USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 88 MET CE :methyl -178:sc= -0.661 (180deg=-0.679) USER MOD Set 1.2: A 100 GLN : amide:sc= -2.25! K(o=-2.9!,f=-1.7) USER MOD Set 2.1: A 33 SER OG : rot -91:sc= 0.157 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= -1.84 USER MOD Set 3.1: A 17 GLN : amide:sc= -7.67! C(o=-9.2!,f=-9.2!) USER MOD Set 3.2: A 21 THR OG1 : rot 101:sc= -1.55! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.054) USER MOD Single : A 43 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-4.3!) USER MOD Single : A 44 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-13!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.0265 (180deg=-0.642) USER MOD Single : A 63 MET CE :methyl -159:sc= -0.101 (180deg=-1.19) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 39:sc= -1.36 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 89 GLN : amide:sc= -3.56! C(o=-3.6!,f=-14!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.41 USER MOD Single : A 95 LYS NZ :NH3+ 160:sc=-0.00973 (180deg=-0.169) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 120 THR OG1 : rot 60:sc= -0.0261 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.927 10.445 0.878 1.00 0.00 N ATOM 157 CA GLU A 11 -10.052 11.522 1.421 1.00 0.00 C ATOM 158 C GLU A 11 -8.987 10.909 2.332 1.00 0.00 C ATOM 159 O GLU A 11 -7.893 11.422 2.456 1.00 0.00 O ATOM 160 CB GLU A 11 -10.899 12.513 2.224 1.00 0.00 C ATOM 161 CG GLU A 11 -11.613 11.773 3.355 1.00 0.00 C ATOM 162 CD GLU A 11 -10.833 11.956 4.658 1.00 0.00 C ATOM 163 OE1 GLU A 11 -9.706 11.494 4.722 1.00 0.00 O ATOM 164 OE2 GLU A 11 -11.376 12.556 5.571 1.00 0.00 O ATOM 0 HA GLU A 11 -9.567 12.042 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.266 13.301 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.628 12.995 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.628 12.155 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.696 10.713 3.115 1.00 0.00 H new ATOM 171 N GLU A 12 -9.298 9.817 2.975 1.00 0.00 N ATOM 172 CA GLU A 12 -8.303 9.175 3.880 1.00 0.00 C ATOM 173 C GLU A 12 -7.128 8.646 3.054 1.00 0.00 C ATOM 174 O GLU A 12 -5.979 8.876 3.375 1.00 0.00 O ATOM 175 CB GLU A 12 -8.965 8.014 4.626 1.00 0.00 C ATOM 176 CG GLU A 12 -10.331 8.456 5.159 1.00 0.00 C ATOM 177 CD GLU A 12 -10.141 9.342 6.391 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.288 9.020 7.202 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.851 10.328 6.503 1.00 0.00 O ATOM 0 H GLU A 12 -10.198 9.341 2.913 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.940 9.909 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.083 7.160 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.330 7.689 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.874 9.001 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.932 7.583 5.416 1.00 0.00 H new ATOM 186 N LEU A 13 -7.405 7.940 1.993 1.00 0.00 N ATOM 187 CA LEU A 13 -6.302 7.397 1.151 1.00 0.00 C ATOM 188 C LEU A 13 -5.404 8.545 0.683 1.00 0.00 C ATOM 189 O LEU A 13 -4.207 8.390 0.540 1.00 0.00 O ATOM 190 CB LEU A 13 -6.893 6.681 -0.067 1.00 0.00 C ATOM 191 CG LEU A 13 -7.991 5.719 0.391 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.384 4.798 -0.769 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.474 4.876 1.559 1.00 0.00 C ATOM 0 H LEU A 13 -8.347 7.716 1.673 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.713 6.691 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.302 7.409 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.112 6.134 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.863 6.290 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.166 4.113 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.752 5.398 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.513 4.227 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.255 4.190 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.602 4.306 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.196 5.531 2.385 1.00 0.00 H new ATOM 205 N ILE A 14 -5.972 9.695 0.444 1.00 0.00 N ATOM 206 CA ILE A 14 -5.147 10.850 -0.013 1.00 0.00 C ATOM 207 C ILE A 14 -4.183 11.263 1.103 1.00 0.00 C ATOM 208 O ILE A 14 -2.994 11.391 0.891 1.00 0.00 O ATOM 209 CB ILE A 14 -6.060 12.027 -0.359 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.859 11.699 -1.624 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.211 13.275 -0.605 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.851 12.829 -1.913 1.00 0.00 C ATOM 0 H ILE A 14 -6.969 9.885 0.545 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.578 10.561 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.746 12.209 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.183 11.570 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.393 10.757 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.861 14.114 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.640 13.510 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.526 13.091 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.418 12.594 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.535 12.937 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.307 13.762 -2.061 1.00 0.00 H new ATOM 224 N GLU A 15 -4.685 11.471 2.290 1.00 0.00 N ATOM 225 CA GLU A 15 -3.796 11.875 3.416 1.00 0.00 C ATOM 226 C GLU A 15 -2.623 10.895 3.515 1.00 0.00 C ATOM 227 O GLU A 15 -1.478 11.262 3.344 1.00 0.00 O ATOM 228 CB GLU A 15 -4.588 11.856 4.726 1.00 0.00 C ATOM 229 CG GLU A 15 -4.783 13.287 5.230 1.00 0.00 C ATOM 230 CD GLU A 15 -3.528 13.744 5.978 1.00 0.00 C ATOM 231 OE1 GLU A 15 -2.444 13.524 5.464 1.00 0.00 O ATOM 232 OE2 GLU A 15 -3.673 14.304 7.051 1.00 0.00 O ATOM 0 H GLU A 15 -5.672 11.379 2.528 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.417 12.881 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.556 11.380 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.059 11.265 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.982 13.955 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.650 13.336 5.889 1.00 0.00 H new ATOM 239 N ILE A 16 -2.902 9.650 3.790 1.00 0.00 N ATOM 240 CA ILE A 16 -1.807 8.646 3.900 1.00 0.00 C ATOM 241 C ILE A 16 -0.956 8.678 2.629 1.00 0.00 C ATOM 242 O ILE A 16 0.258 8.676 2.683 1.00 0.00 O ATOM 243 CB ILE A 16 -2.413 7.251 4.073 1.00 0.00 C ATOM 244 CG1 ILE A 16 -2.700 7.000 5.555 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.427 6.198 3.560 1.00 0.00 C ATOM 246 CD1 ILE A 16 -3.485 8.181 6.130 1.00 0.00 C ATOM 0 H ILE A 16 -3.842 9.285 3.943 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.182 8.881 4.761 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.342 7.186 3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.269 6.078 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.765 6.871 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.859 5.205 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.221 6.376 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.498 6.263 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.690 8.002 7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.899 9.094 6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.426 8.289 5.591 1.00 0.00 H new ATOM 258 N GLN A 17 -1.585 8.703 1.486 1.00 0.00 N ATOM 259 CA GLN A 17 -0.815 8.729 0.211 1.00 0.00 C ATOM 260 C GLN A 17 0.090 9.963 0.181 1.00 0.00 C ATOM 261 O GLN A 17 1.039 10.028 -0.574 1.00 0.00 O ATOM 262 CB GLN A 17 -1.789 8.782 -0.968 1.00 0.00 C ATOM 263 CG GLN A 17 -1.019 9.090 -2.254 1.00 0.00 C ATOM 264 CD GLN A 17 0.247 8.231 -2.310 1.00 0.00 C ATOM 265 OE1 GLN A 17 1.300 8.706 -2.682 1.00 0.00 O ATOM 266 NE2 GLN A 17 0.185 6.977 -1.954 1.00 0.00 N ATOM 0 H GLN A 17 -2.599 8.707 1.380 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.202 7.831 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.312 7.831 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.546 9.546 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.646 8.889 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.756 10.147 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.701 6.579 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.022 6.395 -1.988 1.00 0.00 H new ATOM 275 N LYS A 18 -0.195 10.943 0.995 1.00 0.00 N ATOM 276 CA LYS A 18 0.652 12.169 1.005 1.00 0.00 C ATOM 277 C LYS A 18 1.877 11.942 1.894 1.00 0.00 C ATOM 278 O LYS A 18 3.003 12.014 1.444 1.00 0.00 O ATOM 279 CB LYS A 18 -0.161 13.350 1.542 1.00 0.00 C ATOM 280 CG LYS A 18 -0.422 14.346 0.410 1.00 0.00 C ATOM 281 CD LYS A 18 -0.949 15.659 0.992 1.00 0.00 C ATOM 282 CE LYS A 18 -2.478 15.628 1.025 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.996 16.999 1.298 1.00 0.00 N ATOM 0 H LYS A 18 -0.976 10.948 1.652 1.00 0.00 H new ATOM 0 HA LYS A 18 0.980 12.388 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.106 12.997 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.379 13.838 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.497 14.527 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.145 13.932 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.556 15.806 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.605 16.500 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.866 15.264 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.822 14.937 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.036 16.979 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.636 17.330 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.678 17.646 0.548 1.00 0.00 H new ATOM 297 N GLU A 19 1.671 11.669 3.154 1.00 0.00 N ATOM 298 CA GLU A 19 2.829 11.438 4.063 1.00 0.00 C ATOM 299 C GLU A 19 3.792 10.444 3.412 1.00 0.00 C ATOM 300 O GLU A 19 4.995 10.551 3.545 1.00 0.00 O ATOM 301 CB GLU A 19 2.334 10.871 5.394 1.00 0.00 C ATOM 302 CG GLU A 19 1.351 11.853 6.037 1.00 0.00 C ATOM 303 CD GLU A 19 2.129 12.974 6.727 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.932 12.667 7.592 1.00 0.00 O ATOM 305 OE2 GLU A 19 1.907 14.123 6.379 1.00 0.00 O ATOM 0 H GLU A 19 0.753 11.596 3.592 1.00 0.00 H new ATOM 0 HA GLU A 19 3.343 12.382 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.849 9.908 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.177 10.695 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.688 12.269 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.722 11.334 6.760 1.00 0.00 H new ATOM 312 N GLU A 20 3.271 9.477 2.709 1.00 0.00 N ATOM 313 CA GLU A 20 4.154 8.473 2.049 1.00 0.00 C ATOM 314 C GLU A 20 4.907 9.136 0.893 1.00 0.00 C ATOM 315 O GLU A 20 6.114 9.047 0.795 1.00 0.00 O ATOM 316 CB GLU A 20 3.302 7.323 1.509 1.00 0.00 C ATOM 317 CG GLU A 20 4.158 6.062 1.395 1.00 0.00 C ATOM 318 CD GLU A 20 4.441 5.508 2.793 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.673 5.807 3.692 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.421 4.797 2.941 1.00 0.00 O ATOM 0 H GLU A 20 2.271 9.338 2.563 1.00 0.00 H new ATOM 0 HA GLU A 20 4.870 8.087 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.456 7.142 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.893 7.587 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.643 5.313 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.095 6.290 0.886 1.00 0.00 H new ATOM 327 N THR A 21 4.203 9.799 0.016 1.00 0.00 N ATOM 328 CA THR A 21 4.881 10.463 -1.132 1.00 0.00 C ATOM 329 C THR A 21 5.965 11.407 -0.611 1.00 0.00 C ATOM 330 O THR A 21 6.980 11.613 -1.245 1.00 0.00 O ATOM 331 CB THR A 21 3.855 11.262 -1.939 1.00 0.00 C ATOM 332 OG1 THR A 21 2.699 10.465 -2.157 1.00 0.00 O ATOM 333 CG2 THR A 21 4.463 11.663 -3.284 1.00 0.00 C ATOM 0 H THR A 21 3.189 9.909 0.045 1.00 0.00 H new ATOM 0 HA THR A 21 5.336 9.705 -1.770 1.00 0.00 H new ATOM 0 HB THR A 21 3.577 12.159 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.997 10.728 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.732 12.232 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.348 12.276 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.743 10.767 -3.838 1.00 0.00 H new ATOM 341 N ARG A 22 5.761 11.986 0.541 1.00 0.00 N ATOM 342 CA ARG A 22 6.782 12.918 1.095 1.00 0.00 C ATOM 343 C ARG A 22 8.046 12.135 1.461 1.00 0.00 C ATOM 344 O ARG A 22 9.148 12.520 1.118 1.00 0.00 O ATOM 345 CB ARG A 22 6.229 13.599 2.349 1.00 0.00 C ATOM 346 CG ARG A 22 4.882 14.256 2.027 1.00 0.00 C ATOM 347 CD ARG A 22 4.996 15.775 2.189 1.00 0.00 C ATOM 348 NE ARG A 22 5.734 16.091 3.446 1.00 0.00 N ATOM 349 CZ ARG A 22 6.213 17.289 3.637 1.00 0.00 C ATOM 350 NH1 ARG A 22 6.039 18.213 2.731 1.00 0.00 N ATOM 351 NH2 ARG A 22 6.868 17.564 4.732 1.00 0.00 N ATOM 0 H ARG A 22 4.933 11.854 1.121 1.00 0.00 H new ATOM 0 HA ARG A 22 7.023 13.673 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.106 12.868 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.934 14.349 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.581 14.011 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.109 13.867 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.516 16.204 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.003 16.223 2.216 1.00 0.00 H new ATOM 0 HE ARG A 22 5.864 15.370 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.529 17.998 1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.413 19.150 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.006 16.842 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.242 18.501 4.881 1.00 0.00 H new ATOM 365 N ASP A 23 7.898 11.043 2.159 1.00 0.00 N ATOM 366 CA ASP A 23 9.090 10.239 2.552 1.00 0.00 C ATOM 367 C ASP A 23 9.860 9.808 1.301 1.00 0.00 C ATOM 368 O ASP A 23 11.061 9.967 1.214 1.00 0.00 O ATOM 369 CB ASP A 23 8.635 8.997 3.321 1.00 0.00 C ATOM 370 CG ASP A 23 8.856 9.215 4.819 1.00 0.00 C ATOM 371 OD1 ASP A 23 8.102 9.974 5.405 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.776 8.619 5.355 1.00 0.00 O ATOM 0 H ASP A 23 7.002 10.672 2.475 1.00 0.00 H new ATOM 0 HA ASP A 23 9.740 10.845 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.582 8.799 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.192 8.123 2.984 1.00 0.00 H new ATOM 377 N ILE A 24 9.179 9.257 0.333 1.00 0.00 N ATOM 378 CA ILE A 24 9.874 8.809 -0.908 1.00 0.00 C ATOM 379 C ILE A 24 10.589 9.998 -1.558 1.00 0.00 C ATOM 380 O ILE A 24 11.786 9.974 -1.765 1.00 0.00 O ATOM 381 CB ILE A 24 8.846 8.233 -1.884 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.459 6.822 -1.438 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.450 8.175 -3.288 1.00 0.00 C ATOM 384 CD1 ILE A 24 7.297 6.314 -2.295 1.00 0.00 C ATOM 0 H ILE A 24 8.172 9.098 0.348 1.00 0.00 H new ATOM 0 HA ILE A 24 10.608 8.043 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 24 7.960 8.868 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.314 6.152 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.173 6.828 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.717 7.765 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.729 9.180 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.335 7.539 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.022 5.309 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.441 6.978 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.599 6.293 -3.342 1.00 0.00 H new ATOM 396 N ILE A 25 9.866 11.034 -1.883 1.00 0.00 N ATOM 397 CA ILE A 25 10.506 12.220 -2.519 1.00 0.00 C ATOM 398 C ILE A 25 11.786 12.581 -1.758 1.00 0.00 C ATOM 399 O ILE A 25 12.866 12.599 -2.314 1.00 0.00 O ATOM 400 CB ILE A 25 9.531 13.404 -2.487 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.685 13.408 -3.764 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.311 14.719 -2.395 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.205 11.989 -4.077 1.00 0.00 C ATOM 0 H ILE A 25 8.860 11.111 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 25 10.758 11.988 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 25 8.882 13.306 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.829 14.072 -3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.271 13.795 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.613 15.556 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.911 14.723 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.965 14.815 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.604 12.000 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.067 11.337 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.602 11.618 -3.248 1.00 0.00 H new ATOM 415 N GLN A 26 11.673 12.873 -0.491 1.00 0.00 N ATOM 416 CA GLN A 26 12.882 13.238 0.300 1.00 0.00 C ATOM 417 C GLN A 26 14.001 12.231 0.024 1.00 0.00 C ATOM 418 O GLN A 26 15.155 12.590 -0.096 1.00 0.00 O ATOM 419 CB GLN A 26 12.539 13.221 1.791 1.00 0.00 C ATOM 420 CG GLN A 26 11.660 14.427 2.128 1.00 0.00 C ATOM 421 CD GLN A 26 12.535 15.673 2.267 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.457 16.578 1.461 1.00 0.00 O ATOM 423 NE2 GLN A 26 13.371 15.759 3.266 1.00 0.00 N ATOM 0 H GLN A 26 10.796 12.875 0.030 1.00 0.00 H new ATOM 0 HA GLN A 26 13.214 14.236 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.019 12.297 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.452 13.246 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.916 14.578 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.116 14.246 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.437 14.999 3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.959 16.586 3.370 1.00 0.00 H new ATOM 432 N ALA A 27 13.671 10.973 -0.072 1.00 0.00 N ATOM 433 CA ALA A 27 14.717 9.945 -0.336 1.00 0.00 C ATOM 434 C ALA A 27 15.262 10.119 -1.754 1.00 0.00 C ATOM 435 O ALA A 27 16.412 10.457 -1.951 1.00 0.00 O ATOM 436 CB ALA A 27 14.108 8.549 -0.191 1.00 0.00 C ATOM 0 H ALA A 27 12.722 10.612 0.021 1.00 0.00 H new ATOM 0 HA ALA A 27 15.530 10.064 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.873 7.797 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.723 8.423 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.294 8.431 -0.906 1.00 0.00 H new ATOM 442 N LEU A 28 14.446 9.886 -2.746 1.00 0.00 N ATOM 443 CA LEU A 28 14.920 10.035 -4.151 1.00 0.00 C ATOM 444 C LEU A 28 15.861 11.238 -4.250 1.00 0.00 C ATOM 445 O LEU A 28 16.858 11.201 -4.943 1.00 0.00 O ATOM 446 CB LEU A 28 13.722 10.251 -5.076 1.00 0.00 C ATOM 447 CG LEU A 28 12.866 8.985 -5.109 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.669 9.202 -6.037 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.707 7.817 -5.630 1.00 0.00 C ATOM 0 H LEU A 28 13.472 9.599 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 28 15.452 9.131 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.128 11.095 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.065 10.497 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 28 12.511 8.760 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.059 8.299 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.070 10.035 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.024 9.426 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.099 6.913 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.061 8.044 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.561 7.662 -4.971 1.00 0.00 H new ATOM 461 N LEU A 29 15.552 12.305 -3.566 1.00 0.00 N ATOM 462 CA LEU A 29 16.430 13.507 -3.627 1.00 0.00 C ATOM 463 C LEU A 29 17.784 13.183 -2.992 1.00 0.00 C ATOM 464 O LEU A 29 18.808 13.206 -3.644 1.00 0.00 O ATOM 465 CB LEU A 29 15.772 14.662 -2.867 1.00 0.00 C ATOM 466 CG LEU A 29 15.872 15.951 -3.689 1.00 0.00 C ATOM 467 CD1 LEU A 29 17.343 16.308 -3.916 1.00 0.00 C ATOM 468 CD2 LEU A 29 15.181 15.752 -5.041 1.00 0.00 C ATOM 0 H LEU A 29 14.731 12.396 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 29 16.577 13.796 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.726 14.428 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.259 14.798 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 29 15.384 16.761 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.409 17.225 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.834 16.455 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.835 15.498 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.253 16.670 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.666 14.939 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.131 15.505 -4.880 1.00 0.00 H new ATOM 480 N GLU A 30 17.798 12.879 -1.721 1.00 0.00 N ATOM 481 CA GLU A 30 19.088 12.554 -1.049 1.00 0.00 C ATOM 482 C GLU A 30 19.923 11.658 -1.965 1.00 0.00 C ATOM 483 O GLU A 30 21.136 11.697 -1.951 1.00 0.00 O ATOM 484 CB GLU A 30 18.810 11.823 0.265 1.00 0.00 C ATOM 485 CG GLU A 30 19.957 12.081 1.245 1.00 0.00 C ATOM 486 CD GLU A 30 21.294 11.828 0.544 1.00 0.00 C ATOM 487 OE1 GLU A 30 21.817 12.758 -0.048 1.00 0.00 O ATOM 488 OE2 GLU A 30 21.772 10.707 0.611 1.00 0.00 O ATOM 0 H GLU A 30 16.974 12.842 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 30 19.634 13.475 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.868 12.167 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.706 10.753 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.914 13.107 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.861 11.430 2.114 1.00 0.00 H new ATOM 495 N ASP A 31 19.280 10.850 -2.765 1.00 0.00 N ATOM 496 CA ASP A 31 20.035 9.953 -3.683 1.00 0.00 C ATOM 497 C ASP A 31 20.692 10.791 -4.781 1.00 0.00 C ATOM 498 O ASP A 31 21.608 10.352 -5.447 1.00 0.00 O ATOM 499 CB ASP A 31 19.074 8.945 -4.316 1.00 0.00 C ATOM 500 CG ASP A 31 19.719 8.338 -5.564 1.00 0.00 C ATOM 501 OD1 ASP A 31 20.671 7.592 -5.411 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.249 8.631 -6.651 1.00 0.00 O ATOM 0 H ASP A 31 18.264 10.773 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 31 20.802 9.419 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.831 8.159 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.137 9.436 -4.580 1.00 0.00 H new ATOM 507 N GLY A 32 20.231 11.996 -4.976 1.00 0.00 N ATOM 508 CA GLY A 32 20.828 12.861 -6.031 1.00 0.00 C ATOM 509 C GLY A 32 20.157 12.567 -7.374 1.00 0.00 C ATOM 510 O GLY A 32 20.779 12.627 -8.416 1.00 0.00 O ATOM 0 H GLY A 32 19.466 12.419 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.699 13.912 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.900 12.679 -6.101 1.00 0.00 H new ATOM 514 N SER A 33 18.892 12.247 -7.357 1.00 0.00 N ATOM 515 CA SER A 33 18.183 11.948 -8.634 1.00 0.00 C ATOM 516 C SER A 33 18.222 13.180 -9.540 1.00 0.00 C ATOM 517 O SER A 33 18.141 13.078 -10.748 1.00 0.00 O ATOM 518 CB SER A 33 16.728 11.579 -8.335 1.00 0.00 C ATOM 519 OG SER A 33 16.123 12.621 -7.581 1.00 0.00 O ATOM 0 H SER A 33 18.319 12.180 -6.516 1.00 0.00 H new ATOM 0 HA SER A 33 18.673 11.114 -9.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.182 11.424 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.685 10.642 -7.780 1.00 0.00 H new ATOM 0 HG SER A 33 16.236 12.441 -6.624 1.00 0.00 H new ATOM 525 N ASP A 34 18.349 14.345 -8.965 1.00 0.00 N ATOM 526 CA ASP A 34 18.397 15.585 -9.791 1.00 0.00 C ATOM 527 C ASP A 34 17.127 15.687 -10.639 1.00 0.00 C ATOM 528 O ASP A 34 17.084 15.229 -11.764 1.00 0.00 O ATOM 529 CB ASP A 34 19.621 15.541 -10.708 1.00 0.00 C ATOM 530 CG ASP A 34 20.609 14.494 -10.192 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.167 14.709 -9.127 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.792 13.496 -10.868 1.00 0.00 O ATOM 0 H ASP A 34 18.422 14.492 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 34 18.465 16.453 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.317 15.299 -11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.098 16.520 -10.742 1.00 0.00 H new ATOM 537 N PRO A 35 16.104 16.288 -10.098 1.00 0.00 N ATOM 538 CA PRO A 35 14.802 16.464 -10.807 1.00 0.00 C ATOM 539 C PRO A 35 14.961 17.255 -12.110 1.00 0.00 C ATOM 540 O PRO A 35 14.012 17.478 -12.832 1.00 0.00 O ATOM 541 CB PRO A 35 13.931 17.244 -9.815 1.00 0.00 C ATOM 542 CG PRO A 35 14.590 17.092 -8.483 1.00 0.00 C ATOM 543 CD PRO A 35 16.076 16.866 -8.749 1.00 0.00 C ATOM 0 HA PRO A 35 14.371 15.505 -11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.861 18.294 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.915 16.851 -9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.438 17.982 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.163 16.252 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.638 17.799 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.516 16.191 -8.015 1.00 0.00 H new ATOM 551 N ASP A 36 16.158 17.682 -12.411 1.00 0.00 N ATOM 552 CA ASP A 36 16.379 18.460 -13.661 1.00 0.00 C ATOM 553 C ASP A 36 16.112 17.567 -14.876 1.00 0.00 C ATOM 554 O ASP A 36 15.715 18.033 -15.925 1.00 0.00 O ATOM 555 CB ASP A 36 17.825 18.960 -13.703 1.00 0.00 C ATOM 556 CG ASP A 36 17.843 20.485 -13.576 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.031 21.123 -14.225 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.668 20.987 -12.830 1.00 0.00 O ATOM 0 H ASP A 36 16.991 17.525 -11.844 1.00 0.00 H new ATOM 0 HA ASP A 36 15.699 19.312 -13.681 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.400 18.510 -12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.299 18.657 -14.637 1.00 0.00 H new ATOM 563 N ALA A 37 16.322 16.285 -14.741 1.00 0.00 N ATOM 564 CA ALA A 37 16.077 15.369 -15.890 1.00 0.00 C ATOM 565 C ALA A 37 14.601 14.972 -15.910 1.00 0.00 C ATOM 566 O ALA A 37 14.230 13.944 -16.442 1.00 0.00 O ATOM 567 CB ALA A 37 16.940 14.114 -15.738 1.00 0.00 C ATOM 0 H ALA A 37 16.652 15.834 -13.887 1.00 0.00 H new ATOM 0 HA ALA A 37 16.335 15.874 -16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.760 13.445 -16.579 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.993 14.396 -15.718 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.683 13.606 -14.809 1.00 0.00 H new ATOM 573 N LEU A 38 13.754 15.780 -15.332 1.00 0.00 N ATOM 574 CA LEU A 38 12.302 15.447 -15.316 1.00 0.00 C ATOM 575 C LEU A 38 12.108 14.078 -14.662 1.00 0.00 C ATOM 576 O LEU A 38 13.042 13.318 -14.504 1.00 0.00 O ATOM 577 CB LEU A 38 11.772 15.409 -16.751 1.00 0.00 C ATOM 578 CG LEU A 38 11.231 16.789 -17.132 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.951 16.830 -18.635 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.934 17.055 -16.366 1.00 0.00 C ATOM 0 H LEU A 38 14.005 16.655 -14.871 1.00 0.00 H new ATOM 0 HA LEU A 38 11.758 16.203 -14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.568 15.117 -17.436 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.984 14.661 -16.839 1.00 0.00 H new ATOM 0 HG LEU A 38 11.968 17.551 -16.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.566 17.813 -18.907 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.874 16.638 -19.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.214 16.068 -18.889 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.547 18.038 -16.636 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.198 16.293 -16.621 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.132 17.025 -15.294 1.00 0.00 H new ATOM 592 N TYR A 39 10.904 13.760 -14.275 1.00 0.00 N ATOM 593 CA TYR A 39 10.658 12.441 -13.629 1.00 0.00 C ATOM 594 C TYR A 39 9.481 11.746 -14.317 1.00 0.00 C ATOM 595 O TYR A 39 8.625 12.383 -14.899 1.00 0.00 O ATOM 596 CB TYR A 39 10.333 12.654 -12.148 1.00 0.00 C ATOM 597 CG TYR A 39 11.403 12.014 -11.297 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.596 12.699 -11.037 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.202 10.734 -10.767 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.587 12.104 -10.248 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.193 10.139 -9.978 1.00 0.00 C ATOM 602 CZ TYR A 39 13.386 10.824 -9.718 1.00 0.00 C ATOM 603 OH TYR A 39 14.362 10.238 -8.940 1.00 0.00 O ATOM 0 H TYR A 39 10.082 14.355 -14.378 1.00 0.00 H new ATOM 0 HA TYR A 39 11.548 11.819 -13.720 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.269 13.720 -11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.360 12.222 -11.913 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.752 13.687 -11.445 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.282 10.205 -10.967 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.507 12.633 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.037 9.151 -9.570 1.00 0.00 H new ATOM 0 HH TYR A 39 14.062 9.351 -8.652 1.00 0.00 H new ATOM 613 N GLU A 40 9.431 10.444 -14.253 1.00 0.00 N ATOM 614 CA GLU A 40 8.310 9.709 -14.901 1.00 0.00 C ATOM 615 C GLU A 40 7.350 9.194 -13.828 1.00 0.00 C ATOM 616 O GLU A 40 7.734 8.463 -12.936 1.00 0.00 O ATOM 617 CB GLU A 40 8.868 8.527 -15.697 1.00 0.00 C ATOM 618 CG GLU A 40 8.131 8.419 -17.034 1.00 0.00 C ATOM 619 CD GLU A 40 8.667 7.218 -17.815 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.626 7.394 -18.547 1.00 0.00 O ATOM 621 OE2 GLU A 40 8.107 6.143 -17.668 1.00 0.00 O ATOM 0 H GLU A 40 10.118 9.858 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 40 7.776 10.380 -15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.936 8.662 -15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.750 7.604 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.060 8.307 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.268 9.333 -17.612 1.00 0.00 H new ATOM 628 N ILE A 41 6.102 9.567 -13.906 1.00 0.00 N ATOM 629 CA ILE A 41 5.117 9.099 -12.890 1.00 0.00 C ATOM 630 C ILE A 41 4.320 7.923 -13.462 1.00 0.00 C ATOM 631 O ILE A 41 4.001 7.888 -14.633 1.00 0.00 O ATOM 632 CB ILE A 41 4.160 10.242 -12.540 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.907 11.577 -12.610 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.620 10.039 -11.124 1.00 0.00 C ATOM 635 CD1 ILE A 41 5.963 11.631 -11.504 1.00 0.00 C ATOM 0 H ILE A 41 5.721 10.176 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 41 5.644 8.781 -11.991 1.00 0.00 H new ATOM 0 HB ILE A 41 3.333 10.250 -13.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.381 11.690 -13.585 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.206 12.404 -12.499 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.939 10.852 -10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.087 9.090 -11.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.449 10.030 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.494 12.581 -11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.478 11.538 -10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.670 10.812 -11.636 1.00 0.00 H new ATOM 647 N GLU A 42 3.999 6.958 -12.643 1.00 0.00 N ATOM 648 CA GLU A 42 3.226 5.784 -13.143 1.00 0.00 C ATOM 649 C GLU A 42 2.075 5.478 -12.183 1.00 0.00 C ATOM 650 O GLU A 42 2.225 5.537 -10.978 1.00 0.00 O ATOM 651 CB GLU A 42 4.149 4.568 -13.233 1.00 0.00 C ATOM 652 CG GLU A 42 3.428 3.432 -13.959 1.00 0.00 C ATOM 653 CD GLU A 42 3.958 2.087 -13.458 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.167 1.920 -13.435 1.00 0.00 O ATOM 655 OE2 GLU A 42 3.148 1.246 -13.107 1.00 0.00 O ATOM 0 H GLU A 42 4.238 6.931 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 42 2.823 6.011 -14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.063 4.831 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.443 4.246 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.354 3.499 -13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.583 3.518 -15.035 1.00 0.00 H new ATOM 662 N HIS A 43 0.928 5.147 -12.708 1.00 0.00 N ATOM 663 CA HIS A 43 -0.233 4.832 -11.828 1.00 0.00 C ATOM 664 C HIS A 43 -0.878 3.525 -12.293 1.00 0.00 C ATOM 665 O HIS A 43 -0.703 3.103 -13.418 1.00 0.00 O ATOM 666 CB HIS A 43 -1.257 5.967 -11.907 1.00 0.00 C ATOM 667 CG HIS A 43 -0.670 7.212 -11.302 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.915 7.583 -9.987 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.156 8.181 -11.818 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.249 8.730 -9.758 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.417 9.134 -10.841 1.00 0.00 N ATOM 0 H HIS A 43 0.744 5.081 -13.709 1.00 0.00 H new ATOM 0 HA HIS A 43 0.106 4.725 -10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.534 6.150 -12.945 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.168 5.687 -11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.542 8.199 -12.826 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.253 9.257 -8.815 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.997 9.968 -10.933 1.00 0.00 H new ATOM 679 N HIS A 44 -1.620 2.878 -11.436 1.00 0.00 N ATOM 680 CA HIS A 44 -2.269 1.597 -11.837 1.00 0.00 C ATOM 681 C HIS A 44 -3.728 1.591 -11.374 1.00 0.00 C ATOM 682 O HIS A 44 -4.019 1.723 -10.201 1.00 0.00 O ATOM 683 CB HIS A 44 -1.522 0.426 -11.190 1.00 0.00 C ATOM 684 CG HIS A 44 -0.815 -0.371 -12.254 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.551 -0.611 -12.213 1.00 0.00 N ATOM 686 CD2 HIS A 44 -1.272 -0.988 -13.392 1.00 0.00 C ATOM 687 CE1 HIS A 44 0.866 -1.346 -13.297 1.00 0.00 C ATOM 688 NE2 HIS A 44 -0.208 -1.601 -14.045 1.00 0.00 N ATOM 0 H HIS A 44 -1.805 3.179 -10.479 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.236 1.498 -12.922 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.802 0.799 -10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.222 -0.211 -10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.298 -0.996 -13.728 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.864 -1.686 -13.531 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.242 -2.134 -14.914 1.00 0.00 H new ATOM 696 N LEU A 45 -4.648 1.434 -12.287 1.00 0.00 N ATOM 697 CA LEU A 45 -6.088 1.416 -11.901 1.00 0.00 C ATOM 698 C LEU A 45 -6.752 0.165 -12.482 1.00 0.00 C ATOM 699 O LEU A 45 -6.346 -0.343 -13.507 1.00 0.00 O ATOM 700 CB LEU A 45 -6.784 2.662 -12.454 1.00 0.00 C ATOM 701 CG LEU A 45 -6.130 3.917 -11.872 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.955 4.345 -12.754 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.161 5.048 -11.818 1.00 0.00 C ATOM 0 H LEU A 45 -4.465 1.317 -13.284 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.172 1.406 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.717 2.676 -13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.844 2.641 -12.201 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.767 3.701 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.493 5.239 -12.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.220 3.542 -12.795 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.315 4.560 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.698 5.943 -11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.523 5.259 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.998 4.748 -11.187 1.00 0.00 H new ATOM 715 N PHE A 46 -7.770 -0.338 -11.835 1.00 0.00 N ATOM 716 CA PHE A 46 -8.450 -1.557 -12.358 1.00 0.00 C ATOM 717 C PHE A 46 -9.964 -1.345 -12.360 1.00 0.00 C ATOM 718 O PHE A 46 -10.483 -0.478 -11.686 1.00 0.00 O ATOM 719 CB PHE A 46 -8.102 -2.758 -11.475 1.00 0.00 C ATOM 720 CG PHE A 46 -7.226 -2.305 -10.330 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.924 -1.855 -10.580 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.717 -2.339 -9.019 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.114 -1.437 -9.518 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.907 -1.921 -7.958 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.604 -1.470 -8.207 1.00 0.00 C ATOM 0 H PHE A 46 -8.158 0.041 -10.971 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.113 -1.746 -13.377 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.013 -3.216 -11.090 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.587 -3.518 -12.063 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.545 -1.830 -11.591 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.721 -2.688 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.110 -1.089 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.286 -1.946 -6.947 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.978 -1.148 -7.388 1.00 0.00 H new ATOM 735 N ALA A 47 -10.674 -2.134 -13.119 1.00 0.00 N ATOM 736 CA ALA A 47 -12.156 -1.982 -13.171 1.00 0.00 C ATOM 737 C ALA A 47 -12.800 -3.351 -13.407 1.00 0.00 C ATOM 738 O ALA A 47 -12.146 -4.295 -13.800 1.00 0.00 O ATOM 739 CB ALA A 47 -12.531 -1.038 -14.316 1.00 0.00 C ATOM 0 H ALA A 47 -10.293 -2.877 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.513 -1.569 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.615 -0.926 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.071 -0.064 -14.150 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.175 -1.451 -15.260 1.00 0.00 H new ATOM 745 N GLU A 48 -14.079 -3.464 -13.171 1.00 0.00 N ATOM 746 CA GLU A 48 -14.761 -4.774 -13.381 1.00 0.00 C ATOM 747 C GLU A 48 -15.720 -4.665 -14.569 1.00 0.00 C ATOM 748 O GLU A 48 -16.368 -5.622 -14.943 1.00 0.00 O ATOM 749 CB GLU A 48 -15.552 -5.147 -12.125 1.00 0.00 C ATOM 750 CG GLU A 48 -14.752 -4.758 -10.880 1.00 0.00 C ATOM 751 CD GLU A 48 -13.517 -5.653 -10.766 1.00 0.00 C ATOM 752 OE1 GLU A 48 -13.671 -6.858 -10.887 1.00 0.00 O ATOM 753 OE2 GLU A 48 -12.441 -5.119 -10.560 1.00 0.00 O ATOM 0 H GLU A 48 -14.680 -2.708 -12.843 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.014 -5.542 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.515 -4.637 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.758 -6.217 -12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.452 -3.712 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.372 -4.861 -9.990 1.00 0.00 H new ATOM 760 N ASP A 49 -15.820 -3.507 -15.161 1.00 0.00 N ATOM 761 CA ASP A 49 -16.741 -3.341 -16.320 1.00 0.00 C ATOM 762 C ASP A 49 -15.938 -2.967 -17.568 1.00 0.00 C ATOM 763 O ASP A 49 -15.200 -2.002 -17.576 1.00 0.00 O ATOM 764 CB ASP A 49 -17.750 -2.233 -16.014 1.00 0.00 C ATOM 765 CG ASP A 49 -18.447 -2.529 -14.684 1.00 0.00 C ATOM 766 OD1 ASP A 49 -17.924 -2.120 -13.661 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.491 -3.158 -14.714 1.00 0.00 O ATOM 0 H ASP A 49 -15.304 -2.669 -14.892 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.269 -4.278 -16.498 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.244 -1.269 -15.964 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.486 -2.166 -16.815 1.00 0.00 H new ATOM 772 N PHE A 50 -16.077 -3.720 -18.626 1.00 0.00 N ATOM 773 CA PHE A 50 -15.324 -3.402 -19.871 1.00 0.00 C ATOM 774 C PHE A 50 -15.791 -2.051 -20.412 1.00 0.00 C ATOM 775 O PHE A 50 -15.056 -1.347 -21.077 1.00 0.00 O ATOM 776 CB PHE A 50 -15.589 -4.485 -20.920 1.00 0.00 C ATOM 777 CG PHE A 50 -14.824 -5.737 -20.562 1.00 0.00 C ATOM 778 CD1 PHE A 50 -13.500 -5.895 -20.988 1.00 0.00 C ATOM 779 CD2 PHE A 50 -15.442 -6.740 -19.806 1.00 0.00 C ATOM 780 CE1 PHE A 50 -12.793 -7.057 -20.657 1.00 0.00 C ATOM 781 CE2 PHE A 50 -14.735 -7.902 -19.476 1.00 0.00 C ATOM 782 CZ PHE A 50 -13.410 -8.061 -19.901 1.00 0.00 C ATOM 0 H PHE A 50 -16.680 -4.541 -18.681 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.257 -3.362 -19.651 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -16.656 -4.701 -20.972 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.287 -4.132 -21.906 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -13.024 -5.121 -21.572 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.464 -6.617 -19.478 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.771 -7.179 -20.985 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.211 -8.676 -18.893 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.865 -8.958 -19.646 1.00 0.00 H new ATOM 792 N ASP A 51 -17.011 -1.681 -20.130 1.00 0.00 N ATOM 793 CA ASP A 51 -17.530 -0.375 -20.626 1.00 0.00 C ATOM 794 C ASP A 51 -16.897 0.761 -19.821 1.00 0.00 C ATOM 795 O ASP A 51 -16.300 1.666 -20.370 1.00 0.00 O ATOM 796 CB ASP A 51 -19.051 -0.333 -20.458 1.00 0.00 C ATOM 797 CG ASP A 51 -19.675 -1.541 -21.161 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.636 -2.618 -20.591 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.181 -1.366 -22.258 1.00 0.00 O ATOM 0 H ASP A 51 -17.671 -2.228 -19.577 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.278 -0.260 -21.680 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.311 -0.340 -19.400 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -19.449 0.591 -20.878 1.00 0.00 H new ATOM 804 N LYS A 52 -17.021 0.721 -18.523 1.00 0.00 N ATOM 805 CA LYS A 52 -16.426 1.798 -17.684 1.00 0.00 C ATOM 806 C LYS A 52 -14.905 1.792 -17.854 1.00 0.00 C ATOM 807 O LYS A 52 -14.256 2.815 -17.770 1.00 0.00 O ATOM 808 CB LYS A 52 -16.775 1.552 -16.216 1.00 0.00 C ATOM 809 CG LYS A 52 -16.689 2.870 -15.446 1.00 0.00 C ATOM 810 CD LYS A 52 -18.101 3.388 -15.167 1.00 0.00 C ATOM 811 CE LYS A 52 -18.768 3.785 -16.485 1.00 0.00 C ATOM 812 NZ LYS A 52 -20.013 4.552 -16.199 1.00 0.00 N ATOM 0 H LYS A 52 -17.509 -0.011 -18.007 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.824 2.764 -17.995 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.779 1.135 -16.134 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.090 0.821 -15.785 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.152 2.722 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.127 3.605 -16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.690 2.619 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.059 4.245 -14.495 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.085 4.389 -17.083 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.002 2.895 -17.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.467 4.823 -17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.665 3.961 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.777 5.408 -15.658 1.00 0.00 H new ATOM 826 N LEU A 53 -14.333 0.645 -18.093 1.00 0.00 N ATOM 827 CA LEU A 53 -12.857 0.569 -18.269 1.00 0.00 C ATOM 828 C LEU A 53 -12.450 1.344 -19.524 1.00 0.00 C ATOM 829 O LEU A 53 -11.473 2.066 -19.530 1.00 0.00 O ATOM 830 CB LEU A 53 -12.446 -0.898 -18.418 1.00 0.00 C ATOM 831 CG LEU A 53 -10.957 -1.051 -18.101 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.647 -2.521 -17.813 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.124 -0.580 -19.296 1.00 0.00 C ATOM 0 H LEU A 53 -14.826 -0.245 -18.174 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.361 1.004 -17.401 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.037 -1.521 -17.746 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.649 -1.241 -19.432 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.710 -0.447 -17.228 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.586 -2.632 -17.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.237 -2.857 -16.960 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.897 -3.123 -18.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.064 -0.690 -19.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.371 -1.181 -20.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.343 0.468 -19.502 1.00 0.00 H new ATOM 845 N GLU A 54 -13.190 1.198 -20.589 1.00 0.00 N ATOM 846 CA GLU A 54 -12.844 1.923 -21.845 1.00 0.00 C ATOM 847 C GLU A 54 -13.203 3.404 -21.706 1.00 0.00 C ATOM 848 O GLU A 54 -12.688 4.245 -22.415 1.00 0.00 O ATOM 849 CB GLU A 54 -13.628 1.318 -23.011 1.00 0.00 C ATOM 850 CG GLU A 54 -13.200 1.987 -24.320 1.00 0.00 C ATOM 851 CD GLU A 54 -14.243 3.031 -24.724 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.612 3.829 -23.879 1.00 0.00 O ATOM 853 OE2 GLU A 54 -14.653 3.016 -25.873 1.00 0.00 O ATOM 0 H GLU A 54 -14.020 0.608 -20.644 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.774 1.829 -22.032 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.449 0.244 -23.064 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.698 1.456 -22.853 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.225 2.459 -24.198 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.095 1.239 -25.106 1.00 0.00 H new ATOM 860 N LYS A 55 -14.086 3.733 -20.802 1.00 0.00 N ATOM 861 CA LYS A 55 -14.473 5.163 -20.629 1.00 0.00 C ATOM 862 C LYS A 55 -13.439 5.871 -19.750 1.00 0.00 C ATOM 863 O LYS A 55 -12.814 6.830 -20.160 1.00 0.00 O ATOM 864 CB LYS A 55 -15.848 5.245 -19.963 1.00 0.00 C ATOM 865 CG LYS A 55 -16.942 5.106 -21.026 1.00 0.00 C ATOM 866 CD LYS A 55 -18.311 5.340 -20.385 1.00 0.00 C ATOM 867 CE LYS A 55 -19.390 5.337 -21.471 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.838 6.734 -21.731 1.00 0.00 N ATOM 0 H LYS A 55 -14.555 3.076 -20.178 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.513 5.647 -21.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.950 4.457 -19.217 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.954 6.195 -19.440 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.777 5.825 -21.829 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.904 4.113 -21.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.518 4.562 -19.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.318 6.291 -19.853 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.998 4.893 -22.386 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.236 4.725 -21.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.571 6.732 -22.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.227 7.142 -20.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.029 7.305 -22.049 1.00 0.00 H new ATOM 882 N ALA A 56 -13.257 5.412 -18.544 1.00 0.00 N ATOM 883 CA ALA A 56 -12.267 6.061 -17.640 1.00 0.00 C ATOM 884 C ALA A 56 -10.884 6.060 -18.299 1.00 0.00 C ATOM 885 O ALA A 56 -10.107 6.978 -18.131 1.00 0.00 O ATOM 886 CB ALA A 56 -12.205 5.291 -16.319 1.00 0.00 C ATOM 0 H ALA A 56 -13.752 4.614 -18.144 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.572 7.090 -17.450 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.481 5.764 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.188 5.298 -15.847 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.902 4.262 -16.512 1.00 0.00 H new ATOM 892 N ALA A 57 -10.571 5.036 -19.045 1.00 0.00 N ATOM 893 CA ALA A 57 -9.237 4.979 -19.708 1.00 0.00 C ATOM 894 C ALA A 57 -9.194 5.975 -20.870 1.00 0.00 C ATOM 895 O ALA A 57 -8.258 6.737 -21.012 1.00 0.00 O ATOM 896 CB ALA A 57 -8.994 3.566 -20.241 1.00 0.00 C ATOM 0 H ALA A 57 -11.180 4.238 -19.224 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.464 5.236 -18.984 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.019 3.523 -20.726 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.020 2.856 -19.414 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.770 3.311 -20.963 1.00 0.00 H new ATOM 902 N VAL A 58 -10.195 5.972 -21.705 1.00 0.00 N ATOM 903 CA VAL A 58 -10.208 6.913 -22.860 1.00 0.00 C ATOM 904 C VAL A 58 -10.021 8.348 -22.363 1.00 0.00 C ATOM 905 O VAL A 58 -9.260 9.114 -22.920 1.00 0.00 O ATOM 906 CB VAL A 58 -11.546 6.800 -23.595 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.785 8.067 -24.418 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.514 5.586 -24.526 1.00 0.00 C ATOM 0 H VAL A 58 -11.006 5.357 -21.638 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.394 6.658 -23.539 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.351 6.682 -22.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.738 7.987 -24.941 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.807 8.932 -23.756 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.981 8.186 -25.144 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.466 5.504 -25.050 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.709 5.705 -25.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.344 4.683 -23.940 1.00 0.00 H new ATOM 918 N GLU A 59 -10.713 8.723 -21.322 1.00 0.00 N ATOM 919 CA GLU A 59 -10.576 10.112 -20.797 1.00 0.00 C ATOM 920 C GLU A 59 -9.181 10.302 -20.195 1.00 0.00 C ATOM 921 O GLU A 59 -8.566 11.339 -20.349 1.00 0.00 O ATOM 922 CB GLU A 59 -11.632 10.356 -19.717 1.00 0.00 C ATOM 923 CG GLU A 59 -11.689 11.849 -19.388 1.00 0.00 C ATOM 924 CD GLU A 59 -12.887 12.127 -18.479 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.836 11.363 -18.533 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.834 13.100 -17.745 1.00 0.00 O ATOM 0 H GLU A 59 -11.367 8.129 -20.812 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.717 10.820 -21.613 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.607 10.011 -20.062 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.390 9.784 -18.821 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.767 12.159 -18.897 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.773 12.431 -20.306 1.00 0.00 H new ATOM 933 N ALA A 60 -8.678 9.313 -19.509 1.00 0.00 N ATOM 934 CA ALA A 60 -7.326 9.442 -18.896 1.00 0.00 C ATOM 935 C ALA A 60 -6.323 9.915 -19.953 1.00 0.00 C ATOM 936 O ALA A 60 -5.543 10.817 -19.722 1.00 0.00 O ATOM 937 CB ALA A 60 -6.884 8.084 -18.346 1.00 0.00 C ATOM 0 H ALA A 60 -9.145 8.421 -19.346 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.366 10.169 -18.085 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.895 8.178 -17.897 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.595 7.749 -17.591 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.847 7.357 -19.158 1.00 0.00 H new ATOM 943 N PHE A 61 -6.335 9.311 -21.109 1.00 0.00 N ATOM 944 CA PHE A 61 -5.380 9.724 -22.176 1.00 0.00 C ATOM 945 C PHE A 61 -5.737 11.127 -22.672 1.00 0.00 C ATOM 946 O PHE A 61 -4.944 12.044 -22.591 1.00 0.00 O ATOM 947 CB PHE A 61 -5.459 8.735 -23.342 1.00 0.00 C ATOM 948 CG PHE A 61 -4.878 9.371 -24.582 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.505 9.283 -24.837 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.714 10.050 -25.477 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.966 9.874 -25.987 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.176 10.641 -26.628 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.802 10.552 -26.882 1.00 0.00 C ATOM 0 H PHE A 61 -6.965 8.549 -21.361 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.368 9.731 -21.772 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.913 7.824 -23.098 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.495 8.447 -23.519 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.860 8.759 -24.147 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.774 10.118 -25.280 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.906 9.807 -26.183 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.821 11.165 -27.318 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.387 11.007 -27.769 1.00 0.00 H new ATOM 963 N LYS A 62 -6.923 11.303 -23.187 1.00 0.00 N ATOM 964 CA LYS A 62 -7.324 12.648 -23.689 1.00 0.00 C ATOM 965 C LYS A 62 -6.738 13.730 -22.778 1.00 0.00 C ATOM 966 O LYS A 62 -6.367 14.798 -23.225 1.00 0.00 O ATOM 967 CB LYS A 62 -8.850 12.761 -23.696 1.00 0.00 C ATOM 968 CG LYS A 62 -9.269 13.964 -24.544 1.00 0.00 C ATOM 969 CD LYS A 62 -10.301 14.795 -23.779 1.00 0.00 C ATOM 970 CE LYS A 62 -10.929 15.825 -24.721 1.00 0.00 C ATOM 971 NZ LYS A 62 -9.853 16.532 -25.474 1.00 0.00 N ATOM 0 H LYS A 62 -7.631 10.575 -23.282 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.946 12.781 -24.703 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.291 11.849 -24.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.222 12.873 -22.677 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.398 14.575 -24.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.689 13.626 -25.491 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.073 14.145 -23.367 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.826 15.299 -22.937 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.609 15.331 -25.415 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.520 16.542 -24.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.212 17.447 -25.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.038 16.691 -24.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.558 15.952 -26.285 1.00 0.00 H new ATOM 985 N MET A 63 -6.649 13.463 -21.503 1.00 0.00 N ATOM 986 CA MET A 63 -6.087 14.478 -20.567 1.00 0.00 C ATOM 987 C MET A 63 -4.585 14.625 -20.815 1.00 0.00 C ATOM 988 O MET A 63 -4.089 15.705 -21.069 1.00 0.00 O ATOM 989 CB MET A 63 -6.322 14.027 -19.124 1.00 0.00 C ATOM 990 CG MET A 63 -7.521 14.776 -18.540 1.00 0.00 C ATOM 991 SD MET A 63 -7.583 14.511 -16.751 1.00 0.00 S ATOM 992 CE MET A 63 -7.815 12.717 -16.796 1.00 0.00 C ATOM 0 H MET A 63 -6.941 12.587 -21.070 1.00 0.00 H new ATOM 0 HA MET A 63 -6.579 15.436 -20.734 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.502 12.952 -19.093 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.433 14.219 -18.523 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.440 15.841 -18.758 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.443 14.425 -19.003 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.244 12.382 -15.852 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.488 12.458 -17.613 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.852 12.229 -16.950 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.854 13.546 -20.742 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.383 13.622 -20.971 1.00 0.00 C ATOM 1004 C GLY A 64 -1.715 12.374 -20.391 1.00 0.00 C ATOM 1005 O GLY A 64 -0.644 11.981 -20.808 1.00 0.00 O ATOM 0 H GLY A 64 -4.212 12.614 -20.533 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.173 13.698 -22.038 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.976 14.518 -20.501 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.340 11.747 -19.433 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.743 10.524 -18.828 1.00 0.00 C ATOM 1011 C PHE A 65 -1.563 9.460 -19.911 1.00 0.00 C ATOM 1012 O PHE A 65 -2.508 9.057 -20.560 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.673 9.986 -17.737 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.623 10.894 -16.532 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.470 12.007 -16.457 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.733 10.621 -15.486 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.426 12.847 -15.337 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.689 11.461 -14.366 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.536 12.574 -14.292 1.00 0.00 C ATOM 0 H PHE A 65 -3.239 12.029 -19.043 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.775 10.770 -18.391 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.694 9.923 -18.114 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.374 8.976 -17.456 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.157 12.218 -17.263 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.080 9.762 -15.543 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.079 13.705 -15.280 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.002 11.250 -13.560 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.502 13.222 -13.428 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.360 8.998 -20.111 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.128 7.958 -21.152 1.00 0.00 C ATOM 1031 C GLU A 66 -0.735 6.634 -20.684 1.00 0.00 C ATOM 1032 O GLU A 66 -0.071 5.809 -20.088 1.00 0.00 O ATOM 1033 CB GLU A 66 1.375 7.784 -21.374 1.00 0.00 C ATOM 1034 CG GLU A 66 1.754 8.332 -22.752 1.00 0.00 C ATOM 1035 CD GLU A 66 1.706 9.861 -22.726 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.314 10.437 -21.839 1.00 0.00 O ATOM 1037 OE2 GLU A 66 1.062 10.428 -23.593 1.00 0.00 O ATOM 0 H GLU A 66 0.471 9.295 -19.600 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.596 8.264 -22.087 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.931 8.308 -20.597 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.644 6.730 -21.303 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.753 7.994 -23.027 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.069 7.949 -23.508 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.998 6.429 -20.944 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.655 5.164 -20.512 1.00 0.00 C ATOM 1046 C VAL A 67 -1.947 3.969 -21.153 1.00 0.00 C ATOM 1047 O VAL A 67 -1.471 4.041 -22.269 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.124 5.186 -20.943 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.249 4.653 -22.371 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.947 4.305 -19.999 1.00 0.00 C ATOM 0 H VAL A 67 -2.603 7.085 -21.438 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.594 5.074 -19.427 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.495 6.210 -20.904 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.296 4.670 -22.675 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.665 5.279 -23.045 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.876 3.630 -22.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.993 4.321 -20.306 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.573 3.282 -20.037 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.862 4.684 -18.981 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.876 2.868 -20.456 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.202 1.666 -21.024 1.00 0.00 C ATOM 1062 C LEU A 68 -2.171 0.483 -20.999 1.00 0.00 C ATOM 1063 O LEU A 68 -2.856 0.251 -20.023 1.00 0.00 O ATOM 1064 CB LEU A 68 0.037 1.332 -20.188 1.00 0.00 C ATOM 1065 CG LEU A 68 1.249 1.164 -21.107 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.530 1.196 -20.272 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.153 -0.177 -21.837 1.00 0.00 C ATOM 0 H LEU A 68 -2.256 2.749 -19.517 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.900 1.868 -22.052 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.224 2.126 -19.465 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.131 0.417 -19.621 1.00 0.00 H new ATOM 0 HG LEU A 68 1.268 1.975 -21.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.394 1.076 -20.926 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.600 2.150 -19.749 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.511 0.384 -19.545 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.016 -0.297 -22.492 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.135 -0.987 -21.108 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.240 -0.203 -22.432 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.236 -0.265 -22.065 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.166 -1.428 -22.102 1.00 0.00 C ATOM 1081 C GLU A 69 -3.127 -2.162 -20.760 1.00 0.00 C ATOM 1082 O GLU A 69 -2.146 -2.117 -20.044 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.744 -2.386 -23.220 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.519 -1.597 -24.513 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.659 -1.888 -25.492 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.772 -3.027 -25.915 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.397 -0.968 -25.801 1.00 0.00 O ATOM 0 H GLU A 69 -1.686 -0.121 -22.912 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.179 -1.073 -22.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.831 -2.910 -22.938 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.512 -3.144 -23.373 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.474 -0.530 -24.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.563 -1.873 -24.959 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.189 -2.836 -20.414 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.216 -3.573 -19.120 1.00 0.00 C ATOM 1096 C ALA A 70 -4.072 -5.072 -19.381 1.00 0.00 C ATOM 1097 O ALA A 70 -4.334 -5.552 -20.467 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.547 -3.311 -18.411 1.00 0.00 C ATOM 0 H ALA A 70 -5.040 -2.908 -20.972 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.393 -3.231 -18.493 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.567 -3.850 -17.464 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.655 -2.243 -18.223 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.368 -3.653 -19.041 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.661 -5.816 -18.393 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.503 -7.285 -18.579 1.00 0.00 C ATOM 1106 C GLU A 71 -4.419 -8.017 -17.597 1.00 0.00 C ATOM 1107 O GLU A 71 -5.128 -7.405 -16.824 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.047 -7.679 -18.318 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.130 -6.907 -19.270 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.372 -7.375 -20.706 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -1.842 -8.489 -20.873 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -1.085 -6.612 -21.614 1.00 0.00 O ATOM 0 H GLU A 71 -3.427 -5.469 -17.463 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.771 -7.558 -19.600 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.780 -7.462 -17.284 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.918 -8.752 -18.462 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.322 -5.837 -19.188 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.087 -7.066 -18.996 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.414 -9.320 -17.621 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.289 -10.083 -16.688 1.00 0.00 C ATOM 1121 C GLU A 72 -4.524 -10.391 -15.400 1.00 0.00 C ATOM 1122 O GLU A 72 -3.525 -11.081 -15.407 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.722 -11.393 -17.352 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.411 -11.087 -18.683 1.00 0.00 C ATOM 1125 CD GLU A 72 -6.586 -12.383 -19.478 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.451 -13.441 -18.887 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -6.852 -12.294 -20.665 1.00 0.00 O ATOM 0 H GLU A 72 -3.843 -9.889 -18.245 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.170 -9.487 -16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.855 -12.033 -17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.400 -11.939 -16.696 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.381 -10.624 -18.504 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.818 -10.374 -19.256 1.00 0.00 H new ATOM 1134 N THR A 73 -4.989 -9.884 -14.291 1.00 0.00 N ATOM 1135 CA THR A 73 -4.293 -10.146 -13.000 1.00 0.00 C ATOM 1136 C THR A 73 -5.314 -10.120 -11.859 1.00 0.00 C ATOM 1137 O THR A 73 -6.504 -10.229 -12.079 1.00 0.00 O ATOM 1138 CB THR A 73 -3.233 -9.067 -12.763 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.678 -9.226 -11.465 1.00 0.00 O ATOM 1140 CG2 THR A 73 -3.873 -7.683 -12.880 1.00 0.00 C ATOM 0 H THR A 73 -5.822 -9.299 -14.224 1.00 0.00 H new ATOM 0 HA THR A 73 -3.812 -11.124 -13.036 1.00 0.00 H new ATOM 0 HB THR A 73 -2.445 -9.164 -13.510 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.998 -8.537 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.116 -6.917 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.296 -7.561 -13.877 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.663 -7.583 -12.136 1.00 0.00 H new ATOM 1223 N LYS A 80 -9.981 -11.845 -10.739 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.179 -11.720 -12.211 1.00 0.00 C ATOM 1225 C LYS A 80 -10.597 -10.288 -12.552 1.00 0.00 C ATOM 1226 O LYS A 80 -11.749 -9.922 -12.430 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.273 -12.689 -12.664 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.170 -12.906 -14.176 1.00 0.00 C ATOM 1229 CD LYS A 80 -12.566 -13.141 -14.755 1.00 0.00 C ATOM 1230 CE LYS A 80 -12.475 -13.258 -16.278 1.00 0.00 C ATOM 1231 NZ LYS A 80 -13.173 -14.497 -16.723 1.00 0.00 N ATOM 0 HA LYS A 80 -9.246 -11.958 -12.722 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.170 -13.640 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.255 -12.290 -12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.711 -12.038 -14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.528 -13.761 -14.388 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.997 -14.050 -14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.228 -12.319 -14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.927 -12.384 -16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.431 -13.284 -16.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.112 -14.577 -17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.723 -15.326 -16.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.172 -14.454 -16.438 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.671 -9.474 -12.981 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.018 -8.068 -13.331 1.00 0.00 C ATOM 1247 C LEU A 81 -8.968 -7.508 -14.293 1.00 0.00 C ATOM 1248 O LEU A 81 -7.959 -8.132 -14.557 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.048 -7.218 -12.059 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.810 -7.517 -11.214 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.569 -6.961 -11.915 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.958 -6.857 -9.842 1.00 0.00 C ATOM 0 H LEU A 81 -8.689 -9.722 -13.104 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.998 -8.044 -13.808 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.078 -6.159 -12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.951 -7.432 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.706 -8.595 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.685 -7.174 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.463 -7.430 -12.893 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.673 -5.883 -12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.075 -7.070 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.061 -5.779 -9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.843 -7.251 -9.342 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.196 -6.336 -14.822 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.210 -5.739 -15.766 1.00 0.00 C ATOM 1266 C LEU A 82 -7.567 -4.510 -15.121 1.00 0.00 C ATOM 1267 O LEU A 82 -8.216 -3.750 -14.427 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.924 -5.328 -17.056 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.416 -6.579 -17.785 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -10.918 -6.750 -17.551 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.147 -6.435 -19.283 1.00 0.00 C ATOM 0 H LEU A 82 -10.023 -5.767 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.437 -6.472 -15.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.765 -4.673 -16.827 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.246 -4.764 -17.696 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.888 -7.452 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.268 -7.642 -18.071 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.110 -6.853 -16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.447 -5.877 -17.932 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.498 -7.327 -19.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.675 -5.561 -19.665 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.077 -6.315 -19.451 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.294 -4.310 -15.340 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.609 -3.134 -14.735 1.00 0.00 C ATOM 1285 C CYS A 83 -4.733 -2.444 -15.781 1.00 0.00 C ATOM 1286 O CYS A 83 -3.774 -3.007 -16.272 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.736 -3.599 -13.567 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.514 -4.792 -14.165 1.00 0.00 S ATOM 0 H CYS A 83 -5.701 -4.911 -15.912 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.359 -2.429 -14.376 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.234 -2.745 -13.112 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.356 -4.054 -12.794 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.077 -4.418 -15.331 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.048 -1.222 -16.119 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.228 -0.492 -17.124 1.00 0.00 C ATOM 1296 C PHE A 84 -3.224 0.400 -16.395 1.00 0.00 C ATOM 1297 O PHE A 84 -3.390 0.714 -15.232 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.134 0.372 -18.007 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.305 0.873 -17.198 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.277 -0.025 -16.741 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.421 2.238 -16.908 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.364 0.442 -15.994 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.508 2.704 -16.160 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.480 1.806 -15.703 1.00 0.00 C ATOM 0 H PHE A 84 -5.838 -0.699 -15.741 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.699 -1.209 -17.752 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.570 1.214 -18.409 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.490 -0.209 -18.858 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.188 -1.078 -16.965 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.672 2.931 -17.262 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.114 -0.251 -15.642 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.597 3.757 -15.935 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.319 2.166 -15.126 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.180 0.806 -17.062 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.167 1.670 -16.394 1.00 0.00 C ATOM 1316 C ASP A 85 -1.160 3.056 -17.042 1.00 0.00 C ATOM 1317 O ASP A 85 -1.394 3.203 -18.224 1.00 0.00 O ATOM 1318 CB ASP A 85 0.218 1.034 -16.533 1.00 0.00 C ATOM 1319 CG ASP A 85 0.114 -0.474 -16.291 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.936 -1.029 -16.571 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.086 -1.048 -15.830 1.00 0.00 O ATOM 0 H ASP A 85 -1.985 0.578 -18.037 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.419 1.768 -15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.620 1.227 -17.528 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.909 1.481 -15.818 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.892 4.076 -16.271 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.867 5.456 -16.833 1.00 0.00 C ATOM 1328 C ALA A 86 0.520 6.066 -16.617 1.00 0.00 C ATOM 1329 O ALA A 86 1.133 5.886 -15.584 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.921 6.312 -16.128 1.00 0.00 C ATOM 0 H ALA A 86 -0.689 4.012 -15.273 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.086 5.421 -17.900 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.904 7.322 -16.538 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.907 5.875 -16.282 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.704 6.350 -15.061 1.00 0.00 H new ATOM 1336 N THR A 87 1.022 6.784 -17.585 1.00 0.00 N ATOM 1337 CA THR A 87 2.370 7.400 -17.431 1.00 0.00 C ATOM 1338 C THR A 87 2.288 8.899 -17.729 1.00 0.00 C ATOM 1339 O THR A 87 1.503 9.339 -18.545 1.00 0.00 O ATOM 1340 CB THR A 87 3.347 6.740 -18.408 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.616 6.074 -19.428 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.216 5.730 -17.657 1.00 0.00 C ATOM 0 H THR A 87 0.558 6.970 -18.474 1.00 0.00 H new ATOM 0 HA THR A 87 2.720 7.253 -16.409 1.00 0.00 H new ATOM 0 HB THR A 87 3.985 7.502 -18.857 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.240 5.652 -20.055 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.911 5.260 -18.353 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.776 6.242 -16.875 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.581 4.967 -17.208 1.00 0.00 H new ATOM 1350 N MET A 88 3.099 9.685 -17.074 1.00 0.00 N ATOM 1351 CA MET A 88 3.075 11.155 -17.317 1.00 0.00 C ATOM 1352 C MET A 88 4.387 11.768 -16.823 1.00 0.00 C ATOM 1353 O MET A 88 4.787 11.574 -15.693 1.00 0.00 O ATOM 1354 CB MET A 88 1.903 11.782 -16.560 1.00 0.00 C ATOM 1355 CG MET A 88 1.782 13.259 -16.941 1.00 0.00 C ATOM 1356 SD MET A 88 0.416 13.472 -18.109 1.00 0.00 S ATOM 1357 CE MET A 88 -0.702 14.349 -16.991 1.00 0.00 C ATOM 0 H MET A 88 3.778 9.372 -16.380 1.00 0.00 H new ATOM 0 HA MET A 88 2.958 11.346 -18.384 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.979 11.257 -16.800 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.056 11.684 -15.485 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.610 13.862 -16.050 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.713 13.608 -17.387 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.642 14.553 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.894 13.734 -16.112 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.245 15.289 -16.683 1.00 0.00 H new ATOM 1367 N GLN A 89 5.064 12.502 -17.663 1.00 0.00 N ATOM 1368 CA GLN A 89 6.351 13.120 -17.239 1.00 0.00 C ATOM 1369 C GLN A 89 6.070 14.375 -16.407 1.00 0.00 C ATOM 1370 O GLN A 89 5.400 15.286 -16.849 1.00 0.00 O ATOM 1371 CB GLN A 89 7.165 13.502 -18.478 1.00 0.00 C ATOM 1372 CG GLN A 89 8.028 12.314 -18.913 1.00 0.00 C ATOM 1373 CD GLN A 89 7.145 11.251 -19.569 1.00 0.00 C ATOM 1374 OE1 GLN A 89 5.943 11.247 -19.390 1.00 0.00 O ATOM 1375 NE2 GLN A 89 7.694 10.342 -20.329 1.00 0.00 N ATOM 0 H GLN A 89 4.782 12.700 -18.623 1.00 0.00 H new ATOM 0 HA GLN A 89 6.914 12.406 -16.638 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.497 13.795 -19.288 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.797 14.363 -18.259 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.795 12.646 -19.612 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.544 11.891 -18.051 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.703 10.345 -20.480 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.114 9.629 -20.772 1.00 0.00 H new ATOM 1384 N SER A 90 6.581 14.427 -15.207 1.00 0.00 N ATOM 1385 CA SER A 90 6.348 15.622 -14.346 1.00 0.00 C ATOM 1386 C SER A 90 7.632 15.953 -13.582 1.00 0.00 C ATOM 1387 O SER A 90 8.673 15.374 -13.823 1.00 0.00 O ATOM 1388 CB SER A 90 5.225 15.323 -13.351 1.00 0.00 C ATOM 1389 OG SER A 90 5.779 14.742 -12.178 1.00 0.00 O ATOM 0 H SER A 90 7.150 13.693 -14.785 1.00 0.00 H new ATOM 0 HA SER A 90 6.064 16.471 -14.968 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.692 16.240 -13.100 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.498 14.645 -13.798 1.00 0.00 H new ATOM 0 HG SER A 90 5.062 14.551 -11.538 1.00 0.00 H new ATOM 1395 N ALA A 91 7.570 16.877 -12.664 1.00 0.00 N ATOM 1396 CA ALA A 91 8.792 17.238 -11.891 1.00 0.00 C ATOM 1397 C ALA A 91 8.748 16.560 -10.520 1.00 0.00 C ATOM 1398 O ALA A 91 7.722 16.518 -9.870 1.00 0.00 O ATOM 1399 CB ALA A 91 8.851 18.756 -11.707 1.00 0.00 C ATOM 0 H ALA A 91 6.728 17.397 -12.416 1.00 0.00 H new ATOM 0 HA ALA A 91 9.676 16.903 -12.434 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.745 19.020 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.883 19.240 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.967 19.091 -11.165 1.00 0.00 H new ATOM 1405 N LEU A 92 9.853 16.027 -10.073 1.00 0.00 N ATOM 1406 CA LEU A 92 9.871 15.353 -8.743 1.00 0.00 C ATOM 1407 C LEU A 92 9.427 16.344 -7.667 1.00 0.00 C ATOM 1408 O LEU A 92 10.173 17.214 -7.264 1.00 0.00 O ATOM 1409 CB LEU A 92 11.288 14.866 -8.434 1.00 0.00 C ATOM 1410 CG LEU A 92 11.249 13.904 -7.244 1.00 0.00 C ATOM 1411 CD1 LEU A 92 11.253 12.461 -7.752 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.477 14.135 -6.361 1.00 0.00 C ATOM 0 H LEU A 92 10.743 16.029 -10.571 1.00 0.00 H new ATOM 0 HA LEU A 92 9.191 14.501 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.710 14.366 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.934 15.714 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 92 10.344 14.083 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.225 11.777 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.379 12.294 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.158 12.282 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.450 13.450 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.382 13.957 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.476 15.163 -5.997 1.00 0.00 H new ATOM 1424 N ASP A 93 8.215 16.222 -7.198 1.00 0.00 N ATOM 1425 CA ASP A 93 7.725 17.161 -6.150 1.00 0.00 C ATOM 1426 C ASP A 93 6.459 16.590 -5.507 1.00 0.00 C ATOM 1427 O ASP A 93 5.611 16.032 -6.173 1.00 0.00 O ATOM 1428 CB ASP A 93 7.408 18.515 -6.787 1.00 0.00 C ATOM 1429 CG ASP A 93 8.666 19.386 -6.789 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.951 19.984 -5.765 1.00 0.00 O ATOM 1431 OD2 ASP A 93 9.324 19.439 -7.816 1.00 0.00 O ATOM 0 H ASP A 93 7.544 15.514 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 93 8.494 17.290 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.049 18.374 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.610 19.011 -6.234 1.00 0.00 H new ATOM 1436 N ALA A 94 6.323 16.727 -4.215 1.00 0.00 N ATOM 1437 CA ALA A 94 5.111 16.193 -3.534 1.00 0.00 C ATOM 1438 C ALA A 94 3.882 16.974 -4.001 1.00 0.00 C ATOM 1439 O ALA A 94 3.057 16.470 -4.737 1.00 0.00 O ATOM 1440 CB ALA A 94 5.267 16.347 -2.021 1.00 0.00 C ATOM 0 H ALA A 94 6.999 17.185 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 94 4.989 15.138 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.380 15.956 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.145 15.793 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.388 17.402 -1.773 1.00 0.00 H new ATOM 1446 N LYS A 95 3.754 18.203 -3.580 1.00 0.00 N ATOM 1447 CA LYS A 95 2.579 19.017 -4.000 1.00 0.00 C ATOM 1448 C LYS A 95 2.201 18.664 -5.440 1.00 0.00 C ATOM 1449 O LYS A 95 1.046 18.462 -5.756 1.00 0.00 O ATOM 1450 CB LYS A 95 2.935 20.502 -3.912 1.00 0.00 C ATOM 1451 CG LYS A 95 3.207 20.875 -2.453 1.00 0.00 C ATOM 1452 CD LYS A 95 3.639 22.340 -2.371 1.00 0.00 C ATOM 1453 CE LYS A 95 2.406 23.228 -2.202 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.911 23.129 -0.799 1.00 0.00 N ATOM 0 H LYS A 95 4.413 18.678 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 95 1.735 18.806 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.813 20.713 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.119 21.107 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.311 20.715 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.985 20.232 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.320 22.483 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.181 22.621 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.654 24.262 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.625 22.920 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.313 23.952 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.354 22.258 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.720 23.108 -0.146 1.00 0.00 H new ATOM 1468 N LEU A 96 3.166 18.585 -6.316 1.00 0.00 N ATOM 1469 CA LEU A 96 2.858 18.241 -7.734 1.00 0.00 C ATOM 1470 C LEU A 96 2.170 16.875 -7.787 1.00 0.00 C ATOM 1471 O LEU A 96 1.093 16.731 -8.332 1.00 0.00 O ATOM 1472 CB LEU A 96 4.158 18.192 -8.541 1.00 0.00 C ATOM 1473 CG LEU A 96 3.874 18.561 -9.999 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.835 17.599 -10.576 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.337 19.992 -10.069 1.00 0.00 C ATOM 0 H LEU A 96 4.153 18.743 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 96 2.197 18.997 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.887 18.882 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.594 17.194 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 96 4.796 18.490 -10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.633 17.862 -11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.217 16.579 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.914 17.669 -9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.135 20.254 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.416 20.064 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.077 20.679 -9.659 1.00 0.00 H new ATOM 1487 N ILE A 97 2.783 15.868 -7.222 1.00 0.00 N ATOM 1488 CA ILE A 97 2.160 14.515 -7.239 1.00 0.00 C ATOM 1489 C ILE A 97 0.764 14.593 -6.618 1.00 0.00 C ATOM 1490 O ILE A 97 -0.121 13.832 -6.956 1.00 0.00 O ATOM 1491 CB ILE A 97 3.026 13.542 -6.433 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.204 13.075 -7.292 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.187 12.332 -6.020 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.416 12.808 -6.398 1.00 0.00 C ATOM 0 H ILE A 97 3.686 15.925 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 97 2.083 14.162 -8.267 1.00 0.00 H new ATOM 0 HB ILE A 97 3.402 14.045 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.934 12.170 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.448 13.833 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.804 11.640 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.348 12.663 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.810 11.829 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.254 12.476 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.690 13.724 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.169 12.034 -5.671 1.00 0.00 H new ATOM 1506 N ASP A 98 0.558 15.514 -5.718 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.782 15.646 -5.080 1.00 0.00 C ATOM 1508 C ASP A 98 -1.807 16.048 -6.142 1.00 0.00 C ATOM 1509 O ASP A 98 -2.897 15.517 -6.200 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.724 16.718 -3.989 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.029 16.706 -3.191 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.815 15.794 -3.389 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -2.222 17.610 -2.394 1.00 0.00 O ATOM 0 H ASP A 98 1.260 16.181 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.073 14.695 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.121 16.532 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.568 17.699 -4.437 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.462 16.981 -6.988 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.414 17.413 -8.048 1.00 0.00 C ATOM 1520 C GLU A 99 -2.747 16.222 -8.948 1.00 0.00 C ATOM 1521 O GLU A 99 -3.897 15.915 -9.190 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.778 18.525 -8.886 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.275 19.886 -8.392 1.00 0.00 C ATOM 1524 CD GLU A 99 -3.570 20.252 -9.121 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -3.541 20.325 -10.338 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -4.568 20.454 -8.449 1.00 0.00 O ATOM 0 H GLU A 99 -0.562 17.462 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.328 17.787 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.692 18.474 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.033 18.393 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.448 19.853 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.517 20.649 -8.570 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.747 15.544 -9.446 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.010 14.371 -10.326 1.00 0.00 C ATOM 1535 C GLN A 100 -2.849 13.342 -9.565 1.00 0.00 C ATOM 1536 O GLN A 100 -3.920 12.962 -9.992 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.682 13.735 -10.744 1.00 0.00 C ATOM 1538 CG GLN A 100 0.215 14.797 -11.385 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.498 15.404 -12.595 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.913 16.545 -12.560 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.660 14.684 -13.670 1.00 0.00 N ATOM 0 H GLN A 100 -0.762 15.752 -9.281 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.550 14.699 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.186 13.301 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.862 12.923 -11.448 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.450 15.576 -10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.161 14.352 -11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.311 13.726 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.135 15.079 -14.482 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.370 12.892 -8.437 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.142 11.892 -7.647 1.00 0.00 C ATOM 1552 C VAL A 101 -4.555 12.423 -7.405 1.00 0.00 C ATOM 1553 O VAL A 101 -5.485 11.670 -7.191 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.446 11.656 -6.304 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.251 10.650 -5.479 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.040 11.101 -6.550 1.00 0.00 C ATOM 0 H VAL A 101 -1.478 13.173 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.195 10.952 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.378 12.599 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.754 10.483 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.253 11.042 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.320 9.707 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.543 10.932 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.111 10.159 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.464 11.816 -7.137 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.727 13.716 -7.442 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.081 14.298 -7.217 1.00 0.00 C ATOM 1568 C GLU A 102 -6.947 14.056 -8.456 1.00 0.00 C ATOM 1569 O GLU A 102 -8.082 13.632 -8.359 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.954 15.802 -6.965 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.572 16.148 -5.608 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.110 17.541 -5.175 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -5.370 18.157 -5.923 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -6.505 17.968 -4.103 1.00 0.00 O ATOM 0 H GLU A 102 -3.987 14.396 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.544 13.825 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.905 16.097 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.456 16.358 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.660 16.119 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.278 15.408 -4.864 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.420 14.323 -9.620 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.211 14.109 -10.865 1.00 0.00 C ATOM 1583 C LYS A 103 -7.541 12.623 -11.013 1.00 0.00 C ATOM 1584 O LYS A 103 -8.648 12.252 -11.348 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.394 14.571 -12.074 1.00 0.00 C ATOM 1586 CG LYS A 103 -7.288 14.612 -13.314 1.00 0.00 C ATOM 1587 CD LYS A 103 -8.048 15.939 -13.352 1.00 0.00 C ATOM 1588 CE LYS A 103 -9.412 15.728 -14.012 1.00 0.00 C ATOM 1589 NZ LYS A 103 -10.159 17.017 -14.032 1.00 0.00 N ATOM 0 H LYS A 103 -5.475 14.680 -9.762 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.136 14.683 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.973 15.558 -11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.556 13.893 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.684 14.501 -14.215 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.991 13.779 -13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.177 16.325 -12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.475 16.682 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.282 15.355 -15.028 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.980 14.975 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.086 16.874 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.294 17.355 -13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.619 17.723 -14.572 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.585 11.768 -10.768 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.841 10.306 -10.897 1.00 0.00 C ATOM 1605 C LEU A 104 -7.829 9.858 -9.818 1.00 0.00 C ATOM 1606 O LEU A 104 -8.590 8.931 -10.006 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.525 9.542 -10.728 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.602 9.849 -11.908 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.267 9.127 -11.713 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.257 9.367 -13.205 1.00 0.00 C ATOM 0 H LEU A 104 -5.638 12.019 -10.484 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.262 10.099 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.044 9.827 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.719 8.471 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.429 10.924 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.609 9.346 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.800 9.468 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.439 8.052 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.600 9.585 -14.047 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.429 8.292 -13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.209 9.880 -13.345 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.822 10.507 -8.686 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.758 10.114 -7.596 1.00 0.00 C ATOM 1624 C VAL A 105 -10.168 10.611 -7.925 1.00 0.00 C ATOM 1625 O VAL A 105 -11.128 9.868 -7.868 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.293 10.735 -6.279 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.483 10.873 -5.328 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.232 9.837 -5.639 1.00 0.00 C ATOM 0 H VAL A 105 -7.208 11.292 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.771 9.028 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.869 11.720 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.149 11.316 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.240 11.513 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.909 9.889 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.900 10.279 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.657 8.852 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.382 9.739 -6.315 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.302 11.863 -8.267 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.650 12.409 -8.595 1.00 0.00 C ATOM 1640 C ASN A 106 -12.208 11.699 -9.832 1.00 0.00 C ATOM 1641 O ASN A 106 -13.337 11.249 -9.846 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.534 13.907 -8.877 1.00 0.00 C ATOM 1643 CG ASN A 106 -12.075 14.697 -7.684 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -13.061 15.396 -7.800 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.466 14.613 -6.533 1.00 0.00 N ATOM 0 H ASN A 106 -9.535 12.533 -8.334 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.322 12.245 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.493 14.173 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.092 14.162 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.818 15.135 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.638 14.026 -6.436 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.428 11.601 -10.873 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.913 10.927 -12.112 1.00 0.00 C ATOM 1654 C LEU A 107 -12.225 9.458 -11.812 1.00 0.00 C ATOM 1655 O LEU A 107 -13.250 8.938 -12.208 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.827 11.010 -13.189 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.329 10.350 -14.473 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.707 11.431 -15.489 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.223 9.468 -15.058 1.00 0.00 C ATOM 0 H LEU A 107 -10.474 11.959 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.818 11.421 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.569 12.052 -13.380 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.919 10.515 -12.844 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.203 9.739 -14.249 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.065 10.960 -16.405 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.493 12.062 -15.074 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.832 12.042 -15.713 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.580 8.997 -15.974 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.349 10.080 -15.282 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.951 8.698 -14.336 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.347 8.786 -11.121 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.587 7.350 -10.801 1.00 0.00 C ATOM 1673 C ALA A 108 -12.932 7.191 -10.086 1.00 0.00 C ATOM 1674 O ALA A 108 -13.813 6.495 -10.552 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.467 6.840 -9.895 1.00 0.00 C ATOM 0 H ALA A 108 -10.472 9.169 -10.763 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.604 6.774 -11.726 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.640 5.790 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.510 6.945 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.452 7.421 -8.973 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.092 7.817 -8.954 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.375 7.688 -8.204 1.00 0.00 C ATOM 1683 C GLU A 109 -15.522 8.284 -9.023 1.00 0.00 C ATOM 1684 O GLU A 109 -16.677 7.986 -8.792 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.262 8.431 -6.872 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.779 7.464 -5.788 1.00 0.00 C ATOM 1687 CD GLU A 109 -14.987 6.831 -5.095 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -15.905 7.563 -4.762 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.973 5.625 -4.909 1.00 0.00 O ATOM 0 H GLU A 109 -12.390 8.413 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.577 6.633 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.567 9.265 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.229 8.852 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.152 6.689 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.165 7.994 -5.060 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.220 9.124 -9.975 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.304 9.732 -10.796 1.00 0.00 C ATOM 1698 C LYS A 110 -16.894 8.674 -11.732 1.00 0.00 C ATOM 1699 O LYS A 110 -18.055 8.726 -12.087 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.736 10.886 -11.624 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.880 11.614 -12.333 1.00 0.00 C ATOM 1702 CD LYS A 110 -17.201 12.910 -11.586 1.00 0.00 C ATOM 1703 CE LYS A 110 -18.485 13.520 -12.151 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.250 14.173 -11.050 1.00 0.00 N ATOM 0 H LYS A 110 -14.273 9.414 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.086 10.110 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.194 11.578 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.023 10.507 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.601 11.835 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.763 10.976 -12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.319 12.709 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.376 13.615 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.244 14.250 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.092 12.746 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.123 14.588 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.491 13.465 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.670 14.922 -10.621 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.106 7.715 -12.136 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.629 6.659 -13.049 1.00 0.00 C ATOM 1720 C PHE A 111 -17.025 5.425 -12.235 1.00 0.00 C ATOM 1721 O PHE A 111 -18.190 5.181 -11.988 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.546 6.279 -14.062 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.567 7.256 -15.212 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.492 7.096 -16.250 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.661 8.323 -15.240 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.510 8.004 -17.317 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.680 9.230 -16.306 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.604 9.070 -17.344 1.00 0.00 C ATOM 0 H PHE A 111 -15.125 7.617 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.504 7.038 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.567 6.286 -13.583 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.715 5.266 -14.428 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.191 6.273 -16.229 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.947 8.446 -14.439 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.223 7.881 -18.119 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.981 10.053 -16.327 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.618 9.770 -18.167 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.067 4.644 -11.816 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.393 3.427 -11.019 1.00 0.00 C ATOM 1740 C ASP A 112 -15.141 2.560 -10.879 1.00 0.00 C ATOM 1741 O ASP A 112 -15.212 1.347 -10.874 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.490 2.628 -11.727 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.847 2.960 -11.103 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.891 3.161 -9.901 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.819 3.007 -11.839 1.00 0.00 O ATOM 0 H ASP A 112 -15.074 4.796 -11.991 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.743 3.725 -10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.499 2.866 -12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.290 1.560 -11.641 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.994 3.171 -10.763 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.741 2.379 -10.621 1.00 0.00 C ATOM 1752 C ILE A 113 -12.010 2.811 -9.349 1.00 0.00 C ATOM 1753 O ILE A 113 -12.394 3.760 -8.694 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.841 2.620 -11.835 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.509 4.110 -11.937 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.568 2.175 -13.105 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.865 4.397 -13.295 1.00 0.00 C ATOM 0 H ILE A 113 -13.871 4.184 -10.760 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.986 1.319 -10.559 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.920 2.048 -11.722 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.415 4.704 -11.819 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.832 4.399 -11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.927 2.346 -13.970 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.807 1.114 -13.035 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.489 2.747 -13.217 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.628 5.458 -13.368 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.950 3.813 -13.394 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.558 4.124 -14.091 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.961 2.123 -8.991 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.212 2.497 -7.759 1.00 0.00 C ATOM 1771 C ILE A 114 -8.769 2.850 -8.123 1.00 0.00 C ATOM 1772 O ILE A 114 -8.187 2.278 -9.023 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.217 1.321 -6.781 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.131 1.538 -5.724 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.936 0.024 -7.541 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.280 0.493 -4.617 1.00 0.00 C ATOM 0 H ILE A 114 -10.591 1.319 -9.498 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.690 3.359 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.191 1.253 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.144 1.462 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.212 2.541 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.940 -0.814 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.706 -0.129 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.961 0.090 -8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.507 0.647 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.262 0.591 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.178 -0.505 -5.043 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.187 3.788 -7.427 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.782 4.180 -7.727 1.00 0.00 C ATOM 1790 C TYR A 115 -5.882 3.755 -6.563 1.00 0.00 C ATOM 1791 O TYR A 115 -5.781 4.438 -5.563 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.709 5.700 -7.918 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.373 6.219 -7.435 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.205 5.921 -8.149 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.304 6.995 -6.272 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -2.969 6.400 -7.699 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.067 7.475 -5.823 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.901 7.177 -6.536 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.683 7.652 -6.093 1.00 0.00 O ATOM 0 H TYR A 115 -8.626 4.301 -6.662 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.446 3.689 -8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.846 5.949 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.516 6.183 -7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.258 5.322 -9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.204 7.224 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.068 6.170 -8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.014 8.075 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.814 8.174 -5.274 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.231 2.631 -6.683 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.343 2.165 -5.582 1.00 0.00 C ATOM 1811 C ASP A 116 -3.055 1.587 -6.173 1.00 0.00 C ATOM 1812 O ASP A 116 -2.908 0.388 -6.303 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.060 1.083 -4.773 1.00 0.00 C ATOM 1814 CG ASP A 116 -5.468 1.648 -3.410 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -5.610 2.856 -3.310 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -5.632 0.864 -2.491 1.00 0.00 O ATOM 0 H ASP A 116 -5.276 2.016 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.100 3.006 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.941 0.735 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.406 0.221 -4.640 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.121 2.426 -6.529 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.846 1.912 -7.107 1.00 0.00 C ATOM 1823 C GLY A 117 -0.114 3.039 -7.840 1.00 0.00 C ATOM 1824 O GLY A 117 -0.167 3.140 -9.050 1.00 0.00 O ATOM 0 H GLY A 117 -2.184 3.441 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.214 1.511 -6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.053 1.093 -7.796 1.00 0.00 H new ATOM 1828 N TRP A 118 0.576 3.882 -7.120 1.00 0.00 N ATOM 1829 CA TRP A 118 1.316 4.995 -7.779 1.00 0.00 C ATOM 1830 C TRP A 118 2.820 4.805 -7.557 1.00 0.00 C ATOM 1831 O TRP A 118 3.302 4.852 -6.442 1.00 0.00 O ATOM 1832 CB TRP A 118 0.861 6.336 -7.184 1.00 0.00 C ATOM 1833 CG TRP A 118 1.776 6.741 -6.070 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.621 6.394 -4.772 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.982 7.558 -6.135 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.654 6.946 -4.035 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.518 7.673 -4.830 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.655 8.204 -7.187 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.680 8.402 -4.579 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.825 8.940 -6.937 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.337 9.038 -5.636 1.00 0.00 C ATOM 0 H TRP A 118 0.659 3.848 -6.104 1.00 0.00 H new ATOM 0 HA TRP A 118 1.109 4.993 -8.849 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.856 7.103 -7.958 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.160 6.250 -6.813 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.822 5.786 -4.375 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.764 6.830 -3.028 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.270 8.134 -8.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.070 8.475 -3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.333 9.433 -7.752 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.238 9.604 -5.451 1.00 0.00 H new ATOM 1852 N GLY A 119 3.565 4.589 -8.606 1.00 0.00 N ATOM 1853 CA GLY A 119 5.035 4.394 -8.445 1.00 0.00 C ATOM 1854 C GLY A 119 5.781 5.247 -9.472 1.00 0.00 C ATOM 1855 O GLY A 119 5.235 5.634 -10.487 1.00 0.00 O ATOM 0 H GLY A 119 3.222 4.539 -9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.341 4.671 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.289 3.342 -8.577 1.00 0.00 H new ATOM 1859 N THR A 120 7.026 5.543 -9.218 1.00 0.00 N ATOM 1860 CA THR A 120 7.808 6.371 -10.180 1.00 0.00 C ATOM 1861 C THR A 120 9.123 5.662 -10.512 1.00 0.00 C ATOM 1862 O THR A 120 9.520 4.725 -9.849 1.00 0.00 O ATOM 1863 CB THR A 120 8.107 7.734 -9.551 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.128 8.382 -10.296 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.570 7.540 -8.107 1.00 0.00 C ATOM 0 H THR A 120 7.536 5.247 -8.386 1.00 0.00 H new ATOM 0 HA THR A 120 7.231 6.511 -11.094 1.00 0.00 H new ATOM 0 HB THR A 120 7.205 8.346 -9.561 1.00 0.00 H new ATOM 0 HG1 THR A 120 8.828 8.510 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.783 8.511 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.786 7.042 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.472 6.929 -8.093 1.00 0.00 H new ATOM 1873 N TYR A 121 9.802 6.102 -11.537 1.00 0.00 N ATOM 1874 CA TYR A 121 11.092 5.452 -11.911 1.00 0.00 C ATOM 1875 C TYR A 121 12.257 6.313 -11.420 1.00 0.00 C ATOM 1876 O TYR A 121 12.227 7.525 -11.507 1.00 0.00 O ATOM 1877 CB TYR A 121 11.167 5.309 -13.435 1.00 0.00 C ATOM 1878 CG TYR A 121 11.378 3.857 -13.799 1.00 0.00 C ATOM 1879 CD1 TYR A 121 10.325 2.945 -13.669 1.00 0.00 C ATOM 1880 CD2 TYR A 121 12.626 3.425 -14.264 1.00 0.00 C ATOM 1881 CE1 TYR A 121 10.519 1.599 -14.005 1.00 0.00 C ATOM 1882 CE2 TYR A 121 12.821 2.080 -14.600 1.00 0.00 C ATOM 1883 CZ TYR A 121 11.767 1.167 -14.470 1.00 0.00 C ATOM 1884 OH TYR A 121 11.958 -0.160 -14.802 1.00 0.00 O ATOM 0 H TYR A 121 9.520 6.882 -12.131 1.00 0.00 H new ATOM 0 HA TYR A 121 11.151 4.466 -11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.248 5.679 -13.891 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.984 5.915 -13.827 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.363 3.279 -13.310 1.00 0.00 H new ATOM 0 HD2 TYR A 121 13.438 4.130 -14.364 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.706 0.895 -13.905 1.00 0.00 H new ATOM 0 HE2 TYR A 121 13.783 1.747 -14.959 1.00 0.00 H new ATOM 0 HH TYR A 121 12.880 -0.291 -15.108 1.00 0.00 H new