099 1.00 0.00 C ATOM 691 CG GLU A 45 -2.047 -17.565 27.185 1.00 0.00 C ATOM 692 CD GLU A 45 -3.317 -18.263 26.789 1.00 0.00 C ATOM 693 OE1 GLU A 45 -3.247 -19.288 26.064 1.00 0.00 O ATOM 694 OE2 GLU A 45 -4.403 -17.827 27.213 1.00 0.00 O ATOM 0 H GLU A 45 -0.290 -15.308 24.458 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.337 -15.301 27.316 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.269 -15.891 25.880 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.372 -17.229 25.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.289 -18.310 27.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.224 -16.984 28.090 1.00 0.00 H new ATOM 701 N LYS A 46 1.764 -17.273 25.829 1.00 0.00 N ATOM 702 CA LYS A 46 2.760 -18.334 25.957 1.00 0.00 C ATOM 703 C LYS A 46 3.701 -18.123 27.142 1.00 0.00 C ATOM 704 O LYS A 46 4.557 -17.234 27.133 1.00 0.00 O ATOM 705 CB LYS A 46 3.579 -18.480 24.667 1.00 0.00 C ATOM 706 CG LYS A 46 4.480 -19.704 24.656 1.00 0.00 C ATOM 707 CD LYS A 46 5.196 -19.867 23.332 1.00 0.00 C ATOM 708 CE LYS A 46 6.063 -21.112 23.339 1.00 0.00 C ATOM 709 NZ LYS A 46 6.759 -21.327 22.052 1.00 0.00 N ATOM 0 H LYS A 46 1.801 -16.778 24.938 1.00 0.00 H new ATOM 0 HA LYS A 46 2.202 -19.252 26.139 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.898 -18.532 23.818 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.190 -17.588 24.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.214 -19.622 25.458 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.885 -20.594 24.859 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.467 -19.931 22.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.813 -18.990 23.136 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.800 -21.032 24.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.443 -21.981 23.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.530 -22.012 22.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.086 -21.696 21.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.151 -20.425 21.715 1.00 0.00 H new ATOM 723 N GLU A 47 3.535 -18.931 28.153 1.00 0.00 N ATOM 724 CA GLU A 47 4.387 -18.894 29.284 1.00 0.00 C ATOM 725 C GLU A 47 5.633 -19.706 29.024 1.00 0.00 C ATOM 726 O GLU A 47 5.640 -20.571 28.141 1.00 0.00 O ATOM 727 CB GLU A 47 3.688 -19.331 30.588 1.00 0.00 C ATOM 728 CG GLU A 47 3.021 -20.712 30.570 1.00 0.00 C ATOM 729 CD GLU A 47 1.771 -20.789 29.702 1.00 0.00 C ATOM 730 OE1 GLU A 47 0.675 -20.520 30.214 1.00 0.00 O ATOM 731 OE2 GLU A 47 1.867 -21.137 28.506 1.00 0.00 O ATOM 0 H GLU A 47 2.797 -19.634 28.205 1.00 0.00 H new ATOM 0 HA GLU A 47 4.669 -17.852 29.438 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.424 -19.317 31.392 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.930 -18.588 30.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.743 -21.447 30.215 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.759 -20.990 31.591 1.00 0.00 H new ATOM 738 N ASN A 48 6.696 -19.411 29.773 1.00 0.00 N ATOM 739 CA ASN A 48 8.015 -20.077 29.620 1.00 0.00 C ATOM 740 C ASN A 48 8.683 -19.675 28.320 1.00 0.00 C ATOM 741 O ASN A 48 9.703 -20.234 27.916 1.00 0.00 O ATOM 742 CB ASN A 48 7.940 -21.620 29.780 1.00 0.00 C ATOM 743 CG ASN A 48 7.601 -22.098 31.201 1.00 0.00 C ATOM 744 OD1 ASN A 48 7.999 -23.191 31.610 1.00 0.00 O ATOM 745 ND2 ASN A 48 6.905 -21.289 31.970 1.00 0.00 N ATOM 0 H ASN A 48 6.679 -18.704 30.508 1.00 0.00 H new ATOM 0 HA ASN A 48 8.639 -19.724 30.441 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.190 -22.008 29.091 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.897 -22.050 29.484 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.683 -21.561 32.928 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.587 -20.390 31.609 1.00 0.00 H new ATOM 752 N GLY A 49 8.118 -18.682 27.692 1.00 0.00 N ATOM 753 CA GLY A 49 8.626 -18.157 26.491 1.00 0.00 C ATOM 754 C GLY A 49 8.311 -16.694 26.410 1.00 0.00 C ATOM 755 O GLY A 49 7.754 -16.132 27.379 1.00 0.00 O ATOM 0 H GLY A 49 7.273 -18.216 28.022 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.704 -18.311 26.442 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.191 -18.681 25.640 1.00 0.00 H new ATOM 759 N PRO A 50 8.651 -16.045 25.298 1.00 0.00 N ATOM 760 CA PRO A 50 8.388 -14.621 25.074 1.00 0.00 C ATOM 761 C PRO A 50 6.913 -14.267 25.119 1.00 0.00 C ATOM 762 O PRO A 50 6.045 -15.117 24.893 1.00 0.00 O ATOM 763 CB PRO A 50 8.915 -14.385 23.662 1.00 0.00 C ATOM 764 CG PRO A 50 9.916 -15.448 23.463 1.00 0.00 C ATOM 765 CD PRO A 50 9.348 -16.640 24.158 1.00 0.00 C ATOM 0 HA PRO A 50 8.854 -14.012 25.849 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.116 -14.448 22.924 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.361 -13.395 23.564 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.077 -15.647 22.403 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.881 -15.167 23.884 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.668 -17.198 23.514 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.127 -17.333 24.476 1.00 0.00 H new ATOM 773 N LYS A 51 6.648 -13.016 25.431 1.00 0.00 N ATOM 774 CA LYS A 51 5.304 -12.465 25.466 1.00 0.00 C ATOM 775 C LYS A 51 5.447 -11.002 25.106 1.00 0.00 C ATOM 776 O LYS A 51 4.801 -10.493 24.197 1.00 0.00 O ATOM 777 CB LYS A 51 4.725 -12.531 26.890 1.00 0.00 C ATOM 778 CG LYS A 51 4.858 -13.869 27.574 1.00 0.00 C ATOM 779 CD LYS A 51 4.410 -13.791 29.005 1.00 0.00 C ATOM 780 CE LYS A 51 4.853 -15.013 29.768 1.00 0.00 C ATOM 781 NZ LYS A 51 6.334 -15.171 29.702 1.00 0.00 N ATOM 0 H LYS A 51 7.372 -12.339 25.672 1.00 0.00 H new ATOM 0 HA LYS A 51 4.650 -13.018 24.792 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.220 -11.777 27.502 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.669 -12.265 26.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.264 -14.613 27.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.895 -14.201 27.532 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.821 -12.896 29.472 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.324 -13.703 29.047 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.538 -14.932 30.808 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.370 -15.899 29.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.666 -15.685 30.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.588 -15.706 28.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.782 -14.233 29.670 1.00 0.00 H new ATOM 795 N THR A 52 6.320 -10.339 25.852 1.00 0.00 N ATOM 796 CA THR A 52 6.609 -8.939 25.689 1.00 0.00 C ATOM 797 C THR A 52 8.106 -8.724 25.328 1.00 0.00 C ATOM 798 O THR A 52 8.895 -9.681 25.343 1.00 0.00 O ATOM 799 CB THR A 52 6.230 -8.150 26.962 1.00 0.00 C ATOM 800 OG1 THR A 52 6.983 -8.636 28.102 1.00 0.00 O ATOM 801 CG2 THR A 52 4.741 -8.291 27.260 1.00 0.00 C ATOM 0 H THR A 52 6.854 -10.779 26.602 1.00 0.00 H new ATOM 0 HA THR A 52 6.005 -8.560 24.865 1.00 0.00 H new ATOM 0 HB THR A 52 6.467 -7.101 26.786 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.781 -9.584 28.247 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.495 -7.728 28.160 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.164 -7.903 26.421 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.498 -9.343 27.412 1.00 0.00 H new ATOM 809 N VAL A 53 8.484 -7.466 25.006 1.00 0.00 N ATOM 810 CA VAL A 53 9.813 -7.073 24.567 1.00 0.00 C ATOM 811 C VAL A 53 10.936 -7.520 25.512 1.00 0.00 C ATOM 812 O VAL A 53 12.072 -7.761 25.076 1.00 0.00 O ATOM 813 CB VAL A 53 9.894 -5.533 24.411 1.00 0.00 C ATOM 814 CG1 VAL A 53 8.977 -5.016 23.332 1.00 0.00 C ATOM 815 CG2 VAL A 53 9.628 -4.807 25.728 1.00 0.00 C ATOM 0 H VAL A 53 7.837 -6.679 25.051 1.00 0.00 H new ATOM 0 HA VAL A 53 9.965 -7.577 23.613 1.00 0.00 H new ATOM 0 HB VAL A 53 10.919 -5.318 24.108 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.071 -3.932 23.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.249 -5.466 22.377 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.947 -5.276 23.575 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.695 -3.731 25.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.630 -5.059 26.088 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.368 -5.112 26.468 1.00 0.00 H new ATOM 825 N LYS A 54 10.612 -7.637 26.783 1.00 0.00 N ATOM 826 CA LYS A 54 11.576 -7.981 27.818 1.00 0.00 C ATOM 827 C LYS A 54 12.029 -9.411 27.645 1.00 0.00 C ATOM 828 O LYS A 54 13.144 -9.773 27.984 1.00 0.00 O ATOM 829 CB LYS A 54 10.902 -7.870 29.188 1.00 0.00 C ATOM 830 CG LYS A 54 10.229 -6.542 29.462 1.00 0.00 C ATOM 831 CD LYS A 54 9.510 -6.571 30.803 1.00 0.00 C ATOM 832 CE LYS A 54 8.736 -5.291 31.045 1.00 0.00 C ATOM 833 NZ LYS A 54 8.007 -5.315 32.329 1.00 0.00 N ATOM 0 H LYS A 54 9.665 -7.496 27.134 1.00 0.00 H new ATOM 0 HA LYS A 54 12.427 -7.304 27.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.159 -8.662 29.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.650 -8.048 29.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.972 -5.744 29.459 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.518 -6.318 28.667 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.828 -7.421 30.833 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.236 -6.716 31.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.423 -4.445 31.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.029 -5.136 30.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.492 -4.420 32.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.332 -6.106 32.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.683 -5.436 33.110 1.00 0.00 H new ATOM 847 N GLU A 55 11.168 -10.196 27.069 1.00 0.00 N ATOM 848 CA GLU A 55 11.339 -11.630 27.013 1.00 0.00 C ATOM 849 C GLU A 55 11.875 -12.085 25.657 1.00 0.00 C ATOM 850 O GLU A 55 11.985 -13.286 25.380 1.00 0.00 O ATOM 851 CB GLU A 55 9.984 -12.235 27.311 1.00 0.00 C ATOM 852 CG GLU A 55 9.437 -11.729 28.639 1.00 0.00 C ATOM 853 CD GLU A 55 7.989 -11.994 28.834 1.00 0.00 C ATOM 854 OE1 GLU A 55 7.185 -11.276 28.217 1.00 0.00 O ATOM 855 OE2 GLU A 55 7.629 -12.902 29.604 1.00 0.00 O ATOM 0 H GLU A 55 10.316 -9.862 26.618 1.00 0.00 H new ATOM 0 HA GLU A 55 12.080 -11.959 27.742 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.288 -11.988 26.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.066 -13.322 27.338 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.994 -12.195 29.451 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.612 -10.655 28.707 1.00 0.00 H new ATOM 862 N VAL A 56 12.233 -11.127 24.829 1.00 0.00 N ATOM 863 CA VAL A 56 12.738 -11.408 23.500 1.00 0.00 C ATOM 864 C VAL A 56 14.139 -10.814 23.355 1.00 0.00 C ATOM 865 O VAL A 56 14.329 -9.619 23.557 1.00 0.00 O ATOM 866 CB VAL A 56 11.819 -10.771 22.404 1.00 0.00 C ATOM 867 CG1 VAL A 56 12.308 -11.118 21.011 1.00 0.00 C ATOM 868 CG2 VAL A 56 10.373 -11.197 22.568 1.00 0.00 C ATOM 0 H VAL A 56 12.183 -10.134 25.056 1.00 0.00 H new ATOM 0 HA VAL A 56 12.759 -12.490 23.366 1.00 0.00 H new ATOM 0 HB VAL A 56 11.871 -9.690 22.534 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.651 -10.662 20.271 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.322 -10.741 20.877 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.303 -12.200 20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.767 -10.734 21.789 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.302 -12.282 22.487 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.009 -10.882 23.546 1.00 0.00 H new ATOM 878 N LYS A 57 15.111 -11.645 23.062 1.00 0.00 N ATOM 879 CA LYS A 57 16.459 -11.184 22.791 1.00 0.00 C ATOM 880 C LYS A 57 16.829 -11.491 21.341 1.00 0.00 C ATOM 881 O LYS A 57 16.782 -12.648 20.925 1.00 0.00 O ATOM 882 CB LYS A 57 17.495 -11.832 23.740 1.00 0.00 C ATOM 883 CG LYS A 57 17.559 -11.300 25.189 1.00 0.00 C ATOM 884 CD LYS A 57 16.291 -11.527 26.013 1.00 0.00 C ATOM 885 CE LYS A 57 16.505 -11.032 27.444 1.00 0.00 C ATOM 886 NZ LYS A 57 15.323 -11.224 28.319 1.00 0.00 N ATOM 0 H LYS A 57 14.994 -12.657 23.004 1.00 0.00 H new ATOM 0 HA LYS A 57 16.479 -10.108 22.962 1.00 0.00 H new ATOM 0 HB2 LYS A 57 17.291 -12.902 23.782 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.482 -11.713 23.293 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.397 -11.776 25.699 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.769 -10.231 25.159 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.452 -11.000 25.558 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.036 -12.587 26.020 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.357 -11.556 27.878 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.761 -9.973 27.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.636 -11.347 29.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.704 -10.391 28.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.799 -12.069 28.014 1.00 0.00 H new ATOM 900 N LEU A 58 17.185 -10.468 20.580 1.00 0.00 N ATOM 901 CA LEU A 58 17.569 -10.656 19.178 1.00 0.00 C ATOM 902 C LEU A 58 19.080 -10.606 19.032 1.00 0.00 C ATOM 903 O LEU A 58 19.717 -9.644 19.449 1.00 0.00 O ATOM 904 CB LEU A 58 16.924 -9.607 18.220 1.00 0.00 C ATOM 905 CG LEU A 58 15.382 -9.586 18.085 1.00 0.00 C ATOM 906 CD1 LEU A 58 14.829 -10.955 17.722 1.00 0.00 C ATOM 907 CD2 LEU A 58 14.717 -9.026 19.322 1.00 0.00 C ATOM 0 H LEU A 58 17.218 -9.501 20.902 1.00 0.00 H new ATOM 0 HA LEU A 58 17.193 -11.637 18.888 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.242 -8.617 18.548 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.343 -9.763 17.226 1.00 0.00 H new ATOM 0 HG LEU A 58 15.144 -8.914 17.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.744 -10.898 17.637 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.251 -11.277 16.770 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.095 -11.672 18.498 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.635 -9.029 19.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.976 -9.640 20.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.059 -8.005 19.488 1.00 0.00 H new ATOM 919 N ILE A 59 19.641 -11.654 18.480 1.00 0.00 N ATOM 920 CA ILE A 59 21.062 -11.764 18.227 1.00 0.00 C ATOM 921 C ILE A 59 21.311 -11.896 16.717 1.00 0.00 C ATOM 922 O ILE A 59 20.618 -12.643 16.025 1.00 0.00 O ATOM 923 CB ILE A 59 21.698 -13.004 18.973 1.00 0.00 C ATOM 924 CG1 ILE A 59 21.683 -12.864 20.513 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.121 -13.262 18.507 1.00 0.00 C ATOM 926 CD1 ILE A 59 20.327 -12.826 21.186 1.00 0.00 C ATOM 0 H ILE A 59 19.112 -12.475 18.186 1.00 0.00 H new ATOM 0 HA ILE A 59 21.537 -10.860 18.610 1.00 0.00 H new ATOM 0 HB ILE A 59 21.067 -13.853 18.711 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.247 -13.696 20.934 1.00 0.00 H new ATOM 0 HG13 ILE A 59 22.217 -11.951 20.776 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.528 -14.121 19.040 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.122 -13.465 17.436 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.735 -12.385 18.710 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.458 -12.726 22.263 1.00 0.00 H new ATOM 0 HD12 ILE A 59 19.757 -11.976 20.809 1.00 0.00 H new ATOM 0 HD13 ILE A 59 19.788 -13.749 20.971 1.00 0.00 H new ATOM 938 N SER A 60 22.264 -11.149 16.218 1.00 0.00 N ATOM 939 CA SER A 60 22.656 -11.225 14.847 1.00 0.00 C ATOM 940 C SER A 60 24.142 -11.532 14.766 1.00 0.00 C ATOM 941 O SER A 60 24.962 -10.738 15.251 1.00 0.00 O ATOM 942 CB SER A 60 22.349 -9.905 14.140 1.00 0.00 C ATOM 943 OG SER A 60 23.027 -8.812 14.760 1.00 0.00 O ATOM 0 H SER A 60 22.790 -10.467 16.764 1.00 0.00 H new ATOM 0 HA SER A 60 22.097 -12.020 14.353 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.646 -9.973 13.094 1.00 0.00 H new ATOM 0 HB3 SER A 60 21.274 -9.724 14.155 1.00 0.00 H new ATOM 0 HG SER A 60 23.847 -9.136 15.187 1.00 0.00 H new ATOM 949 N ALA A 61 24.476 -12.701 14.227 1.00 0.00 N ATOM 950 CA ALA A 61 25.874 -13.139 14.005 1.00 0.00 C ATOM 951 C ALA A 61 26.687 -13.231 15.312 1.00 0.00 C ATOM 952 O ALA A 61 27.927 -13.261 15.292 1.00 0.00 O ATOM 953 CB ALA A 61 26.567 -12.228 12.988 1.00 0.00 C ATOM 0 H ALA A 61 23.785 -13.387 13.925 1.00 0.00 H new ATOM 0 HA ALA A 61 25.830 -14.150 13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.593 -12.565 12.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 26.030 -12.266 12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.572 -11.204 13.361 1.00 0.00 H new ATOM 959 N GLY A 62 25.996 -13.335 16.423 1.00 0.00 N ATOM 960 CA GLY A 62 26.663 -13.423 17.707 1.00 0.00 C ATOM 961 C GLY A 62 26.748 -12.088 18.430 1.00 0.00 C ATOM 962 O GLY A 62 27.575 -11.912 19.312 1.00 0.00 O ATOM 0 H GLY A 62 24.977 -13.361 16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.132 -14.137 18.337 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.670 -13.814 17.560 1.00 0.00 H new ATOM 966 N LYS A 63 25.929 -11.141 18.032 1.00 0.00 N ATOM 967 CA LYS A 63 25.847 -9.864 18.659 1.00 0.00 C ATOM 968 C LYS A 63 24.399 -9.577 18.998 1.00 0.00 C ATOM 969 O LYS A 63 23.525 -9.783 18.162 1.00 0.00 O ATOM 970 CB LYS A 63 26.357 -8.810 17.695 1.00 0.00 C ATOM 971 CG LYS A 63 27.881 -8.743 17.458 1.00 0.00 C ATOM 972 CD LYS A 63 28.671 -7.964 18.548 1.00 0.00 C ATOM 973 CE LYS A 63 28.670 -8.598 19.939 1.00 0.00 C ATOM 974 NZ LYS A 63 29.284 -9.941 19.960 1.00 0.00 N ATOM 0 H LYS A 63 25.291 -11.251 17.244 1.00 0.00 H new ATOM 0 HA LYS A 63 26.447 -9.851 19.569 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.873 -8.972 16.732 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.029 -7.835 18.057 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.272 -9.759 17.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.065 -8.276 16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.704 -7.857 18.217 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.255 -6.959 18.625 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.207 -7.948 20.629 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.644 -8.668 20.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.317 -10.293 20.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.718 -10.591 19.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.250 -9.887 19.579 1.00 0.00 H new ATOM 988 N VAL A 64 24.145 -9.124 20.201 1.00 0.00 N ATOM 989 CA VAL A 64 22.787 -8.818 20.624 1.00 0.00 C ATOM 990 C VAL A 64 22.386 -7.446 20.084 1.00 0.00 C ATOM 991 O VAL A 64 23.179 -6.500 20.131 1.00 0.00 O ATOM 992 CB VAL A 64 22.660 -8.811 22.179 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.214 -8.592 22.617 1.00 0.00 C ATOM 994 CG2 VAL A 64 23.209 -10.096 22.782 1.00 0.00 C ATOM 0 H VAL A 64 24.858 -8.956 20.911 1.00 0.00 H new ATOM 0 HA VAL A 64 22.128 -9.592 20.230 1.00 0.00 H new ATOM 0 HB VAL A 64 23.257 -7.978 22.550 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.160 -8.592 23.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 20.860 -7.634 22.236 1.00 0.00 H new ATOM 0 HG13 VAL A 64 20.589 -9.393 22.222 1.00 0.00 H new ATOM 0 HG21 VAL A 64 23.107 -10.062 23.867 1.00 0.00 H new ATOM 0 HG22 VAL A 64 22.652 -10.948 22.392 1.00 0.00 H new ATOM 0 HG23 VAL A 64 24.262 -10.200 22.520 1.00 0.00 H new ATOM 1004 N LEU A 65 21.189 -7.342 19.562 1.00 0.00 N ATOM 1005 CA LEU A 65 20.697 -6.104 19.061 1.00 0.00 C ATOM 1006 C LEU A 65 20.254 -5.197 20.187 1.00 0.00 C ATOM 1007 O LEU A 65 19.393 -5.556 21.005 1.00 0.00 O ATOM 1008 CB LEU A 65 19.559 -6.291 18.039 1.00 0.00 C ATOM 1009 CG LEU A 65 19.926 -6.845 16.645 1.00 0.00 C ATOM 1010 CD1 LEU A 65 20.413 -8.266 16.703 1.00 0.00 C ATOM 1011 CD2 LEU A 65 18.763 -6.715 15.683 1.00 0.00 C ATOM 0 H LEU A 65 20.535 -8.120 19.477 1.00 0.00 H new ATOM 0 HA LEU A 65 21.527 -5.630 18.537 1.00 0.00 H new ATOM 0 HB2 LEU A 65 18.819 -6.959 18.480 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.073 -5.325 17.898 1.00 0.00 H new ATOM 0 HG LEU A 65 20.752 -6.238 16.274 1.00 0.00 H new ATOM 0 HD11 LEU A 65 20.658 -8.608 15.697 1.00 0.00 H new ATOM 0 HD12 LEU A 65 21.302 -8.321 17.331 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.633 -8.901 17.122 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.050 -7.113 14.710 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.909 -7.274 16.066 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.492 -5.664 15.580 1.00 0.00 H new ATOM 1023 N GLU A 66 20.857 -4.046 20.231 1.00 0.00 N ATOM 1024 CA GLU A 66 20.548 -3.016 21.180 1.00 0.00 C ATOM 1025 C GLU A 66 19.253 -2.340 20.729 1.00 0.00 C ATOM 1026 O GLU A 66 19.152 -1.884 19.584 1.00 0.00 O ATOM 1027 CB GLU A 66 21.723 -2.042 21.214 1.00 0.00 C ATOM 1028 CG GLU A 66 21.601 -0.881 22.171 1.00 0.00 C ATOM 1029 CD GLU A 66 22.871 -0.073 22.190 1.00 0.00 C ATOM 1030 OE1 GLU A 66 23.102 0.697 21.252 1.00 0.00 O ATOM 1031 OE2 GLU A 66 23.674 -0.227 23.133 1.00 0.00 O ATOM 0 H GLU A 66 21.603 -3.789 19.585 1.00 0.00 H new ATOM 0 HA GLU A 66 20.399 -3.406 22.187 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.624 -2.601 21.467 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.867 -1.644 20.210 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.765 -0.247 21.877 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.384 -1.250 23.173 1.00 0.00 H new ATOM 1038 N ASN A 67 18.284 -2.285 21.627 1.00 0.00 N ATOM 1039 CA ASN A 67 16.908 -1.839 21.321 1.00 0.00 C ATOM 1040 C ASN A 67 16.798 -0.445 20.731 1.00 0.00 C ATOM 1041 O ASN A 67 15.945 -0.201 19.868 1.00 0.00 O ATOM 1042 CB ASN A 67 15.991 -1.958 22.540 1.00 0.00 C ATOM 1043 CG ASN A 67 15.814 -3.385 22.996 1.00 0.00 C ATOM 1044 OD1 ASN A 67 14.938 -4.082 22.529 1.00 0.00 O ATOM 1045 ND2 ASN A 67 16.624 -3.818 23.924 1.00 0.00 N ATOM 0 H ASN A 67 18.418 -2.549 22.603 1.00 0.00 H new ATOM 0 HA ASN A 67 16.579 -2.524 20.540 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.402 -1.367 23.359 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.016 -1.534 22.299 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.531 -4.770 24.279 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.350 -3.204 24.294 1.00 0.00 H new ATOM 1052 N SER A 68 17.648 0.453 21.172 1.00 0.00 N ATOM 1053 CA SER A 68 17.592 1.848 20.739 1.00 0.00 C ATOM 1054 C SER A 68 18.146 2.047 19.328 1.00 0.00 C ATOM 1055 O SER A 68 17.961 3.103 18.713 1.00 0.00 O ATOM 1056 CB SER A 68 18.345 2.721 21.734 1.00 0.00 C ATOM 1057 OG SER A 68 17.832 2.529 23.047 1.00 0.00 O ATOM 0 H SER A 68 18.395 0.249 21.836 1.00 0.00 H new ATOM 0 HA SER A 68 16.543 2.142 20.708 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.407 2.476 21.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.253 3.769 21.450 1.00 0.00 H new ATOM 0 HG SER A 68 18.326 3.094 23.677 1.00 0.00 H new ATOM 1063 N LYS A 69 18.794 1.045 18.826 1.00 0.00 N ATOM 1064 CA LYS A 69 19.408 1.116 17.552 1.00 0.00 C ATOM 1065 C LYS A 69 18.476 0.671 16.450 1.00 0.00 C ATOM 1066 O LYS A 69 17.409 0.081 16.706 1.00 0.00 O ATOM 1067 CB LYS A 69 20.730 0.391 17.565 1.00 0.00 C ATOM 1068 CG LYS A 69 21.735 1.044 18.507 1.00 0.00 C ATOM 1069 CD LYS A 69 22.126 2.452 18.041 1.00 0.00 C ATOM 1070 CE LYS A 69 22.925 3.218 19.100 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.123 2.496 19.570 1.00 0.00 N ATOM 0 H LYS A 69 18.909 0.148 19.299 1.00 0.00 H new ATOM 0 HA LYS A 69 19.628 2.159 17.326 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.572 -0.644 17.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.141 0.370 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.310 1.098 19.509 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.628 0.422 18.572 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.716 2.378 17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 69 21.225 3.013 17.794 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.229 4.181 18.689 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.278 3.425 19.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 24.793 3.171 19.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 23.846 1.793 20.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.575 2.014 18.767 1.00 0.00 H new ATOM 1085 N THR A 70 18.849 0.964 15.246 1.00 0.00 N ATOM 1086 CA THR A 70 17.986 0.775 14.131 1.00 0.00 C ATOM 1087 C THR A 70 18.567 -0.323 13.223 1.00 0.00 C ATOM 1088 O THR A 70 19.724 -0.680 13.371 1.00 0.00 O ATOM 1089 CB THR A 70 17.924 2.112 13.386 1.00 0.00 C ATOM 1090 OG1 THR A 70 17.849 3.162 14.369 1.00 0.00 O ATOM 1091 CG2 THR A 70 16.689 2.208 12.549 1.00 0.00 C ATOM 0 H THR A 70 19.766 1.343 15.010 1.00 0.00 H new ATOM 0 HA THR A 70 16.988 0.466 14.441 1.00 0.00 H new ATOM 0 HB THR A 70 18.803 2.196 12.747 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.810 4.031 13.917 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.673 3.168 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.683 1.401 11.816 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.809 2.125 13.187 1.00 0.00 H new ATOM 1099 N VAL A 71 17.770 -0.842 12.292 1.00 0.00 N ATOM 1100 CA VAL A 71 18.227 -1.907 11.368 1.00 0.00 C ATOM 1101 C VAL A 71 19.429 -1.410 10.549 1.00 0.00 C ATOM 1102 O VAL A 71 20.339 -2.175 10.200 1.00 0.00 O ATOM 1103 CB VAL A 71 17.077 -2.400 10.430 1.00 0.00 C ATOM 1104 CG1 VAL A 71 17.578 -3.432 9.431 1.00 0.00 C ATOM 1105 CG2 VAL A 71 15.943 -3.001 11.247 1.00 0.00 C ATOM 0 H VAL A 71 16.803 -0.551 12.148 1.00 0.00 H new ATOM 0 HA VAL A 71 18.535 -2.763 11.968 1.00 0.00 H new ATOM 0 HB VAL A 71 16.712 -1.532 9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.753 -3.753 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 71 18.361 -2.991 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.979 -4.292 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.152 -3.339 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.318 -3.848 11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.546 -2.248 11.927 1.00 0.00 H new ATOM 1115 N LYS A 72 19.428 -0.112 10.295 1.00 0.00 N ATOM 1116 CA LYS A 72 20.516 0.597 9.650 1.00 0.00 C ATOM 1117 C LYS A 72 21.858 0.312 10.336 1.00 0.00 C ATOM 1118 O LYS A 72 22.893 0.223 9.679 1.00 0.00 O ATOM 1119 CB LYS A 72 20.169 2.112 9.646 1.00 0.00 C ATOM 1120 CG LYS A 72 21.260 3.073 9.153 1.00 0.00 C ATOM 1121 CD LYS A 72 22.311 3.421 10.234 1.00 0.00 C ATOM 1122 CE LYS A 72 21.688 4.185 11.402 1.00 0.00 C ATOM 1123 NZ LYS A 72 22.674 4.521 12.458 1.00 0.00 N ATOM 0 H LYS A 72 18.645 0.494 10.540 1.00 0.00 H new ATOM 0 HA LYS A 72 20.630 0.251 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.285 2.256 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.896 2.400 10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.766 2.627 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 20.792 3.993 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.771 2.504 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.106 4.020 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.234 5.103 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.887 3.587 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.189 4.993 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.127 3.649 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.398 5.157 12.067 1.00 0.00 H new ATOM 1137 N ASP A 73 21.820 0.148 11.632 1.00 0.00 N ATOM 1138 CA ASP A 73 22.994 -0.071 12.439 1.00 0.00 C ATOM 1139 C ASP A 73 23.542 -1.492 12.321 1.00 0.00 C ATOM 1140 O ASP A 73 24.702 -1.736 12.620 1.00 0.00 O ATOM 1141 CB ASP A 73 22.671 0.252 13.895 1.00 0.00 C ATOM 1142 CG ASP A 73 22.319 1.696 14.101 1.00 0.00 C ATOM 1143 OD1 ASP A 73 23.228 2.537 14.127 1.00 0.00 O ATOM 1144 OD2 ASP A 73 21.123 2.016 14.229 1.00 0.00 O ATOM 0 H ASP A 73 20.953 0.163 12.169 1.00 0.00 H new ATOM 0 HA ASP A 73 23.775 0.592 12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.840 -0.371 14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.528 -0.002 14.518 1.00 0.00 H new ATOM 1149 N TYR A 74 22.716 -2.426 11.889 1.00 0.00 N ATOM 1150 CA TYR A 74 23.112 -3.822 11.852 1.00 0.00 C ATOM 1151 C TYR A 74 23.366 -4.331 10.444 1.00 0.00 C ATOM 1152 O TYR A 74 24.065 -5.341 10.255 1.00 0.00 O ATOM 1153 CB TYR A 74 22.052 -4.662 12.554 1.00 0.00 C ATOM 1154 CG TYR A 74 21.871 -4.241 13.984 1.00 0.00 C ATOM 1155 CD1 TYR A 74 22.655 -4.771 14.992 1.00 0.00 C ATOM 1156 CD2 TYR A 74 20.947 -3.273 14.315 1.00 0.00 C ATOM 1157 CE1 TYR A 74 22.520 -4.335 16.289 1.00 0.00 C ATOM 1158 CE2 TYR A 74 20.799 -2.841 15.601 1.00 0.00 C ATOM 1159 CZ TYR A 74 21.583 -3.369 16.582 1.00 0.00 C ATOM 1160 OH TYR A 74 21.457 -2.910 17.860 1.00 0.00 O ATOM 0 H TYR A 74 21.768 -2.244 11.559 1.00 0.00 H new ATOM 0 HA TYR A 74 24.064 -3.911 12.376 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.104 -4.570 12.024 1.00 0.00 H new ATOM 0 HB3 TYR A 74 22.337 -5.713 12.517 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.381 -5.536 14.758 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.327 -2.847 13.540 1.00 0.00 H new ATOM 0 HE1 TYR A 74 23.142 -4.746 17.070 1.00 0.00 H new ATOM 0 HE2 TYR A 74 20.065 -2.085 15.839 1.00 0.00 H new ATOM 0 HH TYR A 74 20.508 -2.778 18.068 1.00 0.00 H new ATOM 1170 N ARG A 75 22.814 -3.652 9.461 1.00 0.00 N ATOM 1171 CA ARG A 75 22.964 -4.032 8.100 1.00 0.00 C ATOM 1172 C ARG A 75 24.427 -3.908 7.640 1.00 0.00 C ATOM 1173 O ARG A 75 25.106 -2.905 7.910 1.00 0.00 O ATOM 1174 CB ARG A 75 22.050 -3.178 7.230 1.00 0.00 C ATOM 1175 CG ARG A 75 22.368 -1.695 7.251 1.00 0.00 C ATOM 1176 CD ARG A 75 21.445 -0.901 6.355 1.00 0.00 C ATOM 1177 NE ARG A 75 21.785 0.526 6.373 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.307 1.446 5.518 1.00 0.00 C ATOM 1179 NH1 ARG A 75 20.476 1.090 4.540 1.00 0.00 N ATOM 1180 NH2 ARG A 75 21.686 2.713 5.633 1.00 0.00 N ATOM 0 H ARG A 75 22.247 -2.816 9.600 1.00 0.00 H new ATOM 0 HA ARG A 75 22.681 -5.080 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 75 22.110 -3.535 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.020 -3.321 7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.289 -1.323 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 75 23.400 -1.542 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.510 -1.280 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.413 -1.036 6.680 1.00 0.00 H new ATOM 0 HE ARG A 75 22.435 0.845 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.199 0.114 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.117 1.793 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.338 2.986 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.325 3.414 4.986 1.00 0.00 H new ATOM 1306 N VAL A 85 17.746 -13.325 2.993 1.00 0.00 N ATOM 1307 CA VAL A 85 16.821 -12.980 4.034 1.00 0.00 C ATOM 1308 C VAL A 85 17.609 -12.816 5.317 1.00 0.00 C ATOM 1309 O VAL A 85 18.461 -13.647 5.648 1.00 0.00 O ATOM 1310 CB VAL A 85 15.735 -14.078 4.222 1.00 0.00 C ATOM 1311 CG1 VAL A 85 14.757 -13.701 5.326 1.00 0.00 C ATOM 1312 CG2 VAL A 85 14.991 -14.326 2.918 1.00 0.00 C ATOM 0 HA VAL A 85 16.307 -12.057 3.767 1.00 0.00 H new ATOM 0 HB VAL A 85 16.240 -14.998 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.010 -14.487 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.297 -13.582 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.263 -12.764 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.236 -15.097 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.508 -13.404 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.696 -14.654 2.154 1.00 0.00 H new ATOM 1322 N THR A 86 17.325 -11.779 6.025 1.00 0.00 N ATOM 1323 CA THR A 86 18.060 -11.441 7.189 1.00 0.00 C ATOM 1324 C THR A 86 17.491 -12.243 8.346 1.00 0.00 C ATOM 1325 O THR A 86 16.286 -12.244 8.564 1.00 0.00 O ATOM 1326 CB THR A 86 17.905 -9.939 7.444 1.00 0.00 C ATOM 1327 OG1 THR A 86 18.195 -9.226 6.221 1.00 0.00 O ATOM 1328 CG2 THR A 86 18.849 -9.465 8.530 1.00 0.00 C ATOM 0 H THR A 86 16.565 -11.134 5.807 1.00 0.00 H new ATOM 0 HA THR A 86 19.120 -11.669 7.075 1.00 0.00 H new ATOM 0 HB THR A 86 16.883 -9.746 7.771 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.403 -9.232 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 86 18.715 -8.395 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 86 18.635 -9.998 9.456 1.00 0.00 H new ATOM 0 HG23 THR A 86 19.878 -9.661 8.229 1.00 0.00 H new ATOM 1336 N THR A 87 18.318 -12.946 9.048 1.00 0.00 N ATOM 1337 CA THR A 87 17.828 -13.779 10.093 1.00 0.00 C ATOM 1338 C THR A 87 18.292 -13.286 11.456 1.00 0.00 C ATOM 1339 O THR A 87 19.491 -13.232 11.736 1.00 0.00 O ATOM 1340 CB THR A 87 18.308 -15.221 9.884 1.00 0.00 C ATOM 1341 OG1 THR A 87 17.990 -15.642 8.541 1.00 0.00 O ATOM 1342 CG2 THR A 87 17.637 -16.161 10.867 1.00 0.00 C ATOM 0 H THR A 87 19.330 -12.960 8.917 1.00 0.00 H new ATOM 0 HA THR A 87 16.739 -13.744 10.064 1.00 0.00 H new ATOM 0 HB THR A 87 19.385 -15.252 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.298 -16.563 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.993 -17.177 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.878 -15.855 11.885 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.557 -16.127 10.724 1.00 0.00 H new ATOM 1350 N MET A 88 17.349 -12.926 12.286 1.00 0.00 N ATOM 1351 CA MET A 88 17.634 -12.559 13.655 1.00 0.00 C ATOM 1352 C MET A 88 17.414 -13.766 14.515 1.00 0.00 C ATOM 1353 O MET A 88 16.332 -14.365 14.499 1.00 0.00 O ATOM 1354 CB MET A 88 16.745 -11.398 14.146 1.00 0.00 C ATOM 1355 CG MET A 88 17.243 -9.938 13.933 1.00 0.00 C ATOM 1356 SD MET A 88 17.665 -9.439 12.239 1.00 0.00 S ATOM 1357 CE MET A 88 19.321 -10.086 12.056 1.00 0.00 C ATOM 0 H MET A 88 16.361 -12.878 12.036 1.00 0.00 H new ATOM 0 HA MET A 88 18.666 -12.215 13.716 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.776 -11.492 13.656 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.577 -11.538 15.214 1.00 0.00 H new ATOM 0 HG2 MET A 88 16.472 -9.262 14.301 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.123 -9.788 14.558 1.00 0.00 H new ATOM 0 HE1 MET A 88 20.008 -9.270 11.831 1.00 0.00 H new ATOM 0 HE2 MET A 88 19.626 -10.572 12.983 1.00 0.00 H new ATOM 0 HE3 MET A 88 19.340 -10.811 11.243 1.00 0.00 H new ATOM 1367 N HIS A 89 18.426 -14.141 15.232 1.00 0.00 N ATOM 1368 CA HIS A 89 18.358 -15.290 16.082 1.00 0.00 C ATOM 1369 C HIS A 89 17.807 -14.864 17.416 1.00 0.00 C ATOM 1370 O HIS A 89 18.342 -13.971 18.056 1.00 0.00 O ATOM 1371 CB HIS A 89 19.747 -15.903 16.238 1.00 0.00 C ATOM 1372 CG HIS A 89 19.781 -17.154 17.050 1.00 0.00 C ATOM 1373 ND1 HIS A 89 20.533 -17.285 18.181 1.00 0.00 N ATOM 1374 CD2 HIS A 89 19.184 -18.345 16.858 1.00 0.00 C ATOM 1375 CE1 HIS A 89 20.405 -18.495 18.652 1.00 0.00 C ATOM 1376 NE2 HIS A 89 19.591 -19.167 17.872 1.00 0.00 N ATOM 0 H HIS A 89 19.325 -13.659 15.245 1.00 0.00 H new ATOM 0 HA HIS A 89 17.705 -16.046 15.646 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.150 -16.116 15.248 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.406 -15.167 16.699 1.00 0.00 H new ATOM 0 HD1 HIS A 89 21.107 -16.550 18.595 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.510 -18.603 16.054 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.889 -18.880 19.537 1.00 0.00 H new ATOM 1385 N VAL A 90 16.757 -15.481 17.823 1.00 0.00 N ATOM 1386 CA VAL A 90 16.116 -15.098 19.040 1.00 0.00 C ATOM 1387 C VAL A 90 16.455 -16.038 20.170 1.00 0.00 C ATOM 1388 O VAL A 90 16.416 -17.271 20.040 1.00 0.00 O ATOM 1389 CB VAL A 90 14.570 -14.931 18.872 1.00 0.00 C ATOM 1390 CG1 VAL A 90 13.893 -16.212 18.523 1.00 0.00 C ATOM 1391 CG2 VAL A 90 13.925 -14.259 20.071 1.00 0.00 C ATOM 0 H VAL A 90 16.317 -16.259 17.332 1.00 0.00 H new ATOM 0 HA VAL A 90 16.510 -14.116 19.304 1.00 0.00 H new ATOM 0 HB VAL A 90 14.430 -14.261 18.024 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.822 -16.041 18.418 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.294 -16.591 17.583 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.068 -16.943 19.313 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.852 -14.167 19.903 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.103 -14.859 20.964 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.357 -13.268 20.208 1.00 0.00 H new ATOM 1401 N ILE A 91 16.830 -15.443 21.242 1.00 0.00 N ATOM 1402 CA ILE A 91 17.124 -16.110 22.454 1.00 0.00 C ATOM 1403 C ILE A 91 15.993 -15.852 23.412 1.00 0.00 C ATOM 1404 O ILE A 91 15.613 -14.695 23.667 1.00 0.00 O ATOM 1405 CB ILE A 91 18.482 -15.638 23.025 1.00 0.00 C ATOM 1406 CG1 ILE A 91 19.654 -16.161 22.166 1.00 0.00 C ATOM 1407 CG2 ILE A 91 18.666 -16.010 24.496 1.00 0.00 C ATOM 1408 CD1 ILE A 91 19.761 -17.675 22.110 1.00 0.00 C ATOM 0 H ILE A 91 16.945 -14.431 21.300 1.00 0.00 H new ATOM 0 HA ILE A 91 17.217 -17.183 22.285 1.00 0.00 H new ATOM 0 HB ILE A 91 18.480 -14.549 22.979 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.544 -15.778 21.151 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.587 -15.757 22.560 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.636 -15.654 24.843 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.877 -15.549 25.089 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.617 -17.093 24.606 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.610 -17.957 21.487 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.904 -18.067 23.117 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.846 -18.089 21.686 1.00 0.00 H new ATOM 1420 N ILE A 92 15.440 -16.910 23.904 1.00 0.00 N ATOM 1421 CA ILE A 92 14.308 -16.845 24.762 1.00 0.00 C ATOM 1422 C ILE A 92 14.736 -16.726 26.207 1.00 0.00 C ATOM 1423 O ILE A 92 15.278 -17.672 26.798 1.00 0.00 O ATOM 1424 CB ILE A 92 13.332 -18.069 24.560 1.00 0.00 C ATOM 1425 CG1 ILE A 92 12.554 -17.995 23.214 1.00 0.00 C ATOM 1426 CG2 ILE A 92 12.352 -18.192 25.717 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.390 -18.000 21.954 1.00 0.00 C ATOM 0 H ILE A 92 15.768 -17.858 23.718 1.00 0.00 H new ATOM 0 HA ILE A 92 13.751 -15.948 24.491 1.00 0.00 H new ATOM 0 HB ILE A 92 13.962 -18.958 24.532 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.865 -18.839 23.171 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.948 -17.089 23.219 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.694 -19.044 25.547 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.903 -18.338 26.646 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.756 -17.282 25.787 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.736 -17.945 21.083 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.061 -17.141 21.959 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.976 -18.918 21.910 1.00 0.00 H new ATOM 1439 N GLN A 93 14.543 -15.558 26.752 1.00 0.00 N ATOM 1440 CA GLN A 93 14.801 -15.323 28.146 1.00 0.00 C ATOM 1441 C GLN A 93 13.680 -14.516 28.719 1.00 0.00 C ATOM 1442 O GLN A 93 13.518 -13.342 28.389 1.00 0.00 O ATOM 1443 CB GLN A 93 16.130 -14.585 28.385 1.00 0.00 C ATOM 1444 CG GLN A 93 17.387 -15.352 28.031 1.00 0.00 C ATOM 1445 CD GLN A 93 18.644 -14.529 28.262 1.00 0.00 C ATOM 1446 OE1 GLN A 93 18.633 -13.300 28.144 1.00 0.00 O ATOM 1447 NE2 GLN A 93 19.717 -15.180 28.611 1.00 0.00 N ATOM 0 H GLN A 93 14.203 -14.742 26.243 1.00 0.00 H new ATOM 0 HA GLN A 93 14.875 -16.294 28.636 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.118 -13.660 27.809 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.183 -14.305 29.437 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.436 -16.263 28.628 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.342 -15.658 26.986 1.00 0.00 H new ATOM 0 HE21 GLN A 93 19.691 -16.196 28.699 1.00 0.00 H new ATOM 0 HE22 GLN A 93 20.583 -14.674 28.796 1.00 0.00 H new ATOM 1456 N ALA A 94 12.921 -15.142 29.546 1.00 0.00 N ATOM 1457 CA ALA A 94 11.848 -14.520 30.268 1.00 0.00 C ATOM 1458 C ALA A 94 12.386 -14.193 31.649 1.00 0.00 C ATOM 1459 O ALA A 94 13.438 -14.748 32.019 1.00 0.00 O ATOM 1460 CB ALA A 94 10.647 -15.467 30.342 1.00 0.00 C ATOM 0 H ALA A 94 13.026 -16.135 29.752 1.00 0.00 H new ATOM 0 HA ALA A 94 11.503 -13.612 29.774 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.838 -14.986 30.892 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.309 -15.705 29.334 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.938 -16.384 30.853 1.00 0.00 H new