USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot -150:sc= -0.65 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0.00683 USER MOD Single : A 12 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-6.5!) USER MOD Single : A 20 ASN : amide:sc= -0.265 X(o=-0.26,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.586 K(o=-0.59,f=-6.4!) USER MOD Single : A 23 MET CE :methyl -124:sc= -1.57 (180deg=-4.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0444 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 1:sc= 0.356 USER MOD Single : A 60 ASN : amide:sc= -7.62! C(o=-7.6!,f=-9.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0.312 (180deg=-0.177!) USER MOD Single : A 67 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -69:sc= 1.22 USER MOD Single : A 75 THR OG1 : rot -158:sc= -1.89 USER MOD Single : A 76 TYR OH : rot -38:sc= 1.04 USER MOD Single : A 77 ASN : amide:sc= -3.72! C(o=-3.7!,f=-6.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 84 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.7!) USER MOD Single : A 90 ASN : amide:sc= -3.57 K(o=-3.6,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ -136:sc= -0.232 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.381 6.092 -1.962 1.00 0.00 N ATOM 72 CA VAL A 6 12.745 5.646 -0.651 1.00 0.00 C ATOM 73 C VAL A 6 13.874 4.619 -0.680 1.00 0.00 C ATOM 74 O VAL A 6 14.360 4.217 -1.741 1.00 0.00 O ATOM 75 CB VAL A 6 11.542 5.024 0.049 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.611 6.096 0.592 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.801 4.066 -0.861 1.00 0.00 C ATOM 0 HA VAL A 6 13.092 6.525 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 6 11.918 4.446 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.762 5.624 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.149 6.716 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.254 6.717 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.950 3.642 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.447 4.601 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.472 3.264 -1.169 1.00 0.00 H new ATOM 87 N TRP A 7 14.269 4.196 0.511 1.00 0.00 N ATOM 88 CA TRP A 7 15.338 3.217 0.680 1.00 0.00 C ATOM 89 C TRP A 7 15.053 2.313 1.879 1.00 0.00 C ATOM 90 O TRP A 7 14.240 2.651 2.740 1.00 0.00 O ATOM 91 CB TRP A 7 16.677 3.936 0.874 1.00 0.00 C ATOM 92 CG TRP A 7 17.135 4.679 -0.344 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.697 5.899 -0.773 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.121 4.250 -1.290 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.348 6.253 -1.929 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.227 5.259 -2.268 1.00 0.00 C ATOM 97 CE3 TRP A 7 18.923 3.111 -1.408 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.104 5.162 -3.345 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.794 3.017 -2.478 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.878 4.038 -3.434 1.00 0.00 C ATOM 0 H TRP A 7 13.860 4.519 1.388 1.00 0.00 H new ATOM 0 HA TRP A 7 15.389 2.599 -0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.588 4.635 1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.437 3.205 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.948 6.498 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.201 7.117 -2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 7 18.863 2.319 -0.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.171 5.947 -4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.420 2.142 -2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.568 3.935 -4.258 1.00 0.00 H new ATOM 111 N GLY A 8 15.725 1.167 1.935 1.00 0.00 N ATOM 112 CA GLY A 8 15.524 0.243 3.040 1.00 0.00 C ATOM 113 C GLY A 8 16.582 -0.843 3.086 1.00 0.00 C ATOM 114 O GLY A 8 17.472 -0.881 2.238 1.00 0.00 O ATOM 0 H GLY A 8 16.404 0.861 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.534 0.796 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.539 -0.216 2.951 1.00 0.00 H new ATOM 118 N ALA A 9 16.495 -1.732 4.076 1.00 0.00 N ATOM 119 CA ALA A 9 17.461 -2.816 4.209 1.00 0.00 C ATOM 120 C ALA A 9 16.773 -4.172 4.196 1.00 0.00 C ATOM 121 O ALA A 9 15.763 -4.376 4.868 1.00 0.00 O ATOM 122 CB ALA A 9 18.276 -2.653 5.480 1.00 0.00 C ATOM 0 H ALA A 9 15.769 -1.721 4.792 1.00 0.00 H new ATOM 0 HA ALA A 9 18.133 -2.768 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.991 -3.472 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.812 -1.704 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.610 -2.666 6.343 1.00 0.00 H new ATOM 128 N LEU A 10 17.329 -5.100 3.429 1.00 0.00 N ATOM 129 CA LEU A 10 16.766 -6.443 3.330 1.00 0.00 C ATOM 130 C LEU A 10 16.696 -7.099 4.701 1.00 0.00 C ATOM 131 O LEU A 10 17.650 -7.046 5.478 1.00 0.00 O ATOM 132 CB LEU A 10 17.603 -7.301 2.378 1.00 0.00 C ATOM 133 CG LEU A 10 16.802 -8.182 1.418 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.303 -7.367 0.234 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.654 -9.346 0.943 1.00 0.00 C ATOM 0 H LEU A 10 18.167 -4.950 2.867 1.00 0.00 H new ATOM 0 HA LEU A 10 15.754 -6.361 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.245 -6.643 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.257 -7.940 2.971 1.00 0.00 H new ATOM 0 HG LEU A 10 15.936 -8.577 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.735 -8.011 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.662 -6.561 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.153 -6.944 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.074 -9.967 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.535 -8.965 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.965 -9.943 1.800 1.00 0.00 H new ATOM 147 N GLY A 11 15.556 -7.709 4.995 1.00 0.00 N ATOM 148 CA GLY A 11 15.376 -8.356 6.276 1.00 0.00 C ATOM 149 C GLY A 11 14.940 -7.385 7.358 1.00 0.00 C ATOM 150 O GLY A 11 14.670 -7.793 8.488 1.00 0.00 O ATOM 0 H GLY A 11 14.753 -7.767 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.632 -9.146 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.310 -8.832 6.574 1.00 0.00 H new ATOM 154 N HIS A 12 14.868 -6.098 7.018 1.00 0.00 N ATOM 155 CA HIS A 12 14.463 -5.085 7.970 1.00 0.00 C ATOM 156 C HIS A 12 13.071 -4.567 7.607 1.00 0.00 C ATOM 157 O HIS A 12 12.555 -4.863 6.527 1.00 0.00 O ATOM 158 CB HIS A 12 15.520 -3.970 7.988 1.00 0.00 C ATOM 159 CG HIS A 12 14.997 -2.591 8.201 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.659 -1.771 7.157 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.806 -1.869 9.330 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.287 -0.591 7.627 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.364 -0.626 8.945 1.00 0.00 N ATOM 0 H HIS A 12 15.087 -5.740 6.088 1.00 0.00 H new ATOM 0 HA HIS A 12 14.398 -5.500 8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.242 -4.191 8.774 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.062 -3.992 7.042 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.970 -2.206 10.343 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.974 0.256 7.034 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.133 0.143 9.574 1.00 0.00 H new ATOM 172 N GLY A 13 12.459 -3.819 8.516 1.00 0.00 N ATOM 173 CA GLY A 13 11.124 -3.298 8.267 1.00 0.00 C ATOM 174 C GLY A 13 11.131 -2.084 7.362 1.00 0.00 C ATOM 175 O GLY A 13 12.169 -1.716 6.828 1.00 0.00 O ATOM 0 H GLY A 13 12.859 -3.563 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.512 -4.079 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.658 -3.036 9.217 1.00 0.00 H new ATOM 179 N ILE A 14 9.966 -1.463 7.192 1.00 0.00 N ATOM 180 CA ILE A 14 9.827 -0.274 6.351 1.00 0.00 C ATOM 181 C ILE A 14 8.356 -0.018 6.031 1.00 0.00 C ATOM 182 O ILE A 14 7.607 -0.947 5.724 1.00 0.00 O ATOM 183 CB ILE A 14 10.634 -0.390 5.034 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.612 0.934 4.270 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.103 -1.518 4.167 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.865 1.756 4.471 1.00 0.00 C ATOM 0 H ILE A 14 9.096 -1.766 7.630 1.00 0.00 H new ATOM 0 HA ILE A 14 10.232 0.565 6.916 1.00 0.00 H new ATOM 0 HB ILE A 14 11.668 -0.621 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.485 0.731 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.748 1.516 4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.687 -1.577 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.181 -2.461 4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.059 -1.327 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.787 2.683 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.982 1.988 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.730 1.190 4.126 1.00 0.00 H new ATOM 198 N ASP A 15 7.942 1.241 6.119 1.00 0.00 N ATOM 199 CA ASP A 15 6.556 1.605 5.849 1.00 0.00 C ATOM 200 C ASP A 15 6.450 2.539 4.648 1.00 0.00 C ATOM 201 O ASP A 15 6.984 3.649 4.661 1.00 0.00 O ATOM 202 CB ASP A 15 5.935 2.270 7.080 1.00 0.00 C ATOM 203 CG ASP A 15 4.449 2.519 6.913 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.083 3.463 6.183 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.650 1.768 7.513 1.00 0.00 O ATOM 0 H ASP A 15 8.544 2.024 6.374 1.00 0.00 H new ATOM 0 HA ASP A 15 6.011 0.690 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.099 1.638 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.440 3.217 7.272 1.00 0.00 H new ATOM 210 N LEU A 16 5.746 2.086 3.615 1.00 0.00 N ATOM 211 CA LEU A 16 5.553 2.884 2.409 1.00 0.00 C ATOM 212 C LEU A 16 4.424 3.888 2.627 1.00 0.00 C ATOM 213 O LEU A 16 3.248 3.526 2.604 1.00 0.00 O ATOM 214 CB LEU A 16 5.225 1.970 1.213 1.00 0.00 C ATOM 215 CG LEU A 16 6.306 1.808 0.116 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.615 2.506 0.468 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.558 0.333 -0.155 1.00 0.00 C ATOM 0 H LEU A 16 5.299 1.169 3.589 1.00 0.00 H new ATOM 0 HA LEU A 16 6.474 3.426 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.990 0.979 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.320 2.349 0.739 1.00 0.00 H new ATOM 0 HG LEU A 16 5.921 2.289 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.334 2.358 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.434 3.573 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.014 2.087 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.320 0.230 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.901 -0.152 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.634 -0.138 -0.491 1.00 0.00 H new ATOM 229 N ASP A 17 4.788 5.145 2.855 1.00 0.00 N ATOM 230 CA ASP A 17 3.800 6.190 3.095 1.00 0.00 C ATOM 231 C ASP A 17 3.290 6.795 1.791 1.00 0.00 C ATOM 232 O ASP A 17 4.065 7.276 0.966 1.00 0.00 O ATOM 233 CB ASP A 17 4.388 7.287 3.981 1.00 0.00 C ATOM 234 CG ASP A 17 4.569 6.836 5.417 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.744 6.027 5.894 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.536 7.290 6.065 1.00 0.00 O ATOM 0 H ASP A 17 5.756 5.464 2.879 1.00 0.00 H new ATOM 0 HA ASP A 17 2.955 5.728 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.351 7.599 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.734 8.159 3.957 1.00 0.00 H new ATOM 241 N ILE A 18 1.973 6.767 1.627 1.00 0.00 N ATOM 242 CA ILE A 18 1.324 7.309 0.441 1.00 0.00 C ATOM 243 C ILE A 18 1.229 8.834 0.512 1.00 0.00 C ATOM 244 O ILE A 18 0.620 9.379 1.433 1.00 0.00 O ATOM 245 CB ILE A 18 -0.092 6.725 0.292 1.00 0.00 C ATOM 246 CG1 ILE A 18 -0.022 5.200 0.226 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.788 7.288 -0.942 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.217 4.573 -0.451 1.00 0.00 C ATOM 0 H ILE A 18 1.328 6.370 2.310 1.00 0.00 H new ATOM 0 HA ILE A 18 1.930 7.032 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.680 7.013 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.883 4.908 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.062 4.804 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.787 6.859 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.865 8.372 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.211 7.036 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.101 3.489 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.123 4.835 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.290 4.941 -1.474 1.00 0.00 H new ATOM 260 N PRO A 19 1.837 9.547 -0.453 1.00 0.00 N ATOM 261 CA PRO A 19 1.815 11.014 -0.478 1.00 0.00 C ATOM 262 C PRO A 19 0.400 11.592 -0.519 1.00 0.00 C ATOM 263 O PRO A 19 -0.423 11.201 -1.347 1.00 0.00 O ATOM 264 CB PRO A 19 2.572 11.365 -1.764 1.00 0.00 C ATOM 265 CG PRO A 19 3.407 10.166 -2.055 1.00 0.00 C ATOM 266 CD PRO A 19 2.602 8.989 -1.585 1.00 0.00 C ATOM 0 HA PRO A 19 2.259 11.432 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.884 11.576 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.189 12.253 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.627 10.090 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.364 10.219 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.946 8.609 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.239 8.161 -1.274 1.00 0.00 H new ATOM 274 N ASN A 20 0.142 12.541 0.378 1.00 0.00 N ATOM 275 CA ASN A 20 -1.156 13.216 0.465 1.00 0.00 C ATOM 276 C ASN A 20 -2.344 12.257 0.320 1.00 0.00 C ATOM 277 O ASN A 20 -3.119 12.360 -0.632 1.00 0.00 O ATOM 278 CB ASN A 20 -1.245 14.311 -0.600 1.00 0.00 C ATOM 279 CG ASN A 20 -0.683 15.633 -0.118 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.348 16.666 -0.188 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.549 15.608 0.376 1.00 0.00 N ATOM 0 H ASN A 20 0.823 12.865 1.065 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.218 13.651 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.704 13.992 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.287 14.447 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.980 16.468 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.065 14.729 0.415 1.00 0.00 H new ATOM 288 N PHE A 21 -2.495 11.339 1.272 1.00 0.00 N ATOM 289 CA PHE A 21 -3.595 10.390 1.250 1.00 0.00 C ATOM 290 C PHE A 21 -4.140 10.167 2.659 1.00 0.00 C ATOM 291 O PHE A 21 -3.402 10.249 3.641 1.00 0.00 O ATOM 292 CB PHE A 21 -3.125 9.073 0.639 1.00 0.00 C ATOM 293 CG PHE A 21 -3.948 7.883 1.029 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.264 7.776 0.623 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.405 6.882 1.807 1.00 0.00 C ATOM 296 CE1 PHE A 21 -6.027 6.683 0.989 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.158 5.786 2.180 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.474 5.688 1.771 1.00 0.00 C ATOM 0 H PHE A 21 -1.866 11.236 2.068 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.401 10.795 0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.134 9.166 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.091 8.897 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.701 8.554 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.377 6.956 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.054 6.607 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.720 5.009 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.069 4.835 2.062 1.00 0.00 H new ATOM 308 N GLN A 22 -5.436 9.886 2.750 1.00 0.00 N ATOM 309 CA GLN A 22 -6.078 9.652 4.039 1.00 0.00 C ATOM 310 C GLN A 22 -7.072 8.499 3.952 1.00 0.00 C ATOM 311 O GLN A 22 -8.058 8.572 3.219 1.00 0.00 O ATOM 312 CB GLN A 22 -6.789 10.920 4.515 1.00 0.00 C ATOM 313 CG GLN A 22 -5.882 11.883 5.262 1.00 0.00 C ATOM 314 CD GLN A 22 -5.440 13.052 4.404 1.00 0.00 C ATOM 315 OE1 GLN A 22 -4.773 12.872 3.385 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.811 14.260 4.812 1.00 0.00 N ATOM 0 H GLN A 22 -6.062 9.815 1.948 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.304 9.385 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.217 11.432 3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.619 10.639 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.404 12.260 6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.003 11.346 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.364 14.363 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.543 15.084 4.274 1.00 0.00 H new ATOM 325 N MET A 23 -6.807 7.436 4.704 1.00 0.00 N ATOM 326 CA MET A 23 -7.679 6.268 4.711 1.00 0.00 C ATOM 327 C MET A 23 -8.877 6.490 5.628 1.00 0.00 C ATOM 328 O MET A 23 -8.888 6.035 6.771 1.00 0.00 O ATOM 329 CB MET A 23 -6.902 5.027 5.157 1.00 0.00 C ATOM 330 CG MET A 23 -7.674 3.730 4.974 1.00 0.00 C ATOM 331 SD MET A 23 -8.437 3.156 6.504 1.00 0.00 S ATOM 332 CE MET A 23 -10.148 3.601 6.215 1.00 0.00 C ATOM 0 H MET A 23 -5.995 7.360 5.317 1.00 0.00 H new ATOM 0 HA MET A 23 -8.045 6.112 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.971 4.969 4.593 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.632 5.135 6.208 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.447 3.875 4.219 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.000 2.960 4.597 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.500 4.240 7.025 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.230 4.136 5.269 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.757 2.698 6.175 1.00 0.00 H new ATOM 342 N THR A 24 -9.883 7.192 5.117 1.00 0.00 N ATOM 343 CA THR A 24 -11.087 7.476 5.889 1.00 0.00 C ATOM 344 C THR A 24 -12.296 6.764 5.290 1.00 0.00 C ATOM 345 O THR A 24 -12.165 5.984 4.345 1.00 0.00 O ATOM 346 CB THR A 24 -11.340 8.984 5.942 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.745 9.630 4.831 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.801 9.637 7.197 1.00 0.00 C ATOM 0 H THR A 24 -9.888 7.575 4.172 1.00 0.00 H new ATOM 0 HA THR A 24 -10.936 7.106 6.903 1.00 0.00 H new ATOM 0 HB THR A 24 -12.424 9.097 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.919 10.593 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.014 10.706 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.277 9.193 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.723 9.483 7.253 1.00 0.00 H new ATOM 356 N ASP A 25 -13.474 7.038 5.843 1.00 0.00 N ATOM 357 CA ASP A 25 -14.707 6.423 5.361 1.00 0.00 C ATOM 358 C ASP A 25 -14.912 6.703 3.876 1.00 0.00 C ATOM 359 O ASP A 25 -15.496 5.894 3.155 1.00 0.00 O ATOM 360 CB ASP A 25 -15.905 6.940 6.159 1.00 0.00 C ATOM 361 CG ASP A 25 -15.985 6.327 7.544 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.928 5.932 8.080 1.00 0.00 O ATOM 363 OD2 ASP A 25 -17.104 6.241 8.091 1.00 0.00 O ATOM 0 H ASP A 25 -13.601 7.681 6.624 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.624 5.345 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.838 8.024 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.823 6.721 5.614 1.00 0.00 H new ATOM 368 N ASP A 26 -14.424 7.855 3.423 1.00 0.00 N ATOM 369 CA ASP A 26 -14.552 8.241 2.023 1.00 0.00 C ATOM 370 C ASP A 26 -13.787 7.277 1.120 1.00 0.00 C ATOM 371 O ASP A 26 -14.143 7.087 -0.043 1.00 0.00 O ATOM 372 CB ASP A 26 -14.039 9.667 1.817 1.00 0.00 C ATOM 373 CG ASP A 26 -14.776 10.392 0.707 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.943 10.779 0.924 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.186 10.572 -0.379 1.00 0.00 O ATOM 0 H ASP A 26 -13.937 8.536 4.006 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.608 8.200 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.146 10.227 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.975 9.637 1.584 1.00 0.00 H new ATOM 380 N ILE A 27 -12.737 6.671 1.664 1.00 0.00 N ATOM 381 CA ILE A 27 -11.924 5.731 0.914 1.00 0.00 C ATOM 382 C ILE A 27 -12.559 4.332 0.941 1.00 0.00 C ATOM 383 O ILE A 27 -12.888 3.825 2.013 1.00 0.00 O ATOM 384 CB ILE A 27 -10.500 5.671 1.501 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.826 7.041 1.386 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.663 4.608 0.804 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.844 7.611 -0.017 1.00 0.00 C ATOM 0 H ILE A 27 -12.431 6.817 2.626 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.868 6.072 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.576 5.400 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.324 7.739 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.792 6.957 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.664 4.589 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.133 3.633 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.592 4.840 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.349 8.582 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.320 6.934 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.876 7.728 -0.349 1.00 0.00 H new ATOM 399 N ASP A 28 -12.750 3.713 -0.230 1.00 0.00 N ATOM 400 CA ASP A 28 -13.361 2.395 -0.297 1.00 0.00 C ATOM 401 C ASP A 28 -12.365 1.331 -0.745 1.00 0.00 C ATOM 402 O ASP A 28 -12.332 0.238 -0.180 1.00 0.00 O ATOM 403 CB ASP A 28 -14.559 2.417 -1.248 1.00 0.00 C ATOM 404 CG ASP A 28 -15.797 1.796 -0.632 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.976 1.924 0.598 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.588 1.184 -1.379 1.00 0.00 O ATOM 0 H ASP A 28 -12.490 4.106 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.696 2.137 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.775 3.447 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.304 1.881 -2.162 1.00 0.00 H new ATOM 411 N GLU A 29 -11.563 1.631 -1.769 1.00 0.00 N ATOM 412 CA GLU A 29 -10.603 0.648 -2.259 1.00 0.00 C ATOM 413 C GLU A 29 -9.176 1.198 -2.296 1.00 0.00 C ATOM 414 O GLU A 29 -8.935 2.308 -2.770 1.00 0.00 O ATOM 415 CB GLU A 29 -11.017 0.159 -3.650 1.00 0.00 C ATOM 416 CG GLU A 29 -10.043 -0.831 -4.272 1.00 0.00 C ATOM 417 CD GLU A 29 -9.676 -1.963 -3.331 1.00 0.00 C ATOM 418 OE1 GLU A 29 -10.580 -2.738 -2.954 1.00 0.00 O ATOM 419 OE2 GLU A 29 -8.484 -2.075 -2.973 1.00 0.00 O ATOM 0 H GLU A 29 -11.559 2.524 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.608 -0.188 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.000 -0.307 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.117 1.019 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.483 -1.246 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.137 -0.304 -4.570 1.00 0.00 H new ATOM 426 N VAL A 30 -8.233 0.391 -1.807 1.00 0.00 N ATOM 427 CA VAL A 30 -6.821 0.759 -1.792 1.00 0.00 C ATOM 428 C VAL A 30 -5.976 -0.422 -2.261 1.00 0.00 C ATOM 429 O VAL A 30 -5.849 -1.421 -1.554 1.00 0.00 O ATOM 430 CB VAL A 30 -6.352 1.189 -0.388 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.939 1.751 -0.448 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.313 2.205 0.210 1.00 0.00 C ATOM 0 H VAL A 30 -8.427 -0.530 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.697 1.607 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.343 0.311 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.623 2.050 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.260 0.989 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.920 2.618 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.965 2.496 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.358 3.085 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.306 1.763 0.290 1.00 0.00 H new ATOM 442 N ARG A 31 -5.426 -0.317 -3.466 1.00 0.00 N ATOM 443 CA ARG A 31 -4.625 -1.402 -4.029 1.00 0.00 C ATOM 444 C ARG A 31 -3.131 -1.094 -3.999 1.00 0.00 C ATOM 445 O ARG A 31 -2.694 -0.027 -4.425 1.00 0.00 O ATOM 446 CB ARG A 31 -5.056 -1.699 -5.471 1.00 0.00 C ATOM 447 CG ARG A 31 -6.482 -1.274 -5.792 1.00 0.00 C ATOM 448 CD ARG A 31 -6.812 -1.494 -7.259 1.00 0.00 C ATOM 449 NE ARG A 31 -7.530 -2.749 -7.476 1.00 0.00 N ATOM 450 CZ ARG A 31 -8.133 -3.070 -8.619 1.00 0.00 C ATOM 451 NH1 ARG A 31 -8.109 -2.233 -9.648 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.763 -4.231 -8.732 1.00 0.00 N ATOM 0 H ARG A 31 -5.518 0.501 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.800 -2.278 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.374 -1.193 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.956 -2.769 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.179 -1.838 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.614 -0.221 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.416 -0.663 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.891 -1.498 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.571 -3.418 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.627 -1.338 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.573 -2.485 -10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.786 -4.878 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.225 -4.477 -9.607 1.00 0.00 H new ATOM 466 N TRP A 32 -2.356 -2.063 -3.522 1.00 0.00 N ATOM 467 CA TRP A 32 -0.905 -1.944 -3.461 1.00 0.00 C ATOM 468 C TRP A 32 -0.293 -2.872 -4.503 1.00 0.00 C ATOM 469 O TRP A 32 0.080 -4.004 -4.195 1.00 0.00 O ATOM 470 CB TRP A 32 -0.388 -2.309 -2.065 1.00 0.00 C ATOM 471 CG TRP A 32 -0.540 -1.213 -1.050 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.611 -0.992 -0.229 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.418 -0.194 -0.743 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.377 0.105 0.566 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.139 0.613 0.268 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.692 0.114 -1.225 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.537 1.709 0.801 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.361 1.202 -0.694 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.782 1.988 0.309 1.00 0.00 C ATOM 0 H TRP A 32 -2.715 -2.950 -3.168 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.620 -0.912 -3.667 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.919 -3.193 -1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.666 -2.578 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.509 -1.591 -0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.020 0.480 1.264 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.147 -0.487 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.093 2.317 1.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.347 1.449 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.330 2.832 0.702 1.00 0.00 H new ATOM 490 N GLU A 33 -0.230 -2.402 -5.744 1.00 0.00 N ATOM 491 CA GLU A 33 0.296 -3.213 -6.835 1.00 0.00 C ATOM 492 C GLU A 33 1.744 -2.878 -7.163 1.00 0.00 C ATOM 493 O GLU A 33 2.232 -1.786 -6.870 1.00 0.00 O ATOM 494 CB GLU A 33 -0.569 -3.036 -8.084 1.00 0.00 C ATOM 495 CG GLU A 33 -2.040 -3.345 -7.855 1.00 0.00 C ATOM 496 CD GLU A 33 -2.864 -3.227 -9.122 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.870 -2.135 -9.728 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.504 -4.227 -9.509 1.00 0.00 O ATOM 0 H GLU A 33 -0.535 -1.468 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 33 0.267 -4.251 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.473 -2.010 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.189 -3.684 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.138 -4.354 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.438 -2.664 -7.102 1.00 0.00 H new ATOM 505 N ARG A 34 2.416 -3.837 -7.790 1.00 0.00 N ATOM 506 CA ARG A 34 3.806 -3.686 -8.193 1.00 0.00 C ATOM 507 C ARG A 34 4.062 -4.503 -9.453 1.00 0.00 C ATOM 508 O ARG A 34 3.981 -5.732 -9.433 1.00 0.00 O ATOM 509 CB ARG A 34 4.742 -4.139 -7.071 1.00 0.00 C ATOM 510 CG ARG A 34 6.217 -4.039 -7.430 1.00 0.00 C ATOM 511 CD ARG A 34 6.999 -5.232 -6.904 1.00 0.00 C ATOM 512 NE ARG A 34 6.525 -6.492 -7.472 1.00 0.00 N ATOM 513 CZ ARG A 34 6.750 -7.684 -6.924 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.444 -7.785 -5.797 1.00 0.00 N ATOM 515 NH2 ARG A 34 6.281 -8.779 -7.506 1.00 0.00 N ATOM 0 H ARG A 34 2.011 -4.741 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 34 4.003 -2.634 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.551 -3.535 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.509 -5.171 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.326 -3.980 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.632 -3.120 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.056 -5.104 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.915 -5.270 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 34 5.990 -6.456 -8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.808 -6.946 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.613 -8.702 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.748 -8.708 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.453 -9.693 -7.087 1.00 0.00 H new ATOM 529 N GLY A 35 4.349 -3.819 -10.556 1.00 0.00 N ATOM 530 CA GLY A 35 4.587 -4.515 -11.805 1.00 0.00 C ATOM 531 C GLY A 35 3.398 -5.359 -12.212 1.00 0.00 C ATOM 532 O GLY A 35 2.308 -4.839 -12.454 1.00 0.00 O ATOM 0 H GLY A 35 4.420 -2.803 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.804 -3.790 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.467 -5.150 -11.705 1.00 0.00 H new ATOM 536 N SER A 36 3.607 -6.663 -12.277 1.00 0.00 N ATOM 537 CA SER A 36 2.547 -7.593 -12.645 1.00 0.00 C ATOM 538 C SER A 36 2.207 -8.515 -11.475 1.00 0.00 C ATOM 539 O SER A 36 2.025 -9.719 -11.655 1.00 0.00 O ATOM 540 CB SER A 36 2.964 -8.422 -13.861 1.00 0.00 C ATOM 541 OG SER A 36 4.333 -8.779 -13.790 1.00 0.00 O ATOM 0 H SER A 36 4.504 -7.105 -12.079 1.00 0.00 H new ATOM 0 HA SER A 36 1.659 -7.014 -12.900 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.353 -9.323 -13.918 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.780 -7.854 -14.773 1.00 0.00 H new ATOM 0 HG SER A 36 4.574 -9.310 -14.578 1.00 0.00 H new ATOM 547 N THR A 37 2.134 -7.943 -10.275 1.00 0.00 N ATOM 548 CA THR A 37 1.826 -8.720 -9.078 1.00 0.00 C ATOM 549 C THR A 37 1.109 -7.866 -8.033 1.00 0.00 C ATOM 550 O THR A 37 1.184 -6.638 -8.063 1.00 0.00 O ATOM 551 CB THR A 37 3.119 -9.288 -8.485 1.00 0.00 C ATOM 552 OG1 THR A 37 3.779 -10.116 -9.426 1.00 0.00 O ATOM 553 CG2 THR A 37 2.905 -10.104 -7.228 1.00 0.00 C ATOM 0 H THR A 37 2.283 -6.948 -10.107 1.00 0.00 H new ATOM 0 HA THR A 37 1.162 -9.536 -9.363 1.00 0.00 H new ATOM 0 HB THR A 37 3.721 -8.416 -8.229 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.603 -10.468 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.865 -10.473 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.444 -9.479 -6.463 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.252 -10.948 -7.449 1.00 0.00 H new ATOM 561 N LEU A 38 0.430 -8.529 -7.098 1.00 0.00 N ATOM 562 CA LEU A 38 -0.282 -7.830 -6.028 1.00 0.00 C ATOM 563 C LEU A 38 0.469 -7.999 -4.718 1.00 0.00 C ATOM 564 O LEU A 38 1.100 -9.029 -4.480 1.00 0.00 O ATOM 565 CB LEU A 38 -1.710 -8.361 -5.854 1.00 0.00 C ATOM 566 CG LEU A 38 -2.821 -7.538 -6.513 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.143 -8.282 -6.406 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.924 -6.167 -5.861 1.00 0.00 C ATOM 0 H LEU A 38 0.358 -9.546 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.338 -6.777 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.750 -9.374 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.922 -8.431 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.581 -7.396 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.931 -7.693 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.060 -9.245 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.387 -8.442 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.718 -5.595 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.151 -6.284 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.977 -5.639 -5.973 1.00 0.00 H new ATOM 580 N VAL A 39 0.389 -6.991 -3.867 1.00 0.00 N ATOM 581 CA VAL A 39 1.052 -7.038 -2.580 1.00 0.00 C ATOM 582 C VAL A 39 0.028 -6.932 -1.455 1.00 0.00 C ATOM 583 O VAL A 39 0.091 -7.667 -0.468 1.00 0.00 O ATOM 584 CB VAL A 39 2.094 -5.909 -2.454 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.615 -5.809 -1.031 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.241 -6.138 -3.436 1.00 0.00 C ATOM 0 H VAL A 39 -0.129 -6.131 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 39 1.571 -7.993 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 39 1.610 -4.964 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.349 -5.005 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.787 -5.598 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.084 -6.751 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.970 -5.334 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.721 -7.092 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.851 -6.152 -4.454 1.00 0.00 H new ATOM 596 N ALA A 40 -0.919 -6.017 -1.620 1.00 0.00 N ATOM 597 CA ALA A 40 -1.966 -5.813 -0.627 1.00 0.00 C ATOM 598 C ALA A 40 -3.127 -5.004 -1.196 1.00 0.00 C ATOM 599 O ALA A 40 -2.981 -3.822 -1.508 1.00 0.00 O ATOM 600 CB ALA A 40 -1.398 -5.128 0.606 1.00 0.00 C ATOM 0 H ALA A 40 -0.983 -5.404 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.351 -6.792 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.191 -4.982 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.614 -5.749 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.981 -4.161 0.325 1.00 0.00 H new ATOM 606 N GLU A 41 -4.283 -5.647 -1.324 1.00 0.00 N ATOM 607 CA GLU A 41 -5.471 -4.986 -1.852 1.00 0.00 C ATOM 608 C GLU A 41 -6.592 -4.966 -0.818 1.00 0.00 C ATOM 609 O GLU A 41 -7.133 -6.008 -0.450 1.00 0.00 O ATOM 610 CB GLU A 41 -5.946 -5.682 -3.128 1.00 0.00 C ATOM 611 CG GLU A 41 -5.943 -4.774 -4.344 1.00 0.00 C ATOM 612 CD GLU A 41 -6.190 -5.525 -5.637 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.908 -6.546 -5.603 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.663 -5.093 -6.684 1.00 0.00 O ATOM 0 H GLU A 41 -4.422 -6.625 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.205 -3.956 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.306 -6.542 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.955 -6.064 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.709 -4.008 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.984 -4.259 -4.405 1.00 0.00 H new ATOM 621 N PHE A 42 -6.936 -3.769 -0.355 1.00 0.00 N ATOM 622 CA PHE A 42 -7.991 -3.603 0.635 1.00 0.00 C ATOM 623 C PHE A 42 -9.270 -3.079 -0.015 1.00 0.00 C ATOM 624 O PHE A 42 -9.279 -2.005 -0.615 1.00 0.00 O ATOM 625 CB PHE A 42 -7.531 -2.645 1.738 1.00 0.00 C ATOM 626 CG PHE A 42 -8.627 -2.242 2.685 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.523 -1.244 2.338 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.759 -2.858 3.918 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.533 -0.869 3.203 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.767 -2.488 4.788 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.655 -1.492 4.430 1.00 0.00 C ATOM 0 H PHE A 42 -6.497 -2.897 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.205 -4.577 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.728 -3.117 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.113 -1.750 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.431 -0.753 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.067 -3.636 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.226 -0.090 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.860 -2.977 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.443 -1.201 5.108 1.00 0.00 H new ATOM 748 N PRO A 48 -9.754 -9.063 1.759 1.00 0.00 N ATOM 749 CA PRO A 48 -8.586 -8.428 1.156 1.00 0.00 C ATOM 750 C PRO A 48 -7.618 -9.453 0.571 1.00 0.00 C ATOM 751 O PRO A 48 -7.832 -10.660 0.694 1.00 0.00 O ATOM 752 CB PRO A 48 -7.930 -7.679 2.328 1.00 0.00 C ATOM 753 CG PRO A 48 -8.730 -8.017 3.552 1.00 0.00 C ATOM 754 CD PRO A 48 -9.589 -9.201 3.206 1.00 0.00 C ATOM 0 HA PRO A 48 -8.860 -7.778 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.890 -7.982 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.930 -6.604 2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.073 -8.250 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.346 -7.170 3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.108 -10.142 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.546 -9.174 3.728 1.00 0.00 H new ATOM 762 N PHE A 49 -6.554 -8.970 -0.065 1.00 0.00 N ATOM 763 CA PHE A 49 -5.560 -9.857 -0.663 1.00 0.00 C ATOM 764 C PHE A 49 -4.157 -9.544 -0.151 1.00 0.00 C ATOM 765 O PHE A 49 -3.506 -8.617 -0.629 1.00 0.00 O ATOM 766 CB PHE A 49 -5.579 -9.748 -2.191 1.00 0.00 C ATOM 767 CG PHE A 49 -4.457 -10.501 -2.855 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.586 -11.852 -3.138 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.269 -9.864 -3.182 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.554 -12.551 -3.735 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.234 -10.559 -3.776 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.376 -11.903 -4.054 1.00 0.00 C ATOM 0 H PHE A 49 -6.358 -7.975 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.821 -10.875 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.531 -10.125 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.520 -8.697 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.504 -12.364 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.152 -8.812 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.668 -13.603 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.314 -10.051 -4.023 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.568 -12.447 -4.520 1.00 0.00 H new ATOM 782 N LEU A 50 -3.692 -10.334 0.808 1.00 0.00 N ATOM 783 CA LEU A 50 -2.363 -10.154 1.364 1.00 0.00 C ATOM 784 C LEU A 50 -1.378 -11.094 0.673 1.00 0.00 C ATOM 785 O LEU A 50 -1.389 -12.301 0.913 1.00 0.00 O ATOM 786 CB LEU A 50 -2.384 -10.424 2.870 1.00 0.00 C ATOM 787 CG LEU A 50 -2.570 -9.188 3.752 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.483 -9.563 5.223 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.534 -8.128 3.409 1.00 0.00 C ATOM 0 H LEU A 50 -4.219 -11.106 1.216 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.044 -9.125 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.188 -11.128 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.450 -10.912 3.148 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.561 -8.776 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.618 -8.671 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.262 -10.287 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.506 -10.001 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.681 -7.256 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.534 -8.531 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.643 -7.837 2.364 1.00 0.00 H new ATOM 801 N LYS A 51 -0.536 -10.538 -0.199 1.00 0.00 N ATOM 802 CA LYS A 51 0.444 -11.332 -0.940 1.00 0.00 C ATOM 803 C LYS A 51 1.143 -12.348 -0.037 1.00 0.00 C ATOM 804 O LYS A 51 1.082 -13.553 -0.284 1.00 0.00 O ATOM 805 CB LYS A 51 1.478 -10.416 -1.596 1.00 0.00 C ATOM 806 CG LYS A 51 2.578 -11.162 -2.335 1.00 0.00 C ATOM 807 CD LYS A 51 3.588 -10.205 -2.947 1.00 0.00 C ATOM 808 CE LYS A 51 4.344 -10.853 -4.096 1.00 0.00 C ATOM 809 NZ LYS A 51 5.493 -11.667 -3.614 1.00 0.00 N ATOM 0 H LYS A 51 -0.513 -9.540 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.092 -11.883 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.970 -9.752 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.930 -9.787 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.086 -11.837 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.138 -11.778 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.075 -9.313 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.294 -9.881 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.665 -11.486 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.706 -10.080 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.983 -12.092 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.154 -11.058 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.146 -12.420 -2.987 1.00 0.00 H new ATOM 823 N SER A 52 1.808 -11.859 1.004 1.00 0.00 N ATOM 824 CA SER A 52 2.515 -12.735 1.931 1.00 0.00 C ATOM 825 C SER A 52 2.443 -12.201 3.358 1.00 0.00 C ATOM 826 O SER A 52 2.128 -11.032 3.581 1.00 0.00 O ATOM 827 CB SER A 52 3.978 -12.884 1.506 1.00 0.00 C ATOM 828 OG SER A 52 4.590 -11.619 1.326 1.00 0.00 O ATOM 0 H SER A 52 1.872 -10.866 1.226 1.00 0.00 H new ATOM 0 HA SER A 52 2.030 -13.711 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.523 -13.451 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.034 -13.453 0.578 1.00 0.00 H new ATOM 0 HG SER A 52 3.942 -10.911 1.522 1.00 0.00 H new ATOM 834 N GLY A 53 2.732 -13.072 4.324 1.00 0.00 N ATOM 835 CA GLY A 53 2.688 -12.669 5.725 1.00 0.00 C ATOM 836 C GLY A 53 3.702 -11.584 6.065 1.00 0.00 C ATOM 837 O GLY A 53 3.680 -11.044 7.171 1.00 0.00 O ATOM 0 H GLY A 53 2.995 -14.045 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.687 -12.310 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.872 -13.540 6.354 1.00 0.00 H new ATOM 841 N ALA A 54 4.600 -11.258 5.125 1.00 0.00 N ATOM 842 CA ALA A 54 5.612 -10.234 5.367 1.00 0.00 C ATOM 843 C ALA A 54 5.040 -8.823 5.235 1.00 0.00 C ATOM 844 O ALA A 54 5.773 -7.838 5.341 1.00 0.00 O ATOM 845 CB ALA A 54 6.781 -10.417 4.411 1.00 0.00 C ATOM 0 H ALA A 54 4.642 -11.687 4.200 1.00 0.00 H new ATOM 0 HA ALA A 54 5.960 -10.352 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.530 -9.648 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.225 -11.401 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.427 -10.334 3.383 1.00 0.00 H new ATOM 851 N PHE A 55 3.735 -8.727 4.999 1.00 0.00 N ATOM 852 CA PHE A 55 3.083 -7.430 4.847 1.00 0.00 C ATOM 853 C PHE A 55 1.909 -7.274 5.802 1.00 0.00 C ATOM 854 O PHE A 55 1.328 -8.255 6.266 1.00 0.00 O ATOM 855 CB PHE A 55 2.594 -7.253 3.412 1.00 0.00 C ATOM 856 CG PHE A 55 3.674 -7.437 2.391 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.673 -6.493 2.264 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.693 -8.549 1.566 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.676 -6.647 1.333 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.696 -8.712 0.630 1.00 0.00 C ATOM 861 CZ PHE A 55 5.689 -7.759 0.512 1.00 0.00 C ATOM 0 H PHE A 55 3.110 -9.528 4.909 1.00 0.00 H new ATOM 0 HA PHE A 55 3.821 -6.664 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.794 -7.967 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.165 -6.257 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.668 -5.622 2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.917 -9.295 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.451 -5.900 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.704 -9.583 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.474 -7.882 -0.220 1.00 0.00 H new ATOM 871 N GLU A 56 1.562 -6.023 6.075 1.00 0.00 N ATOM 872 CA GLU A 56 0.450 -5.707 6.958 1.00 0.00 C ATOM 873 C GLU A 56 -0.117 -4.332 6.620 1.00 0.00 C ATOM 874 O GLU A 56 0.612 -3.338 6.597 1.00 0.00 O ATOM 875 CB GLU A 56 0.899 -5.746 8.420 1.00 0.00 C ATOM 876 CG GLU A 56 -0.240 -5.983 9.400 1.00 0.00 C ATOM 877 CD GLU A 56 0.212 -5.916 10.845 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.666 -4.835 11.277 1.00 0.00 O ATOM 879 OE2 GLU A 56 0.113 -6.946 11.546 1.00 0.00 O ATOM 0 H GLU A 56 2.039 -5.206 5.694 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.329 -6.455 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.642 -6.534 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.389 -4.804 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.020 -5.240 9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.684 -6.960 9.207 1.00 0.00 H new ATOM 886 N ILE A 57 -1.416 -4.284 6.348 1.00 0.00 N ATOM 887 CA ILE A 57 -2.076 -3.031 6.003 1.00 0.00 C ATOM 888 C ILE A 57 -2.465 -2.245 7.255 1.00 0.00 C ATOM 889 O ILE A 57 -3.402 -2.607 7.966 1.00 0.00 O ATOM 890 CB ILE A 57 -3.327 -3.269 5.127 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.851 -1.942 4.577 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.418 -3.994 5.909 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.367 -2.038 3.157 1.00 0.00 C ATOM 0 H ILE A 57 -2.032 -5.097 6.360 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.359 -2.445 5.429 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.038 -3.905 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.652 -1.581 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.052 -1.201 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.285 -4.147 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.042 -4.959 6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.707 -3.394 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.723 -1.060 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.563 -2.369 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.187 -2.754 3.116 1.00 0.00 H new ATOM 905 N LEU A 58 -1.733 -1.169 7.520 1.00 0.00 N ATOM 906 CA LEU A 58 -1.995 -0.332 8.686 1.00 0.00 C ATOM 907 C LEU A 58 -3.352 0.357 8.568 1.00 0.00 C ATOM 908 O LEU A 58 -4.010 0.282 7.531 1.00 0.00 O ATOM 909 CB LEU A 58 -0.885 0.710 8.849 1.00 0.00 C ATOM 910 CG LEU A 58 0.075 0.463 10.016 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.551 -0.983 10.025 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.259 1.414 9.936 1.00 0.00 C ATOM 0 H LEU A 58 -0.953 -0.855 6.943 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.013 -0.972 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.307 0.749 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.345 1.690 8.979 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.459 0.651 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.232 -1.137 10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.307 -1.648 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.069 -1.201 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.933 1.227 10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.791 1.255 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.903 2.443 9.981 1.00 0.00 H new ATOM 924 N ALA A 59 -3.763 1.028 9.639 1.00 0.00 N ATOM 925 CA ALA A 59 -5.040 1.730 9.658 1.00 0.00 C ATOM 926 C ALA A 59 -4.999 2.971 8.773 1.00 0.00 C ATOM 927 O ALA A 59 -5.927 3.230 8.006 1.00 0.00 O ATOM 928 CB ALA A 59 -5.412 2.109 11.084 1.00 0.00 C ATOM 0 H ALA A 59 -3.229 1.100 10.505 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.801 1.058 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.368 2.633 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.493 1.207 11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.642 2.759 11.500 1.00 0.00 H new ATOM 934 N ASN A 60 -3.918 3.738 8.884 1.00 0.00 N ATOM 935 CA ASN A 60 -3.757 4.953 8.093 1.00 0.00 C ATOM 936 C ASN A 60 -3.840 4.650 6.599 1.00 0.00 C ATOM 937 O ASN A 60 -4.187 5.520 5.798 1.00 0.00 O ATOM 938 CB ASN A 60 -2.423 5.628 8.416 1.00 0.00 C ATOM 939 CG ASN A 60 -1.247 4.678 8.305 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.627 4.560 7.248 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.933 3.994 9.399 1.00 0.00 N ATOM 0 H ASN A 60 -3.141 3.539 9.514 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.570 5.631 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.272 6.468 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.462 6.036 9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.151 3.340 9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.474 4.123 10.254 1.00 0.00 H new ATOM 948 N GLY A 61 -3.522 3.413 6.228 1.00 0.00 N ATOM 949 CA GLY A 61 -3.571 3.024 4.831 1.00 0.00 C ATOM 950 C GLY A 61 -2.194 2.918 4.209 1.00 0.00 C ATOM 951 O GLY A 61 -2.016 3.206 3.025 1.00 0.00 O ATOM 0 H GLY A 61 -3.232 2.675 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.081 2.065 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.162 3.752 4.275 1.00 0.00 H new ATOM 955 N ASP A 62 -1.215 2.505 5.007 1.00 0.00 N ATOM 956 CA ASP A 62 0.155 2.363 4.528 1.00 0.00 C ATOM 957 C ASP A 62 0.583 0.898 4.524 1.00 0.00 C ATOM 958 O ASP A 62 0.058 0.085 5.285 1.00 0.00 O ATOM 959 CB ASP A 62 1.106 3.190 5.396 1.00 0.00 C ATOM 960 CG ASP A 62 1.083 4.662 5.031 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.879 4.973 3.839 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.267 5.501 5.936 1.00 0.00 O ATOM 0 H ASP A 62 -1.345 2.263 5.989 1.00 0.00 H new ATOM 0 HA ASP A 62 0.198 2.732 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.832 3.073 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.120 2.806 5.287 1.00 0.00 H new ATOM 967 N LEU A 63 1.544 0.569 3.665 1.00 0.00 N ATOM 968 CA LEU A 63 2.047 -0.808 3.566 1.00 0.00 C ATOM 969 C LEU A 63 3.123 -1.060 4.619 1.00 0.00 C ATOM 970 O LEU A 63 4.135 -0.360 4.661 1.00 0.00 O ATOM 971 CB LEU A 63 2.624 -1.057 2.171 1.00 0.00 C ATOM 972 CG LEU A 63 2.951 -2.516 1.852 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.698 -3.265 1.429 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.011 -2.591 0.765 1.00 0.00 C ATOM 0 H LEU A 63 1.991 1.229 3.029 1.00 0.00 H new ATOM 0 HA LEU A 63 1.216 -1.492 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.913 -0.691 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.533 -0.465 2.060 1.00 0.00 H new ATOM 0 HG LEU A 63 3.342 -2.989 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.951 -4.301 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.967 -3.236 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.276 -2.796 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.235 -3.635 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.642 -2.103 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.917 -2.089 1.105 1.00 0.00 H new ATOM 986 N LYS A 64 2.901 -2.057 5.474 1.00 0.00 N ATOM 987 CA LYS A 64 3.860 -2.379 6.523 1.00 0.00 C ATOM 988 C LYS A 64 4.680 -3.617 6.168 1.00 0.00 C ATOM 989 O LYS A 64 4.159 -4.733 6.141 1.00 0.00 O ATOM 990 CB LYS A 64 3.135 -2.600 7.852 1.00 0.00 C ATOM 991 CG LYS A 64 3.888 -2.054 9.054 1.00 0.00 C ATOM 992 CD LYS A 64 4.882 -3.067 9.596 1.00 0.00 C ATOM 993 CE LYS A 64 4.302 -3.848 10.764 1.00 0.00 C ATOM 994 NZ LYS A 64 5.357 -4.299 11.712 1.00 0.00 N ATOM 0 H LYS A 64 2.071 -2.650 5.460 1.00 0.00 H new ATOM 0 HA LYS A 64 4.543 -1.535 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.154 -2.128 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.969 -3.668 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.414 -1.142 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.179 -1.784 9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.169 -3.757 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.789 -2.553 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.581 -3.226 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.759 -4.715 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.919 -4.827 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.032 -4.914 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.859 -3.471 12.092 1.00 0.00 H new ATOM 1008 N ILE A 65 5.969 -3.408 5.912 1.00 0.00 N ATOM 1009 CA ILE A 65 6.877 -4.502 5.576 1.00 0.00 C ATOM 1010 C ILE A 65 7.639 -4.952 6.819 1.00 0.00 C ATOM 1011 O ILE A 65 8.317 -4.147 7.458 1.00 0.00 O ATOM 1012 CB ILE A 65 7.902 -4.085 4.503 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.263 -3.134 3.479 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.481 -5.320 3.823 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.157 -2.808 2.299 1.00 0.00 C ATOM 0 H ILE A 65 6.409 -2.488 5.931 1.00 0.00 H new ATOM 0 HA ILE A 65 6.267 -5.316 5.184 1.00 0.00 H new ATOM 0 HB ILE A 65 8.717 -3.548 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.340 -3.581 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.989 -2.206 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.204 -5.014 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.976 -5.946 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.678 -5.885 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.634 -2.132 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.070 -2.331 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.411 -3.727 1.770 1.00 0.00 H new ATOM 1027 N LYS A 66 7.530 -6.230 7.171 1.00 0.00 N ATOM 1028 CA LYS A 66 8.224 -6.742 8.354 1.00 0.00 C ATOM 1029 C LYS A 66 9.624 -7.237 8.009 1.00 0.00 C ATOM 1030 O LYS A 66 10.550 -7.122 8.811 1.00 0.00 O ATOM 1031 CB LYS A 66 7.425 -7.859 9.038 1.00 0.00 C ATOM 1032 CG LYS A 66 6.557 -8.686 8.102 1.00 0.00 C ATOM 1033 CD LYS A 66 5.780 -9.745 8.868 1.00 0.00 C ATOM 1034 CE LYS A 66 4.428 -9.221 9.327 1.00 0.00 C ATOM 1035 NZ LYS A 66 3.635 -8.665 8.196 1.00 0.00 N ATOM 0 H LYS A 66 6.978 -6.922 6.665 1.00 0.00 H new ATOM 0 HA LYS A 66 8.315 -5.909 9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.121 -8.525 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.789 -7.415 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.863 -8.033 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.183 -9.164 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.636 -10.621 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.359 -10.068 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.868 -10.027 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.575 -8.448 10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.659 -8.491 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.062 -7.771 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.630 -9.344 7.408 1.00 0.00 H new ATOM 1049 N ASN A 67 9.769 -7.783 6.814 1.00 0.00 N ATOM 1050 CA ASN A 67 11.056 -8.295 6.353 1.00 0.00 C ATOM 1051 C ASN A 67 11.265 -7.971 4.878 1.00 0.00 C ATOM 1052 O ASN A 67 10.659 -8.595 4.007 1.00 0.00 O ATOM 1053 CB ASN A 67 11.135 -9.807 6.574 1.00 0.00 C ATOM 1054 CG ASN A 67 12.478 -10.382 6.171 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.870 -10.316 5.005 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.192 -10.951 7.135 1.00 0.00 N ATOM 0 H ASN A 67 9.010 -7.885 6.140 1.00 0.00 H new ATOM 0 HA ASN A 67 11.844 -7.812 6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.949 -10.028 7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.347 -10.296 6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.104 -11.356 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.829 -10.983 8.087 1.00 0.00 H new ATOM 1063 N LEU A 68 12.117 -6.988 4.601 1.00 0.00 N ATOM 1064 CA LEU A 68 12.390 -6.584 3.234 1.00 0.00 C ATOM 1065 C LEU A 68 13.030 -7.711 2.438 1.00 0.00 C ATOM 1066 O LEU A 68 13.672 -8.600 2.997 1.00 0.00 O ATOM 1067 CB LEU A 68 13.286 -5.351 3.230 1.00 0.00 C ATOM 1068 CG LEU A 68 12.558 -4.054 3.562 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.468 -3.097 4.315 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.023 -3.408 2.297 1.00 0.00 C ATOM 0 H LEU A 68 12.628 -6.459 5.308 1.00 0.00 H new ATOM 0 HA LEU A 68 11.442 -6.341 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.092 -5.498 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.749 -5.254 2.248 1.00 0.00 H new ATOM 0 HG LEU A 68 11.714 -4.292 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.925 -2.179 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.795 -3.562 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.337 -2.863 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.506 -2.483 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.851 -3.187 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.328 -4.089 1.807 1.00 0.00 H new ATOM 1082 N THR A 69 12.841 -7.661 1.127 1.00 0.00 N ATOM 1083 CA THR A 69 13.391 -8.676 0.234 1.00 0.00 C ATOM 1084 C THR A 69 13.646 -8.107 -1.157 1.00 0.00 C ATOM 1085 O THR A 69 13.044 -7.108 -1.553 1.00 0.00 O ATOM 1086 CB THR A 69 12.442 -9.871 0.147 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.096 -9.439 0.061 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.550 -10.803 1.333 1.00 0.00 C ATOM 0 H THR A 69 12.311 -6.928 0.656 1.00 0.00 H new ATOM 0 HA THR A 69 14.345 -9.006 0.645 1.00 0.00 H new ATOM 0 HB THR A 69 12.739 -10.413 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.505 -10.219 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.851 -11.630 1.211 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.566 -11.193 1.398 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.311 -10.258 2.247 1.00 0.00 H new ATOM 1096 N ARG A 70 14.549 -8.749 -1.894 1.00 0.00 N ATOM 1097 CA ARG A 70 14.898 -8.306 -3.247 1.00 0.00 C ATOM 1098 C ARG A 70 13.650 -8.084 -4.099 1.00 0.00 C ATOM 1099 O ARG A 70 13.445 -6.998 -4.643 1.00 0.00 O ATOM 1100 CB ARG A 70 15.827 -9.317 -3.933 1.00 0.00 C ATOM 1101 CG ARG A 70 15.610 -10.760 -3.499 1.00 0.00 C ATOM 1102 CD ARG A 70 15.842 -11.730 -4.647 1.00 0.00 C ATOM 1103 NE ARG A 70 14.686 -12.594 -4.877 1.00 0.00 N ATOM 1104 CZ ARG A 70 13.606 -12.221 -5.560 1.00 0.00 C ATOM 1105 NH1 ARG A 70 13.526 -11.001 -6.078 1.00 0.00 N ATOM 1106 NH2 ARG A 70 12.601 -13.070 -5.725 1.00 0.00 N ATOM 0 H ARG A 70 15.054 -9.578 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 70 15.423 -7.355 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.686 -9.249 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.861 -9.040 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.285 -10.999 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.594 -10.878 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.062 -11.170 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.716 -12.344 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 70 14.708 -13.538 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.295 -10.343 -5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.695 -10.722 -6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.656 -14.008 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.773 -12.785 -6.248 1.00 0.00 H new ATOM 1120 N ASP A 71 12.819 -9.116 -4.213 1.00 0.00 N ATOM 1121 CA ASP A 71 11.593 -9.028 -4.999 1.00 0.00 C ATOM 1122 C ASP A 71 10.754 -7.822 -4.578 1.00 0.00 C ATOM 1123 O ASP A 71 9.955 -7.308 -5.362 1.00 0.00 O ATOM 1124 CB ASP A 71 10.772 -10.311 -4.850 1.00 0.00 C ATOM 1125 CG ASP A 71 9.502 -10.288 -5.678 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.553 -9.804 -6.829 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.457 -10.752 -5.176 1.00 0.00 O ATOM 0 H ASP A 71 12.972 -10.022 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 71 11.874 -8.902 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.381 -11.165 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.515 -10.454 -3.800 1.00 0.00 H new ATOM 1132 N ASP A 72 10.939 -7.374 -3.340 1.00 0.00 N ATOM 1133 CA ASP A 72 10.197 -6.229 -2.825 1.00 0.00 C ATOM 1134 C ASP A 72 10.875 -4.913 -3.205 1.00 0.00 C ATOM 1135 O ASP A 72 10.268 -3.846 -3.115 1.00 0.00 O ATOM 1136 CB ASP A 72 10.054 -6.328 -1.305 1.00 0.00 C ATOM 1137 CG ASP A 72 8.715 -6.904 -0.890 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.071 -7.570 -1.727 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.310 -6.689 0.272 1.00 0.00 O ATOM 0 H ASP A 72 11.595 -7.786 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 72 9.205 -6.242 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.854 -6.952 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.173 -5.338 -0.866 1.00 0.00 H new ATOM 1144 N SER A 73 12.133 -4.993 -3.633 1.00 0.00 N ATOM 1145 CA SER A 73 12.880 -3.803 -4.027 1.00 0.00 C ATOM 1146 C SER A 73 12.458 -3.347 -5.418 1.00 0.00 C ATOM 1147 O SER A 73 12.481 -4.129 -6.369 1.00 0.00 O ATOM 1148 CB SER A 73 14.384 -4.084 -4.003 1.00 0.00 C ATOM 1149 OG SER A 73 14.802 -4.732 -5.192 1.00 0.00 O ATOM 0 H SER A 73 12.654 -5.866 -3.715 1.00 0.00 H new ATOM 0 HA SER A 73 12.660 -3.008 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.930 -3.148 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.627 -4.706 -3.142 1.00 0.00 H new ATOM 0 HG SER A 73 14.442 -5.643 -5.212 1.00 0.00 H new ATOM 1155 N GLY A 74 12.070 -2.081 -5.535 1.00 0.00 N ATOM 1156 CA GLY A 74 11.648 -1.561 -6.820 1.00 0.00 C ATOM 1157 C GLY A 74 10.688 -0.384 -6.685 1.00 0.00 C ATOM 1158 O GLY A 74 10.968 0.555 -5.939 1.00 0.00 O ATOM 0 H GLY A 74 12.041 -1.410 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.524 -1.248 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.166 -2.356 -7.390 1.00 0.00 H new ATOM 1162 N THR A 75 9.562 -0.414 -7.406 1.00 0.00 N ATOM 1163 CA THR A 75 8.596 0.684 -7.341 1.00 0.00 C ATOM 1164 C THR A 75 7.198 0.169 -6.997 1.00 0.00 C ATOM 1165 O THR A 75 6.687 -0.752 -7.636 1.00 0.00 O ATOM 1166 CB THR A 75 8.580 1.428 -8.682 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.612 2.396 -8.728 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.276 2.139 -8.974 1.00 0.00 C ATOM 0 H THR A 75 9.301 -1.176 -8.032 1.00 0.00 H new ATOM 0 HA THR A 75 8.898 1.370 -6.550 1.00 0.00 H new ATOM 0 HB THR A 75 8.722 0.653 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.394 3.075 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.344 2.641 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.463 1.413 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.081 2.876 -8.195 1.00 0.00 H new ATOM 1176 N TYR A 76 6.578 0.785 -5.993 1.00 0.00 N ATOM 1177 CA TYR A 76 5.231 0.409 -5.574 1.00 0.00 C ATOM 1178 C TYR A 76 4.212 1.380 -6.159 1.00 0.00 C ATOM 1179 O TYR A 76 4.511 2.557 -6.357 1.00 0.00 O ATOM 1180 CB TYR A 76 5.121 0.399 -4.047 1.00 0.00 C ATOM 1181 CG TYR A 76 5.873 -0.735 -3.384 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.245 -0.665 -3.199 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.209 -1.874 -2.940 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.940 -1.695 -2.593 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.897 -2.909 -2.332 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.261 -2.814 -2.161 1.00 0.00 C ATOM 1187 OH TYR A 76 7.949 -3.841 -1.556 1.00 0.00 O ATOM 0 H TYR A 76 6.988 1.548 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 76 5.025 -0.596 -5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.496 1.346 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.069 0.335 -3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.781 0.211 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.140 -1.952 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.009 -1.623 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.368 -3.787 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 76 8.817 -3.957 -1.996 1.00 0.00 H new ATOM 1197 N ASN A 77 3.012 0.885 -6.440 1.00 0.00 N ATOM 1198 CA ASN A 77 1.961 1.720 -7.009 1.00 0.00 C ATOM 1199 C ASN A 77 0.656 1.575 -6.234 1.00 0.00 C ATOM 1200 O ASN A 77 0.113 0.473 -6.112 1.00 0.00 O ATOM 1201 CB ASN A 77 1.733 1.350 -8.476 1.00 0.00 C ATOM 1202 CG ASN A 77 2.565 2.192 -9.424 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.525 3.421 -9.379 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.323 1.530 -10.291 1.00 0.00 N ATOM 0 H ASN A 77 2.743 -0.087 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 77 2.285 2.758 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.974 0.297 -8.623 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.677 1.472 -8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.903 2.042 -10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.325 0.510 -10.292 1.00 0.00 H new ATOM 1211 N VAL A 78 0.146 2.694 -5.721 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.106 2.681 -4.972 1.00 0.00 C ATOM 1213 C VAL A 78 -2.227 3.356 -5.756 1.00 0.00 C ATOM 1214 O VAL A 78 -2.068 4.477 -6.246 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.003 3.375 -3.594 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.833 2.614 -2.570 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.443 3.516 -3.127 1.00 0.00 C ATOM 0 H VAL A 78 0.578 3.614 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.329 1.626 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.399 4.385 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.757 3.107 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.876 2.596 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.462 1.593 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.465 4.009 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.896 2.528 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.002 4.112 -3.849 1.00 0.00 H new ATOM 1227 N THR A 79 -3.367 2.673 -5.848 1.00 0.00 N ATOM 1228 CA THR A 79 -4.530 3.204 -6.546 1.00 0.00 C ATOM 1229 C THR A 79 -5.705 3.317 -5.581 1.00 0.00 C ATOM 1230 O THR A 79 -6.410 2.343 -5.324 1.00 0.00 O ATOM 1231 CB THR A 79 -4.903 2.314 -7.736 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.896 1.348 -7.979 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.110 3.093 -9.016 1.00 0.00 C ATOM 0 H THR A 79 -3.507 1.747 -5.445 1.00 0.00 H new ATOM 0 HA THR A 79 -4.285 4.195 -6.928 1.00 0.00 H new ATOM 0 HB THR A 79 -5.843 1.838 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.155 0.790 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.372 2.407 -9.821 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.916 3.814 -8.877 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.192 3.621 -9.273 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.894 4.513 -5.039 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.967 4.765 -4.082 1.00 0.00 C ATOM 1243 C VAL A 80 -8.269 5.125 -4.793 1.00 0.00 C ATOM 1244 O VAL A 80 -8.283 5.947 -5.708 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.578 5.903 -3.107 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.769 6.346 -2.269 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.425 5.475 -2.206 1.00 0.00 C ATOM 0 H VAL A 80 -5.316 5.328 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.121 3.846 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.253 6.753 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.462 7.146 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.561 6.708 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.138 5.502 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.169 6.291 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.722 4.602 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.558 5.226 -2.818 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.365 4.509 -4.353 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.673 4.773 -4.936 1.00 0.00 C ATOM 1259 C TYR A 81 -11.688 5.137 -3.866 1.00 0.00 C ATOM 1260 O TYR A 81 -11.542 4.778 -2.693 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.180 3.568 -5.710 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.447 3.316 -7.008 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.832 3.955 -8.181 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.372 2.441 -7.062 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.165 3.727 -9.369 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.699 2.207 -8.246 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.100 2.852 -9.396 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.433 2.622 -10.578 1.00 0.00 O ATOM 0 H TYR A 81 -9.370 3.825 -3.596 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.554 5.615 -5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.096 2.683 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.240 3.707 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.666 4.641 -8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.055 1.934 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.476 4.232 -10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.864 1.523 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.708 1.981 -10.425 1.00 0.00 H new ATOM 1278 N SER A 82 -12.721 5.841 -4.300 1.00 0.00 N ATOM 1279 CA SER A 82 -13.796 6.285 -3.419 1.00 0.00 C ATOM 1280 C SER A 82 -14.916 5.254 -3.343 1.00 0.00 C ATOM 1281 O SER A 82 -14.899 4.244 -4.046 1.00 0.00 O ATOM 1282 CB SER A 82 -14.355 7.625 -3.899 1.00 0.00 C ATOM 1283 OG SER A 82 -13.782 8.008 -5.137 1.00 0.00 O ATOM 0 H SER A 82 -12.840 6.122 -5.273 1.00 0.00 H new ATOM 0 HA SER A 82 -13.377 6.405 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.438 7.553 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.157 8.393 -3.151 1.00 0.00 H new ATOM 0 HG SER A 82 -13.754 8.986 -5.196 1.00 0.00 H new ATOM 1289 N THR A 83 -15.892 5.525 -2.482 1.00 0.00 N ATOM 1290 CA THR A 83 -17.032 4.632 -2.305 1.00 0.00 C ATOM 1291 C THR A 83 -17.822 4.484 -3.602 1.00 0.00 C ATOM 1292 O THR A 83 -18.506 3.482 -3.812 1.00 0.00 O ATOM 1293 CB THR A 83 -17.948 5.156 -1.197 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.949 6.572 -1.177 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.553 4.678 0.183 1.00 0.00 C ATOM 0 H THR A 83 -15.916 6.358 -1.894 1.00 0.00 H new ATOM 0 HA THR A 83 -16.649 3.651 -2.022 1.00 0.00 H new ATOM 0 HB THR A 83 -18.938 4.763 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.541 6.889 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.244 5.086 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.590 3.589 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.541 5.014 0.408 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.726 5.487 -4.471 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.436 5.462 -5.745 1.00 0.00 C ATOM 1305 C ASN A 84 -17.537 4.951 -6.868 1.00 0.00 C ATOM 1306 O ASN A 84 -17.729 5.295 -8.034 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.954 6.860 -6.089 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.199 7.225 -5.306 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.929 6.351 -4.837 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.449 8.521 -5.160 1.00 0.00 N ATOM 0 H ASN A 84 -17.165 6.325 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.280 4.779 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.173 7.593 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.171 6.911 -7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.273 8.826 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.817 9.211 -5.565 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.556 4.127 -6.510 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.645 3.582 -7.501 1.00 0.00 C ATOM 1319 C GLY A 85 -14.955 4.659 -8.318 1.00 0.00 C ATOM 1320 O GLY A 85 -14.510 4.406 -9.437 1.00 0.00 O ATOM 0 H GLY A 85 -16.376 3.827 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.892 2.973 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.196 2.921 -8.170 1.00 0.00 H new ATOM 1324 N THR A 86 -14.865 5.861 -7.758 1.00 0.00 N ATOM 1325 CA THR A 86 -14.223 6.975 -8.444 1.00 0.00 C ATOM 1326 C THR A 86 -12.731 7.020 -8.127 1.00 0.00 C ATOM 1327 O THR A 86 -12.291 6.509 -7.097 1.00 0.00 O ATOM 1328 CB THR A 86 -14.883 8.298 -8.047 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.180 8.074 -7.523 1.00 0.00 O ATOM 1330 CG2 THR A 86 -15.013 9.271 -9.198 1.00 0.00 C ATOM 0 H THR A 86 -15.228 6.088 -6.832 1.00 0.00 H new ATOM 0 HA THR A 86 -14.344 6.827 -9.517 1.00 0.00 H new ATOM 0 HB THR A 86 -14.225 8.736 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.585 8.931 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.489 10.187 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.023 9.503 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.621 8.825 -9.985 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.960 7.635 -9.017 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.516 7.744 -8.828 1.00 0.00 C ATOM 1340 C ARG A 87 -10.186 8.886 -7.872 1.00 0.00 C ATOM 1341 O ARG A 87 -10.494 10.046 -8.146 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.804 7.964 -10.168 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.564 7.430 -11.375 1.00 0.00 C ATOM 1344 CD ARG A 87 -11.293 8.541 -12.114 1.00 0.00 C ATOM 1345 NE ARG A 87 -12.740 8.341 -12.115 1.00 0.00 N ATOM 1346 CZ ARG A 87 -13.617 9.277 -12.472 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -13.200 10.477 -12.856 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -14.916 9.011 -12.444 1.00 0.00 N ATOM 0 H ARG A 87 -12.308 8.065 -9.874 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.163 6.807 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.633 9.032 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.825 7.486 -10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.869 6.936 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.282 6.677 -11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.060 9.499 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.933 8.589 -13.142 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.099 7.431 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.202 10.687 -12.879 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.877 11.189 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.242 8.090 -12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.589 9.727 -12.717 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.562 8.550 -6.748 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.196 9.549 -5.752 1.00 0.00 C ATOM 1364 C ILE A 88 -7.713 9.895 -5.829 1.00 0.00 C ATOM 1365 O ILE A 88 -7.346 11.017 -6.176 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.530 9.068 -4.323 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.033 8.812 -4.189 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.062 10.088 -3.287 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.462 8.422 -2.790 1.00 0.00 C ATOM 0 H ILE A 88 -9.300 7.595 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.781 10.441 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.001 8.133 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.574 9.710 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.321 8.021 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.307 9.730 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.984 10.222 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.561 11.041 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.539 8.257 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.950 7.506 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.206 9.222 -2.095 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.861 8.932 -5.490 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.421 9.155 -5.511 1.00 0.00 C ATOM 1383 C LEU A 89 -4.677 8.004 -6.183 1.00 0.00 C ATOM 1384 O LEU A 89 -5.091 6.847 -6.113 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.900 9.347 -4.083 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.375 9.397 -3.945 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.966 10.414 -2.891 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.826 8.019 -3.601 1.00 0.00 C ATOM 0 H LEU A 89 -7.141 7.995 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.236 10.057 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.315 10.272 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.278 8.534 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.953 9.707 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.879 10.435 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.327 11.401 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.398 10.136 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.741 8.073 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.256 7.681 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.087 7.316 -4.392 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.561 8.344 -6.816 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.716 7.370 -7.494 1.00 0.00 C ATOM 1402 C ASN A 90 -1.255 7.756 -7.297 1.00 0.00 C ATOM 1403 O ASN A 90 -0.795 8.762 -7.838 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.053 7.309 -8.986 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.214 5.886 -9.485 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.116 5.591 -10.270 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.340 4.996 -9.029 1.00 0.00 N ATOM 0 H ASN A 90 -3.217 9.302 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.894 6.382 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.974 7.862 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.265 7.803 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.400 4.023 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.609 5.286 -8.380 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.534 6.979 -6.495 1.00 0.00 N ATOM 1415 CA LYS A 91 0.865 7.289 -6.213 1.00 0.00 C ATOM 1416 C LYS A 91 1.805 6.149 -6.588 1.00 0.00 C ATOM 1417 O LYS A 91 1.421 4.980 -6.595 1.00 0.00 O ATOM 1418 CB LYS A 91 1.036 7.627 -4.731 1.00 0.00 C ATOM 1419 CG LYS A 91 0.264 8.860 -4.295 1.00 0.00 C ATOM 1420 CD LYS A 91 0.978 10.138 -4.705 1.00 0.00 C ATOM 1421 CE LYS A 91 0.077 11.352 -4.555 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.838 12.627 -4.664 1.00 0.00 N ATOM 0 H LYS A 91 -0.888 6.141 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 91 1.132 8.148 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.712 6.775 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.095 7.779 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.733 8.841 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.134 8.846 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.871 10.269 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.309 10.055 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.698 11.325 -5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.428 11.312 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.524 13.283 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.854 12.436 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.668 13.054 -5.597 1.00 0.00 H new ATOM 1436 N ALA A 92 3.048 6.516 -6.888 1.00 0.00 N ATOM 1437 CA ALA A 92 4.078 5.556 -7.255 1.00 0.00 C ATOM 1438 C ALA A 92 5.410 5.940 -6.618 1.00 0.00 C ATOM 1439 O ALA A 92 5.906 7.048 -6.821 1.00 0.00 O ATOM 1440 CB ALA A 92 4.213 5.488 -8.765 1.00 0.00 C ATOM 0 H ALA A 92 3.366 7.485 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 92 3.789 4.572 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.986 4.767 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.264 5.178 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.486 6.470 -9.150 1.00 0.00 H new ATOM 1446 N LEU A 93 5.981 5.025 -5.842 1.00 0.00 N ATOM 1447 CA LEU A 93 7.252 5.284 -5.171 1.00 0.00 C ATOM 1448 C LEU A 93 8.299 4.244 -5.550 1.00 0.00 C ATOM 1449 O LEU A 93 7.971 3.194 -6.101 1.00 0.00 O ATOM 1450 CB LEU A 93 7.058 5.293 -3.653 1.00 0.00 C ATOM 1451 CG LEU A 93 5.771 5.960 -3.166 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.580 5.040 -3.372 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.897 6.351 -1.701 1.00 0.00 C ATOM 0 H LEU A 93 5.587 4.101 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 93 7.607 6.262 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.073 4.264 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.907 5.802 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 93 5.609 6.865 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.674 5.533 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.478 4.809 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.732 4.117 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.973 6.824 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.083 5.460 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.725 7.049 -1.581 1.00 0.00 H new ATOM 1465 N ASP A 94 9.559 4.545 -5.247 1.00 0.00 N ATOM 1466 CA ASP A 94 10.662 3.638 -5.547 1.00 0.00 C ATOM 1467 C ASP A 94 11.471 3.336 -4.288 1.00 0.00 C ATOM 1468 O ASP A 94 12.223 4.180 -3.806 1.00 0.00 O ATOM 1469 CB ASP A 94 11.573 4.242 -6.616 1.00 0.00 C ATOM 1470 CG ASP A 94 10.804 4.702 -7.839 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.817 5.449 -7.674 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.191 4.317 -8.963 1.00 0.00 O ATOM 0 H ASP A 94 9.842 5.413 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 94 10.241 2.706 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.115 5.087 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.317 3.504 -6.915 1.00 0.00 H new ATOM 1477 N LEU A 95 11.310 2.127 -3.761 1.00 0.00 N ATOM 1478 CA LEU A 95 12.018 1.705 -2.553 1.00 0.00 C ATOM 1479 C LEU A 95 13.209 0.820 -2.902 1.00 0.00 C ATOM 1480 O LEU A 95 13.039 -0.290 -3.413 1.00 0.00 O ATOM 1481 CB LEU A 95 11.066 0.940 -1.619 1.00 0.00 C ATOM 1482 CG LEU A 95 11.570 0.722 -0.187 1.00 0.00 C ATOM 1483 CD1 LEU A 95 10.405 0.411 0.740 1.00 0.00 C ATOM 1484 CD2 LEU A 95 12.593 -0.402 -0.152 1.00 0.00 C ATOM 0 H LEU A 95 10.692 1.416 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 95 12.382 2.599 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.120 1.480 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.856 -0.033 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 95 12.051 1.637 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.777 0.258 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.702 1.244 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.900 -0.493 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.942 -0.545 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.134 -1.323 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.438 -0.145 -0.791 1.00 0.00 H new ATOM 1496 N ARG A 96 14.414 1.308 -2.615 1.00 0.00 N ATOM 1497 CA ARG A 96 15.625 0.542 -2.892 1.00 0.00 C ATOM 1498 C ARG A 96 16.088 -0.193 -1.638 1.00 0.00 C ATOM 1499 O ARG A 96 16.573 0.423 -0.689 1.00 0.00 O ATOM 1500 CB ARG A 96 16.750 1.442 -3.419 1.00 0.00 C ATOM 1501 CG ARG A 96 16.314 2.860 -3.759 1.00 0.00 C ATOM 1502 CD ARG A 96 15.224 2.883 -4.825 1.00 0.00 C ATOM 1503 NE ARG A 96 15.106 1.608 -5.533 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.939 1.213 -6.493 1.00 0.00 C ATOM 1505 NH1 ARG A 96 16.952 1.987 -6.862 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.760 0.039 -7.085 1.00 0.00 N ATOM 0 H ARG A 96 14.577 2.223 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 96 15.385 -0.187 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.542 1.488 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.179 0.983 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.950 3.353 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 96 17.175 3.430 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.269 3.126 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.439 3.675 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 96 14.340 0.985 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.095 2.890 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.587 1.679 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.984 -0.561 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.398 -0.264 -7.821 1.00 0.00 H new ATOM 1520 N ILE A 97 15.924 -1.513 -1.637 1.00 0.00 N ATOM 1521 CA ILE A 97 16.314 -2.329 -0.493 1.00 0.00 C ATOM 1522 C ILE A 97 17.750 -2.824 -0.615 1.00 0.00 C ATOM 1523 O ILE A 97 18.052 -3.694 -1.430 1.00 0.00 O ATOM 1524 CB ILE A 97 15.390 -3.550 -0.328 1.00 0.00 C ATOM 1525 CG1 ILE A 97 13.927 -3.156 -0.536 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.585 -4.173 1.046 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.017 -4.336 -0.792 1.00 0.00 C ATOM 0 H ILE A 97 15.524 -2.039 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 97 16.227 -1.684 0.382 1.00 0.00 H new ATOM 0 HB ILE A 97 15.653 -4.287 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.574 -2.619 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.860 -2.466 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 97 14.927 -5.035 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.621 -4.492 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.347 -3.439 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.995 -3.984 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.345 -4.860 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.054 -5.016 0.059 1.00 0.00 H new ATOM 1539 N LEU A 98 18.629 -2.271 0.214 1.00 0.00 N ATOM 1540 CA LEU A 98 20.019 -2.653 0.222 1.00 0.00 C ATOM 1541 C LEU A 98 20.177 -4.089 0.708 1.00 0.00 C ATOM 1542 O LEU A 98 19.785 -4.428 1.827 1.00 0.00 O ATOM 1543 CB LEU A 98 20.784 -1.697 1.128 1.00 0.00 C ATOM 1544 CG LEU A 98 21.472 -0.539 0.409 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.227 0.333 1.400 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.409 -1.063 -0.669 1.00 0.00 C ATOM 0 H LEU A 98 18.390 -1.549 0.893 1.00 0.00 H new ATOM 0 HA LEU A 98 20.419 -2.598 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.093 -1.288 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.537 -2.264 1.676 1.00 0.00 H new ATOM 0 HG LEU A 98 20.707 0.073 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.711 1.153 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.530 0.737 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.983 -0.265 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.891 -0.224 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.169 -1.698 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.840 -1.643 -1.396 1.00 0.00 H new