USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 78 SER OG : rot 107:sc= 1.23 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.125! C(o=1.1!,f=-8.4!) USER MOD Set 2.1: A 56 MET CE :methyl -177:sc= -0.588 (180deg=-0.758) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -10.9! C(o=-14!,f=-13!) USER MOD Set 3.2: A 62 CYS SG : rot -135:sc= -2.25! USER MOD Single : A 15 THR OG1 : rot 60:sc= -2.27! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-4.8!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.34) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= -2.3! (180deg=-3.81!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 175:sc= -1.13 USER MOD Single : A 40 HIS : no HD1:sc= -0.959! C(o=-0.96!,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.2!) USER MOD Single : A 44 SER OG : rot 104:sc= -0.584! USER MOD Single : A 47 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.3) USER MOD Single : A 48 THR OG1 : rot 59:sc= -0.913 USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= -2.08! (180deg=-4.85!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -5.19! C(o=-12!,f=-5.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.42 X(o=-1.4,f=-0.98) USER MOD Single : A 64 THR OG1 : rot 23:sc= 0.141 USER MOD Single : A 65 ASN :FLIP amide:sc= -1.12 F(o=-5!,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 77 TYR OH : rot -119:sc= -3.36 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 145:sc= -0.296 (180deg=-1.24!) USER MOD Single : A 84 ASN : amide:sc= -1.81 K(o=-1.8,f=-6.9!) USER MOD Single : A 85 ASN :FLIP amide:sc= -1.38! C(o=-7.6!,f=-1.4!) USER MOD Single : A 104 THR OG1 : rot 39:sc= 0.29 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0242 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 -0.073 -2.535 -1.814 1.00 0.00 N ATOM 174 CA VAL A 13 -0.262 -3.841 -2.472 1.00 0.00 C ATOM 175 C VAL A 13 0.510 -3.930 -3.770 1.00 0.00 C ATOM 176 O VAL A 13 0.401 -3.074 -4.625 1.00 0.00 O ATOM 177 CB VAL A 13 -1.757 -3.999 -2.779 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.192 -2.896 -3.745 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.000 -5.361 -3.424 1.00 0.00 C ATOM 0 HA VAL A 13 0.102 -4.626 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.331 -3.925 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.254 -3.004 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.014 -1.922 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.619 -2.975 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.062 -5.476 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.429 -5.432 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.683 -6.149 -2.741 1.00 0.00 H new ATOM 189 N ASP A 14 1.279 -4.973 -3.899 1.00 0.00 N ATOM 190 CA ASP A 14 2.062 -5.142 -5.132 1.00 0.00 C ATOM 191 C ASP A 14 1.207 -5.886 -6.128 1.00 0.00 C ATOM 192 O ASP A 14 0.635 -6.906 -5.801 1.00 0.00 O ATOM 193 CB ASP A 14 3.313 -5.977 -4.816 1.00 0.00 C ATOM 194 CG ASP A 14 4.307 -5.863 -5.974 1.00 0.00 C ATOM 195 OD1 ASP A 14 4.125 -4.943 -6.755 1.00 0.00 O ATOM 196 OD2 ASP A 14 5.192 -6.701 -6.012 1.00 0.00 O ATOM 0 H ASP A 14 1.393 -5.709 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 14 2.361 -4.175 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.773 -5.627 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.038 -7.020 -4.660 1.00 0.00 H new ATOM 201 N THR A 15 1.123 -5.375 -7.322 1.00 0.00 N ATOM 202 CA THR A 15 0.293 -6.063 -8.327 1.00 0.00 C ATOM 203 C THR A 15 0.870 -5.922 -9.735 1.00 0.00 C ATOM 204 O THR A 15 0.547 -5.005 -10.462 1.00 0.00 O ATOM 205 CB THR A 15 -1.096 -5.419 -8.272 1.00 0.00 C ATOM 206 OG1 THR A 15 -0.919 -4.102 -8.756 1.00 0.00 O ATOM 207 CG2 THR A 15 -1.548 -5.232 -6.808 1.00 0.00 C ATOM 0 H THR A 15 1.588 -4.523 -7.636 1.00 0.00 H new ATOM 0 HA THR A 15 0.256 -7.130 -8.105 1.00 0.00 H new ATOM 0 HB THR A 15 -1.811 -6.030 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.580 -4.134 -9.675 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.537 -4.773 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.588 -6.202 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.839 -4.588 -6.288 1.00 0.00 H new ATOM 215 N ALA A 16 1.716 -6.851 -10.084 1.00 0.00 N ATOM 216 CA ALA A 16 2.347 -6.829 -11.432 1.00 0.00 C ATOM 217 C ALA A 16 2.612 -8.259 -11.887 1.00 0.00 C ATOM 218 O ALA A 16 3.626 -8.836 -11.545 1.00 0.00 O ATOM 219 CB ALA A 16 3.685 -6.077 -11.332 1.00 0.00 C ATOM 0 H ALA A 16 1.999 -7.629 -9.489 1.00 0.00 H new ATOM 0 HA ALA A 16 1.688 -6.335 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.162 -6.051 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.505 -5.058 -10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.338 -6.588 -10.624 1.00 0.00 H new ATOM 225 N ILE A 17 1.693 -8.808 -12.652 1.00 0.00 N ATOM 226 CA ILE A 17 1.873 -10.191 -13.132 1.00 0.00 C ATOM 227 C ILE A 17 1.441 -10.370 -14.601 1.00 0.00 C ATOM 228 O ILE A 17 2.205 -10.826 -15.429 1.00 0.00 O ATOM 229 CB ILE A 17 0.991 -11.066 -12.248 1.00 0.00 C ATOM 230 CG1 ILE A 17 -0.419 -10.498 -12.192 1.00 0.00 C ATOM 231 CG2 ILE A 17 1.561 -11.051 -10.819 1.00 0.00 C ATOM 232 CD1 ILE A 17 -1.142 -11.094 -10.991 1.00 0.00 C ATOM 0 H ILE A 17 0.834 -8.349 -12.956 1.00 0.00 H new ATOM 0 HA ILE A 17 2.929 -10.458 -13.081 1.00 0.00 H new ATOM 0 HB ILE A 17 0.968 -12.077 -12.656 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.385 -9.412 -12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.957 -10.732 -13.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.941 -11.673 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.579 -11.441 -10.829 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.568 -10.029 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.155 -10.694 -10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.185 -12.178 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.604 -10.837 -10.078 1.00 0.00 H new ATOM 244 N TYR A 18 0.225 -10.003 -14.883 1.00 0.00 N ATOM 245 CA TYR A 18 -0.305 -10.132 -16.276 1.00 0.00 C ATOM 246 C TYR A 18 -0.016 -8.885 -17.118 1.00 0.00 C ATOM 247 O TYR A 18 -0.428 -8.807 -18.255 1.00 0.00 O ATOM 248 CB TYR A 18 -1.820 -10.341 -16.208 1.00 0.00 C ATOM 249 CG TYR A 18 -2.156 -11.307 -15.077 1.00 0.00 C ATOM 250 CD1 TYR A 18 -1.357 -12.407 -14.827 1.00 0.00 C ATOM 251 CD2 TYR A 18 -3.252 -11.082 -14.274 1.00 0.00 C ATOM 252 CE1 TYR A 18 -1.654 -13.263 -13.787 1.00 0.00 C ATOM 253 CE2 TYR A 18 -3.548 -11.938 -13.234 1.00 0.00 C ATOM 254 CZ TYR A 18 -2.752 -13.035 -12.983 1.00 0.00 C ATOM 255 OH TYR A 18 -3.050 -13.891 -11.944 1.00 0.00 O ATOM 0 H TYR A 18 -0.433 -9.616 -14.207 1.00 0.00 H new ATOM 0 HA TYR A 18 0.191 -10.980 -16.749 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.321 -9.387 -16.045 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.185 -10.735 -17.156 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.495 -12.597 -15.450 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.885 -10.227 -14.460 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.022 -14.119 -13.600 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.410 -11.747 -12.612 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.856 -13.578 -11.483 1.00 0.00 H new ATOM 265 N HIS A 19 0.607 -7.905 -16.497 1.00 0.00 N ATOM 266 CA HIS A 19 0.954 -6.614 -17.205 1.00 0.00 C ATOM 267 C HIS A 19 1.305 -6.771 -18.691 1.00 0.00 C ATOM 268 O HIS A 19 1.447 -5.774 -19.372 1.00 0.00 O ATOM 269 CB HIS A 19 2.162 -5.986 -16.486 1.00 0.00 C ATOM 270 CG HIS A 19 3.326 -6.985 -16.454 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.713 -7.668 -17.428 1.00 0.00 N ATOM 272 CD2 HIS A 19 4.163 -7.329 -15.409 1.00 0.00 C ATOM 273 CE1 HIS A 19 4.700 -8.403 -17.118 1.00 0.00 C ATOM 274 NE2 HIS A 19 5.062 -8.255 -15.844 1.00 0.00 N ATOM 0 H HIS A 19 0.895 -7.941 -15.519 1.00 0.00 H new ATOM 0 HA HIS A 19 0.061 -5.990 -17.167 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.468 -5.074 -16.999 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.885 -5.703 -15.470 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.112 -6.928 -14.408 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.191 -9.073 -17.809 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.814 -8.714 -15.330 1.00 0.00 H new ATOM 282 N HIS A 20 1.467 -7.988 -19.163 1.00 0.00 N ATOM 283 CA HIS A 20 1.803 -8.175 -20.608 1.00 0.00 C ATOM 284 C HIS A 20 1.107 -7.107 -21.456 1.00 0.00 C ATOM 285 O HIS A 20 1.748 -6.208 -21.964 1.00 0.00 O ATOM 286 CB HIS A 20 1.286 -9.557 -21.039 1.00 0.00 C ATOM 287 CG HIS A 20 1.949 -9.960 -22.358 1.00 0.00 C ATOM 288 ND1 HIS A 20 3.135 -9.721 -22.665 1.00 0.00 N ATOM 289 CD2 HIS A 20 1.420 -10.638 -23.442 1.00 0.00 C ATOM 290 CE1 HIS A 20 3.419 -10.169 -23.816 1.00 0.00 C ATOM 291 NE2 HIS A 20 2.382 -10.775 -24.396 1.00 0.00 N ATOM 0 H HIS A 20 1.382 -8.846 -18.617 1.00 0.00 H new ATOM 0 HA HIS A 20 2.881 -8.094 -20.748 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.506 -10.296 -20.268 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.203 -9.532 -21.157 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.406 -11.001 -23.519 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.391 -10.071 -24.276 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.325 -11.222 -25.311 1.00 0.00 H new ATOM 299 N LYS A 21 -0.200 -7.226 -21.596 1.00 0.00 N ATOM 300 CA LYS A 21 -0.940 -6.212 -22.407 1.00 0.00 C ATOM 301 C LYS A 21 -1.563 -5.160 -21.487 1.00 0.00 C ATOM 302 O LYS A 21 -1.103 -4.038 -21.414 1.00 0.00 O ATOM 303 CB LYS A 21 -2.072 -6.925 -23.186 1.00 0.00 C ATOM 304 CG LYS A 21 -1.488 -8.124 -23.936 1.00 0.00 C ATOM 305 CD LYS A 21 -1.273 -7.744 -25.403 1.00 0.00 C ATOM 306 CE LYS A 21 -2.595 -7.889 -26.157 1.00 0.00 C ATOM 307 NZ LYS A 21 -2.493 -7.282 -27.514 1.00 0.00 N ATOM 0 H LYS A 21 -0.770 -7.968 -21.190 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.249 -5.727 -23.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.851 -7.255 -22.499 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.538 -6.234 -23.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.543 -8.426 -23.484 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.163 -8.977 -23.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.909 -6.719 -25.476 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.513 -8.385 -25.850 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.857 -8.943 -26.243 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.395 -7.406 -25.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.400 -7.390 -28.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.264 -6.271 -27.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.743 -7.761 -28.053 1.00 0.00 H new ATOM 321 N LEU A 22 -2.606 -5.556 -20.802 1.00 0.00 N ATOM 322 CA LEU A 22 -3.297 -4.618 -19.868 1.00 0.00 C ATOM 323 C LEU A 22 -4.003 -5.405 -18.775 1.00 0.00 C ATOM 324 O LEU A 22 -4.753 -4.857 -17.986 1.00 0.00 O ATOM 325 CB LEU A 22 -4.338 -3.810 -20.659 1.00 0.00 C ATOM 326 CG LEU A 22 -5.502 -4.723 -21.057 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.517 -3.911 -21.878 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.965 -5.880 -21.905 1.00 0.00 C ATOM 0 H LEU A 22 -3.009 -6.492 -20.850 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.565 -3.950 -19.414 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.704 -2.979 -20.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.879 -3.379 -21.549 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.987 -5.120 -20.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.349 -4.553 -22.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.890 -3.081 -21.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.033 -3.522 -22.774 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.789 -6.534 -22.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.488 -5.483 -22.801 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.236 -6.447 -21.326 1.00 0.00 H new ATOM 340 N ARG A 23 -3.743 -6.682 -18.747 1.00 0.00 N ATOM 341 CA ARG A 23 -4.378 -7.536 -17.729 1.00 0.00 C ATOM 342 C ARG A 23 -3.989 -7.091 -16.334 1.00 0.00 C ATOM 343 O ARG A 23 -4.641 -7.436 -15.370 1.00 0.00 O ATOM 344 CB ARG A 23 -3.911 -8.978 -17.956 1.00 0.00 C ATOM 345 CG ARG A 23 -4.632 -9.559 -19.173 1.00 0.00 C ATOM 346 CD ARG A 23 -4.030 -10.929 -19.502 1.00 0.00 C ATOM 347 NE ARG A 23 -2.649 -10.733 -20.030 1.00 0.00 N ATOM 348 CZ ARG A 23 -1.857 -11.761 -20.149 1.00 0.00 C ATOM 349 NH1 ARG A 23 -1.883 -12.689 -19.232 1.00 0.00 N ATOM 350 NH2 ARG A 23 -1.060 -11.825 -21.178 1.00 0.00 N ATOM 0 H ARG A 23 -3.115 -7.164 -19.390 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.462 -7.463 -17.818 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.833 -9.002 -18.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.119 -9.583 -17.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.698 -9.656 -18.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.531 -8.888 -20.026 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.008 -11.555 -18.610 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.646 -11.445 -20.239 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.327 -9.802 -20.296 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.517 -12.603 -18.437 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.270 -13.500 -19.310 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.063 -11.078 -21.873 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.433 -12.622 -21.288 1.00 0.00 H new ATOM 364 N ASP A 24 -2.925 -6.340 -16.237 1.00 0.00 N ATOM 365 CA ASP A 24 -2.513 -5.883 -14.902 1.00 0.00 C ATOM 366 C ASP A 24 -3.358 -4.707 -14.500 1.00 0.00 C ATOM 367 O ASP A 24 -4.071 -4.756 -13.524 1.00 0.00 O ATOM 368 CB ASP A 24 -1.041 -5.451 -14.929 1.00 0.00 C ATOM 369 CG ASP A 24 -0.664 -4.844 -13.576 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.794 -5.568 -12.603 1.00 0.00 O ATOM 371 OD2 ASP A 24 -0.264 -3.692 -13.592 1.00 0.00 O ATOM 0 H ASP A 24 -2.340 -6.034 -17.015 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.639 -6.698 -14.190 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.403 -6.308 -15.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.879 -4.723 -15.724 1.00 0.00 H new ATOM 376 N GLN A 25 -3.286 -3.677 -15.288 1.00 0.00 N ATOM 377 CA GLN A 25 -4.073 -2.475 -14.989 1.00 0.00 C ATOM 378 C GLN A 25 -5.482 -2.879 -14.723 1.00 0.00 C ATOM 379 O GLN A 25 -6.249 -2.150 -14.123 1.00 0.00 O ATOM 380 CB GLN A 25 -4.033 -1.566 -16.228 1.00 0.00 C ATOM 381 CG GLN A 25 -2.751 -1.844 -17.005 1.00 0.00 C ATOM 382 CD GLN A 25 -2.296 -0.562 -17.706 1.00 0.00 C ATOM 383 OE1 GLN A 25 -1.639 0.279 -17.123 1.00 0.00 O ATOM 384 NE2 GLN A 25 -2.621 -0.373 -18.956 1.00 0.00 N ATOM 0 H GLN A 25 -2.711 -3.624 -16.129 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.672 -1.953 -14.120 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.903 -1.750 -16.858 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.072 -0.519 -15.928 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.972 -2.199 -16.330 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.920 -2.633 -17.738 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.172 -1.074 -19.451 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.324 0.476 -19.437 1.00 0.00 H new ATOM 393 N VAL A 26 -5.806 -4.044 -15.176 1.00 0.00 N ATOM 394 CA VAL A 26 -7.155 -4.535 -14.969 1.00 0.00 C ATOM 395 C VAL A 26 -7.306 -5.080 -13.562 1.00 0.00 C ATOM 396 O VAL A 26 -8.100 -4.585 -12.789 1.00 0.00 O ATOM 397 CB VAL A 26 -7.422 -5.645 -15.998 1.00 0.00 C ATOM 398 CG1 VAL A 26 -8.609 -6.483 -15.546 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.736 -5.004 -17.350 1.00 0.00 C ATOM 0 H VAL A 26 -5.182 -4.672 -15.682 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.872 -3.724 -15.095 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.544 -6.284 -16.087 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.798 -7.270 -16.276 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.390 -6.932 -14.577 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.491 -5.848 -15.460 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.927 -5.784 -18.087 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.618 -4.370 -17.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.888 -4.400 -17.672 1.00 0.00 H new ATOM 409 N LEU A 27 -6.534 -6.078 -13.242 1.00 0.00 N ATOM 410 CA LEU A 27 -6.637 -6.647 -11.882 1.00 0.00 C ATOM 411 C LEU A 27 -6.247 -5.596 -10.848 1.00 0.00 C ATOM 412 O LEU A 27 -6.498 -5.752 -9.664 1.00 0.00 O ATOM 413 CB LEU A 27 -5.703 -7.880 -11.782 1.00 0.00 C ATOM 414 CG LEU A 27 -4.252 -7.447 -11.528 1.00 0.00 C ATOM 415 CD1 LEU A 27 -3.894 -7.706 -10.063 1.00 0.00 C ATOM 416 CD2 LEU A 27 -3.324 -8.290 -12.399 1.00 0.00 C ATOM 0 H LEU A 27 -5.847 -6.516 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.664 -6.955 -11.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.039 -8.532 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.758 -8.459 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.143 -6.388 -11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.864 -7.399 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.562 -7.135 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.000 -8.769 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.290 -7.990 -12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.444 -9.343 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.574 -8.140 -13.449 1.00 0.00 H new ATOM 428 N LYS A 28 -5.662 -4.515 -11.323 1.00 0.00 N ATOM 429 CA LYS A 28 -5.250 -3.437 -10.384 1.00 0.00 C ATOM 430 C LYS A 28 -6.383 -2.459 -10.231 1.00 0.00 C ATOM 431 O LYS A 28 -6.689 -2.022 -9.142 1.00 0.00 O ATOM 432 CB LYS A 28 -4.026 -2.687 -10.980 1.00 0.00 C ATOM 433 CG LYS A 28 -2.801 -2.795 -10.047 1.00 0.00 C ATOM 434 CD LYS A 28 -2.328 -1.388 -9.686 1.00 0.00 C ATOM 435 CE LYS A 28 -1.634 -0.767 -10.899 1.00 0.00 C ATOM 436 NZ LYS A 28 -2.639 -0.236 -11.862 1.00 0.00 N ATOM 0 H LYS A 28 -5.458 -4.342 -12.307 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.993 -3.869 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.781 -3.103 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.278 -1.638 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.062 -3.348 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.000 -3.347 -10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.175 -0.773 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.642 -1.427 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.973 0.037 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.011 -1.514 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.230 0.565 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.907 -0.985 -12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.482 0.082 -11.343 1.00 0.00 H new ATOM 450 N ALA A 29 -6.991 -2.127 -11.329 1.00 0.00 N ATOM 451 CA ALA A 29 -8.110 -1.179 -11.262 1.00 0.00 C ATOM 452 C ALA A 29 -9.280 -1.851 -10.588 1.00 0.00 C ATOM 453 O ALA A 29 -10.171 -1.211 -10.110 1.00 0.00 O ATOM 454 CB ALA A 29 -8.513 -0.785 -12.690 1.00 0.00 C ATOM 0 H ALA A 29 -6.758 -2.472 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.817 -0.292 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.344 -0.081 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.665 -0.319 -13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.817 -1.675 -13.241 1.00 0.00 H new ATOM 460 N LEU A 30 -9.233 -3.148 -10.548 1.00 0.00 N ATOM 461 CA LEU A 30 -10.329 -3.894 -9.912 1.00 0.00 C ATOM 462 C LEU A 30 -10.163 -3.899 -8.422 1.00 0.00 C ATOM 463 O LEU A 30 -11.076 -3.571 -7.685 1.00 0.00 O ATOM 464 CB LEU A 30 -10.274 -5.343 -10.402 1.00 0.00 C ATOM 465 CG LEU A 30 -10.847 -5.426 -11.809 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.331 -6.698 -12.475 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.370 -5.484 -11.732 1.00 0.00 C ATOM 0 H LEU A 30 -8.479 -3.719 -10.931 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.278 -3.423 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.245 -5.701 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.840 -5.987 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.544 -4.552 -12.385 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.735 -6.769 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.242 -6.669 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.647 -7.566 -11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.783 -5.543 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.672 -6.363 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.744 -4.587 -11.239 1.00 0.00 H new ATOM 479 N TYR A 31 -8.999 -4.258 -7.991 1.00 0.00 N ATOM 480 CA TYR A 31 -8.766 -4.289 -6.551 1.00 0.00 C ATOM 481 C TYR A 31 -8.638 -2.893 -5.961 1.00 0.00 C ATOM 482 O TYR A 31 -9.099 -2.646 -4.872 1.00 0.00 O ATOM 483 CB TYR A 31 -7.467 -5.059 -6.281 1.00 0.00 C ATOM 484 CG TYR A 31 -6.951 -4.701 -4.888 1.00 0.00 C ATOM 485 CD1 TYR A 31 -6.364 -3.472 -4.651 1.00 0.00 C ATOM 486 CD2 TYR A 31 -7.066 -5.597 -3.848 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.903 -3.147 -3.397 1.00 0.00 C ATOM 488 CE2 TYR A 31 -6.603 -5.271 -2.591 1.00 0.00 C ATOM 489 CZ TYR A 31 -6.017 -4.044 -2.355 1.00 0.00 C ATOM 490 OH TYR A 31 -5.552 -3.719 -1.098 1.00 0.00 O ATOM 0 H TYR A 31 -8.208 -4.528 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.622 -4.774 -6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.645 -6.132 -6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.719 -4.810 -7.034 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.267 -2.761 -5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.522 -6.561 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.448 -2.182 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.700 -5.982 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.715 -4.467 -0.486 1.00 0.00 H new ATOM 500 N ASP A 32 -8.029 -2.001 -6.685 1.00 0.00 N ATOM 501 CA ASP A 32 -7.875 -0.623 -6.148 1.00 0.00 C ATOM 502 C ASP A 32 -9.156 0.202 -6.255 1.00 0.00 C ATOM 503 O ASP A 32 -9.319 1.162 -5.529 1.00 0.00 O ATOM 504 CB ASP A 32 -6.757 0.086 -6.928 1.00 0.00 C ATOM 505 CG ASP A 32 -6.715 1.561 -6.520 1.00 0.00 C ATOM 506 OD1 ASP A 32 -6.001 1.841 -5.570 1.00 0.00 O ATOM 507 OD2 ASP A 32 -7.398 2.325 -7.182 1.00 0.00 O ATOM 0 H ASP A 32 -7.636 -2.161 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.633 -0.707 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.797 -0.388 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.933 -0.002 -8.000 1.00 0.00 H new ATOM 512 N VAL A 33 -10.046 -0.160 -7.143 1.00 0.00 N ATOM 513 CA VAL A 33 -11.290 0.642 -7.244 1.00 0.00 C ATOM 514 C VAL A 33 -12.281 0.218 -6.190 1.00 0.00 C ATOM 515 O VAL A 33 -12.971 1.034 -5.634 1.00 0.00 O ATOM 516 CB VAL A 33 -11.928 0.441 -8.617 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.337 1.030 -8.594 1.00 0.00 C ATOM 518 CG2 VAL A 33 -11.094 1.174 -9.671 1.00 0.00 C ATOM 0 H VAL A 33 -9.967 -0.951 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.030 1.691 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.971 -0.621 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.804 0.893 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.931 0.524 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.283 2.094 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.545 1.034 -10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.062 2.238 -9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.080 0.773 -9.676 1.00 0.00 H new ATOM 528 N LEU A 34 -12.350 -1.052 -5.932 1.00 0.00 N ATOM 529 CA LEU A 34 -13.307 -1.507 -4.906 1.00 0.00 C ATOM 530 C LEU A 34 -12.707 -1.397 -3.512 1.00 0.00 C ATOM 531 O LEU A 34 -13.393 -1.069 -2.568 1.00 0.00 O ATOM 532 CB LEU A 34 -13.665 -2.970 -5.172 1.00 0.00 C ATOM 533 CG LEU A 34 -14.011 -3.141 -6.646 1.00 0.00 C ATOM 534 CD1 LEU A 34 -14.151 -4.636 -6.951 1.00 0.00 C ATOM 535 CD2 LEU A 34 -15.339 -2.431 -6.936 1.00 0.00 C ATOM 0 H LEU A 34 -11.795 -1.781 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.194 -0.876 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.828 -3.616 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -14.509 -3.269 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.226 -2.711 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.399 -4.771 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.211 -5.142 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.943 -5.060 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.592 -2.550 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.127 -2.868 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.243 -1.371 -6.703 1.00 0.00 H new ATOM 547 N ALA A 35 -11.435 -1.671 -3.406 1.00 0.00 N ATOM 548 CA ALA A 35 -10.787 -1.583 -2.076 1.00 0.00 C ATOM 549 C ALA A 35 -10.766 -0.150 -1.551 1.00 0.00 C ATOM 550 O ALA A 35 -11.452 0.179 -0.606 1.00 0.00 O ATOM 551 CB ALA A 35 -9.338 -2.075 -2.207 1.00 0.00 C ATOM 0 H ALA A 35 -10.826 -1.949 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.356 -2.195 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.845 -2.017 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.335 -3.108 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.805 -1.449 -2.923 1.00 0.00 H new ATOM 557 N LYS A 36 -9.976 0.674 -2.177 1.00 0.00 N ATOM 558 CA LYS A 36 -9.889 2.091 -1.731 1.00 0.00 C ATOM 559 C LYS A 36 -11.266 2.709 -1.503 1.00 0.00 C ATOM 560 O LYS A 36 -11.629 3.007 -0.383 1.00 0.00 O ATOM 561 CB LYS A 36 -9.163 2.894 -2.818 1.00 0.00 C ATOM 562 CG LYS A 36 -8.707 4.231 -2.228 1.00 0.00 C ATOM 563 CD LYS A 36 -8.785 5.311 -3.309 1.00 0.00 C ATOM 564 CE LYS A 36 -10.126 6.041 -3.196 1.00 0.00 C ATOM 565 NZ LYS A 36 -10.519 6.613 -4.513 1.00 0.00 N ATOM 0 H LYS A 36 -9.389 0.430 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.351 2.117 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.305 2.334 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.825 3.063 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.337 4.502 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.687 4.148 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.962 6.017 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.684 4.861 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.895 5.351 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.053 6.836 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.431 7.105 -4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.793 7.287 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.609 5.847 -5.211 1.00 0.00 H new ATOM 579 N GLU A 37 -12.000 2.896 -2.568 1.00 0.00 N ATOM 580 CA GLU A 37 -13.362 3.498 -2.434 1.00 0.00 C ATOM 581 C GLU A 37 -14.079 2.997 -1.189 1.00 0.00 C ATOM 582 O GLU A 37 -14.619 3.776 -0.429 1.00 0.00 O ATOM 583 CB GLU A 37 -14.197 3.109 -3.661 1.00 0.00 C ATOM 584 CG GLU A 37 -13.732 3.926 -4.870 1.00 0.00 C ATOM 585 CD GLU A 37 -14.933 4.226 -5.768 1.00 0.00 C ATOM 586 OE1 GLU A 37 -15.572 3.262 -6.160 1.00 0.00 O ATOM 587 OE2 GLU A 37 -15.144 5.402 -6.013 1.00 0.00 O ATOM 0 H GLU A 37 -11.719 2.660 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.247 4.579 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.090 2.044 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.254 3.292 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.269 4.856 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.975 3.374 -5.427 1.00 0.00 H new ATOM 594 N SER A 38 -14.075 1.711 -0.998 1.00 0.00 N ATOM 595 CA SER A 38 -14.756 1.160 0.195 1.00 0.00 C ATOM 596 C SER A 38 -14.087 -0.136 0.673 1.00 0.00 C ATOM 597 O SER A 38 -13.860 -1.050 -0.092 1.00 0.00 O ATOM 598 CB SER A 38 -16.217 0.886 -0.186 1.00 0.00 C ATOM 599 OG SER A 38 -16.125 0.171 -1.408 1.00 0.00 O ATOM 0 H SER A 38 -13.634 1.025 -1.611 1.00 0.00 H new ATOM 0 HA SER A 38 -14.694 1.877 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.727 0.302 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.778 1.812 -0.307 1.00 0.00 H new ATOM 0 HG SER A 38 -17.019 -0.118 -1.686 1.00 0.00 H new ATOM 605 N GLU A 39 -13.792 -0.172 1.945 1.00 0.00 N ATOM 606 CA GLU A 39 -13.135 -1.372 2.545 1.00 0.00 C ATOM 607 C GLU A 39 -14.165 -2.386 3.046 1.00 0.00 C ATOM 608 O GLU A 39 -13.815 -3.458 3.498 1.00 0.00 O ATOM 609 CB GLU A 39 -12.281 -0.910 3.739 1.00 0.00 C ATOM 610 CG GLU A 39 -11.864 0.549 3.527 1.00 0.00 C ATOM 611 CD GLU A 39 -11.039 1.022 4.727 1.00 0.00 C ATOM 612 OE1 GLU A 39 -10.749 0.174 5.554 1.00 0.00 O ATOM 613 OE2 GLU A 39 -10.745 2.207 4.748 1.00 0.00 O ATOM 0 H GLU A 39 -13.980 0.586 2.601 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.526 -1.853 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.847 -1.008 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.398 -1.542 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.281 0.642 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.747 1.177 3.408 1.00 0.00 H new ATOM 620 N HIS A 40 -15.418 -2.023 2.955 1.00 0.00 N ATOM 621 CA HIS A 40 -16.494 -2.948 3.426 1.00 0.00 C ATOM 622 C HIS A 40 -17.120 -3.885 2.337 1.00 0.00 C ATOM 623 O HIS A 40 -17.883 -4.759 2.682 1.00 0.00 O ATOM 624 CB HIS A 40 -17.624 -2.084 4.003 1.00 0.00 C ATOM 625 CG HIS A 40 -17.035 -1.064 4.978 1.00 0.00 C ATOM 626 ND1 HIS A 40 -15.868 -1.091 5.419 1.00 0.00 N ATOM 627 CD2 HIS A 40 -17.623 0.043 5.561 1.00 0.00 C ATOM 628 CE1 HIS A 40 -15.650 -0.129 6.216 1.00 0.00 C ATOM 629 NE2 HIS A 40 -16.717 0.654 6.371 1.00 0.00 N ATOM 0 H HIS A 40 -15.742 -1.133 2.578 1.00 0.00 H new ATOM 0 HA HIS A 40 -16.020 -3.613 4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -18.152 -1.572 3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -18.353 -2.713 4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -18.639 0.370 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.706 0.037 6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.826 1.490 6.945 1.00 0.00 H new ATOM 637 N PRO A 41 -16.791 -3.710 1.056 1.00 0.00 N ATOM 638 CA PRO A 41 -17.367 -4.569 0.006 1.00 0.00 C ATOM 639 C PRO A 41 -17.144 -6.075 0.289 1.00 0.00 C ATOM 640 O PRO A 41 -16.024 -6.548 0.274 1.00 0.00 O ATOM 641 CB PRO A 41 -16.612 -4.179 -1.273 1.00 0.00 C ATOM 642 CG PRO A 41 -15.782 -2.911 -0.946 1.00 0.00 C ATOM 643 CD PRO A 41 -15.810 -2.736 0.581 1.00 0.00 C ATOM 0 HA PRO A 41 -18.446 -4.426 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.962 -4.991 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.310 -3.983 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.758 -3.018 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -16.203 -2.036 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.828 -2.920 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.096 -1.721 0.857 1.00 0.00 H new ATOM 651 N PRO A 42 -18.232 -6.805 0.546 1.00 0.00 N ATOM 652 CA PRO A 42 -18.147 -8.244 0.828 1.00 0.00 C ATOM 653 C PRO A 42 -17.804 -9.050 -0.426 1.00 0.00 C ATOM 654 O PRO A 42 -17.219 -10.112 -0.351 1.00 0.00 O ATOM 655 CB PRO A 42 -19.572 -8.634 1.278 1.00 0.00 C ATOM 656 CG PRO A 42 -20.486 -7.387 1.089 1.00 0.00 C ATOM 657 CD PRO A 42 -19.595 -6.239 0.603 1.00 0.00 C ATOM 0 HA PRO A 42 -17.372 -8.449 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.943 -9.473 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.570 -8.952 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -21.274 -7.594 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.975 -7.123 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -19.914 -5.880 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -19.641 -5.389 1.284 1.00 0.00 H new ATOM 665 N GLN A 43 -18.182 -8.521 -1.544 1.00 0.00 N ATOM 666 CA GLN A 43 -17.915 -9.203 -2.830 1.00 0.00 C ATOM 667 C GLN A 43 -16.558 -9.926 -2.866 1.00 0.00 C ATOM 668 O GLN A 43 -16.380 -10.820 -3.663 1.00 0.00 O ATOM 669 CB GLN A 43 -17.963 -8.133 -3.910 1.00 0.00 C ATOM 670 CG GLN A 43 -18.924 -7.035 -3.440 1.00 0.00 C ATOM 671 CD GLN A 43 -19.568 -6.368 -4.654 1.00 0.00 C ATOM 672 OE1 GLN A 43 -19.019 -6.356 -5.737 1.00 0.00 O ATOM 673 NE2 GLN A 43 -20.738 -5.805 -4.516 1.00 0.00 N ATOM 0 H GLN A 43 -18.673 -7.630 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 43 -18.665 -9.979 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.969 -7.721 -4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.302 -8.559 -4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -19.693 -7.461 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -18.386 -6.295 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -21.204 -5.812 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -21.186 -5.358 -5.316 1.00 0.00 H new ATOM 682 N SER A 44 -15.619 -9.507 -2.027 1.00 0.00 N ATOM 683 CA SER A 44 -14.278 -10.168 -2.009 1.00 0.00 C ATOM 684 C SER A 44 -13.417 -9.593 -3.093 1.00 0.00 C ATOM 685 O SER A 44 -13.139 -10.218 -4.081 1.00 0.00 O ATOM 686 CB SER A 44 -14.441 -11.694 -2.205 1.00 0.00 C ATOM 687 OG SER A 44 -15.717 -11.980 -1.647 1.00 0.00 O ATOM 0 H SER A 44 -15.733 -8.741 -1.363 1.00 0.00 H new ATOM 0 HA SER A 44 -13.800 -9.989 -1.046 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.396 -11.968 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.651 -12.248 -1.698 1.00 0.00 H new ATOM 0 HG SER A 44 -16.366 -12.117 -2.368 1.00 0.00 H new ATOM 693 N ILE A 45 -13.009 -8.394 -2.871 1.00 0.00 N ATOM 694 CA ILE A 45 -12.163 -7.715 -3.852 1.00 0.00 C ATOM 695 C ILE A 45 -10.982 -8.565 -4.263 1.00 0.00 C ATOM 696 O ILE A 45 -10.664 -8.669 -5.431 1.00 0.00 O ATOM 697 CB ILE A 45 -11.630 -6.450 -3.209 1.00 0.00 C ATOM 698 CG1 ILE A 45 -12.769 -5.581 -2.692 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.874 -5.685 -4.266 1.00 0.00 C ATOM 700 CD1 ILE A 45 -13.991 -5.745 -3.594 1.00 0.00 C ATOM 0 H ILE A 45 -13.230 -7.849 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.761 -7.508 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.989 -6.711 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.019 -5.863 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.460 -4.536 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.476 -4.766 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.053 -6.296 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.546 -5.439 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.804 -5.122 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.737 -5.441 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -14.305 -6.789 -3.595 1.00 0.00 H new ATOM 712 N LEU A 46 -10.352 -9.158 -3.309 1.00 0.00 N ATOM 713 CA LEU A 46 -9.185 -10.005 -3.641 1.00 0.00 C ATOM 714 C LEU A 46 -9.616 -11.224 -4.438 1.00 0.00 C ATOM 715 O LEU A 46 -9.084 -11.508 -5.498 1.00 0.00 O ATOM 716 CB LEU A 46 -8.534 -10.468 -2.326 1.00 0.00 C ATOM 717 CG LEU A 46 -7.011 -10.405 -2.467 1.00 0.00 C ATOM 718 CD1 LEU A 46 -6.576 -11.313 -3.617 1.00 0.00 C ATOM 719 CD2 LEU A 46 -6.588 -8.964 -2.774 1.00 0.00 C ATOM 0 H LEU A 46 -10.588 -9.098 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.481 -9.429 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.861 -9.834 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.847 -11.485 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.543 -10.734 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.492 -11.272 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.882 -12.338 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.043 -10.977 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.504 -8.917 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.053 -8.639 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.906 -8.311 -1.961 1.00 0.00 H new ATOM 731 N HIS A 47 -10.589 -11.908 -3.926 1.00 0.00 N ATOM 732 CA HIS A 47 -11.085 -13.116 -4.619 1.00 0.00 C ATOM 733 C HIS A 47 -11.968 -12.770 -5.810 1.00 0.00 C ATOM 734 O HIS A 47 -12.306 -13.631 -6.597 1.00 0.00 O ATOM 735 CB HIS A 47 -11.914 -13.916 -3.606 1.00 0.00 C ATOM 736 CG HIS A 47 -11.967 -15.383 -4.033 1.00 0.00 C ATOM 737 ND1 HIS A 47 -10.983 -16.055 -4.411 1.00 0.00 N ATOM 738 CD2 HIS A 47 -13.046 -16.241 -4.099 1.00 0.00 C ATOM 739 CE1 HIS A 47 -11.318 -17.241 -4.710 1.00 0.00 C ATOM 740 NE2 HIS A 47 -12.623 -17.457 -4.540 1.00 0.00 N ATOM 0 H HIS A 47 -11.065 -11.681 -3.053 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.234 -13.683 -4.995 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.474 -13.831 -2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.923 -13.508 -3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.064 -15.988 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.625 -17.991 -5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.162 -18.309 -4.699 1.00 0.00 H new ATOM 748 N THR A 48 -12.320 -11.527 -5.926 1.00 0.00 N ATOM 749 CA THR A 48 -13.182 -11.118 -7.062 1.00 0.00 C ATOM 750 C THR A 48 -12.331 -10.595 -8.199 1.00 0.00 C ATOM 751 O THR A 48 -12.407 -11.078 -9.312 1.00 0.00 O ATOM 752 CB THR A 48 -14.122 -10.000 -6.586 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.956 -10.600 -5.618 1.00 0.00 O ATOM 754 CG2 THR A 48 -15.084 -9.576 -7.706 1.00 0.00 C ATOM 0 H THR A 48 -12.051 -10.779 -5.288 1.00 0.00 H new ATOM 0 HA THR A 48 -13.755 -11.977 -7.411 1.00 0.00 H new ATOM 0 HB THR A 48 -13.534 -9.149 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.407 -10.956 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.738 -8.784 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.511 -9.212 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.686 -10.432 -8.012 1.00 0.00 H new ATOM 762 N ALA A 49 -11.530 -9.623 -7.900 1.00 0.00 N ATOM 763 CA ALA A 49 -10.665 -9.054 -8.947 1.00 0.00 C ATOM 764 C ALA A 49 -9.687 -10.100 -9.470 1.00 0.00 C ATOM 765 O ALA A 49 -9.169 -9.970 -10.562 1.00 0.00 O ATOM 766 CB ALA A 49 -9.869 -7.891 -8.338 1.00 0.00 C ATOM 0 H ALA A 49 -11.439 -9.200 -6.976 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.285 -8.713 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.221 -7.456 -9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.559 -7.131 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.261 -8.259 -7.512 1.00 0.00 H new ATOM 772 N LYS A 50 -9.443 -11.127 -8.685 1.00 0.00 N ATOM 773 CA LYS A 50 -8.496 -12.174 -9.152 1.00 0.00 C ATOM 774 C LYS A 50 -9.127 -13.111 -10.184 1.00 0.00 C ATOM 775 O LYS A 50 -8.451 -13.591 -11.073 1.00 0.00 O ATOM 776 CB LYS A 50 -8.075 -13.017 -7.944 1.00 0.00 C ATOM 777 CG LYS A 50 -6.870 -12.359 -7.267 1.00 0.00 C ATOM 778 CD LYS A 50 -6.422 -13.219 -6.083 1.00 0.00 C ATOM 779 CE LYS A 50 -5.724 -14.472 -6.609 1.00 0.00 C ATOM 780 NZ LYS A 50 -6.723 -15.511 -6.980 1.00 0.00 N ATOM 0 H LYS A 50 -9.852 -11.277 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.649 -11.673 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.902 -13.102 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.821 -14.028 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.053 -12.248 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.132 -11.358 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.746 -12.653 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.282 -13.496 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.115 -14.219 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.048 -14.864 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.489 -16.404 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.672 -15.200 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.707 -15.656 -8.010 1.00 0.00 H new ATOM 794 N ALA A 51 -10.406 -13.352 -10.055 1.00 0.00 N ATOM 795 CA ALA A 51 -11.078 -14.264 -11.029 1.00 0.00 C ATOM 796 C ALA A 51 -11.768 -13.522 -12.188 1.00 0.00 C ATOM 797 O ALA A 51 -12.043 -14.113 -13.214 1.00 0.00 O ATOM 798 CB ALA A 51 -12.144 -15.061 -10.264 1.00 0.00 C ATOM 0 H ALA A 51 -11.007 -12.963 -9.329 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.310 -14.900 -11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.654 -15.738 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.668 -15.638 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.868 -14.374 -9.827 1.00 0.00 H new ATOM 804 N ILE A 52 -12.034 -12.257 -12.017 1.00 0.00 N ATOM 805 CA ILE A 52 -12.709 -11.501 -13.120 1.00 0.00 C ATOM 806 C ILE A 52 -11.709 -10.944 -14.136 1.00 0.00 C ATOM 807 O ILE A 52 -12.066 -10.658 -15.261 1.00 0.00 O ATOM 808 CB ILE A 52 -13.491 -10.337 -12.489 1.00 0.00 C ATOM 809 CG1 ILE A 52 -14.892 -10.801 -12.124 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.617 -9.191 -13.512 1.00 0.00 C ATOM 811 CD1 ILE A 52 -14.821 -11.669 -10.871 1.00 0.00 C ATOM 0 H ILE A 52 -11.820 -11.717 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.369 -12.184 -13.655 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.963 -9.997 -11.598 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.539 -9.941 -11.950 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.328 -11.366 -12.948 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.171 -8.365 -13.066 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.623 -8.848 -13.799 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.146 -9.548 -14.395 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.823 -12.005 -10.604 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.187 -12.535 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.402 -11.088 -10.049 1.00 0.00 H new ATOM 823 N GLU A 53 -10.489 -10.801 -13.730 1.00 0.00 N ATOM 824 CA GLU A 53 -9.464 -10.261 -14.675 1.00 0.00 C ATOM 825 C GLU A 53 -9.279 -11.174 -15.891 1.00 0.00 C ATOM 826 O GLU A 53 -8.828 -10.740 -16.933 1.00 0.00 O ATOM 827 CB GLU A 53 -8.124 -10.161 -13.923 1.00 0.00 C ATOM 828 CG GLU A 53 -6.976 -10.078 -14.936 1.00 0.00 C ATOM 829 CD GLU A 53 -6.641 -11.485 -15.440 1.00 0.00 C ATOM 830 OE1 GLU A 53 -6.754 -12.392 -14.630 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.292 -11.573 -16.605 1.00 0.00 O ATOM 0 H GLU A 53 -10.150 -11.029 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.798 -9.287 -15.032 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.120 -9.281 -13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.991 -11.029 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.259 -9.438 -15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.099 -9.627 -14.472 1.00 0.00 H new ATOM 838 N SER A 54 -9.643 -12.414 -15.742 1.00 0.00 N ATOM 839 CA SER A 54 -9.491 -13.366 -16.879 1.00 0.00 C ATOM 840 C SER A 54 -10.775 -13.498 -17.701 1.00 0.00 C ATOM 841 O SER A 54 -10.776 -14.122 -18.743 1.00 0.00 O ATOM 842 CB SER A 54 -9.141 -14.746 -16.302 1.00 0.00 C ATOM 843 OG SER A 54 -10.349 -15.189 -15.703 1.00 0.00 O ATOM 0 H SER A 54 -10.037 -12.810 -14.889 1.00 0.00 H new ATOM 0 HA SER A 54 -8.710 -12.987 -17.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.808 -15.431 -17.082 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.335 -14.679 -15.571 1.00 0.00 H new ATOM 0 HG SER A 54 -10.212 -16.075 -15.307 1.00 0.00 H new ATOM 849 N GLU A 55 -11.845 -12.917 -17.223 1.00 0.00 N ATOM 850 CA GLU A 55 -13.122 -13.019 -17.983 1.00 0.00 C ATOM 851 C GLU A 55 -13.344 -11.846 -18.935 1.00 0.00 C ATOM 852 O GLU A 55 -13.274 -12.002 -20.137 1.00 0.00 O ATOM 853 CB GLU A 55 -14.276 -13.052 -16.970 1.00 0.00 C ATOM 854 CG GLU A 55 -15.525 -13.606 -17.653 1.00 0.00 C ATOM 855 CD GLU A 55 -15.317 -15.091 -17.959 1.00 0.00 C ATOM 856 OE1 GLU A 55 -14.949 -15.789 -17.028 1.00 0.00 O ATOM 857 OE2 GLU A 55 -15.537 -15.443 -19.106 1.00 0.00 O ATOM 0 H GLU A 55 -11.889 -12.385 -16.354 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.078 -13.924 -18.589 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.008 -13.673 -16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.470 -12.050 -16.588 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.395 -13.474 -17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.724 -13.057 -18.574 1.00 0.00 H new ATOM 864 N MET A 56 -13.605 -10.699 -18.388 1.00 0.00 N ATOM 865 CA MET A 56 -13.836 -9.516 -19.255 1.00 0.00 C ATOM 866 C MET A 56 -12.694 -9.304 -20.238 1.00 0.00 C ATOM 867 O MET A 56 -12.803 -8.499 -21.141 1.00 0.00 O ATOM 868 CB MET A 56 -13.949 -8.277 -18.359 1.00 0.00 C ATOM 869 CG MET A 56 -13.037 -8.452 -17.149 1.00 0.00 C ATOM 870 SD MET A 56 -12.725 -6.996 -16.128 1.00 0.00 S ATOM 871 CE MET A 56 -11.506 -6.231 -17.217 1.00 0.00 C ATOM 0 H MET A 56 -13.669 -10.528 -17.385 1.00 0.00 H new ATOM 0 HA MET A 56 -14.749 -9.681 -19.828 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.668 -7.383 -18.916 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.981 -8.140 -18.036 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.467 -9.225 -16.512 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.077 -8.828 -17.502 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.124 -5.321 -16.754 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.683 -6.925 -17.386 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.974 -5.984 -18.170 1.00 0.00 H new ATOM 881 N ASN A 57 -11.618 -10.028 -20.053 1.00 0.00 N ATOM 882 CA ASN A 57 -10.465 -9.861 -20.986 1.00 0.00 C ATOM 883 C ASN A 57 -10.478 -10.914 -22.091 1.00 0.00 C ATOM 884 O ASN A 57 -10.087 -10.639 -23.206 1.00 0.00 O ATOM 885 CB ASN A 57 -9.162 -9.982 -20.181 1.00 0.00 C ATOM 886 CG ASN A 57 -8.707 -11.441 -20.151 1.00 0.00 C ATOM 887 OD1 ASN A 57 -9.575 -12.365 -19.866 1.00 0.00 O flip ATOM 888 ND2 ASN A 57 -7.556 -11.749 -20.391 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.490 -10.715 -19.310 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.540 -8.882 -21.459 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.388 -9.359 -20.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.316 -9.618 -19.165 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.871 -11.027 -20.615 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.275 -12.729 -20.368 1.00 0.00 H new ATOM 895 N LYS A 58 -10.923 -12.104 -21.759 1.00 0.00 N ATOM 896 CA LYS A 58 -10.964 -13.182 -22.790 1.00 0.00 C ATOM 897 C LYS A 58 -11.456 -12.631 -24.120 1.00 0.00 C ATOM 898 O LYS A 58 -10.710 -12.552 -25.075 1.00 0.00 O ATOM 899 CB LYS A 58 -11.939 -14.279 -22.318 1.00 0.00 C ATOM 900 CG LYS A 58 -11.371 -15.662 -22.682 1.00 0.00 C ATOM 901 CD LYS A 58 -11.354 -15.832 -24.209 1.00 0.00 C ATOM 902 CE LYS A 58 -10.416 -16.986 -24.579 1.00 0.00 C ATOM 903 NZ LYS A 58 -9.262 -16.481 -25.377 1.00 0.00 N ATOM 0 H LYS A 58 -11.254 -12.370 -20.832 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.960 -13.585 -22.923 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.089 -14.208 -21.241 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.914 -14.140 -22.786 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.362 -15.767 -22.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.977 -16.445 -22.226 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.360 -16.034 -24.575 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.021 -14.910 -24.686 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.055 -17.474 -23.674 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.961 -17.737 -25.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.635 -17.274 -25.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.612 -16.035 -26.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.734 -15.781 -24.818 1.00 0.00 H new ATOM 917 N VAL A 59 -12.704 -12.265 -24.159 1.00 0.00 N ATOM 918 CA VAL A 59 -13.263 -11.716 -25.415 1.00 0.00 C ATOM 919 C VAL A 59 -13.175 -10.197 -25.407 1.00 0.00 C ATOM 920 O VAL A 59 -13.851 -9.541 -24.638 1.00 0.00 O ATOM 921 CB VAL A 59 -14.738 -12.131 -25.502 1.00 0.00 C ATOM 922 CG1 VAL A 59 -14.832 -13.522 -26.134 1.00 0.00 C ATOM 923 CG2 VAL A 59 -15.330 -12.178 -24.091 1.00 0.00 C ATOM 0 H VAL A 59 -13.357 -12.323 -23.377 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.701 -12.098 -26.267 1.00 0.00 H new ATOM 0 HB VAL A 59 -15.289 -11.413 -26.109 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.878 -13.822 -26.198 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.399 -13.497 -27.134 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.286 -14.238 -25.520 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -16.378 -12.472 -24.146 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.781 -12.903 -23.490 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -15.253 -11.193 -23.631 1.00 0.00 H new ATOM 933 N ASN A 60 -12.345 -9.656 -26.259 1.00 0.00 N ATOM 934 CA ASN A 60 -12.215 -8.180 -26.297 1.00 0.00 C ATOM 935 C ASN A 60 -11.847 -7.678 -27.689 1.00 0.00 C ATOM 936 O ASN A 60 -11.550 -8.448 -28.582 1.00 0.00 O ATOM 937 CB ASN A 60 -11.099 -7.775 -25.324 1.00 0.00 C ATOM 938 CG ASN A 60 -9.871 -8.652 -25.574 1.00 0.00 C ATOM 939 OD1 ASN A 60 -8.787 -8.436 -24.883 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 -9.887 -9.538 -26.404 1.00 0.00 N flip ATOM 0 H ASN A 60 -11.761 -10.168 -26.920 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.174 -7.741 -26.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.844 -6.724 -25.461 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.439 -7.889 -24.295 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.732 -9.712 -26.948 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.055 -10.108 -26.557 1.00 0.00 H new ATOM 947 N ASN A 61 -11.881 -6.385 -27.835 1.00 0.00 N ATOM 948 CA ASN A 61 -11.545 -5.762 -29.137 1.00 0.00 C ATOM 949 C ASN A 61 -10.061 -5.411 -29.203 1.00 0.00 C ATOM 950 O ASN A 61 -9.586 -4.923 -30.205 1.00 0.00 O ATOM 951 CB ASN A 61 -12.361 -4.476 -29.285 1.00 0.00 C ATOM 952 CG ASN A 61 -13.848 -4.825 -29.389 1.00 0.00 C ATOM 953 OD1 ASN A 61 -14.345 -5.158 -30.445 1.00 0.00 O ATOM 954 ND2 ASN A 61 -14.593 -4.762 -28.318 1.00 0.00 N ATOM 0 H ASN A 61 -12.131 -5.727 -27.096 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.775 -6.466 -29.937 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.189 -3.823 -28.430 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.042 -3.930 -30.173 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.585 -4.992 -28.373 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.183 -4.483 -27.427 1.00 0.00 H new ATOM 961 N CYS A 62 -9.378 -5.605 -28.096 1.00 0.00 N ATOM 962 CA CYS A 62 -7.913 -5.297 -28.041 1.00 0.00 C ATOM 963 C CYS A 62 -7.175 -5.757 -29.309 1.00 0.00 C ATOM 964 O CYS A 62 -6.012 -5.456 -29.490 1.00 0.00 O ATOM 965 CB CYS A 62 -7.305 -6.048 -26.835 1.00 0.00 C ATOM 966 SG CYS A 62 -7.294 -7.857 -26.910 1.00 0.00 S ATOM 0 H CYS A 62 -9.775 -5.964 -27.228 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.799 -4.217 -27.953 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.277 -5.708 -26.708 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.852 -5.750 -25.940 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.692 -8.341 -25.771 1.00 0.00 H new ATOM 972 N ASP A 63 -7.860 -6.474 -30.162 1.00 0.00 N ATOM 973 CA ASP A 63 -7.200 -6.953 -31.408 1.00 0.00 C ATOM 974 C ASP A 63 -7.282 -5.930 -32.553 1.00 0.00 C ATOM 975 O ASP A 63 -6.399 -5.880 -33.385 1.00 0.00 O ATOM 976 CB ASP A 63 -7.914 -8.239 -31.857 1.00 0.00 C ATOM 977 CG ASP A 63 -7.596 -9.364 -30.873 1.00 0.00 C ATOM 978 OD1 ASP A 63 -6.441 -9.757 -30.856 1.00 0.00 O ATOM 979 OD2 ASP A 63 -8.524 -9.767 -30.194 1.00 0.00 O ATOM 0 H ASP A 63 -8.837 -6.745 -30.050 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.145 -7.119 -31.189 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.990 -8.074 -31.903 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.591 -8.516 -32.861 1.00 0.00 H new ATOM 984 N THR A 64 -8.333 -5.138 -32.585 1.00 0.00 N ATOM 985 CA THR A 64 -8.445 -4.129 -33.688 1.00 0.00 C ATOM 986 C THR A 64 -9.047 -2.812 -33.210 1.00 0.00 C ATOM 987 O THR A 64 -8.876 -1.791 -33.846 1.00 0.00 O ATOM 988 CB THR A 64 -9.331 -4.707 -34.779 1.00 0.00 C ATOM 989 OG1 THR A 64 -8.450 -5.377 -35.657 1.00 0.00 O ATOM 990 CG2 THR A 64 -9.953 -3.591 -35.632 1.00 0.00 C ATOM 0 H THR A 64 -9.099 -5.146 -31.912 1.00 0.00 H new ATOM 0 HA THR A 64 -7.441 -3.918 -34.056 1.00 0.00 H new ATOM 0 HB THR A 64 -10.112 -5.323 -34.332 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.626 -5.609 -35.180 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.582 -4.032 -36.405 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.558 -2.943 -34.998 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.161 -3.006 -36.099 1.00 0.00 H new ATOM 998 N ASN A 65 -9.744 -2.851 -32.107 1.00 0.00 N ATOM 999 CA ASN A 65 -10.357 -1.597 -31.587 1.00 0.00 C ATOM 1000 C ASN A 65 -10.288 -1.563 -30.069 1.00 0.00 C ATOM 1001 O ASN A 65 -11.233 -1.904 -29.388 1.00 0.00 O ATOM 1002 CB ASN A 65 -11.831 -1.551 -32.030 1.00 0.00 C ATOM 1003 CG ASN A 65 -12.353 -0.119 -31.900 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -12.922 0.249 -30.785 1.00 0.00 O flip ATOM 1005 ND2 ASN A 65 -12.247 0.677 -32.811 1.00 0.00 N flip ATOM 0 H ASN A 65 -9.914 -3.688 -31.549 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.813 -0.738 -31.981 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.924 -1.892 -33.061 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.428 -2.225 -31.416 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.803 0.395 -33.685 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.602 1.627 -32.702 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.165 -1.141 -29.567 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.001 -1.073 -28.097 1.00 0.00 C ATOM 1014 C GLU A 66 -9.919 -0.019 -27.511 1.00 0.00 C ATOM 1015 O GLU A 66 -10.081 0.075 -26.310 1.00 0.00 O ATOM 1016 CB GLU A 66 -7.544 -0.686 -27.784 1.00 0.00 C ATOM 1017 CG GLU A 66 -6.592 -1.570 -28.600 1.00 0.00 C ATOM 1018 CD GLU A 66 -5.290 -0.806 -28.860 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.401 0.382 -29.121 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -4.258 -1.452 -28.784 1.00 0.00 O ATOM 0 H GLU A 66 -8.356 -0.841 -30.112 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.248 -2.042 -27.664 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.376 0.364 -28.023 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.346 -0.806 -26.719 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.383 -2.494 -28.061 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.058 -1.850 -29.545 1.00 0.00 H new ATOM 1027 N ALA A 67 -10.507 0.753 -28.372 1.00 0.00 N ATOM 1028 CA ALA A 67 -11.417 1.808 -27.895 1.00 0.00 C ATOM 1029 C ALA A 67 -12.701 1.188 -27.373 1.00 0.00 C ATOM 1030 O ALA A 67 -13.395 1.769 -26.560 1.00 0.00 O ATOM 1031 CB ALA A 67 -11.747 2.721 -29.082 1.00 0.00 C ATOM 0 H ALA A 67 -10.394 0.696 -29.384 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.945 2.372 -27.091 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.421 3.513 -28.756 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.828 3.163 -29.468 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.227 2.137 -29.868 1.00 0.00 H new ATOM 1037 N ALA A 68 -12.987 0.009 -27.846 1.00 0.00 N ATOM 1038 CA ALA A 68 -14.215 -0.678 -27.401 1.00 0.00 C ATOM 1039 C ALA A 68 -13.978 -1.428 -26.096 1.00 0.00 C ATOM 1040 O ALA A 68 -14.567 -1.111 -25.083 1.00 0.00 O ATOM 1041 CB ALA A 68 -14.615 -1.684 -28.486 1.00 0.00 C ATOM 0 H ALA A 68 -12.420 -0.504 -28.521 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.000 0.060 -27.236 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.522 -2.206 -28.181 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -14.798 -1.156 -29.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.811 -2.406 -28.627 1.00 0.00 H new ATOM 1047 N TYR A 69 -13.115 -2.411 -26.140 1.00 0.00 N ATOM 1048 CA TYR A 69 -12.836 -3.184 -24.904 1.00 0.00 C ATOM 1049 C TYR A 69 -12.591 -2.232 -23.741 1.00 0.00 C ATOM 1050 O TYR A 69 -12.974 -2.501 -22.618 1.00 0.00 O ATOM 1051 CB TYR A 69 -11.566 -4.032 -25.135 1.00 0.00 C ATOM 1052 CG TYR A 69 -11.098 -4.688 -23.813 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -12.002 -5.024 -22.813 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -9.755 -4.956 -23.607 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -11.568 -5.610 -21.643 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -9.326 -5.541 -22.434 1.00 0.00 C ATOM 1057 CZ TYR A 69 -10.229 -5.873 -21.443 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.801 -6.459 -20.267 1.00 0.00 O ATOM 0 H TYR A 69 -12.600 -2.705 -26.970 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.687 -3.823 -24.670 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.768 -4.804 -25.878 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.771 -3.403 -25.536 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.054 -4.824 -22.953 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.036 -4.704 -24.373 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.284 -5.866 -20.876 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.275 -5.741 -22.289 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.828 -6.574 -20.294 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.957 -1.129 -24.038 1.00 0.00 N ATOM 1069 CA LYS A 70 -11.674 -0.142 -22.972 1.00 0.00 C ATOM 1070 C LYS A 70 -12.963 0.477 -22.461 1.00 0.00 C ATOM 1071 O LYS A 70 -13.278 0.382 -21.295 1.00 0.00 O ATOM 1072 CB LYS A 70 -10.790 0.968 -23.560 1.00 0.00 C ATOM 1073 CG LYS A 70 -10.529 2.024 -22.485 1.00 0.00 C ATOM 1074 CD LYS A 70 -9.367 2.914 -22.930 1.00 0.00 C ATOM 1075 CE LYS A 70 -9.334 4.164 -22.050 1.00 0.00 C ATOM 1076 NZ LYS A 70 -8.069 4.920 -22.265 1.00 0.00 N ATOM 0 H LYS A 70 -11.627 -0.875 -24.969 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.172 -0.643 -22.144 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.847 0.550 -23.913 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.280 1.422 -24.421 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.423 2.626 -22.324 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.293 1.544 -21.535 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.425 2.372 -22.850 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.486 3.193 -23.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.188 4.800 -22.280 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.421 3.880 -21.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.063 5.766 -21.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.258 4.316 -22.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.002 5.207 -23.262 1.00 0.00 H new ATOM 1090 N ALA A 71 -13.690 1.098 -23.346 1.00 0.00 N ATOM 1091 CA ALA A 71 -14.964 1.729 -22.924 1.00 0.00 C ATOM 1092 C ALA A 71 -15.757 0.791 -22.026 1.00 0.00 C ATOM 1093 O ALA A 71 -16.144 1.150 -20.931 1.00 0.00 O ATOM 1094 CB ALA A 71 -15.799 2.027 -24.180 1.00 0.00 C ATOM 0 H ALA A 71 -13.458 1.194 -24.335 1.00 0.00 H new ATOM 0 HA ALA A 71 -14.743 2.643 -22.373 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.741 2.492 -23.889 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -15.247 2.704 -24.832 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.002 1.097 -24.711 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.982 -0.399 -22.507 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.747 -1.386 -21.705 1.00 0.00 C ATOM 1102 C ARG A 72 -16.169 -1.524 -20.295 1.00 0.00 C ATOM 1103 O ARG A 72 -16.757 -1.076 -19.332 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.645 -2.750 -22.422 1.00 0.00 C ATOM 1105 CG ARG A 72 -17.419 -3.814 -21.632 1.00 0.00 C ATOM 1106 CD ARG A 72 -16.878 -5.201 -21.997 1.00 0.00 C ATOM 1107 NE ARG A 72 -17.339 -5.559 -23.368 1.00 0.00 N ATOM 1108 CZ ARG A 72 -17.240 -6.797 -23.774 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -16.060 -7.353 -23.820 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -18.323 -7.438 -24.117 1.00 0.00 N ATOM 0 H ARG A 72 -15.669 -0.728 -23.420 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.781 -1.054 -21.615 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.047 -2.671 -23.432 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.600 -3.044 -22.517 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.313 -3.639 -20.561 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.483 -3.753 -21.861 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.789 -5.203 -21.954 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.227 -5.942 -21.278 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.728 -4.845 -23.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.235 -6.822 -23.542 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.963 -8.319 -24.134 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.229 -6.972 -24.066 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.264 -8.405 -24.436 1.00 0.00 H new ATOM 1124 N TYR A 73 -15.021 -2.129 -20.207 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.383 -2.312 -18.878 1.00 0.00 C ATOM 1126 C TYR A 73 -14.334 -1.001 -18.090 1.00 0.00 C ATOM 1127 O TYR A 73 -15.007 -0.842 -17.095 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.937 -2.815 -19.114 1.00 0.00 C ATOM 1129 CG TYR A 73 -11.989 -2.221 -18.062 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.278 -2.328 -16.718 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -10.839 -1.565 -18.449 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -11.428 -1.787 -15.774 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -9.989 -1.024 -17.504 1.00 0.00 C ATOM 1134 CZ TYR A 73 -10.278 -1.131 -16.160 1.00 0.00 C ATOM 1135 OH TYR A 73 -9.432 -0.587 -15.216 1.00 0.00 O ATOM 0 H TYR A 73 -14.497 -2.505 -20.997 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.967 -3.026 -18.298 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.910 -3.904 -19.064 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.605 -2.533 -20.113 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.176 -2.839 -16.402 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.601 -1.474 -19.499 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.666 -1.878 -14.724 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.091 -0.513 -17.820 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.670 -0.164 -15.664 1.00 0.00 H new ATOM 1145 N ARG A 74 -13.545 -0.094 -18.569 1.00 0.00 N ATOM 1146 CA ARG A 74 -13.409 1.224 -17.889 1.00 0.00 C ATOM 1147 C ARG A 74 -14.736 1.791 -17.370 1.00 0.00 C ATOM 1148 O ARG A 74 -14.807 2.254 -16.248 1.00 0.00 O ATOM 1149 CB ARG A 74 -12.827 2.218 -18.902 1.00 0.00 C ATOM 1150 CG ARG A 74 -12.873 3.624 -18.306 1.00 0.00 C ATOM 1151 CD ARG A 74 -12.113 4.582 -19.224 1.00 0.00 C ATOM 1152 NE ARG A 74 -12.943 5.798 -19.450 1.00 0.00 N ATOM 1153 CZ ARG A 74 -12.737 6.526 -20.513 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -12.396 5.933 -21.624 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -12.873 7.820 -20.429 1.00 0.00 N ATOM 0 H ARG A 74 -12.980 -0.205 -19.411 1.00 0.00 H new ATOM 0 HA ARG A 74 -12.766 1.076 -17.021 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.800 1.947 -19.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.396 2.185 -19.831 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.907 3.951 -18.194 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.429 3.625 -17.311 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.158 4.856 -18.775 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.891 4.096 -20.174 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.666 6.059 -18.780 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.295 4.918 -21.650 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.230 6.484 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.137 8.249 -19.542 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.716 8.404 -21.251 1.00 0.00 H new ATOM 1169 N ILE A 75 -15.760 1.745 -18.179 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.080 2.296 -17.719 1.00 0.00 C ATOM 1171 C ILE A 75 -18.014 1.234 -17.120 1.00 0.00 C ATOM 1172 O ILE A 75 -18.266 1.233 -15.933 1.00 0.00 O ATOM 1173 CB ILE A 75 -17.773 2.924 -18.932 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -16.857 3.961 -19.573 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.055 3.627 -18.457 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -16.932 5.274 -18.781 1.00 0.00 C ATOM 0 H ILE A 75 -15.748 1.358 -19.123 1.00 0.00 H new ATOM 0 HA ILE A 75 -16.877 3.019 -16.929 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.007 2.147 -19.659 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -15.831 3.593 -19.591 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.152 4.132 -20.608 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -19.560 4.079 -19.311 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -19.717 2.899 -17.988 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -18.799 4.402 -17.735 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -16.277 6.014 -19.240 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.957 5.644 -18.786 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -16.615 5.097 -17.753 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.519 0.371 -17.955 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.445 -0.699 -17.458 1.00 0.00 C ATOM 1190 C ILE A 76 -18.912 -1.401 -16.205 1.00 0.00 C ATOM 1191 O ILE A 76 -19.605 -2.198 -15.605 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.635 -1.718 -18.567 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.052 -0.985 -19.832 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -20.769 -2.691 -18.157 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.376 -1.997 -20.918 1.00 0.00 C ATOM 0 H ILE A 76 -18.335 0.355 -18.958 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.390 -0.231 -17.183 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.710 -2.269 -18.738 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.921 -0.358 -19.633 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.251 -0.324 -20.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -20.917 -3.430 -18.945 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -20.497 -3.198 -17.231 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -21.692 -2.131 -18.006 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.675 -1.473 -21.826 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -19.495 -2.605 -21.123 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.191 -2.640 -20.585 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.689 -1.101 -15.843 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.087 -1.743 -14.627 1.00 0.00 C ATOM 1209 C TYR A 77 -18.123 -1.995 -13.535 1.00 0.00 C ATOM 1210 O TYR A 77 -18.039 -2.966 -12.812 1.00 0.00 O ATOM 1211 CB TYR A 77 -16.030 -0.792 -14.052 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.429 -1.419 -12.796 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -16.132 -1.434 -11.603 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -14.178 -1.987 -12.837 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -15.584 -2.008 -10.481 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -13.632 -2.557 -11.719 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.328 -2.574 -10.529 1.00 0.00 C ATOM 1218 OH TYR A 77 -13.774 -3.144 -9.405 1.00 0.00 O ATOM 0 H TYR A 77 -17.082 -0.443 -16.332 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.663 -2.700 -14.931 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.250 -0.605 -14.790 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.480 0.172 -13.813 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.116 -0.992 -11.554 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -13.620 -1.983 -13.762 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.141 -2.016 -9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.647 -2.997 -11.769 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.946 -2.673 -9.173 1.00 0.00 H new ATOM 1228 N SER A 78 -19.075 -1.123 -13.432 1.00 0.00 N ATOM 1229 CA SER A 78 -20.111 -1.308 -12.390 1.00 0.00 C ATOM 1230 C SER A 78 -20.865 -2.611 -12.590 1.00 0.00 C ATOM 1231 O SER A 78 -20.814 -3.495 -11.758 1.00 0.00 O ATOM 1232 CB SER A 78 -21.105 -0.142 -12.484 1.00 0.00 C ATOM 1233 OG SER A 78 -21.457 -0.098 -13.859 1.00 0.00 O ATOM 0 H SER A 78 -19.182 -0.296 -14.019 1.00 0.00 H new ATOM 0 HA SER A 78 -19.627 -1.337 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.978 -0.311 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.653 0.795 -12.158 1.00 0.00 H new ATOM 0 HG SER A 78 -22.371 -0.433 -13.974 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.549 -2.711 -13.686 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.312 -3.949 -13.954 1.00 0.00 C ATOM 1241 C ASN A 79 -21.380 -5.157 -14.034 1.00 0.00 C ATOM 1242 O ASN A 79 -21.820 -6.285 -13.933 1.00 0.00 O ATOM 1243 CB ASN A 79 -23.046 -3.783 -15.295 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.710 -2.402 -15.336 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -23.582 -1.613 -14.421 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -24.429 -2.072 -16.376 1.00 0.00 N ATOM 0 H ASN A 79 -21.613 -1.991 -14.406 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.020 -4.118 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -22.345 -3.888 -16.123 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.797 -4.565 -15.412 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -24.878 -1.157 -16.416 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -24.541 -2.729 -17.148 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.109 -4.904 -14.214 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.155 -6.037 -14.300 1.00 0.00 C ATOM 1255 C VAL A 80 -18.903 -6.628 -12.912 1.00 0.00 C ATOM 1256 O VAL A 80 -18.779 -7.827 -12.764 1.00 0.00 O ATOM 1257 CB VAL A 80 -17.827 -5.531 -14.889 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -16.787 -6.650 -14.827 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -18.049 -5.140 -16.352 1.00 0.00 C ATOM 0 H VAL A 80 -19.700 -3.974 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.578 -6.812 -14.939 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.476 -4.670 -14.320 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.845 -6.294 -15.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.635 -6.949 -13.790 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.139 -7.506 -15.403 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.113 -4.780 -16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.393 -6.009 -16.913 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.800 -4.352 -16.408 1.00 0.00 H new ATOM 1269 N ILE A 81 -18.832 -5.775 -11.915 1.00 0.00 N ATOM 1270 CA ILE A 81 -18.591 -6.292 -10.539 1.00 0.00 C ATOM 1271 C ILE A 81 -19.909 -6.751 -9.927 1.00 0.00 C ATOM 1272 O ILE A 81 -19.933 -7.416 -8.912 1.00 0.00 O ATOM 1273 CB ILE A 81 -17.992 -5.158 -9.678 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -16.473 -5.166 -9.787 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.357 -5.393 -8.199 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -16.061 -5.129 -11.259 1.00 0.00 C ATOM 0 H ILE A 81 -18.929 -4.763 -11.996 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.901 -7.135 -10.577 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.390 -4.206 -10.031 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -16.057 -4.307 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.069 -6.058 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.936 -4.594 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.441 -5.400 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.953 -6.351 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.974 -5.135 -11.333 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.464 -6.002 -11.772 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.451 -4.223 -11.723 1.00 0.00 H new ATOM 1288 N SER A 82 -20.987 -6.384 -10.571 1.00 0.00 N ATOM 1289 CA SER A 82 -22.320 -6.780 -10.059 1.00 0.00 C ATOM 1290 C SER A 82 -22.805 -8.053 -10.746 1.00 0.00 C ATOM 1291 O SER A 82 -23.029 -9.060 -10.104 1.00 0.00 O ATOM 1292 CB SER A 82 -23.308 -5.647 -10.367 1.00 0.00 C ATOM 1293 OG SER A 82 -24.525 -6.077 -9.774 1.00 0.00 O ATOM 0 H SER A 82 -20.996 -5.829 -11.427 1.00 0.00 H new ATOM 0 HA SER A 82 -22.253 -6.964 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 82 -22.972 -4.700 -9.945 1.00 0.00 H new ATOM 0 HB3 SER A 82 -23.419 -5.496 -11.441 1.00 0.00 H new ATOM 0 HG SER A 82 -25.219 -5.401 -9.924 1.00 0.00 H new ATOM 1299 N LYS A 83 -22.958 -7.973 -12.048 1.00 0.00 N ATOM 1300 CA LYS A 83 -23.428 -9.158 -12.825 1.00 0.00 C ATOM 1301 C LYS A 83 -22.443 -9.483 -13.952 1.00 0.00 C ATOM 1302 O LYS A 83 -21.256 -9.264 -13.811 1.00 0.00 O ATOM 1303 CB LYS A 83 -24.808 -8.815 -13.426 1.00 0.00 C ATOM 1304 CG LYS A 83 -25.871 -8.943 -12.332 1.00 0.00 C ATOM 1305 CD LYS A 83 -26.031 -10.419 -11.959 1.00 0.00 C ATOM 1306 CE LYS A 83 -27.489 -10.686 -11.579 1.00 0.00 C ATOM 1307 NZ LYS A 83 -28.387 -10.415 -12.734 1.00 0.00 N ATOM 0 H LYS A 83 -22.777 -7.137 -12.603 1.00 0.00 H new ATOM 0 HA LYS A 83 -23.497 -10.027 -12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.802 -7.802 -13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -25.036 -9.487 -14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -25.581 -8.363 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -26.821 -8.538 -12.682 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.739 -11.052 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -25.374 -10.669 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -27.603 -11.721 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -27.772 -10.057 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -29.178 -11.090 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -28.758 -9.446 -12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -27.853 -10.519 -13.621 1.00 0.00 H new ATOM 1321 N ASN A 84 -22.949 -10.003 -15.049 1.00 0.00 N ATOM 1322 CA ASN A 84 -22.051 -10.345 -16.187 1.00 0.00 C ATOM 1323 C ASN A 84 -22.667 -9.917 -17.512 1.00 0.00 C ATOM 1324 O ASN A 84 -23.668 -9.231 -17.539 1.00 0.00 O ATOM 1325 CB ASN A 84 -21.853 -11.866 -16.201 1.00 0.00 C ATOM 1326 CG ASN A 84 -20.989 -12.268 -15.006 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -21.270 -11.922 -13.876 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -19.930 -13.000 -15.211 1.00 0.00 N ATOM 0 H ASN A 84 -23.938 -10.202 -15.199 1.00 0.00 H new ATOM 0 HA ASN A 84 -21.101 -9.825 -16.062 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -22.818 -12.371 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -21.376 -12.175 -17.131 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -19.343 -13.279 -14.425 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.689 -13.294 -16.157 1.00 0.00 H new ATOM 1335 N ASN A 85 -22.054 -10.331 -18.592 1.00 0.00 N ATOM 1336 CA ASN A 85 -22.590 -9.957 -19.924 1.00 0.00 C ATOM 1337 C ASN A 85 -22.849 -8.450 -20.003 1.00 0.00 C ATOM 1338 O ASN A 85 -23.939 -7.990 -19.725 1.00 0.00 O ATOM 1339 CB ASN A 85 -23.926 -10.689 -20.129 1.00 0.00 C ATOM 1340 CG ASN A 85 -24.562 -10.223 -21.443 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -23.901 -9.399 -22.214 1.00 0.00 O flip ATOM 1342 ND2 ASN A 85 -25.665 -10.605 -21.778 1.00 0.00 N flip ATOM 0 H ASN A 85 -21.212 -10.907 -18.604 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.864 -10.232 -20.689 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -23.764 -11.767 -20.152 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -24.597 -10.486 -19.295 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -26.185 -11.248 -21.181 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -26.071 -10.283 -22.657 1.00 0.00 H new ATOM 1349 N PRO A 86 -21.830 -7.703 -20.385 1.00 0.00 N ATOM 1350 CA PRO A 86 -21.948 -6.255 -20.498 1.00 0.00 C ATOM 1351 C PRO A 86 -22.918 -5.872 -21.609 1.00 0.00 C ATOM 1352 O PRO A 86 -23.479 -4.795 -21.600 1.00 0.00 O ATOM 1353 CB PRO A 86 -20.526 -5.766 -20.850 1.00 0.00 C ATOM 1354 CG PRO A 86 -19.616 -7.029 -20.955 1.00 0.00 C ATOM 1355 CD PRO A 86 -20.513 -8.254 -20.726 1.00 0.00 C ATOM 0 HA PRO A 86 -22.330 -5.810 -19.579 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -20.530 -5.216 -21.791 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.153 -5.086 -20.085 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -19.139 -7.079 -21.934 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.819 -6.992 -20.213 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -20.565 -8.877 -21.619 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -20.127 -8.881 -19.922 1.00 0.00 H new ATOM 1363 N ASP A 87 -23.089 -6.768 -22.549 1.00 0.00 N ATOM 1364 CA ASP A 87 -24.017 -6.492 -23.676 1.00 0.00 C ATOM 1365 C ASP A 87 -23.402 -5.532 -24.682 1.00 0.00 C ATOM 1366 O ASP A 87 -24.101 -4.775 -25.321 1.00 0.00 O ATOM 1367 CB ASP A 87 -25.300 -5.859 -23.115 1.00 0.00 C ATOM 1368 CG ASP A 87 -26.499 -6.326 -23.943 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -26.563 -7.521 -24.175 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -27.280 -5.459 -24.298 1.00 0.00 O ATOM 0 H ASP A 87 -22.625 -7.676 -22.580 1.00 0.00 H new ATOM 0 HA ASP A 87 -24.230 -7.433 -24.183 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -25.432 -6.142 -22.071 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -25.225 -4.772 -23.143 1.00 0.00 H new ATOM 1375 N LEU A 88 -22.103 -5.571 -24.808 1.00 0.00 N ATOM 1376 CA LEU A 88 -21.454 -4.656 -25.776 1.00 0.00 C ATOM 1377 C LEU A 88 -21.856 -5.031 -27.201 1.00 0.00 C ATOM 1378 O LEU A 88 -21.582 -4.313 -28.142 1.00 0.00 O ATOM 1379 CB LEU A 88 -19.922 -4.771 -25.627 1.00 0.00 C ATOM 1380 CG LEU A 88 -19.287 -3.402 -25.882 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -19.523 -2.498 -24.661 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -17.781 -3.588 -26.099 1.00 0.00 C ATOM 0 H LEU A 88 -21.476 -6.187 -24.290 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.772 -3.633 -25.576 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -19.667 -5.123 -24.627 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -19.530 -5.504 -26.332 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.733 -2.942 -26.764 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -19.072 -1.522 -24.839 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -20.594 -2.379 -24.498 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -19.070 -2.952 -23.779 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -17.317 -2.619 -26.282 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.339 -4.040 -25.211 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.615 -4.238 -26.958 1.00 0.00 H new ATOM 1579 N PHE A 101 -22.921 -5.908 -41.247 1.00 0.00 N ATOM 1580 CA PHE A 101 -22.965 -6.865 -40.101 1.00 0.00 C ATOM 1581 C PHE A 101 -24.323 -6.829 -39.371 1.00 0.00 C ATOM 1582 O PHE A 101 -24.741 -7.811 -38.789 1.00 0.00 O ATOM 1583 CB PHE A 101 -21.856 -6.468 -39.108 1.00 0.00 C ATOM 1584 CG PHE A 101 -22.463 -5.576 -38.056 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -22.838 -4.295 -38.376 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -22.738 -6.068 -36.802 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -23.485 -3.515 -37.464 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -23.387 -5.290 -35.883 1.00 0.00 C ATOM 1589 CZ PHE A 101 -23.764 -4.007 -36.212 1.00 0.00 C ATOM 0 HA PHE A 101 -22.821 -7.875 -40.485 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -21.421 -7.356 -38.649 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -21.049 -5.950 -39.626 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -22.619 -3.902 -39.358 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -22.440 -7.073 -36.541 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -23.779 -2.509 -37.726 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -23.604 -5.682 -34.900 1.00 0.00 H new ATOM 0 HZ PHE A 101 -24.277 -3.390 -35.489 1.00 0.00 H new ATOM 1599 N LEU A 102 -24.979 -5.697 -39.415 1.00 0.00 N ATOM 1600 CA LEU A 102 -26.299 -5.589 -38.730 1.00 0.00 C ATOM 1601 C LEU A 102 -27.198 -6.777 -39.054 1.00 0.00 C ATOM 1602 O LEU A 102 -28.143 -7.053 -38.341 1.00 0.00 O ATOM 1603 CB LEU A 102 -26.989 -4.294 -39.190 1.00 0.00 C ATOM 1604 CG LEU A 102 -27.379 -4.430 -40.657 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -28.902 -4.320 -40.789 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -26.720 -3.308 -41.465 1.00 0.00 C ATOM 0 H LEU A 102 -24.661 -4.853 -39.890 1.00 0.00 H new ATOM 0 HA LEU A 102 -26.129 -5.578 -37.653 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -27.873 -4.103 -38.582 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -26.320 -3.444 -39.056 1.00 0.00 H new ATOM 0 HG LEU A 102 -27.046 -5.397 -41.035 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -29.184 -4.417 -41.837 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -29.376 -5.113 -40.211 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -29.231 -3.351 -40.413 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -26.998 -3.404 -42.515 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -27.056 -2.342 -41.087 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -25.637 -3.378 -41.369 1.00 0.00 H new ATOM 1618 N ALA A 103 -26.890 -7.455 -40.127 1.00 0.00 N ATOM 1619 CA ALA A 103 -27.714 -8.627 -40.516 1.00 0.00 C ATOM 1620 C ALA A 103 -27.098 -9.919 -39.999 1.00 0.00 C ATOM 1621 O ALA A 103 -27.753 -10.703 -39.343 1.00 0.00 O ATOM 1622 CB ALA A 103 -27.776 -8.685 -42.052 1.00 0.00 C ATOM 0 H ALA A 103 -26.107 -7.247 -40.746 1.00 0.00 H new ATOM 0 HA ALA A 103 -28.710 -8.522 -40.086 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -28.378 -9.540 -42.360 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -28.227 -7.768 -42.433 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -26.768 -8.787 -42.453 1.00 0.00 H new ATOM 1628 N THR A 104 -25.845 -10.118 -40.305 1.00 0.00 N ATOM 1629 CA THR A 104 -25.167 -11.355 -39.840 1.00 0.00 C ATOM 1630 C THR A 104 -23.694 -11.091 -39.551 1.00 0.00 C ATOM 1631 O THR A 104 -22.975 -10.585 -40.391 1.00 0.00 O ATOM 1632 CB THR A 104 -25.271 -12.412 -40.944 1.00 0.00 C ATOM 1633 OG1 THR A 104 -24.931 -11.740 -42.139 1.00 0.00 O ATOM 1634 CG2 THR A 104 -26.730 -12.848 -41.146 1.00 0.00 C ATOM 0 H THR A 104 -25.267 -9.481 -40.853 1.00 0.00 H new ATOM 0 HA THR A 104 -25.647 -11.698 -38.924 1.00 0.00 H new ATOM 0 HB THR A 104 -24.647 -13.270 -40.694 1.00 0.00 H new ATOM 0 HG1 THR A 104 -24.200 -11.111 -41.964 1.00 0.00 H new ATOM 0 HG21 THR A 104 -26.780 -13.599 -41.935 1.00 0.00 H new ATOM 0 HG22 THR A 104 -27.115 -13.270 -40.218 1.00 0.00 H new ATOM 0 HG23 THR A 104 -27.332 -11.984 -41.429 1.00 0.00 H new ATOM 1642 N CYS A 105 -23.272 -11.442 -38.367 1.00 0.00 N ATOM 1643 CA CYS A 105 -21.853 -11.221 -38.003 1.00 0.00 C ATOM 1644 C CYS A 105 -21.020 -12.466 -38.278 1.00 0.00 C ATOM 1645 O CYS A 105 -20.016 -12.405 -38.959 1.00 0.00 O ATOM 1646 CB CYS A 105 -21.785 -10.904 -36.500 1.00 0.00 C ATOM 1647 SG CYS A 105 -20.325 -11.477 -35.595 1.00 0.00 S ATOM 0 H CYS A 105 -23.849 -11.870 -37.642 1.00 0.00 H new ATOM 0 HA CYS A 105 -21.457 -10.399 -38.599 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -21.853 -9.823 -36.380 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -22.667 -11.334 -36.024 1.00 0.00 H new ATOM 0 HG CYS A 105 -20.424 -11.128 -34.347 1.00 0.00 H new ATOM 1653 N ASP A 106 -21.453 -13.574 -37.742 1.00 0.00 N ATOM 1654 CA ASP A 106 -20.701 -14.837 -37.961 1.00 0.00 C ATOM 1655 C ASP A 106 -21.282 -15.626 -39.126 1.00 0.00 C ATOM 1656 O ASP A 106 -20.561 -16.266 -39.865 1.00 0.00 O ATOM 1657 CB ASP A 106 -20.805 -15.693 -36.687 1.00 0.00 C ATOM 1658 CG ASP A 106 -19.921 -16.934 -36.838 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -18.720 -16.764 -36.704 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -20.497 -17.983 -37.079 1.00 0.00 O ATOM 0 H ASP A 106 -22.290 -13.657 -37.165 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.664 -14.593 -38.189 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.492 -15.113 -35.819 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.840 -15.988 -36.517 1.00 0.00 H new ATOM 1665 N ALA A 107 -22.573 -15.568 -39.271 1.00 0.00 N ATOM 1666 CA ALA A 107 -23.210 -16.310 -40.384 1.00 0.00 C ATOM 1667 C ALA A 107 -22.827 -15.705 -41.723 1.00 0.00 C ATOM 1668 O ALA A 107 -23.096 -16.274 -42.762 1.00 0.00 O ATOM 1669 CB ALA A 107 -24.737 -16.227 -40.216 1.00 0.00 C ATOM 0 H ALA A 107 -23.209 -15.043 -38.671 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.873 -17.346 -40.361 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -25.222 -16.769 -41.028 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -25.023 -16.670 -39.262 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -25.049 -15.183 -40.239 1.00 0.00 H new ATOM 1675 N LYS A 108 -22.205 -14.560 -41.681 1.00 0.00 N ATOM 1676 CA LYS A 108 -21.804 -13.921 -42.951 1.00 0.00 C ATOM 1677 C LYS A 108 -20.673 -14.696 -43.580 1.00 0.00 C ATOM 1678 O LYS A 108 -20.454 -14.623 -44.773 1.00 0.00 O ATOM 1679 CB LYS A 108 -21.330 -12.488 -42.659 1.00 0.00 C ATOM 1680 CG LYS A 108 -21.015 -11.787 -43.983 1.00 0.00 C ATOM 1681 CD LYS A 108 -21.587 -10.366 -43.952 1.00 0.00 C ATOM 1682 CE LYS A 108 -20.740 -9.504 -43.015 1.00 0.00 C ATOM 1683 NZ LYS A 108 -20.835 -8.068 -43.397 1.00 0.00 N ATOM 0 H LYS A 108 -21.962 -14.050 -40.832 1.00 0.00 H new ATOM 0 HA LYS A 108 -22.653 -13.906 -43.634 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -22.101 -11.940 -42.117 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -20.445 -12.507 -42.023 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -19.937 -11.754 -44.143 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -21.444 -12.346 -44.815 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -21.589 -9.940 -44.955 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -22.622 -10.385 -43.612 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -21.077 -9.636 -41.987 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -19.700 -9.828 -43.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -20.254 -7.498 -42.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -20.492 -7.944 -44.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -21.826 -7.758 -43.337 1.00 0.00 H new ATOM 1697 N ASP A 109 -19.964 -15.435 -42.771 1.00 0.00 N ATOM 1698 CA ASP A 109 -18.850 -16.217 -43.328 1.00 0.00 C ATOM 1699 C ASP A 109 -19.410 -17.151 -44.351 1.00 0.00 C ATOM 1700 O ASP A 109 -18.793 -17.441 -45.357 1.00 0.00 O ATOM 1701 CB ASP A 109 -18.191 -17.029 -42.202 1.00 0.00 C ATOM 1702 CG ASP A 109 -17.465 -16.081 -41.247 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -18.130 -15.170 -40.780 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -16.287 -16.322 -41.035 1.00 0.00 O ATOM 0 H ASP A 109 -20.112 -15.524 -41.766 1.00 0.00 H new ATOM 0 HA ASP A 109 -18.107 -15.560 -43.779 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -18.946 -17.600 -41.661 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -17.488 -17.748 -42.622 1.00 0.00 H new ATOM 1709 N LEU A 110 -20.584 -17.608 -44.069 1.00 0.00 N ATOM 1710 CA LEU A 110 -21.244 -18.522 -44.986 1.00 0.00 C ATOM 1711 C LEU A 110 -22.742 -18.429 -44.797 1.00 0.00 C ATOM 1712 O LEU A 110 -23.339 -19.220 -44.095 1.00 0.00 O ATOM 1713 CB LEU A 110 -20.789 -19.944 -44.652 1.00 0.00 C ATOM 1714 CG LEU A 110 -20.920 -20.155 -43.143 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -21.703 -21.444 -42.880 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -19.528 -20.275 -42.525 1.00 0.00 C ATOM 0 H LEU A 110 -21.113 -17.378 -43.228 1.00 0.00 H new ATOM 0 HA LEU A 110 -20.992 -18.269 -46.016 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -21.396 -20.672 -45.190 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -19.757 -20.095 -44.967 1.00 0.00 H new ATOM 0 HG LEU A 110 -21.445 -19.309 -42.699 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -21.799 -21.599 -41.805 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -22.695 -21.364 -43.325 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -21.174 -22.288 -43.322 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -19.619 -20.425 -41.449 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -19.006 -21.123 -42.967 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -18.965 -19.362 -42.717 1.00 0.00 H new ATOM 1728 N ALA A 111 -23.327 -17.459 -45.433 1.00 0.00 N ATOM 1729 CA ALA A 111 -24.792 -17.296 -45.308 1.00 0.00 C ATOM 1730 C ALA A 111 -25.536 -18.527 -45.842 1.00 0.00 C ATOM 1731 O ALA A 111 -26.427 -19.043 -45.199 1.00 0.00 O ATOM 1732 CB ALA A 111 -25.226 -16.060 -46.115 1.00 0.00 C ATOM 0 H ALA A 111 -22.857 -16.778 -46.029 1.00 0.00 H new ATOM 0 HA ALA A 111 -25.038 -17.176 -44.253 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -26.305 -15.930 -46.030 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -24.722 -15.176 -45.725 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -24.959 -16.197 -47.163 1.00 0.00 H new ATOM 1738 N PRO A 112 -25.146 -18.979 -47.023 1.00 0.00 N ATOM 1739 CA PRO A 112 -25.774 -20.142 -47.637 1.00 0.00 C ATOM 1740 C PRO A 112 -25.421 -21.424 -46.892 1.00 0.00 C ATOM 1741 O PRO A 112 -24.331 -21.565 -46.378 1.00 0.00 O ATOM 1742 CB PRO A 112 -25.188 -20.205 -49.063 1.00 0.00 C ATOM 1743 CG PRO A 112 -24.108 -19.084 -49.169 1.00 0.00 C ATOM 1744 CD PRO A 112 -24.069 -18.360 -47.812 1.00 0.00 C ATOM 0 HA PRO A 112 -26.860 -20.055 -47.622 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -24.747 -21.183 -49.255 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -25.970 -20.057 -49.807 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -23.133 -19.510 -49.406 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -24.354 -18.387 -49.970 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -23.101 -18.484 -47.326 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -24.231 -17.289 -47.931 1.00 0.00 H new ATOM 1752 N ALA A 113 -26.352 -22.334 -46.846 1.00 0.00 N ATOM 1753 CA ALA A 113 -26.086 -23.610 -46.141 1.00 0.00 C ATOM 1754 C ALA A 113 -26.975 -24.725 -46.689 1.00 0.00 C ATOM 1755 O ALA A 113 -27.762 -25.313 -45.976 1.00 0.00 O ATOM 1756 CB ALA A 113 -26.399 -23.413 -44.650 1.00 0.00 C ATOM 0 H ALA A 113 -27.278 -22.248 -47.264 1.00 0.00 H new ATOM 0 HA ALA A 113 -25.043 -23.890 -46.288 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -26.209 -24.342 -44.113 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -25.764 -22.624 -44.246 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -27.446 -23.133 -44.532 1.00 0.00 H new