USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 49 TYR OH : rot -89:sc= 0.734 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.628 K(o=1.4,f=-0.14) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.983 X(o=-0.98,f=-0.71) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.437 K(o=-0.44,f=-5.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00639 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0513 K(o=-0.051,f=-0.74) USER MOD Single : A 52 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.64) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.0119 X(o=-0.012,f=-0.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.084) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.112) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -10:sc= -0.0507 USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -2.88 (180deg=-4.98!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -150:sc=-0.00851 USER MOD Single : A 92 ASN : amide:sc= -1.55! C(o=-1.5!,f=-3.3!) USER MOD Single : A 100 ASN : amide:sc= -3.68! C(o=-3.7!,f=-10!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.707 2.486 7.856 1.00 0.00 N ATOM 119 CA VAL A 11 -20.145 2.497 6.510 1.00 0.00 C ATOM 120 C VAL A 11 -19.969 1.079 5.977 1.00 0.00 C ATOM 121 O VAL A 11 -20.152 0.103 6.704 1.00 0.00 O ATOM 122 CB VAL A 11 -18.785 3.219 6.475 1.00 0.00 C ATOM 123 CG1 VAL A 11 -18.903 4.610 7.080 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.729 2.401 7.203 1.00 0.00 C ATOM 0 HA VAL A 11 -20.850 3.036 5.877 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.477 3.326 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.932 5.105 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.628 5.194 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.234 4.530 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.774 2.926 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.029 2.261 8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.626 1.429 6.721 1.00 0.00 H new ATOM 134 N LYS A 12 -19.613 0.973 4.701 1.00 0.00 N ATOM 135 CA LYS A 12 -19.410 -0.325 4.069 1.00 0.00 C ATOM 136 C LYS A 12 -17.986 -0.823 4.294 1.00 0.00 C ATOM 137 O LYS A 12 -17.028 -0.239 3.790 1.00 0.00 O ATOM 138 CB LYS A 12 -19.698 -0.234 2.568 1.00 0.00 C ATOM 139 CG LYS A 12 -21.151 -0.496 2.212 1.00 0.00 C ATOM 140 CD LYS A 12 -21.385 -0.392 0.714 1.00 0.00 C ATOM 141 CE LYS A 12 -21.131 -1.719 0.016 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.668 -1.728 -1.373 1.00 0.00 N ATOM 0 H LYS A 12 -19.459 1.771 4.084 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.101 -1.035 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.418 0.758 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.068 -0.951 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.438 -1.489 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.789 0.219 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.410 -0.071 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.730 0.372 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.059 -1.917 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.592 -2.524 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.475 -2.650 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.695 -1.564 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.210 -0.976 -1.927 1.00 0.00 H new ATOM 156 N GLU A 13 -17.857 -1.907 5.053 1.00 0.00 N ATOM 157 CA GLU A 13 -16.549 -2.483 5.344 1.00 0.00 C ATOM 158 C GLU A 13 -15.910 -3.048 4.079 1.00 0.00 C ATOM 159 O GLU A 13 -16.338 -4.081 3.561 1.00 0.00 O ATOM 160 CB GLU A 13 -16.675 -3.584 6.400 1.00 0.00 C ATOM 161 CG GLU A 13 -17.678 -4.666 6.034 1.00 0.00 C ATOM 162 CD GLU A 13 -17.931 -5.635 7.172 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.080 -5.172 8.323 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.981 -6.855 6.913 1.00 0.00 O ATOM 0 H GLU A 13 -18.641 -2.403 5.477 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.909 -1.690 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.698 -4.043 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.968 -3.134 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.619 -4.200 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.313 -5.217 5.167 1.00 0.00 H new ATOM 171 N LEU A 14 -14.884 -2.364 3.586 1.00 0.00 N ATOM 172 CA LEU A 14 -14.185 -2.796 2.380 1.00 0.00 C ATOM 173 C LEU A 14 -12.957 -3.630 2.732 1.00 0.00 C ATOM 174 O LEU A 14 -12.167 -3.258 3.601 1.00 0.00 O ATOM 175 CB LEU A 14 -13.769 -1.583 1.546 1.00 0.00 C ATOM 176 CG LEU A 14 -14.880 -0.588 1.208 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.300 0.662 0.565 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.912 -1.231 0.294 1.00 0.00 C ATOM 0 H LEU A 14 -14.517 -1.508 4.002 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.867 -3.414 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.983 -1.051 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.333 -1.941 0.613 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.376 -0.298 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.105 1.358 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.600 1.135 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.778 0.390 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.695 -0.508 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.431 -1.551 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.351 -2.095 0.792 1.00 0.00 H new ATOM 190 N THR A 15 -12.801 -4.761 2.050 1.00 0.00 N ATOM 191 CA THR A 15 -11.669 -5.648 2.290 1.00 0.00 C ATOM 192 C THR A 15 -10.456 -5.225 1.469 1.00 0.00 C ATOM 193 O THR A 15 -10.301 -5.631 0.317 1.00 0.00 O ATOM 194 CB THR A 15 -12.020 -7.109 1.952 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.105 -7.555 2.772 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.816 -8.016 2.159 1.00 0.00 C ATOM 0 H THR A 15 -13.444 -5.084 1.327 1.00 0.00 H new ATOM 0 HA THR A 15 -11.429 -5.576 3.351 1.00 0.00 H new ATOM 0 HB THR A 15 -12.315 -7.155 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.323 -8.484 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.088 -9.043 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.001 -7.692 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.496 -7.964 3.200 1.00 0.00 H new ATOM 204 N VAL A 16 -9.597 -4.407 2.069 1.00 0.00 N ATOM 205 CA VAL A 16 -8.396 -3.930 1.393 1.00 0.00 C ATOM 206 C VAL A 16 -7.229 -4.886 1.609 1.00 0.00 C ATOM 207 O VAL A 16 -6.983 -5.341 2.726 1.00 0.00 O ATOM 208 CB VAL A 16 -7.994 -2.527 1.886 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.728 -2.058 1.187 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.131 -1.540 1.668 1.00 0.00 C ATOM 0 H VAL A 16 -9.710 -4.061 3.022 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.630 -3.880 0.329 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.791 -2.581 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.460 -1.065 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.916 -2.753 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.900 -2.019 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.830 -0.554 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.368 -1.487 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.011 -1.871 2.220 1.00 0.00 H new ATOM 220 N SER A 17 -6.512 -5.188 0.531 1.00 0.00 N ATOM 221 CA SER A 17 -5.371 -6.093 0.601 1.00 0.00 C ATOM 222 C SER A 17 -4.291 -5.684 -0.396 1.00 0.00 C ATOM 223 O SER A 17 -4.566 -5.485 -1.579 1.00 0.00 O ATOM 224 CB SER A 17 -5.816 -7.531 0.326 1.00 0.00 C ATOM 225 OG SER A 17 -4.798 -8.455 0.670 1.00 0.00 O ATOM 0 H SER A 17 -6.701 -4.819 -0.401 1.00 0.00 H new ATOM 0 HA SER A 17 -4.954 -6.035 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.719 -7.751 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.070 -7.641 -0.728 1.00 0.00 H new ATOM 0 HG SER A 17 -5.108 -9.366 0.486 1.00 0.00 H new ATOM 231 N ALA A 18 -3.060 -5.562 0.091 1.00 0.00 N ATOM 232 CA ALA A 18 -1.938 -5.179 -0.756 1.00 0.00 C ATOM 233 C ALA A 18 -1.475 -6.350 -1.616 1.00 0.00 C ATOM 234 O ALA A 18 -1.156 -6.181 -2.792 1.00 0.00 O ATOM 235 CB ALA A 18 -0.788 -4.659 0.094 1.00 0.00 C ATOM 0 H ALA A 18 -2.815 -5.723 1.068 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.272 -4.383 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.043 -4.377 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.119 -3.789 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.463 -5.439 0.783 1.00 0.00 H new ATOM 241 N GLY A 19 -1.439 -7.538 -1.021 1.00 0.00 N ATOM 242 CA GLY A 19 -1.013 -8.720 -1.748 1.00 0.00 C ATOM 243 C GLY A 19 -0.220 -9.679 -0.881 1.00 0.00 C ATOM 244 O GLY A 19 -0.716 -10.742 -0.507 1.00 0.00 O ATOM 0 H GLY A 19 -1.697 -7.703 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.888 -9.233 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.405 -8.419 -2.601 1.00 0.00 H new ATOM 248 N ASP A 20 1.014 -9.304 -0.564 1.00 0.00 N ATOM 249 CA ASP A 20 1.877 -10.139 0.263 1.00 0.00 C ATOM 250 C ASP A 20 3.184 -9.420 0.583 1.00 0.00 C ATOM 251 O ASP A 20 3.444 -8.330 0.077 1.00 0.00 O ATOM 252 CB ASP A 20 2.170 -11.464 -0.443 1.00 0.00 C ATOM 253 CG ASP A 20 2.644 -12.539 0.515 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.001 -12.718 1.570 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.660 -13.199 0.211 1.00 0.00 O ATOM 0 H ASP A 20 1.439 -8.428 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 20 1.356 -10.342 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.270 -11.807 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.929 -11.304 -1.209 1.00 0.00 H new ATOM 260 N ASN A 21 4.003 -10.039 1.428 1.00 0.00 N ATOM 261 CA ASN A 21 5.282 -9.457 1.817 1.00 0.00 C ATOM 262 C ASN A 21 6.251 -9.436 0.639 1.00 0.00 C ATOM 263 O ASN A 21 6.425 -10.440 -0.054 1.00 0.00 O ATOM 264 CB ASN A 21 5.891 -10.244 2.980 1.00 0.00 C ATOM 265 CG ASN A 21 5.951 -11.733 2.701 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.613 -12.175 1.762 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.256 -12.516 3.519 1.00 0.00 N ATOM 0 H ASN A 21 3.803 -10.943 1.856 1.00 0.00 H new ATOM 0 HA ASN A 21 5.104 -8.430 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.897 -9.873 3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.303 -10.069 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.257 -13.527 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.721 -12.106 4.285 1.00 0.00 H new ATOM 274 N LEU A 22 6.880 -8.287 0.418 1.00 0.00 N ATOM 275 CA LEU A 22 7.833 -8.135 -0.676 1.00 0.00 C ATOM 276 C LEU A 22 9.244 -7.909 -0.142 1.00 0.00 C ATOM 277 O LEU A 22 9.442 -7.167 0.821 1.00 0.00 O ATOM 278 CB LEU A 22 7.424 -6.968 -1.576 1.00 0.00 C ATOM 279 CG LEU A 22 5.963 -6.949 -2.027 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.493 -8.353 -2.377 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.079 -6.344 -0.946 1.00 0.00 C ATOM 0 H LEU A 22 6.747 -7.447 0.982 1.00 0.00 H new ATOM 0 HA LEU A 22 7.828 -9.056 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.633 -6.038 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.057 -6.980 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 22 5.887 -6.329 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.451 -8.319 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.107 -8.751 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.584 -8.996 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.043 -6.339 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.160 -6.937 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.400 -5.322 -0.743 1.00 0.00 H new ATOM 293 N ILE A 23 10.220 -8.552 -0.773 1.00 0.00 N ATOM 294 CA ILE A 23 11.613 -8.418 -0.363 1.00 0.00 C ATOM 295 C ILE A 23 12.507 -8.087 -1.553 1.00 0.00 C ATOM 296 O ILE A 23 12.471 -8.769 -2.578 1.00 0.00 O ATOM 297 CB ILE A 23 12.128 -9.705 0.309 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.234 -10.081 1.492 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.569 -9.525 0.763 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.412 -11.510 1.954 1.00 0.00 C ATOM 0 H ILE A 23 10.072 -9.171 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 23 11.653 -7.600 0.357 1.00 0.00 H new ATOM 0 HB ILE A 23 12.096 -10.516 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.445 -9.410 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.192 -9.925 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.919 -10.443 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.197 -9.299 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.625 -8.704 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.747 -11.706 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.172 -12.189 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.445 -11.666 2.264 1.00 0.00 H new ATOM 312 N ILE A 24 13.308 -7.037 -1.410 1.00 0.00 N ATOM 313 CA ILE A 24 14.214 -6.617 -2.472 1.00 0.00 C ATOM 314 C ILE A 24 15.669 -6.747 -2.036 1.00 0.00 C ATOM 315 O ILE A 24 15.966 -6.868 -0.847 1.00 0.00 O ATOM 316 CB ILE A 24 13.945 -5.162 -2.898 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.538 -4.319 -1.687 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.867 -5.114 -3.970 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.168 -2.896 -2.039 1.00 0.00 C ATOM 0 H ILE A 24 13.348 -6.461 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 24 14.032 -7.275 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 24 14.862 -4.746 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.691 -4.794 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.360 -4.306 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.688 -4.079 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.193 -5.684 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.945 -5.545 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.890 -2.357 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.020 -2.404 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.326 -2.900 -2.731 1.00 0.00 H new ATOM 331 N THR A 25 16.577 -6.719 -3.008 1.00 0.00 N ATOM 332 CA THR A 25 18.002 -6.833 -2.726 1.00 0.00 C ATOM 333 C THR A 25 18.799 -5.781 -3.488 1.00 0.00 C ATOM 334 O THR A 25 18.717 -5.693 -4.714 1.00 0.00 O ATOM 335 CB THR A 25 18.537 -8.231 -3.090 1.00 0.00 C ATOM 336 OG1 THR A 25 17.765 -9.239 -2.429 1.00 0.00 O ATOM 337 CG2 THR A 25 20.001 -8.369 -2.700 1.00 0.00 C ATOM 0 H THR A 25 16.350 -6.618 -3.997 1.00 0.00 H new ATOM 0 HA THR A 25 18.126 -6.673 -1.655 1.00 0.00 H new ATOM 0 HB THR A 25 18.451 -8.358 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.111 -10.125 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.356 -9.364 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.590 -7.620 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.107 -8.222 -1.625 1.00 0.00 H new ATOM 345 N LEU A 26 19.572 -4.986 -2.757 1.00 0.00 N ATOM 346 CA LEU A 26 20.386 -3.939 -3.365 1.00 0.00 C ATOM 347 C LEU A 26 21.169 -4.481 -4.556 1.00 0.00 C ATOM 348 O LEU A 26 21.445 -5.677 -4.656 1.00 0.00 O ATOM 349 CB LEU A 26 21.348 -3.349 -2.332 1.00 0.00 C ATOM 350 CG LEU A 26 20.739 -2.367 -1.331 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.825 -1.732 -0.477 1.00 0.00 C ATOM 352 CD2 LEU A 26 19.934 -1.298 -2.055 1.00 0.00 C ATOM 0 H LEU A 26 19.652 -5.046 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 26 19.719 -3.154 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.800 -4.170 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.154 -2.842 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 26 20.066 -2.918 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.372 -1.036 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.358 -2.509 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.524 -1.195 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.508 -0.608 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.586 -0.750 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.131 -1.769 -2.622 1.00 0.00 H new ATOM 364 N PRO A 27 21.539 -3.583 -5.480 1.00 0.00 N ATOM 365 CA PRO A 27 21.216 -2.157 -5.372 1.00 0.00 C ATOM 366 C PRO A 27 19.728 -1.884 -5.560 1.00 0.00 C ATOM 367 O PRO A 27 19.232 -0.817 -5.198 1.00 0.00 O ATOM 368 CB PRO A 27 22.024 -1.523 -6.507 1.00 0.00 C ATOM 369 CG PRO A 27 22.206 -2.618 -7.500 1.00 0.00 C ATOM 370 CD PRO A 27 22.301 -3.889 -6.702 1.00 0.00 C ATOM 0 HA PRO A 27 21.455 -1.758 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.495 -0.676 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.983 -1.150 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.369 -2.656 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.107 -2.461 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.873 -4.735 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.336 -4.145 -6.476 1.00 0.00 H new ATOM 378 N ASP A 28 19.021 -2.854 -6.129 1.00 0.00 N ATOM 379 CA ASP A 28 17.588 -2.719 -6.364 1.00 0.00 C ATOM 380 C ASP A 28 16.871 -2.256 -5.100 1.00 0.00 C ATOM 381 O ASP A 28 16.645 -3.040 -4.180 1.00 0.00 O ATOM 382 CB ASP A 28 17.000 -4.048 -6.841 1.00 0.00 C ATOM 383 CG ASP A 28 17.613 -4.517 -8.145 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.759 -5.012 -8.118 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.947 -4.389 -9.194 1.00 0.00 O ATOM 0 H ASP A 28 19.417 -3.743 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 28 17.442 -1.967 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.157 -4.807 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.923 -3.941 -6.967 1.00 0.00 H new ATOM 390 N ASN A 29 16.517 -0.975 -5.062 1.00 0.00 N ATOM 391 CA ASN A 29 15.827 -0.407 -3.909 1.00 0.00 C ATOM 392 C ASN A 29 14.492 0.206 -4.322 1.00 0.00 C ATOM 393 O ASN A 29 14.009 1.147 -3.693 1.00 0.00 O ATOM 394 CB ASN A 29 16.701 0.654 -3.237 1.00 0.00 C ATOM 395 CG ASN A 29 17.159 1.726 -4.207 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.597 1.878 -5.292 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.185 2.475 -3.820 1.00 0.00 N ATOM 0 H ASN A 29 16.696 -0.311 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 29 15.634 -1.212 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.143 1.118 -2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.573 0.174 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.538 3.212 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.620 2.314 -2.912 1.00 0.00 H new ATOM 404 N GLU A 30 13.902 -0.335 -5.384 1.00 0.00 N ATOM 405 CA GLU A 30 12.623 0.160 -5.880 1.00 0.00 C ATOM 406 C GLU A 30 11.596 -0.967 -5.954 1.00 0.00 C ATOM 407 O GLU A 30 11.876 -2.044 -6.482 1.00 0.00 O ATOM 408 CB GLU A 30 12.798 0.796 -7.260 1.00 0.00 C ATOM 409 CG GLU A 30 13.989 1.735 -7.350 1.00 0.00 C ATOM 410 CD GLU A 30 14.119 2.384 -8.715 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.435 1.665 -9.686 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.905 3.610 -8.812 1.00 0.00 O ATOM 0 H GLU A 30 14.289 -1.115 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 30 12.259 0.915 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.911 0.007 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.892 1.346 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.893 2.511 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.901 1.181 -7.127 1.00 0.00 H new ATOM 419 N VAL A 31 10.406 -0.710 -5.422 1.00 0.00 N ATOM 420 CA VAL A 31 9.336 -1.701 -5.428 1.00 0.00 C ATOM 421 C VAL A 31 7.992 -1.057 -5.748 1.00 0.00 C ATOM 422 O VAL A 31 7.708 0.058 -5.314 1.00 0.00 O ATOM 423 CB VAL A 31 9.235 -2.426 -4.072 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.223 -1.422 -2.929 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.996 -3.308 -4.031 1.00 0.00 C ATOM 0 H VAL A 31 10.158 0.176 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 31 9.582 -2.427 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 31 10.111 -3.064 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.151 -1.952 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.142 -0.837 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.367 -0.756 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.940 -3.813 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.107 -2.693 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.052 -4.051 -4.826 1.00 0.00 H new ATOM 435 N GLU A 32 7.168 -1.769 -6.512 1.00 0.00 N ATOM 436 CA GLU A 32 5.853 -1.265 -6.891 1.00 0.00 C ATOM 437 C GLU A 32 4.748 -2.047 -6.187 1.00 0.00 C ATOM 438 O GLU A 32 4.446 -3.184 -6.552 1.00 0.00 O ATOM 439 CB GLU A 32 5.667 -1.352 -8.407 1.00 0.00 C ATOM 440 CG GLU A 32 4.233 -1.135 -8.858 1.00 0.00 C ATOM 441 CD GLU A 32 4.126 -0.833 -10.340 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.133 -0.388 -10.929 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.034 -1.041 -10.910 1.00 0.00 O ATOM 0 H GLU A 32 7.388 -2.695 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 32 5.789 -0.221 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.306 -0.610 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.003 -2.331 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.646 -2.024 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.799 -0.312 -8.291 1.00 0.00 H new ATOM 450 N LEU A 33 4.147 -1.429 -5.175 1.00 0.00 N ATOM 451 CA LEU A 33 3.075 -2.066 -4.418 1.00 0.00 C ATOM 452 C LEU A 33 1.715 -1.754 -5.033 1.00 0.00 C ATOM 453 O LEU A 33 1.585 -0.842 -5.851 1.00 0.00 O ATOM 454 CB LEU A 33 3.107 -1.602 -2.961 1.00 0.00 C ATOM 455 CG LEU A 33 4.439 -1.775 -2.231 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.551 -0.786 -1.081 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.588 -3.203 -1.724 1.00 0.00 C ATOM 0 H LEU A 33 4.384 -0.488 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 33 3.230 -3.144 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.833 -0.547 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.340 -2.147 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 33 5.246 -1.574 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.506 -0.925 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.490 0.231 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.737 -0.955 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.542 -3.308 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.775 -3.431 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.554 -3.894 -2.567 1.00 0.00 H new ATOM 469 N LYS A 34 0.702 -2.516 -4.634 1.00 0.00 N ATOM 470 CA LYS A 34 -0.651 -2.319 -5.142 1.00 0.00 C ATOM 471 C LYS A 34 -1.680 -2.493 -4.030 1.00 0.00 C ATOM 472 O LYS A 34 -1.421 -3.162 -3.030 1.00 0.00 O ATOM 473 CB LYS A 34 -0.939 -3.305 -6.277 1.00 0.00 C ATOM 474 CG LYS A 34 -2.218 -3.000 -7.037 1.00 0.00 C ATOM 475 CD LYS A 34 -2.266 -3.735 -8.366 1.00 0.00 C ATOM 476 CE LYS A 34 -1.598 -2.932 -9.471 1.00 0.00 C ATOM 477 NZ LYS A 34 -1.459 -3.724 -10.725 1.00 0.00 N ATOM 0 H LYS A 34 0.792 -3.276 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.725 -1.301 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.101 -3.298 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.002 -4.312 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.079 -3.285 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.292 -1.927 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.771 -4.701 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.303 -3.934 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.182 -2.034 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.613 -2.604 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.999 -3.142 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.880 -4.568 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.400 -4.016 -11.058 1.00 0.00 H new ATOM 491 N ALA A 35 -2.849 -1.888 -4.213 1.00 0.00 N ATOM 492 CA ALA A 35 -3.919 -1.979 -3.227 1.00 0.00 C ATOM 493 C ALA A 35 -5.194 -2.535 -3.850 1.00 0.00 C ATOM 494 O ALA A 35 -5.796 -1.907 -4.722 1.00 0.00 O ATOM 495 CB ALA A 35 -4.183 -0.614 -2.608 1.00 0.00 C ATOM 0 H ALA A 35 -3.079 -1.330 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.600 -2.666 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.984 -0.696 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.278 -0.255 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.477 0.089 -3.388 1.00 0.00 H new ATOM 501 N PHE A 36 -5.602 -3.716 -3.398 1.00 0.00 N ATOM 502 CA PHE A 36 -6.806 -4.358 -3.913 1.00 0.00 C ATOM 503 C PHE A 36 -7.961 -4.221 -2.925 1.00 0.00 C ATOM 504 O PHE A 36 -7.838 -4.584 -1.755 1.00 0.00 O ATOM 505 CB PHE A 36 -6.538 -5.837 -4.200 1.00 0.00 C ATOM 506 CG PHE A 36 -5.896 -6.082 -5.536 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.659 -6.105 -6.692 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.530 -6.289 -5.635 1.00 0.00 C ATOM 509 CE1 PHE A 36 -6.072 -6.330 -7.923 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.937 -6.514 -6.863 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.709 -6.536 -8.008 1.00 0.00 C ATOM 0 H PHE A 36 -5.116 -4.248 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.084 -3.859 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.895 -6.240 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.479 -6.384 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.725 -5.945 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.922 -6.274 -4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.678 -6.345 -8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.871 -6.673 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.248 -6.714 -8.968 1.00 0.00 H new ATOM 521 N VAL A 37 -9.083 -3.693 -3.405 1.00 0.00 N ATOM 522 CA VAL A 37 -10.260 -3.508 -2.565 1.00 0.00 C ATOM 523 C VAL A 37 -11.386 -4.447 -2.983 1.00 0.00 C ATOM 524 O VAL A 37 -11.664 -4.610 -4.171 1.00 0.00 O ATOM 525 CB VAL A 37 -10.769 -2.056 -2.625 1.00 0.00 C ATOM 526 CG1 VAL A 37 -12.009 -1.888 -1.760 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.675 -1.090 -2.194 1.00 0.00 C ATOM 0 H VAL A 37 -9.201 -3.386 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.959 -3.738 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.040 -1.827 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.354 -0.855 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.795 -2.553 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.768 -2.135 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.052 -0.068 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.371 -1.317 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.817 -1.192 -2.858 1.00 0.00 H new ATOM 537 N ALA A 38 -12.032 -5.062 -1.998 1.00 0.00 N ATOM 538 CA ALA A 38 -13.131 -5.983 -2.263 1.00 0.00 C ATOM 539 C ALA A 38 -14.372 -5.602 -1.464 1.00 0.00 C ATOM 540 O ALA A 38 -14.328 -5.437 -0.244 1.00 0.00 O ATOM 541 CB ALA A 38 -12.712 -7.410 -1.942 1.00 0.00 C ATOM 0 H ALA A 38 -11.814 -4.939 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.379 -5.918 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.542 -8.087 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.859 -7.687 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.435 -7.480 -0.890 1.00 0.00 H new ATOM 547 N PRO A 39 -15.507 -5.457 -2.164 1.00 0.00 N ATOM 548 CA PRO A 39 -15.571 -5.650 -3.616 1.00 0.00 C ATOM 549 C PRO A 39 -14.843 -4.548 -4.380 1.00 0.00 C ATOM 550 O PRO A 39 -14.535 -3.495 -3.824 1.00 0.00 O ATOM 551 CB PRO A 39 -17.071 -5.605 -3.914 1.00 0.00 C ATOM 552 CG PRO A 39 -17.654 -4.798 -2.805 1.00 0.00 C ATOM 553 CD PRO A 39 -16.814 -5.093 -1.593 1.00 0.00 C ATOM 0 HA PRO A 39 -15.089 -6.577 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.268 -5.147 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.499 -6.607 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.635 -3.735 -3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.696 -5.067 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.738 -4.226 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.234 -5.906 -1.001 1.00 0.00 H new ATOM 561 N ALA A 40 -14.572 -4.800 -5.656 1.00 0.00 N ATOM 562 CA ALA A 40 -13.883 -3.828 -6.496 1.00 0.00 C ATOM 563 C ALA A 40 -14.845 -2.758 -7.000 1.00 0.00 C ATOM 564 O ALA A 40 -16.003 -3.029 -7.317 1.00 0.00 O ATOM 565 CB ALA A 40 -13.208 -4.528 -7.667 1.00 0.00 C ATOM 0 H ALA A 40 -14.819 -5.668 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.120 -3.337 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.697 -3.791 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.484 -5.250 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.959 -5.045 -8.264 1.00 0.00 H new ATOM 571 N PRO A 41 -14.356 -1.511 -7.076 1.00 0.00 N ATOM 572 CA PRO A 41 -15.157 -0.374 -7.541 1.00 0.00 C ATOM 573 C PRO A 41 -15.462 -0.451 -9.033 1.00 0.00 C ATOM 574 O PRO A 41 -14.685 -0.988 -9.823 1.00 0.00 O ATOM 575 CB PRO A 41 -14.267 0.834 -7.238 1.00 0.00 C ATOM 576 CG PRO A 41 -12.880 0.292 -7.237 1.00 0.00 C ATOM 577 CD PRO A 41 -12.985 -1.115 -6.715 1.00 0.00 C ATOM 0 HA PRO A 41 -16.131 -0.335 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.387 1.613 -7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.519 1.280 -6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.455 0.305 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.226 0.894 -6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.244 -1.770 -7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.825 -1.157 -5.638 1.00 0.00 H new ATOM 585 N PRO A 42 -16.619 0.099 -9.431 1.00 0.00 N ATOM 586 CA PRO A 42 -17.051 0.106 -10.831 1.00 0.00 C ATOM 587 C PRO A 42 -16.202 1.031 -11.696 1.00 0.00 C ATOM 588 O PRO A 42 -15.110 1.439 -11.299 1.00 0.00 O ATOM 589 CB PRO A 42 -18.492 0.619 -10.755 1.00 0.00 C ATOM 590 CG PRO A 42 -18.541 1.423 -9.502 1.00 0.00 C ATOM 591 CD PRO A 42 -17.593 0.756 -8.544 1.00 0.00 C ATOM 0 HA PRO A 42 -16.957 -0.878 -11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.743 1.226 -11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.205 -0.205 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.245 2.455 -9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.552 1.450 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.113 1.479 -7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.106 0.036 -7.907 1.00 0.00 H new ATOM 599 N VAL A 43 -16.709 1.358 -12.880 1.00 0.00 N ATOM 600 CA VAL A 43 -15.997 2.237 -13.800 1.00 0.00 C ATOM 601 C VAL A 43 -16.208 3.702 -13.435 1.00 0.00 C ATOM 602 O VAL A 43 -15.335 4.539 -13.663 1.00 0.00 O ATOM 603 CB VAL A 43 -16.451 2.011 -15.255 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.960 2.159 -15.373 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.738 2.976 -16.190 1.00 0.00 C ATOM 0 H VAL A 43 -17.610 1.027 -13.225 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.938 1.994 -13.715 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.186 0.995 -15.547 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.262 1.996 -16.408 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.449 1.425 -14.732 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.252 3.162 -15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.070 2.803 -17.214 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.971 4.001 -15.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.662 2.816 -16.126 1.00 0.00 H new ATOM 615 N GLU A 44 -17.371 4.003 -12.866 1.00 0.00 N ATOM 616 CA GLU A 44 -17.695 5.369 -12.470 1.00 0.00 C ATOM 617 C GLU A 44 -17.214 5.651 -11.049 1.00 0.00 C ATOM 618 O GLU A 44 -16.356 6.507 -10.830 1.00 0.00 O ATOM 619 CB GLU A 44 -19.203 5.606 -12.566 1.00 0.00 C ATOM 620 CG GLU A 44 -19.708 5.749 -13.992 1.00 0.00 C ATOM 621 CD GLU A 44 -19.612 7.173 -14.505 1.00 0.00 C ATOM 622 OE1 GLU A 44 -19.556 8.101 -13.670 1.00 0.00 O ATOM 623 OE2 GLU A 44 -19.593 7.360 -15.739 1.00 0.00 O ATOM 0 H GLU A 44 -18.103 3.321 -12.669 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.183 6.050 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.724 4.777 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.457 6.507 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.133 5.092 -14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.745 5.418 -14.041 1.00 0.00 H new ATOM 630 N THR A 45 -17.773 4.926 -10.086 1.00 0.00 N ATOM 631 CA THR A 45 -17.404 5.099 -8.687 1.00 0.00 C ATOM 632 C THR A 45 -16.013 4.538 -8.412 1.00 0.00 C ATOM 633 O THR A 45 -15.731 3.377 -8.707 1.00 0.00 O ATOM 634 CB THR A 45 -18.416 4.413 -7.749 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.751 4.758 -8.134 1.00 0.00 O ATOM 636 CG2 THR A 45 -18.177 4.821 -6.304 1.00 0.00 C ATOM 0 H THR A 45 -18.484 4.213 -10.249 1.00 0.00 H new ATOM 0 HA THR A 45 -17.407 6.171 -8.490 1.00 0.00 H new ATOM 0 HB THR A 45 -18.282 3.334 -7.831 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.389 4.317 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.903 4.324 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.170 4.530 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.286 5.901 -6.208 1.00 0.00 H new ATOM 644 N THR A 46 -15.146 5.371 -7.844 1.00 0.00 N ATOM 645 CA THR A 46 -13.784 4.958 -7.529 1.00 0.00 C ATOM 646 C THR A 46 -13.423 5.307 -6.090 1.00 0.00 C ATOM 647 O THR A 46 -13.978 6.239 -5.508 1.00 0.00 O ATOM 648 CB THR A 46 -12.765 5.618 -8.477 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.447 5.135 -8.191 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.796 7.132 -8.336 1.00 0.00 C ATOM 0 H THR A 46 -15.363 6.335 -7.593 1.00 0.00 H new ATOM 0 HA THR A 46 -13.743 3.877 -7.658 1.00 0.00 H new ATOM 0 HB THR A 46 -13.034 5.359 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.805 5.558 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.068 7.576 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.792 7.500 -8.581 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.550 7.407 -7.310 1.00 0.00 H new ATOM 658 N TYR A 47 -12.489 4.553 -5.520 1.00 0.00 N ATOM 659 CA TYR A 47 -12.055 4.781 -4.147 1.00 0.00 C ATOM 660 C TYR A 47 -10.753 5.577 -4.113 1.00 0.00 C ATOM 661 O TYR A 47 -10.142 5.834 -5.149 1.00 0.00 O ATOM 662 CB TYR A 47 -11.870 3.448 -3.420 1.00 0.00 C ATOM 663 CG TYR A 47 -13.096 2.565 -3.455 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.360 3.086 -3.210 1.00 0.00 C ATOM 665 CD2 TYR A 47 -12.991 1.208 -3.735 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.483 2.282 -3.240 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.108 0.396 -3.769 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.352 0.938 -3.520 1.00 0.00 C ATOM 669 OH TYR A 47 -16.469 0.134 -3.553 1.00 0.00 O ATOM 0 H TYR A 47 -12.018 3.779 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.827 5.359 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.033 2.912 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.603 3.644 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.467 4.138 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.019 0.780 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.458 2.704 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.008 -0.657 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.204 -0.785 -3.765 1.00 0.00 H new ATOM 679 N ASN A 48 -10.335 5.963 -2.912 1.00 0.00 N ATOM 680 CA ASN A 48 -9.106 6.729 -2.741 1.00 0.00 C ATOM 681 C ASN A 48 -8.022 5.879 -2.084 1.00 0.00 C ATOM 682 O ASN A 48 -8.271 5.196 -1.090 1.00 0.00 O ATOM 683 CB ASN A 48 -9.372 7.978 -1.897 1.00 0.00 C ATOM 684 CG ASN A 48 -10.001 9.097 -2.704 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.627 9.336 -3.852 1.00 0.00 O ATOM 686 ND2 ASN A 48 -10.963 9.789 -2.104 1.00 0.00 N ATOM 0 H ASN A 48 -10.829 5.758 -2.043 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.756 7.033 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.029 7.719 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.434 8.328 -1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.424 10.554 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.241 9.555 -1.151 1.00 0.00 H new ATOM 693 N TYR A 49 -6.819 5.927 -2.645 1.00 0.00 N ATOM 694 CA TYR A 49 -5.698 5.161 -2.116 1.00 0.00 C ATOM 695 C TYR A 49 -4.694 6.075 -1.420 1.00 0.00 C ATOM 696 O TYR A 49 -3.993 6.851 -2.068 1.00 0.00 O ATOM 697 CB TYR A 49 -5.006 4.386 -3.239 1.00 0.00 C ATOM 698 CG TYR A 49 -5.958 3.579 -4.093 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.350 2.301 -3.712 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.465 4.093 -5.280 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.218 1.560 -4.489 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.335 3.359 -6.062 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.709 2.093 -5.663 1.00 0.00 C ATOM 704 OH TYR A 49 -8.574 1.358 -6.440 1.00 0.00 O ATOM 0 H TYR A 49 -6.595 6.489 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.088 4.454 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.467 5.088 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.265 3.716 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.969 1.881 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.174 5.084 -5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.511 0.568 -4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.721 3.774 -6.981 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.062 0.821 -7.080 1.00 0.00 H new ATOM 714 N GLU A 50 -4.630 5.974 -0.096 1.00 0.00 N ATOM 715 CA GLU A 50 -3.712 6.791 0.689 1.00 0.00 C ATOM 716 C GLU A 50 -2.710 5.918 1.437 1.00 0.00 C ATOM 717 O GLU A 50 -3.049 5.282 2.435 1.00 0.00 O ATOM 718 CB GLU A 50 -4.488 7.661 1.680 1.00 0.00 C ATOM 719 CG GLU A 50 -3.598 8.423 2.647 1.00 0.00 C ATOM 720 CD GLU A 50 -4.313 8.788 3.934 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.023 7.922 4.486 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.163 9.942 4.388 1.00 0.00 O ATOM 0 H GLU A 50 -5.203 5.335 0.455 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.163 7.436 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.100 8.372 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.171 7.029 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.722 7.819 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.239 9.332 2.165 1.00 0.00 H new ATOM 729 N TRP A 51 -1.475 5.892 0.948 1.00 0.00 N ATOM 730 CA TRP A 51 -0.423 5.096 1.570 1.00 0.00 C ATOM 731 C TRP A 51 0.303 5.898 2.644 1.00 0.00 C ATOM 732 O TRP A 51 0.356 7.126 2.585 1.00 0.00 O ATOM 733 CB TRP A 51 0.573 4.615 0.514 1.00 0.00 C ATOM 734 CG TRP A 51 0.006 3.578 -0.408 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.629 3.797 -1.597 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.022 2.159 -0.216 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.009 2.601 -2.155 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.620 1.581 -1.328 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.518 1.321 0.787 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.779 0.204 -1.462 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.360 -0.045 0.652 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.284 -0.593 -0.466 1.00 0.00 C ATOM 0 H TRP A 51 -1.178 6.413 0.123 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.888 4.230 2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.909 5.469 -0.074 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.452 4.206 1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.806 4.768 -2.034 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.501 2.490 -3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.016 1.734 1.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.276 -0.220 -2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.739 -0.702 1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.392 -1.665 -0.543 1.00 0.00 H new ATOM 753 N ASN A 52 0.863 5.196 3.624 1.00 0.00 N ATOM 754 CA ASN A 52 1.587 5.844 4.712 1.00 0.00 C ATOM 755 C ASN A 52 2.565 4.875 5.368 1.00 0.00 C ATOM 756 O ASN A 52 2.358 3.661 5.353 1.00 0.00 O ATOM 757 CB ASN A 52 0.606 6.382 5.756 1.00 0.00 C ATOM 758 CG ASN A 52 0.056 7.745 5.385 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.707 8.768 5.599 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.148 7.766 4.826 1.00 0.00 N ATOM 0 H ASN A 52 0.829 4.179 3.687 1.00 0.00 H new ATOM 0 HA ASN A 52 2.154 6.676 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.219 5.679 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.107 6.446 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.569 8.655 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.652 6.893 4.667 1.00 0.00 H new ATOM 767 N LEU A 53 3.631 5.419 5.944 1.00 0.00 N ATOM 768 CA LEU A 53 4.642 4.602 6.607 1.00 0.00 C ATOM 769 C LEU A 53 4.548 4.743 8.123 1.00 0.00 C ATOM 770 O LEU A 53 4.899 5.782 8.683 1.00 0.00 O ATOM 771 CB LEU A 53 6.041 5.003 6.133 1.00 0.00 C ATOM 772 CG LEU A 53 7.206 4.229 6.751 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.216 2.792 6.254 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.528 4.914 6.435 1.00 0.00 C ATOM 0 H LEU A 53 3.818 6.421 5.966 1.00 0.00 H new ATOM 0 HA LEU A 53 4.460 3.560 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.084 4.883 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.184 6.063 6.342 1.00 0.00 H new ATOM 0 HG LEU A 53 7.075 4.216 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.052 2.257 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.281 2.305 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.322 2.783 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.346 4.350 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.666 4.958 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.520 5.925 6.841 1.00 0.00 H new ATOM 786 N ILE A 54 4.073 3.691 8.781 1.00 0.00 N ATOM 787 CA ILE A 54 3.936 3.697 10.232 1.00 0.00 C ATOM 788 C ILE A 54 5.111 2.989 10.899 1.00 0.00 C ATOM 789 O ILE A 54 5.526 3.354 11.999 1.00 0.00 O ATOM 790 CB ILE A 54 2.626 3.021 10.677 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.482 1.651 10.010 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.434 3.906 10.344 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.812 1.706 8.655 1.00 0.00 C ATOM 0 H ILE A 54 3.777 2.824 8.333 1.00 0.00 H new ATOM 0 HA ILE A 54 3.920 4.742 10.542 1.00 0.00 H new ATOM 0 HB ILE A 54 2.657 2.877 11.757 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.470 1.204 9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.907 0.996 10.664 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.515 3.415 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.534 4.861 10.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.397 4.077 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.744 0.700 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.811 2.123 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.398 2.335 7.985 1.00 0.00 H new ATOM 805 N SER A 55 5.645 1.977 10.223 1.00 0.00 N ATOM 806 CA SER A 55 6.772 1.216 10.750 1.00 0.00 C ATOM 807 C SER A 55 8.011 1.408 9.881 1.00 0.00 C ATOM 808 O SER A 55 8.024 1.037 8.707 1.00 0.00 O ATOM 809 CB SER A 55 6.418 -0.270 10.832 1.00 0.00 C ATOM 810 OG SER A 55 7.108 -0.901 11.897 1.00 0.00 O ATOM 0 H SER A 55 5.316 1.665 9.309 1.00 0.00 H new ATOM 0 HA SER A 55 6.991 1.586 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.343 -0.384 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.670 -0.759 9.891 1.00 0.00 H new ATOM 0 HG SER A 55 6.863 -1.849 11.929 1.00 0.00 H new ATOM 816 N HIS A 56 9.052 1.992 10.467 1.00 0.00 N ATOM 817 CA HIS A 56 10.298 2.234 9.747 1.00 0.00 C ATOM 818 C HIS A 56 11.472 2.343 10.715 1.00 0.00 C ATOM 819 O HIS A 56 11.348 2.866 11.823 1.00 0.00 O ATOM 820 CB HIS A 56 10.189 3.510 8.912 1.00 0.00 C ATOM 821 CG HIS A 56 10.034 4.752 9.734 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.105 5.472 10.221 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.923 5.403 10.153 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.660 6.510 10.905 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.339 6.492 10.879 1.00 0.00 N ATOM 0 H HIS A 56 9.058 2.306 11.437 1.00 0.00 H new ATOM 0 HA HIS A 56 10.476 1.388 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.079 3.605 8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.337 3.422 8.238 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.087 5.239 10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.900 5.119 9.953 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.272 7.249 11.402 1.00 0.00 H new ATOM 834 N PRO A 57 12.640 1.839 10.289 1.00 0.00 N ATOM 835 CA PRO A 57 13.859 1.868 11.103 1.00 0.00 C ATOM 836 C PRO A 57 14.414 3.279 11.263 1.00 0.00 C ATOM 837 O PRO A 57 14.159 4.157 10.438 1.00 0.00 O ATOM 838 CB PRO A 57 14.835 0.996 10.310 1.00 0.00 C ATOM 839 CG PRO A 57 14.356 1.075 8.902 1.00 0.00 C ATOM 840 CD PRO A 57 12.860 1.202 8.979 1.00 0.00 C ATOM 0 HA PRO A 57 13.680 1.516 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.857 1.363 10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.831 -0.032 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.794 1.931 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.644 0.185 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.466 1.810 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.370 0.230 8.917 1.00 0.00 H new ATOM 848 N THR A 58 15.177 3.492 12.332 1.00 0.00 N ATOM 849 CA THR A 58 15.769 4.796 12.601 1.00 0.00 C ATOM 850 C THR A 58 16.784 5.172 11.528 1.00 0.00 C ATOM 851 O THR A 58 17.091 6.348 11.335 1.00 0.00 O ATOM 852 CB THR A 58 16.459 4.826 13.978 1.00 0.00 C ATOM 853 OG1 THR A 58 16.492 6.167 14.480 1.00 0.00 O ATOM 854 CG2 THR A 58 17.875 4.279 13.885 1.00 0.00 C ATOM 0 H THR A 58 15.399 2.777 13.025 1.00 0.00 H new ATOM 0 HA THR A 58 14.954 5.520 12.595 1.00 0.00 H new ATOM 0 HB THR A 58 15.887 4.197 14.661 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.931 6.178 15.356 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.342 4.310 14.869 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.845 3.249 13.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.454 4.886 13.189 1.00 0.00 H new ATOM 862 N ASP A 59 17.301 4.165 10.832 1.00 0.00 N ATOM 863 CA ASP A 59 18.282 4.391 9.776 1.00 0.00 C ATOM 864 C ASP A 59 17.644 5.099 8.584 1.00 0.00 C ATOM 865 O ASP A 59 18.325 5.778 7.816 1.00 0.00 O ATOM 866 CB ASP A 59 18.894 3.063 9.328 1.00 0.00 C ATOM 867 CG ASP A 59 19.741 2.422 10.409 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.520 3.148 11.062 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.625 1.194 10.604 1.00 0.00 O ATOM 0 H ASP A 59 17.058 3.186 10.980 1.00 0.00 H new ATOM 0 HA ASP A 59 19.070 5.029 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.097 2.377 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.506 3.229 8.442 1.00 0.00 H new ATOM 874 N TYR A 60 16.334 4.934 8.437 1.00 0.00 N ATOM 875 CA TYR A 60 15.605 5.555 7.337 1.00 0.00 C ATOM 876 C TYR A 60 14.863 6.801 7.810 1.00 0.00 C ATOM 877 O TYR A 60 14.297 6.822 8.903 1.00 0.00 O ATOM 878 CB TYR A 60 14.617 4.560 6.727 1.00 0.00 C ATOM 879 CG TYR A 60 14.077 4.990 5.382 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.903 5.048 4.266 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.741 5.339 5.226 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.415 5.441 3.035 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.244 5.732 3.999 1.00 0.00 C ATOM 884 CZ TYR A 60 13.084 5.781 2.907 1.00 0.00 C ATOM 885 OH TYR A 60 12.593 6.173 1.682 1.00 0.00 O ATOM 0 H TYR A 60 15.756 4.376 9.065 1.00 0.00 H new ATOM 0 HA TYR A 60 16.328 5.852 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.108 3.593 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.784 4.420 7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.945 4.781 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.080 5.302 6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.071 5.482 2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.203 6.000 3.895 1.00 0.00 H new ATOM 0 HH TYR A 60 11.638 6.377 1.762 1.00 0.00 H new ATOM 934 N ILE A 64 7.885 9.358 1.323 1.00 0.00 N ATOM 935 CA ILE A 64 6.932 8.691 0.445 1.00 0.00 C ATOM 936 C ILE A 64 5.828 9.647 0.006 1.00 0.00 C ATOM 937 O ILE A 64 5.509 10.609 0.705 1.00 0.00 O ATOM 938 CB ILE A 64 6.294 7.469 1.132 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.377 6.572 1.735 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.443 6.689 0.141 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.837 5.529 2.687 1.00 0.00 C ATOM 0 HA ILE A 64 7.489 8.356 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 64 5.649 7.819 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.914 6.073 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.100 7.194 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.999 5.828 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.652 7.332 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.067 6.347 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.661 4.930 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.325 6.021 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.136 4.883 2.159 1.00 0.00 H new ATOM 953 N LYS A 65 5.246 9.375 -1.157 1.00 0.00 N ATOM 954 CA LYS A 65 4.174 10.208 -1.691 1.00 0.00 C ATOM 955 C LYS A 65 2.809 9.613 -1.363 1.00 0.00 C ATOM 956 O LYS A 65 1.839 9.825 -2.091 1.00 0.00 O ATOM 957 CB LYS A 65 4.326 10.361 -3.206 1.00 0.00 C ATOM 958 CG LYS A 65 5.600 11.077 -3.620 1.00 0.00 C ATOM 959 CD LYS A 65 5.491 12.578 -3.404 1.00 0.00 C ATOM 960 CE LYS A 65 4.660 13.239 -4.493 1.00 0.00 C ATOM 961 NZ LYS A 65 4.131 14.562 -4.061 1.00 0.00 N ATOM 0 H LYS A 65 5.499 8.583 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 65 4.244 11.191 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.308 9.373 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.468 10.909 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.441 10.686 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.808 10.874 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.041 12.775 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.488 13.018 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.269 13.366 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.830 12.586 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.570 14.980 -4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.529 14.438 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.924 15.194 -3.828 1.00 0.00 H new ATOM 975 N GLN A 66 2.740 8.869 -0.264 1.00 0.00 N ATOM 976 CA GLN A 66 1.492 8.245 0.159 1.00 0.00 C ATOM 977 C GLN A 66 0.750 7.649 -1.033 1.00 0.00 C ATOM 978 O GLN A 66 -0.473 7.519 -1.014 1.00 0.00 O ATOM 979 CB GLN A 66 0.602 9.265 0.870 1.00 0.00 C ATOM 980 CG GLN A 66 1.234 9.856 2.121 1.00 0.00 C ATOM 981 CD GLN A 66 0.760 11.268 2.402 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.093 11.803 1.692 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.311 11.881 3.443 1.00 0.00 N ATOM 0 H GLN A 66 3.533 8.684 0.350 1.00 0.00 H new ATOM 0 HA GLN A 66 1.735 7.440 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.364 10.072 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.340 8.788 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.001 9.221 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.318 9.856 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.014 11.400 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.031 12.832 3.681 1.00 0.00 H new ATOM 992 N GLY A 67 1.499 7.290 -2.071 1.00 0.00 N ATOM 993 CA GLY A 67 0.895 6.713 -3.258 1.00 0.00 C ATOM 994 C GLY A 67 -0.503 7.241 -3.512 1.00 0.00 C ATOM 995 O GLY A 67 -1.486 6.671 -3.038 1.00 0.00 O ATOM 0 H GLY A 67 2.513 7.388 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.524 6.927 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.857 5.629 -3.152 1.00 0.00 H new ATOM 999 N HIS A 68 -0.593 8.336 -4.261 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.881 8.943 -4.577 1.00 0.00 C ATOM 1001 C HIS A 68 -2.696 8.039 -5.497 1.00 0.00 C ATOM 1002 O HIS A 68 -3.838 8.349 -5.837 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.678 10.309 -5.232 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.427 11.413 -4.252 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.039 11.187 -2.948 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.509 12.756 -4.391 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.895 12.344 -2.327 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.173 13.313 -3.181 1.00 0.00 N ATOM 0 H HIS A 68 0.211 8.821 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.432 9.074 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.837 10.250 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.560 10.553 -5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.787 13.291 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.600 12.475 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.143 14.312 -2.975 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.101 6.921 -5.899 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.771 5.971 -6.780 1.00 0.00 C ATOM 1019 C LYS A 69 -2.935 4.618 -6.096 1.00 0.00 C ATOM 1020 O LYS A 69 -2.607 4.463 -4.920 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.981 5.806 -8.080 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.258 6.895 -9.102 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.509 6.595 -9.911 1.00 0.00 C ATOM 1024 CE LYS A 69 -4.032 7.841 -10.610 1.00 0.00 C ATOM 1025 NZ LYS A 69 -2.976 8.505 -11.423 1.00 0.00 N ATOM 0 H LYS A 69 -1.155 6.650 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.761 6.363 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.916 5.798 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.219 4.837 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.373 7.852 -8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.404 6.992 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.289 5.826 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.281 6.194 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.870 7.572 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.413 8.542 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.406 9.245 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.270 8.934 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.513 7.801 -12.033 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.443 3.641 -6.842 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.648 2.301 -6.307 1.00 0.00 C ATOM 1041 C GLN A 70 -2.320 1.570 -6.143 1.00 0.00 C ATOM 1042 O GLN A 70 -2.262 0.487 -5.559 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.575 1.500 -7.223 1.00 0.00 C ATOM 1044 CG GLN A 70 -5.004 0.164 -6.637 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.873 -0.638 -7.587 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.796 -0.103 -8.202 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.582 -1.927 -7.710 1.00 0.00 N ATOM 0 H GLN A 70 -3.720 3.753 -7.817 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.112 2.397 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.463 2.095 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.071 1.325 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.118 -0.418 -6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.550 0.337 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.808 -2.328 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.133 -2.517 -8.334 1.00 0.00 H new ATOM 1056 N THR A 71 -1.253 2.168 -6.663 1.00 0.00 N ATOM 1057 CA THR A 71 0.075 1.574 -6.577 1.00 0.00 C ATOM 1058 C THR A 71 1.072 2.543 -5.951 1.00 0.00 C ATOM 1059 O THR A 71 1.089 3.730 -6.280 1.00 0.00 O ATOM 1060 CB THR A 71 0.592 1.148 -7.964 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.167 2.090 -8.955 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.087 -0.240 -8.327 1.00 0.00 C ATOM 0 H THR A 71 -1.283 3.064 -7.149 1.00 0.00 H new ATOM 0 HA THR A 71 -0.015 0.691 -5.945 1.00 0.00 H new ATOM 0 HB THR A 71 1.681 1.123 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.501 1.813 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.465 -0.519 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.436 -0.959 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.003 -0.238 -8.345 1.00 0.00 H new ATOM 1070 N LEU A 72 1.901 2.031 -5.049 1.00 0.00 N ATOM 1071 CA LEU A 72 2.902 2.852 -4.377 1.00 0.00 C ATOM 1072 C LEU A 72 4.312 2.427 -4.776 1.00 0.00 C ATOM 1073 O LEU A 72 4.729 1.300 -4.510 1.00 0.00 O ATOM 1074 CB LEU A 72 2.737 2.753 -2.859 1.00 0.00 C ATOM 1075 CG LEU A 72 3.117 4.000 -2.060 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.266 3.664 -0.585 1.00 0.00 C ATOM 1077 CD2 LEU A 72 4.402 4.610 -2.602 1.00 0.00 C ATOM 0 H LEU A 72 1.900 1.051 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 72 2.753 3.887 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.697 2.510 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.341 1.919 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 72 2.317 4.733 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.537 4.564 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.322 3.274 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.046 2.913 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.657 5.496 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.210 3.882 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.260 4.889 -3.646 1.00 0.00 H new ATOM 1089 N ASN A 73 5.041 3.337 -5.412 1.00 0.00 N ATOM 1090 CA ASN A 73 6.405 3.056 -5.846 1.00 0.00 C ATOM 1091 C ASN A 73 7.419 3.689 -4.897 1.00 0.00 C ATOM 1092 O ASN A 73 7.306 4.864 -4.544 1.00 0.00 O ATOM 1093 CB ASN A 73 6.628 3.576 -7.268 1.00 0.00 C ATOM 1094 CG ASN A 73 6.342 2.522 -8.320 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.170 2.259 -9.192 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.165 1.912 -8.242 1.00 0.00 N ATOM 0 H ASN A 73 4.711 4.275 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 73 6.548 1.975 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.987 4.441 -7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.658 3.917 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.917 1.193 -8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.509 2.162 -7.502 1.00 0.00 H new ATOM 1103 N LEU A 74 8.408 2.903 -4.488 1.00 0.00 N ATOM 1104 CA LEU A 74 9.444 3.386 -3.580 1.00 0.00 C ATOM 1105 C LEU A 74 10.777 3.537 -4.306 1.00 0.00 C ATOM 1106 O LEU A 74 11.044 2.842 -5.286 1.00 0.00 O ATOM 1107 CB LEU A 74 9.599 2.428 -2.398 1.00 0.00 C ATOM 1108 CG LEU A 74 8.719 2.715 -1.181 1.00 0.00 C ATOM 1109 CD1 LEU A 74 8.920 4.145 -0.702 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.255 2.463 -1.511 1.00 0.00 C ATOM 0 H LEU A 74 8.515 1.929 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 74 9.141 4.365 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.386 1.417 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.641 2.442 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 74 9.012 2.040 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.286 4.331 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.964 4.293 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.655 4.837 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.643 2.672 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.949 3.114 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.122 1.422 -1.806 1.00 0.00 H new ATOM 1122 N SER A 75 11.611 4.449 -3.817 1.00 0.00 N ATOM 1123 CA SER A 75 12.916 4.693 -4.420 1.00 0.00 C ATOM 1124 C SER A 75 13.935 5.102 -3.361 1.00 0.00 C ATOM 1125 O SER A 75 13.573 5.613 -2.301 1.00 0.00 O ATOM 1126 CB SER A 75 12.812 5.781 -5.490 1.00 0.00 C ATOM 1127 OG SER A 75 12.761 7.070 -4.905 1.00 0.00 O ATOM 0 H SER A 75 11.406 5.031 -3.005 1.00 0.00 H new ATOM 0 HA SER A 75 13.252 3.767 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.668 5.717 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.920 5.617 -6.094 1.00 0.00 H new ATOM 0 HG SER A 75 12.696 7.747 -5.611 1.00 0.00 H new ATOM 1133 N GLN A 76 15.211 4.874 -3.657 1.00 0.00 N ATOM 1134 CA GLN A 76 16.283 5.218 -2.730 1.00 0.00 C ATOM 1135 C GLN A 76 16.018 4.630 -1.348 1.00 0.00 C ATOM 1136 O GLN A 76 16.320 5.252 -0.329 1.00 0.00 O ATOM 1137 CB GLN A 76 16.432 6.737 -2.631 1.00 0.00 C ATOM 1138 CG GLN A 76 16.923 7.385 -3.916 1.00 0.00 C ATOM 1139 CD GLN A 76 17.149 8.877 -3.768 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.405 9.687 -4.319 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.182 9.247 -3.019 1.00 0.00 N ATOM 0 H GLN A 76 15.527 4.453 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 76 17.211 4.793 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.470 7.171 -2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.127 6.974 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.854 6.909 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.196 7.208 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.773 8.541 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.384 10.237 -2.882 1.00 0.00 H new ATOM 1150 N LEU A 77 15.450 3.429 -1.321 1.00 0.00 N ATOM 1151 CA LEU A 77 15.144 2.757 -0.063 1.00 0.00 C ATOM 1152 C LEU A 77 16.417 2.253 0.610 1.00 0.00 C ATOM 1153 O LEU A 77 17.458 2.118 -0.032 1.00 0.00 O ATOM 1154 CB LEU A 77 14.186 1.589 -0.307 1.00 0.00 C ATOM 1155 CG LEU A 77 12.719 1.958 -0.525 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.932 0.753 -1.015 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.111 2.509 0.757 1.00 0.00 C ATOM 0 H LEU A 77 15.192 2.901 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 77 14.667 3.479 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.534 1.036 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.247 0.912 0.545 1.00 0.00 H new ATOM 0 HG LEU A 77 12.670 2.733 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.890 1.035 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.352 0.403 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.989 -0.045 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.066 2.766 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.173 1.756 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.658 3.400 1.065 1.00 0.00 H new ATOM 1169 N SER A 78 16.324 1.976 1.907 1.00 0.00 N ATOM 1170 CA SER A 78 17.469 1.489 2.668 1.00 0.00 C ATOM 1171 C SER A 78 17.182 0.113 3.259 1.00 0.00 C ATOM 1172 O SER A 78 16.043 -0.354 3.253 1.00 0.00 O ATOM 1173 CB SER A 78 17.822 2.473 3.784 1.00 0.00 C ATOM 1174 OG SER A 78 18.277 3.706 3.253 1.00 0.00 O ATOM 0 H SER A 78 15.468 2.080 2.452 1.00 0.00 H new ATOM 0 HA SER A 78 18.317 1.403 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.948 2.645 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.593 2.042 4.423 1.00 0.00 H new ATOM 0 HG SER A 78 18.494 4.318 3.987 1.00 0.00 H new ATOM 1180 N VAL A 79 18.225 -0.534 3.771 1.00 0.00 N ATOM 1181 CA VAL A 79 18.087 -1.857 4.368 1.00 0.00 C ATOM 1182 C VAL A 79 17.302 -1.791 5.674 1.00 0.00 C ATOM 1183 O VAL A 79 17.725 -1.147 6.633 1.00 0.00 O ATOM 1184 CB VAL A 79 19.461 -2.497 4.640 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.303 -3.783 5.435 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.195 -2.755 3.333 1.00 0.00 C ATOM 0 H VAL A 79 19.175 -0.163 3.784 1.00 0.00 H new ATOM 0 HA VAL A 79 17.544 -2.472 3.651 1.00 0.00 H new ATOM 0 HB VAL A 79 20.055 -1.803 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.284 -4.221 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.820 -3.565 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.691 -4.487 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.164 -3.207 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.606 -3.430 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.341 -1.812 2.806 1.00 0.00 H new ATOM 1196 N GLY A 80 16.155 -2.464 5.703 1.00 0.00 N ATOM 1197 CA GLY A 80 15.329 -2.469 6.896 1.00 0.00 C ATOM 1198 C GLY A 80 13.902 -2.892 6.611 1.00 0.00 C ATOM 1199 O GLY A 80 13.545 -3.169 5.465 1.00 0.00 O ATOM 0 H GLY A 80 15.784 -3.005 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.764 -3.144 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.328 -1.473 7.338 1.00 0.00 H new ATOM 1203 N LEU A 81 13.082 -2.944 7.655 1.00 0.00 N ATOM 1204 CA LEU A 81 11.685 -3.339 7.512 1.00 0.00 C ATOM 1205 C LEU A 81 10.778 -2.114 7.438 1.00 0.00 C ATOM 1206 O LEU A 81 10.873 -1.208 8.266 1.00 0.00 O ATOM 1207 CB LEU A 81 11.263 -4.229 8.683 1.00 0.00 C ATOM 1208 CG LEU A 81 9.833 -4.767 8.636 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.664 -5.733 7.473 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.474 -5.444 9.950 1.00 0.00 C ATOM 0 H LEU A 81 13.360 -2.718 8.610 1.00 0.00 H new ATOM 0 HA LEU A 81 11.585 -3.900 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.947 -5.076 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.387 -3.663 9.606 1.00 0.00 H new ATOM 0 HG LEU A 81 9.154 -3.927 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.640 -6.106 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.878 -5.217 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.353 -6.570 7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.453 -5.821 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.158 -6.273 10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.554 -4.724 10.764 1.00 0.00 H new ATOM 1222 N TYR A 82 9.899 -2.095 6.442 1.00 0.00 N ATOM 1223 CA TYR A 82 8.976 -0.982 6.259 1.00 0.00 C ATOM 1224 C TYR A 82 7.548 -1.485 6.070 1.00 0.00 C ATOM 1225 O TYR A 82 7.290 -2.364 5.248 1.00 0.00 O ATOM 1226 CB TYR A 82 9.395 -0.137 5.055 1.00 0.00 C ATOM 1227 CG TYR A 82 10.836 0.317 5.106 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.850 -0.461 4.561 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.184 1.524 5.699 1.00 0.00 C ATOM 1230 CE1 TYR A 82 13.168 -0.051 4.606 1.00 0.00 C ATOM 1231 CE2 TYR A 82 12.500 1.943 5.747 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.488 1.152 5.199 1.00 0.00 C ATOM 1233 OH TYR A 82 14.799 1.566 5.246 1.00 0.00 O ATOM 0 H TYR A 82 9.807 -2.838 5.749 1.00 0.00 H new ATOM 0 HA TYR A 82 9.009 -0.364 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.237 -0.714 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.749 0.739 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.603 -1.403 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.413 2.146 6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.944 -0.669 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 82 12.753 2.885 6.211 1.00 0.00 H new ATOM 0 HH TYR A 82 15.384 0.832 4.966 1.00 0.00 H new ATOM 1243 N VAL A 83 6.622 -0.918 6.837 1.00 0.00 N ATOM 1244 CA VAL A 83 5.218 -1.306 6.754 1.00 0.00 C ATOM 1245 C VAL A 83 4.375 -0.191 6.145 1.00 0.00 C ATOM 1246 O VAL A 83 4.122 0.830 6.784 1.00 0.00 O ATOM 1247 CB VAL A 83 4.652 -1.664 8.141 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.196 -2.090 8.030 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.487 -2.756 8.791 1.00 0.00 C ATOM 0 H VAL A 83 6.818 -0.189 7.523 1.00 0.00 H new ATOM 0 HA VAL A 83 5.170 -2.186 6.112 1.00 0.00 H new ATOM 0 HB VAL A 83 4.699 -0.777 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.813 -2.339 9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.609 -1.274 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.121 -2.963 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.073 -2.996 9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.474 -3.647 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.514 -2.409 8.907 1.00 0.00 H new ATOM 1259 N PHE A 84 3.942 -0.394 4.905 1.00 0.00 N ATOM 1260 CA PHE A 84 3.127 0.594 4.208 1.00 0.00 C ATOM 1261 C PHE A 84 1.643 0.267 4.344 1.00 0.00 C ATOM 1262 O PHE A 84 1.161 -0.726 3.799 1.00 0.00 O ATOM 1263 CB PHE A 84 3.515 0.654 2.729 1.00 0.00 C ATOM 1264 CG PHE A 84 4.996 0.744 2.501 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.682 1.918 2.767 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.704 -0.347 2.021 1.00 0.00 C ATOM 1267 CE1 PHE A 84 7.046 2.003 2.557 1.00 0.00 C ATOM 1268 CE2 PHE A 84 7.067 -0.268 1.810 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.739 0.908 2.079 1.00 0.00 C ATOM 0 H PHE A 84 4.142 -1.234 4.362 1.00 0.00 H new ATOM 0 HA PHE A 84 3.310 1.567 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.131 -0.233 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.032 1.516 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.145 2.777 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.184 -1.270 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.569 2.924 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.606 -1.125 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.805 0.971 1.916 1.00 0.00 H new ATOM 1279 N LYS A 85 0.922 1.111 5.075 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.508 0.915 5.283 1.00 0.00 C ATOM 1281 C LYS A 85 -1.321 1.838 4.381 1.00 0.00 C ATOM 1282 O LYS A 85 -1.188 3.060 4.446 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.870 1.168 6.749 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.356 1.046 7.037 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.710 1.630 8.395 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.615 3.148 8.390 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.248 3.620 8.743 1.00 0.00 N ATOM 0 H LYS A 85 1.305 1.938 5.533 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.749 -0.117 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.327 0.461 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.534 2.166 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.922 1.560 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.649 -0.003 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.721 1.328 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.039 1.225 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.886 3.525 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.335 3.559 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.317 4.454 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.737 2.863 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.733 3.873 7.875 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.163 1.245 3.541 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.000 2.015 2.628 1.00 0.00 C ATOM 1303 C VAL A 86 -4.418 2.155 3.168 1.00 0.00 C ATOM 1304 O VAL A 86 -5.121 1.163 3.365 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.055 1.363 1.233 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.375 -0.120 1.349 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.076 2.070 0.355 1.00 0.00 C ATOM 0 H VAL A 86 -2.284 0.234 3.474 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.549 3.003 2.542 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.076 1.463 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.410 -0.564 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.603 -0.614 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.342 -0.247 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.102 1.597 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.061 2.003 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.798 3.118 0.245 1.00 0.00 H new ATOM 1317 N THR A 87 -4.835 3.395 3.406 1.00 0.00 N ATOM 1318 CA THR A 87 -6.170 3.666 3.924 1.00 0.00 C ATOM 1319 C THR A 87 -7.118 4.090 2.808 1.00 0.00 C ATOM 1320 O THR A 87 -7.022 5.201 2.286 1.00 0.00 O ATOM 1321 CB THR A 87 -6.141 4.766 5.002 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.887 4.743 5.692 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.277 4.578 5.997 1.00 0.00 C ATOM 0 H THR A 87 -4.267 4.227 3.248 1.00 0.00 H new ATOM 0 HA THR A 87 -6.530 2.739 4.370 1.00 0.00 H new ATOM 0 HB THR A 87 -6.266 5.730 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.876 5.446 6.374 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.236 5.366 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.231 4.625 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.178 3.607 6.483 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.034 3.197 2.445 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.001 3.480 1.391 1.00 0.00 C ATOM 1333 C VAL A 88 -10.422 3.503 1.941 1.00 0.00 C ATOM 1334 O VAL A 88 -10.991 2.461 2.266 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.917 2.438 0.259 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.003 2.687 -0.776 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.539 2.461 -0.385 1.00 0.00 C ATOM 0 H VAL A 88 -8.126 2.272 2.865 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.754 4.463 0.990 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.076 1.448 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.929 1.942 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.981 2.615 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.878 3.683 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.498 1.719 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.348 3.451 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.783 2.230 0.365 1.00 0.00 H new ATOM 1347 N SER A 89 -10.992 4.700 2.043 1.00 0.00 N ATOM 1348 CA SER A 89 -12.347 4.860 2.557 1.00 0.00 C ATOM 1349 C SER A 89 -13.149 5.821 1.685 1.00 0.00 C ATOM 1350 O SER A 89 -12.584 6.668 0.993 1.00 0.00 O ATOM 1351 CB SER A 89 -12.311 5.371 3.999 1.00 0.00 C ATOM 1352 OG SER A 89 -11.741 6.667 4.066 1.00 0.00 O ATOM 0 H SER A 89 -10.536 5.573 1.776 1.00 0.00 H new ATOM 0 HA SER A 89 -12.834 3.885 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.322 5.393 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.734 4.684 4.618 1.00 0.00 H new ATOM 0 HG SER A 89 -11.731 6.972 4.997 1.00 0.00 H new ATOM 1358 N SER A 90 -14.470 5.683 1.724 1.00 0.00 N ATOM 1359 CA SER A 90 -15.352 6.535 0.934 1.00 0.00 C ATOM 1360 C SER A 90 -16.467 7.113 1.800 1.00 0.00 C ATOM 1361 O SER A 90 -16.570 6.802 2.986 1.00 0.00 O ATOM 1362 CB SER A 90 -15.952 5.745 -0.230 1.00 0.00 C ATOM 1363 OG SER A 90 -15.067 5.716 -1.337 1.00 0.00 O ATOM 0 H SER A 90 -14.954 4.989 2.294 1.00 0.00 H new ATOM 0 HA SER A 90 -14.760 7.359 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.170 4.727 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.899 6.195 -0.529 1.00 0.00 H new ATOM 0 HG SER A 90 -15.584 5.658 -2.168 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.299 7.956 1.197 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.407 8.579 1.913 1.00 0.00 C ATOM 1371 C GLU A 91 -19.163 7.549 2.746 1.00 0.00 C ATOM 1372 O GLU A 91 -19.464 7.781 3.916 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.362 9.257 0.929 1.00 0.00 C ATOM 1374 CG GLU A 91 -19.891 8.323 -0.148 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.841 9.016 -1.105 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -22.058 9.027 -0.829 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.366 9.547 -2.131 1.00 0.00 O ATOM 0 H GLU A 91 -17.227 8.223 0.215 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.995 9.332 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.204 9.674 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.848 10.092 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.053 7.910 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.403 7.484 0.323 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.469 6.409 2.133 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.192 5.343 2.817 1.00 0.00 C ATOM 1386 C ASN A 92 -19.391 4.045 2.799 1.00 0.00 C ATOM 1387 O ASN A 92 -19.958 2.956 2.711 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.557 5.123 2.163 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.521 5.338 0.662 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -20.582 4.916 -0.014 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.545 5.997 0.134 1.00 0.00 N ATOM 0 H ASN A 92 -19.227 6.200 1.164 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.339 5.644 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.899 4.110 2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.284 5.803 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.576 6.172 -0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.301 6.328 0.733 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.071 4.169 2.882 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.193 3.005 2.878 1.00 0.00 C ATOM 1400 C ALA A 93 -15.913 3.280 3.661 1.00 0.00 C ATOM 1401 O ALA A 93 -15.562 4.433 3.911 1.00 0.00 O ATOM 1402 CB ALA A 93 -16.862 2.599 1.449 1.00 0.00 C ATOM 0 H ALA A 93 -17.586 5.063 2.953 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.717 2.183 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.206 1.729 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.782 2.353 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.361 3.424 0.943 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.220 2.214 4.047 1.00 0.00 N ATOM 1409 CA PHE A 94 -13.980 2.340 4.804 1.00 0.00 C ATOM 1410 C PHE A 94 -13.220 1.018 4.827 1.00 0.00 C ATOM 1411 O PHE A 94 -13.744 -0.004 5.268 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.275 2.797 6.234 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.138 2.559 7.186 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.826 2.722 6.773 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.382 2.171 8.493 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.777 2.504 7.647 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.338 1.951 9.371 1.00 0.00 C ATOM 1418 CZ PHE A 94 -11.034 2.117 8.947 1.00 0.00 C ATOM 0 H PHE A 94 -15.496 1.253 3.848 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.358 3.088 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.514 3.860 6.225 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.159 2.274 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.620 3.023 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.400 2.039 8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.758 2.636 7.313 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.541 1.650 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.217 1.944 9.631 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.980 1.046 4.347 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.167 -0.156 4.321 1.00 0.00 C ATOM 1430 C GLY A 95 -9.697 0.143 4.102 1.00 0.00 C ATOM 1431 O GLY A 95 -9.345 0.969 3.260 1.00 0.00 O ATOM 0 H GLY A 95 -11.524 1.880 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.289 -0.694 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.523 -0.814 3.529 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.838 -0.530 4.861 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.399 -0.329 4.746 1.00 0.00 C ATOM 1437 C GLU A 96 -6.657 -1.661 4.811 1.00 0.00 C ATOM 1438 O GLU A 96 -7.201 -2.666 5.266 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.900 0.599 5.856 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.192 0.085 7.256 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.156 -0.910 7.739 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.098 -1.031 7.087 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.403 -1.569 8.771 1.00 0.00 O ATOM 0 H GLU A 96 -9.114 -1.218 5.561 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.199 0.133 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.824 0.738 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.362 1.579 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.232 0.927 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.175 -0.385 7.269 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.409 -1.660 4.351 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.613 -2.873 4.364 1.00 0.00 C ATOM 1452 C GLY A 97 -3.247 -2.663 4.987 1.00 0.00 C ATOM 1453 O GLY A 97 -2.901 -1.549 5.382 1.00 0.00 O ATOM 0 H GLY A 97 -4.936 -0.841 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.146 -3.648 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.492 -3.235 3.343 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.468 -3.735 5.077 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.132 -3.664 5.659 1.00 0.00 C ATOM 1459 C PHE A 98 -0.149 -4.525 4.872 1.00 0.00 C ATOM 1460 O PHE A 98 -0.400 -5.705 4.624 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.165 -4.114 7.121 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.542 -3.019 8.077 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.863 -2.628 8.218 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.574 -2.381 8.836 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.212 -1.620 9.097 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -0.916 -1.372 9.717 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.238 -0.992 9.848 1.00 0.00 C ATOM 0 H PHE A 98 -2.738 -4.664 4.754 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.797 -2.628 5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.874 -4.935 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.184 -4.503 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.629 -3.116 7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.460 -2.676 8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.246 -1.324 9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.152 -0.882 10.302 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.509 -0.205 10.536 1.00 0.00 H new ATOM 1477 N VAL A 99 0.971 -3.927 4.481 1.00 0.00 N ATOM 1478 CA VAL A 99 1.993 -4.638 3.722 1.00 0.00 C ATOM 1479 C VAL A 99 3.392 -4.273 4.207 1.00 0.00 C ATOM 1480 O VAL A 99 3.714 -3.098 4.376 1.00 0.00 O ATOM 1481 CB VAL A 99 1.889 -4.332 2.216 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.410 -2.935 1.917 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.644 -5.376 1.407 1.00 0.00 C ATOM 0 H VAL A 99 1.194 -2.951 4.677 1.00 0.00 H new ATOM 0 HA VAL A 99 1.822 -5.702 3.882 1.00 0.00 H new ATOM 0 HB VAL A 99 0.839 -4.371 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.328 -2.737 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.821 -2.201 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.454 -2.864 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.560 -5.144 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.695 -5.371 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.219 -6.361 1.598 1.00 0.00 H new ATOM 1493 N ASN A 100 4.219 -5.289 4.430 1.00 0.00 N ATOM 1494 CA ASN A 100 5.584 -5.075 4.897 1.00 0.00 C ATOM 1495 C ASN A 100 6.591 -5.399 3.798 1.00 0.00 C ATOM 1496 O ASN A 100 6.394 -6.327 3.013 1.00 0.00 O ATOM 1497 CB ASN A 100 5.864 -5.936 6.130 1.00 0.00 C ATOM 1498 CG ASN A 100 4.847 -5.715 7.233 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.705 -5.335 6.973 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.258 -5.953 8.473 1.00 0.00 N ATOM 0 H ASN A 100 3.968 -6.268 4.295 1.00 0.00 H new ATOM 0 HA ASN A 100 5.690 -4.024 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.862 -6.988 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.861 -5.710 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.618 -5.822 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.214 -6.267 8.642 1.00 0.00 H new ATOM 1507 N VAL A 101 7.672 -4.626 3.748 1.00 0.00 N ATOM 1508 CA VAL A 101 8.712 -4.831 2.746 1.00 0.00 C ATOM 1509 C VAL A 101 10.096 -4.847 3.386 1.00 0.00 C ATOM 1510 O VAL A 101 10.438 -3.965 4.175 1.00 0.00 O ATOM 1511 CB VAL A 101 8.672 -3.736 1.663 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.897 -3.827 0.766 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.393 -3.842 0.847 1.00 0.00 C ATOM 0 H VAL A 101 7.850 -3.853 4.389 1.00 0.00 H new ATOM 0 HA VAL A 101 8.518 -5.798 2.282 1.00 0.00 H new ATOM 0 HB VAL A 101 8.683 -2.763 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.851 -3.046 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.798 -3.698 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.921 -4.803 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.381 -3.061 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.349 -4.819 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.531 -3.722 1.504 1.00 0.00 H new ATOM 1523 N THR A 102 10.890 -5.856 3.041 1.00 0.00 N ATOM 1524 CA THR A 102 12.237 -5.988 3.581 1.00 0.00 C ATOM 1525 C THR A 102 13.288 -5.726 2.509 1.00 0.00 C ATOM 1526 O THR A 102 13.214 -6.270 1.407 1.00 0.00 O ATOM 1527 CB THR A 102 12.468 -7.388 4.179 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.355 -7.760 5.001 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.746 -7.421 5.003 1.00 0.00 C ATOM 0 H THR A 102 10.623 -6.594 2.390 1.00 0.00 H new ATOM 0 HA THR A 102 12.335 -5.243 4.371 1.00 0.00 H new ATOM 0 HB THR A 102 12.566 -8.098 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.509 -8.652 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.888 -8.420 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.595 -7.167 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.673 -6.700 5.817 1.00 0.00 H new ATOM 1537 N VAL A 103 14.267 -4.890 2.838 1.00 0.00 N ATOM 1538 CA VAL A 103 15.335 -4.557 1.903 1.00 0.00 C ATOM 1539 C VAL A 103 16.651 -5.205 2.319 1.00 0.00 C ATOM 1540 O VAL A 103 17.329 -4.732 3.231 1.00 0.00 O ATOM 1541 CB VAL A 103 15.536 -3.034 1.799 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.704 -2.711 0.878 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.262 -2.361 1.313 1.00 0.00 C ATOM 0 H VAL A 103 14.343 -4.431 3.746 1.00 0.00 H new ATOM 0 HA VAL A 103 15.035 -4.943 0.929 1.00 0.00 H new ATOM 0 HB VAL A 103 15.769 -2.647 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.831 -1.630 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.614 -3.161 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.504 -3.110 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.422 -1.285 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.997 -2.751 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.453 -2.564 2.015 1.00 0.00 H new ATOM 1553 N LYS A 104 17.009 -6.292 1.643 1.00 0.00 N ATOM 1554 CA LYS A 104 18.245 -7.006 1.939 1.00 0.00 C ATOM 1555 C LYS A 104 19.452 -6.258 1.383 1.00 0.00 C ATOM 1556 O LYS A 104 19.372 -5.569 0.366 1.00 0.00 O ATOM 1557 CB LYS A 104 18.195 -8.420 1.355 1.00 0.00 C ATOM 1558 CG LYS A 104 16.978 -9.216 1.795 1.00 0.00 C ATOM 1559 CD LYS A 104 17.217 -9.909 3.126 1.00 0.00 C ATOM 1560 CE LYS A 104 16.254 -11.069 3.331 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.683 -12.285 2.586 1.00 0.00 N ATOM 0 H LYS A 104 16.459 -6.698 0.886 1.00 0.00 H new ATOM 0 HA LYS A 104 18.347 -7.071 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.203 -8.355 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.096 -8.958 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.118 -8.551 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.734 -9.959 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.243 -10.275 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.101 -9.191 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.185 -11.300 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.257 -10.775 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.001 -13.052 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.725 -12.072 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.624 -12.581 2.916 1.00 0.00 H new ATOM 1575 N PRO A 105 20.600 -6.395 2.064 1.00 0.00 N ATOM 1576 CA PRO A 105 21.846 -5.741 1.655 1.00 0.00 C ATOM 1577 C PRO A 105 22.421 -6.337 0.374 1.00 0.00 C ATOM 1578 O PRO A 105 22.236 -7.521 0.093 1.00 0.00 O ATOM 1579 CB PRO A 105 22.787 -6.000 2.834 1.00 0.00 C ATOM 1580 CG PRO A 105 22.260 -7.239 3.473 1.00 0.00 C ATOM 1581 CD PRO A 105 20.769 -7.200 3.285 1.00 0.00 C ATOM 0 HA PRO A 105 21.697 -4.684 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.815 -6.134 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.787 -5.163 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.688 -8.129 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.519 -7.273 4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.353 -8.200 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.268 -6.744 4.139 1.00 0.00 H new ATOM 1589 N ALA A 106 23.118 -5.510 -0.397 1.00 0.00 N ATOM 1590 CA ALA A 106 23.721 -5.956 -1.647 1.00 0.00 C ATOM 1591 C ALA A 106 24.669 -7.127 -1.411 1.00 0.00 C ATOM 1592 O ALA A 106 25.752 -6.959 -0.851 1.00 0.00 O ATOM 1593 CB ALA A 106 24.457 -4.806 -2.318 1.00 0.00 C ATOM 0 H ALA A 106 23.279 -4.527 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 106 22.922 -6.295 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.902 -5.154 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.755 -3.999 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.241 -4.440 -1.655 1.00 0.00 H new