USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 Single : A 3 LYS NZ :NH3+ -109:sc= -0.544 (180deg=-2.45!) USER MOD Single : A 8 ASN : amide:sc= 0.24 X(o=0.24,f=-0.042) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 33:sc= 0.0263 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0463) USER MOD Single : A 36 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.3) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-4.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-4.8!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.926 X(o=-0.93,f=-1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.984 16.690 2.274 1.00 0.00 N ATOM 84 CA VAL A 2 -2.702 15.913 3.278 1.00 0.00 C ATOM 85 C VAL A 2 -2.166 14.488 3.357 1.00 0.00 C ATOM 86 O VAL A 2 -2.293 13.712 2.410 1.00 0.00 O ATOM 87 CB VAL A 2 -4.212 15.866 2.977 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.929 14.979 3.982 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.799 17.269 2.977 1.00 0.00 C ATOM 0 HA VAL A 2 -2.545 16.411 4.235 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.354 15.438 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.995 14.958 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.526 13.968 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.781 15.375 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.866 17.217 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.647 17.727 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.305 17.870 2.214 1.00 0.00 H new ATOM 99 N LYS A 3 -1.566 14.150 4.493 1.00 0.00 N ATOM 100 CA LYS A 3 -1.011 12.817 4.698 1.00 0.00 C ATOM 101 C LYS A 3 -2.118 11.770 4.755 1.00 0.00 C ATOM 102 O LYS A 3 -3.207 12.030 5.269 1.00 0.00 O ATOM 103 CB LYS A 3 -0.190 12.778 5.989 1.00 0.00 C ATOM 104 CG LYS A 3 0.649 11.520 6.138 1.00 0.00 C ATOM 105 CD LYS A 3 1.166 11.360 7.558 1.00 0.00 C ATOM 106 CE LYS A 3 2.218 12.406 7.890 1.00 0.00 C ATOM 107 NZ LYS A 3 1.604 13.700 8.298 1.00 0.00 N ATOM 0 H LYS A 3 -1.451 14.781 5.286 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.361 12.587 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.466 13.648 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.865 12.858 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.052 10.649 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.490 11.558 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.336 11.442 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.591 10.364 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.856 12.037 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.858 12.565 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.753 14.406 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.584 13.567 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.046 14.031 9.179 1.00 0.00 H new ATOM 121 N LEU A 4 -1.833 10.585 4.227 1.00 0.00 N ATOM 122 CA LEU A 4 -2.805 9.497 4.219 1.00 0.00 C ATOM 123 C LEU A 4 -2.240 8.258 4.907 1.00 0.00 C ATOM 124 O LEU A 4 -1.213 7.720 4.494 1.00 0.00 O ATOM 125 CB LEU A 4 -3.208 9.157 2.783 1.00 0.00 C ATOM 126 CG LEU A 4 -3.850 10.290 1.981 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.822 9.973 0.494 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.277 10.533 2.450 1.00 0.00 C ATOM 0 H LEU A 4 -0.937 10.353 3.799 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.687 9.826 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.321 8.817 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.904 8.318 2.811 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.274 11.200 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.283 10.790 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.789 9.850 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.374 9.051 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.718 11.342 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.865 9.625 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.272 10.806 3.505 1.00 0.00 H new ATOM 140 N PHE A 5 -2.920 7.809 5.956 1.00 0.00 N ATOM 141 CA PHE A 5 -2.487 6.632 6.701 1.00 0.00 C ATOM 142 C PHE A 5 -2.988 5.353 6.036 1.00 0.00 C ATOM 143 O PHE A 5 -4.169 5.232 5.711 1.00 0.00 O ATOM 144 CB PHE A 5 -2.992 6.701 8.144 1.00 0.00 C ATOM 145 CG PHE A 5 -2.897 5.393 8.876 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.733 4.338 8.548 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.971 5.218 9.891 1.00 0.00 C ATOM 148 CE1 PHE A 5 -3.648 3.134 9.221 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.880 4.016 10.567 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.719 2.972 10.231 1.00 0.00 C ATOM 0 H PHE A 5 -3.773 8.242 6.310 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.397 6.616 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.419 7.454 8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.030 7.032 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.459 4.458 7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.312 6.031 10.158 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.307 2.320 8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.154 3.893 11.357 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.649 2.031 10.756 1.00 0.00 H new ATOM 160 N ILE A 6 -2.081 4.403 5.838 1.00 0.00 N ATOM 161 CA ILE A 6 -2.430 3.133 5.212 1.00 0.00 C ATOM 162 C ILE A 6 -1.921 1.956 6.037 1.00 0.00 C ATOM 163 O ILE A 6 -0.715 1.752 6.169 1.00 0.00 O ATOM 164 CB ILE A 6 -1.857 3.032 3.786 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.276 4.248 2.957 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.319 1.745 3.120 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.770 4.211 1.532 1.00 0.00 C ATOM 0 H ILE A 6 -1.099 4.488 6.102 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.518 3.095 5.161 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.769 3.016 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.364 4.313 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.908 5.152 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.906 1.688 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.975 0.890 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.408 1.733 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.105 5.104 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.681 4.178 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.159 3.325 1.030 1.00 0.00 H new ATOM 179 N GLY A 7 -2.850 1.182 6.590 1.00 0.00 N ATOM 180 CA GLY A 7 -2.476 0.033 7.394 1.00 0.00 C ATOM 181 C GLY A 7 -2.823 -1.282 6.723 1.00 0.00 C ATOM 182 O GLY A 7 -3.429 -1.299 5.653 1.00 0.00 O ATOM 0 H GLY A 7 -3.855 1.330 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.405 0.065 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.980 0.089 8.359 1.00 0.00 H new ATOM 186 N ASN A 8 -2.435 -2.386 7.353 1.00 0.00 N ATOM 187 CA ASN A 8 -2.707 -3.711 6.808 1.00 0.00 C ATOM 188 C ASN A 8 -2.099 -3.863 5.417 1.00 0.00 C ATOM 189 O ASN A 8 -2.743 -4.373 4.499 1.00 0.00 O ATOM 190 CB ASN A 8 -4.215 -3.962 6.749 1.00 0.00 C ATOM 191 CG ASN A 8 -4.563 -5.432 6.889 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.380 -5.810 7.728 1.00 0.00 O ATOM 193 ND2 ASN A 8 -3.941 -6.267 6.065 1.00 0.00 N ATOM 0 H ASN A 8 -1.932 -2.389 8.240 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.249 -4.448 7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.706 -3.398 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.606 -3.587 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.133 -7.268 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.271 -5.908 5.385 1.00 0.00 H new ATOM 200 N LEU A 9 -0.857 -3.417 5.268 1.00 0.00 N ATOM 201 CA LEU A 9 -0.161 -3.504 3.989 1.00 0.00 C ATOM 202 C LEU A 9 0.600 -4.820 3.871 1.00 0.00 C ATOM 203 O LEU A 9 1.222 -5.293 4.822 1.00 0.00 O ATOM 204 CB LEU A 9 0.803 -2.327 3.830 1.00 0.00 C ATOM 205 CG LEU A 9 0.163 -0.968 3.544 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.221 0.124 3.514 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.605 -1.006 2.231 1.00 0.00 C ATOM 0 H LEU A 9 -0.311 -2.991 6.017 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.906 -3.465 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.395 -2.243 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.495 -2.557 3.020 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.540 -0.742 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.747 1.084 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.727 0.167 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.949 -0.096 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.054 -0.031 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.077 -1.254 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.389 -1.761 2.290 1.00 0.00 H new ATOM 219 N PRO A 10 0.554 -5.426 2.675 1.00 0.00 N ATOM 220 CA PRO A 10 1.237 -6.694 2.403 1.00 0.00 C ATOM 221 C PRO A 10 2.735 -6.511 2.183 1.00 0.00 C ATOM 222 O PRO A 10 3.240 -5.389 2.194 1.00 0.00 O ATOM 223 CB PRO A 10 0.565 -7.191 1.121 1.00 0.00 C ATOM 224 CG PRO A 10 0.110 -5.953 0.427 1.00 0.00 C ATOM 225 CD PRO A 10 -0.167 -4.918 1.496 1.00 0.00 C ATOM 0 HA PRO A 10 1.156 -7.388 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.261 -7.758 0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.273 -7.851 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.873 -5.597 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.787 -6.149 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.193 -3.933 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.235 -4.821 1.692 1.00 0.00 H new ATOM 233 N ARG A 11 3.439 -7.620 1.982 1.00 0.00 N ATOM 234 CA ARG A 11 4.879 -7.581 1.760 1.00 0.00 C ATOM 235 C ARG A 11 5.196 -7.234 0.309 1.00 0.00 C ATOM 236 O ARG A 11 6.274 -6.725 0.004 1.00 0.00 O ATOM 237 CB ARG A 11 5.509 -8.927 2.123 1.00 0.00 C ATOM 238 CG ARG A 11 5.950 -9.022 3.574 1.00 0.00 C ATOM 239 CD ARG A 11 6.564 -10.379 3.882 1.00 0.00 C ATOM 240 NE ARG A 11 7.943 -10.475 3.413 1.00 0.00 N ATOM 241 CZ ARG A 11 8.627 -11.613 3.367 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.061 -12.746 3.758 1.00 0.00 N ATOM 243 NH2 ARG A 11 9.879 -11.619 2.927 1.00 0.00 N ATOM 0 H ARG A 11 3.035 -8.557 1.968 1.00 0.00 H new ATOM 0 HA ARG A 11 5.299 -6.806 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.792 -9.721 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.370 -9.101 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.675 -8.237 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.094 -8.852 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.534 -10.555 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.967 -11.162 3.414 1.00 0.00 H new ATOM 0 HE ARG A 11 8.407 -9.621 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.098 -12.745 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.588 -13.618 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.317 -10.749 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.403 -12.493 2.892 1.00 0.00 H new ATOM 257 N GLU A 12 4.249 -7.513 -0.582 1.00 0.00 N ATOM 258 CA GLU A 12 4.429 -7.230 -2.001 1.00 0.00 C ATOM 259 C GLU A 12 4.289 -5.737 -2.281 1.00 0.00 C ATOM 260 O GLU A 12 4.955 -5.195 -3.162 1.00 0.00 O ATOM 261 CB GLU A 12 3.410 -8.013 -2.832 1.00 0.00 C ATOM 262 CG GLU A 12 3.659 -9.512 -2.846 1.00 0.00 C ATOM 263 CD GLU A 12 3.728 -10.105 -1.452 1.00 0.00 C ATOM 264 OE1 GLU A 12 2.672 -10.516 -0.928 1.00 0.00 O ATOM 265 OE2 GLU A 12 4.840 -10.158 -0.884 1.00 0.00 O ATOM 0 H GLU A 12 3.350 -7.934 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 12 5.435 -7.542 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.411 -7.823 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.426 -7.641 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.864 -10.003 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.592 -9.717 -3.370 1.00 0.00 H new ATOM 272 N ALA A 13 3.418 -5.078 -1.524 1.00 0.00 N ATOM 273 CA ALA A 13 3.191 -3.648 -1.688 1.00 0.00 C ATOM 274 C ALA A 13 4.506 -2.904 -1.896 1.00 0.00 C ATOM 275 O ALA A 13 5.517 -3.220 -1.268 1.00 0.00 O ATOM 276 CB ALA A 13 2.451 -3.088 -0.482 1.00 0.00 C ATOM 0 H ALA A 13 2.858 -5.512 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 13 2.576 -3.503 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.289 -2.019 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.489 -3.591 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.044 -3.253 0.418 1.00 0.00 H new ATOM 282 N THR A 14 4.487 -1.913 -2.782 1.00 0.00 N ATOM 283 CA THR A 14 5.678 -1.125 -3.074 1.00 0.00 C ATOM 284 C THR A 14 5.355 0.364 -3.115 1.00 0.00 C ATOM 285 O THR A 14 4.319 0.770 -3.641 1.00 0.00 O ATOM 286 CB THR A 14 6.310 -1.539 -4.416 1.00 0.00 C ATOM 287 OG1 THR A 14 5.296 -1.651 -5.422 1.00 0.00 O ATOM 288 CG2 THR A 14 7.046 -2.864 -4.282 1.00 0.00 C ATOM 0 H THR A 14 3.659 -1.637 -3.310 1.00 0.00 H new ATOM 0 HA THR A 14 6.390 -1.318 -2.271 1.00 0.00 H new ATOM 0 HB THR A 14 7.027 -0.771 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.706 -1.913 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.484 -3.136 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.836 -2.768 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.346 -3.639 -3.970 1.00 0.00 H new ATOM 296 N GLU A 15 6.250 1.174 -2.558 1.00 0.00 N ATOM 297 CA GLU A 15 6.059 2.619 -2.532 1.00 0.00 C ATOM 298 C GLU A 15 5.354 3.098 -3.797 1.00 0.00 C ATOM 299 O GLU A 15 4.368 3.832 -3.730 1.00 0.00 O ATOM 300 CB GLU A 15 7.406 3.331 -2.385 1.00 0.00 C ATOM 301 CG GLU A 15 7.883 3.440 -0.947 1.00 0.00 C ATOM 302 CD GLU A 15 9.388 3.595 -0.842 1.00 0.00 C ATOM 303 OE1 GLU A 15 10.098 2.573 -0.947 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.856 4.738 -0.654 1.00 0.00 O ATOM 0 H GLU A 15 7.113 0.854 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 15 5.432 2.861 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.156 2.796 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.327 4.332 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.400 4.293 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.574 2.551 -0.397 1.00 0.00 H new ATOM 311 N GLN A 16 5.866 2.677 -4.949 1.00 0.00 N ATOM 312 CA GLN A 16 5.286 3.064 -6.229 1.00 0.00 C ATOM 313 C GLN A 16 3.821 2.648 -6.311 1.00 0.00 C ATOM 314 O GLN A 16 2.927 3.493 -6.332 1.00 0.00 O ATOM 315 CB GLN A 16 6.072 2.434 -7.380 1.00 0.00 C ATOM 316 CG GLN A 16 7.269 3.260 -7.823 1.00 0.00 C ATOM 317 CD GLN A 16 8.195 2.496 -8.749 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.765 1.600 -9.475 1.00 0.00 O ATOM 319 NE2 GLN A 16 9.476 2.847 -8.728 1.00 0.00 N ATOM 0 H GLN A 16 6.681 2.068 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 16 5.342 4.149 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.416 1.445 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.405 2.292 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.918 4.160 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.827 3.585 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.790 3.596 -8.110 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.146 2.368 -9.329 1.00 0.00 H new ATOM 328 N GLU A 17 3.584 1.341 -6.357 1.00 0.00 N ATOM 329 CA GLU A 17 2.227 0.814 -6.438 1.00 0.00 C ATOM 330 C GLU A 17 1.255 1.691 -5.653 1.00 0.00 C ATOM 331 O GLU A 17 0.246 2.151 -6.190 1.00 0.00 O ATOM 332 CB GLU A 17 2.180 -0.620 -5.906 1.00 0.00 C ATOM 333 CG GLU A 17 2.823 -1.635 -6.836 1.00 0.00 C ATOM 334 CD GLU A 17 1.928 -2.009 -8.001 1.00 0.00 C ATOM 335 OE1 GLU A 17 1.573 -1.107 -8.788 1.00 0.00 O ATOM 336 OE2 GLU A 17 1.582 -3.202 -8.126 1.00 0.00 O ATOM 0 H GLU A 17 4.313 0.628 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 17 1.926 0.815 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.682 -0.657 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.141 -0.902 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.760 -1.229 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.072 -2.533 -6.271 1.00 0.00 H new ATOM 343 N ILE A 18 1.566 1.917 -4.382 1.00 0.00 N ATOM 344 CA ILE A 18 0.721 2.738 -3.524 1.00 0.00 C ATOM 345 C ILE A 18 0.575 4.149 -4.084 1.00 0.00 C ATOM 346 O ILE A 18 -0.527 4.694 -4.140 1.00 0.00 O ATOM 347 CB ILE A 18 1.285 2.823 -2.093 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.263 1.444 -1.430 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.491 3.825 -1.269 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.068 0.736 -1.553 1.00 0.00 C ATOM 0 H ILE A 18 2.397 1.543 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.257 2.258 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 18 2.319 3.164 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.039 0.822 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.511 1.553 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.902 3.874 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.553 4.809 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.552 3.512 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.011 -0.235 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.845 1.337 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.309 0.595 -2.607 1.00 0.00 H new ATOM 362 N ARG A 19 1.694 4.733 -4.501 1.00 0.00 N ATOM 363 CA ARG A 19 1.690 6.080 -5.058 1.00 0.00 C ATOM 364 C ARG A 19 0.733 6.176 -6.243 1.00 0.00 C ATOM 365 O ARG A 19 -0.230 6.942 -6.215 1.00 0.00 O ATOM 366 CB ARG A 19 3.101 6.477 -5.496 1.00 0.00 C ATOM 367 CG ARG A 19 3.162 7.818 -6.211 1.00 0.00 C ATOM 368 CD ARG A 19 4.366 7.900 -7.137 1.00 0.00 C ATOM 369 NE ARG A 19 5.581 8.280 -6.422 1.00 0.00 N ATOM 370 CZ ARG A 19 6.754 8.470 -7.016 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.869 8.317 -8.328 1.00 0.00 N ATOM 372 NH2 ARG A 19 7.815 8.815 -6.297 1.00 0.00 N ATOM 0 H ARG A 19 2.614 4.294 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 19 1.350 6.766 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.748 6.512 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.499 5.705 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.248 7.967 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.211 8.622 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.517 6.935 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.168 8.625 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 19 5.526 8.406 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.056 8.053 -8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.771 8.464 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.730 8.934 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.715 8.961 -6.754 1.00 0.00 H new ATOM 386 N SER A 20 1.005 5.393 -7.282 1.00 0.00 N ATOM 387 CA SER A 20 0.170 5.392 -8.478 1.00 0.00 C ATOM 388 C SER A 20 -1.310 5.381 -8.108 1.00 0.00 C ATOM 389 O SER A 20 -2.078 6.237 -8.546 1.00 0.00 O ATOM 390 CB SER A 20 0.498 4.182 -9.353 1.00 0.00 C ATOM 391 OG SER A 20 -0.278 4.184 -10.539 1.00 0.00 O ATOM 0 H SER A 20 1.797 4.751 -7.320 1.00 0.00 H new ATOM 0 HA SER A 20 0.379 6.304 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.558 4.191 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.312 3.265 -8.795 1.00 0.00 H new ATOM 0 HG SER A 20 -0.048 3.401 -11.082 1.00 0.00 H new ATOM 397 N LEU A 21 -1.703 4.404 -7.297 1.00 0.00 N ATOM 398 CA LEU A 21 -3.091 4.279 -6.867 1.00 0.00 C ATOM 399 C LEU A 21 -3.697 5.649 -6.580 1.00 0.00 C ATOM 400 O LEU A 21 -4.837 5.925 -6.955 1.00 0.00 O ATOM 401 CB LEU A 21 -3.181 3.397 -5.620 1.00 0.00 C ATOM 402 CG LEU A 21 -3.066 1.890 -5.854 1.00 0.00 C ATOM 403 CD1 LEU A 21 -2.992 1.149 -4.528 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.239 1.388 -6.684 1.00 0.00 C ATOM 0 H LEU A 21 -1.080 3.687 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.656 3.814 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.394 3.698 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.132 3.596 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.147 1.696 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.911 0.078 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.119 1.488 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.893 1.349 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.141 0.314 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.171 1.594 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.246 1.896 -7.648 1.00 0.00 H new ATOM 416 N PHE A 22 -2.927 6.503 -5.914 1.00 0.00 N ATOM 417 CA PHE A 22 -3.388 7.845 -5.578 1.00 0.00 C ATOM 418 C PHE A 22 -3.244 8.785 -6.772 1.00 0.00 C ATOM 419 O PHE A 22 -4.042 9.704 -6.950 1.00 0.00 O ATOM 420 CB PHE A 22 -2.602 8.393 -4.385 1.00 0.00 C ATOM 421 CG PHE A 22 -2.968 7.748 -3.079 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.123 8.116 -2.409 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.156 6.773 -2.522 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.461 7.525 -1.206 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.489 6.178 -1.320 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.644 6.553 -0.662 1.00 0.00 C ATOM 0 H PHE A 22 -1.981 6.290 -5.596 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.443 7.784 -5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.537 8.250 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.772 9.467 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.767 8.873 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.253 6.475 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.363 7.823 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.847 5.421 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.908 6.087 0.276 1.00 0.00 H new ATOM 436 N GLU A 23 -2.220 8.546 -7.585 1.00 0.00 N ATOM 437 CA GLU A 23 -1.970 9.372 -8.761 1.00 0.00 C ATOM 438 C GLU A 23 -3.200 9.421 -9.662 1.00 0.00 C ATOM 439 O GLU A 23 -3.297 10.266 -10.551 1.00 0.00 O ATOM 440 CB GLU A 23 -0.771 8.833 -9.544 1.00 0.00 C ATOM 441 CG GLU A 23 0.557 9.024 -8.832 1.00 0.00 C ATOM 442 CD GLU A 23 1.744 8.666 -9.705 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.854 9.225 -10.816 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.563 7.825 -9.276 1.00 0.00 O ATOM 0 H GLU A 23 -1.551 7.788 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.748 10.384 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.921 7.771 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.728 9.329 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.647 10.062 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.574 8.409 -7.932 1.00 0.00 H new ATOM 451 N GLN A 24 -4.137 8.508 -9.425 1.00 0.00 N ATOM 452 CA GLN A 24 -5.361 8.447 -10.216 1.00 0.00 C ATOM 453 C GLN A 24 -6.382 9.464 -9.719 1.00 0.00 C ATOM 454 O GLN A 24 -7.185 9.984 -10.495 1.00 0.00 O ATOM 455 CB GLN A 24 -5.957 7.040 -10.163 1.00 0.00 C ATOM 456 CG GLN A 24 -5.089 5.985 -10.830 1.00 0.00 C ATOM 457 CD GLN A 24 -5.571 4.574 -10.558 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.734 4.246 -10.798 1.00 0.00 O ATOM 459 NE2 GLN A 24 -4.679 3.730 -10.054 1.00 0.00 N ATOM 0 H GLN A 24 -4.072 7.801 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.109 8.689 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.117 6.761 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.935 7.051 -10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.075 6.159 -11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.063 6.088 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.726 4.044 -9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.946 2.767 -9.850 1.00 0.00 H new ATOM 468 N TYR A 25 -6.347 9.744 -8.421 1.00 0.00 N ATOM 469 CA TYR A 25 -7.272 10.697 -7.819 1.00 0.00 C ATOM 470 C TYR A 25 -6.536 11.948 -7.349 1.00 0.00 C ATOM 471 O TYR A 25 -7.117 12.819 -6.703 1.00 0.00 O ATOM 472 CB TYR A 25 -8.007 10.053 -6.643 1.00 0.00 C ATOM 473 CG TYR A 25 -8.482 8.645 -6.923 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.639 7.557 -6.740 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.776 8.404 -7.371 1.00 0.00 C ATOM 476 CE1 TYR A 25 -8.069 6.269 -6.996 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.214 7.120 -7.628 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.357 6.056 -7.439 1.00 0.00 C ATOM 479 OH TYR A 25 -9.790 4.774 -7.694 1.00 0.00 O ATOM 0 H TYR A 25 -5.688 9.324 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.998 10.988 -8.578 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.346 10.039 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.865 10.671 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.630 7.720 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.450 9.235 -7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.400 5.434 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.222 6.950 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.722 4.798 -7.998 1.00 0.00 H new ATOM 489 N GLY A 26 -5.251 12.031 -7.681 1.00 0.00 N ATOM 490 CA GLY A 26 -4.455 13.178 -7.286 1.00 0.00 C ATOM 491 C GLY A 26 -2.973 12.863 -7.225 1.00 0.00 C ATOM 492 O GLY A 26 -2.582 11.738 -6.913 1.00 0.00 O ATOM 0 H GLY A 26 -4.747 11.324 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.621 13.992 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.789 13.529 -6.310 1.00 0.00 H new ATOM 496 N LYS A 27 -2.145 13.858 -7.526 1.00 0.00 N ATOM 497 CA LYS A 27 -0.698 13.682 -7.504 1.00 0.00 C ATOM 498 C LYS A 27 -0.200 13.439 -6.083 1.00 0.00 C ATOM 499 O LYS A 27 -0.718 14.015 -5.126 1.00 0.00 O ATOM 500 CB LYS A 27 -0.006 14.913 -8.095 1.00 0.00 C ATOM 501 CG LYS A 27 1.511 14.833 -8.059 1.00 0.00 C ATOM 502 CD LYS A 27 2.144 15.823 -9.022 1.00 0.00 C ATOM 503 CE LYS A 27 2.223 17.217 -8.418 1.00 0.00 C ATOM 504 NZ LYS A 27 3.056 18.134 -9.244 1.00 0.00 N ATOM 0 H LYS A 27 -2.452 14.795 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.454 12.809 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.330 15.041 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.328 15.799 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.863 15.033 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.829 13.822 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.145 15.484 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.563 15.857 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.218 17.628 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.640 17.154 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.085 19.073 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.022 17.755 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.644 18.215 -10.196 1.00 0.00 H new ATOM 518 N VAL A 28 0.808 12.583 -5.952 1.00 0.00 N ATOM 519 CA VAL A 28 1.378 12.266 -4.648 1.00 0.00 C ATOM 520 C VAL A 28 2.705 12.986 -4.438 1.00 0.00 C ATOM 521 O VAL A 28 3.571 12.983 -5.314 1.00 0.00 O ATOM 522 CB VAL A 28 1.597 10.750 -4.485 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.417 10.461 -3.237 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.262 10.022 -4.437 1.00 0.00 C ATOM 0 H VAL A 28 1.247 12.096 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 28 0.662 12.605 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 28 2.153 10.385 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.562 9.385 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.387 10.952 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.891 10.839 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.435 8.952 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.322 10.388 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.285 10.203 -5.362 1.00 0.00 H new ATOM 534 N LEU A 29 2.859 13.602 -3.272 1.00 0.00 N ATOM 535 CA LEU A 29 4.083 14.327 -2.945 1.00 0.00 C ATOM 536 C LEU A 29 5.125 13.391 -2.342 1.00 0.00 C ATOM 537 O LEU A 29 6.288 13.399 -2.746 1.00 0.00 O ATOM 538 CB LEU A 29 3.779 15.466 -1.971 1.00 0.00 C ATOM 539 CG LEU A 29 2.585 16.353 -2.326 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.295 17.334 -1.200 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.841 17.095 -3.630 1.00 0.00 C ATOM 0 H LEU A 29 2.152 13.615 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 29 4.487 14.744 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.606 15.037 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.664 16.097 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 29 1.711 15.716 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.442 17.957 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.067 16.783 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.168 17.966 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.981 17.721 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.727 17.721 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.998 16.375 -4.433 1.00 0.00 H new ATOM 553 N GLU A 30 4.701 12.584 -1.375 1.00 0.00 N ATOM 554 CA GLU A 30 5.598 11.642 -0.718 1.00 0.00 C ATOM 555 C GLU A 30 4.907 10.301 -0.489 1.00 0.00 C ATOM 556 O GLU A 30 3.678 10.220 -0.465 1.00 0.00 O ATOM 557 CB GLU A 30 6.084 12.211 0.617 1.00 0.00 C ATOM 558 CG GLU A 30 7.356 13.035 0.500 1.00 0.00 C ATOM 559 CD GLU A 30 7.465 14.094 1.580 1.00 0.00 C ATOM 560 OE1 GLU A 30 6.413 14.556 2.068 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.605 14.461 1.936 1.00 0.00 O ATOM 0 H GLU A 30 3.742 12.564 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 30 6.456 11.483 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.297 12.832 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.256 11.389 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.220 12.373 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.385 13.514 -0.478 1.00 0.00 H new ATOM 568 N CYS A 31 5.704 9.252 -0.322 1.00 0.00 N ATOM 569 CA CYS A 31 5.170 7.913 -0.097 1.00 0.00 C ATOM 570 C CYS A 31 6.192 7.032 0.614 1.00 0.00 C ATOM 571 O CYS A 31 7.228 6.685 0.047 1.00 0.00 O ATOM 572 CB CYS A 31 4.763 7.274 -1.425 1.00 0.00 C ATOM 573 SG CYS A 31 6.107 7.155 -2.629 1.00 0.00 S ATOM 0 H CYS A 31 6.723 9.302 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 31 4.290 8.002 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.374 6.275 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.949 7.854 -1.861 1.00 0.00 H new ATOM 0 HG CYS A 31 7.231 6.959 -2.006 1.00 0.00 H new ATOM 579 N ASP A 32 5.893 6.675 1.858 1.00 0.00 N ATOM 580 CA ASP A 32 6.787 5.835 2.647 1.00 0.00 C ATOM 581 C ASP A 32 6.081 4.557 3.089 1.00 0.00 C ATOM 582 O ASP A 32 4.853 4.470 3.053 1.00 0.00 O ATOM 583 CB ASP A 32 7.294 6.601 3.870 1.00 0.00 C ATOM 584 CG ASP A 32 8.580 7.353 3.589 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.665 6.764 3.773 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.501 8.532 3.184 1.00 0.00 O ATOM 0 H ASP A 32 5.039 6.954 2.342 1.00 0.00 H new ATOM 0 HA ASP A 32 7.637 5.562 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.529 7.305 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.457 5.903 4.691 1.00 0.00 H new ATOM 591 N ILE A 33 6.865 3.568 3.505 1.00 0.00 N ATOM 592 CA ILE A 33 6.314 2.295 3.953 1.00 0.00 C ATOM 593 C ILE A 33 7.121 1.727 5.116 1.00 0.00 C ATOM 594 O ILE A 33 8.224 1.214 4.928 1.00 0.00 O ATOM 595 CB ILE A 33 6.283 1.261 2.812 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.371 1.744 1.682 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.819 -0.090 3.334 1.00 0.00 C ATOM 598 CD1 ILE A 33 5.394 0.850 0.463 1.00 0.00 C ATOM 0 H ILE A 33 7.883 3.624 3.541 1.00 0.00 H new ATOM 0 HA ILE A 33 5.293 2.491 4.282 1.00 0.00 H new ATOM 0 HB ILE A 33 7.292 1.148 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.349 1.811 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.670 2.751 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.802 -0.810 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.504 -0.436 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.817 0.006 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.725 1.254 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.408 0.803 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.066 -0.152 0.740 1.00 0.00 H new ATOM 610 N ILE A 34 6.562 1.820 6.318 1.00 0.00 N ATOM 611 CA ILE A 34 7.227 1.313 7.511 1.00 0.00 C ATOM 612 C ILE A 34 6.219 0.739 8.501 1.00 0.00 C ATOM 613 O ILE A 34 5.051 1.127 8.511 1.00 0.00 O ATOM 614 CB ILE A 34 8.046 2.414 8.211 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.751 3.292 7.174 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.057 1.797 9.166 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.191 4.633 7.717 1.00 0.00 C ATOM 0 H ILE A 34 5.650 2.242 6.491 1.00 0.00 H new ATOM 0 HA ILE A 34 7.902 0.522 7.183 1.00 0.00 H new ATOM 0 HB ILE A 34 7.366 3.040 8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.622 2.760 6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.080 3.453 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.628 2.588 9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.533 1.210 9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.735 1.150 8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.683 5.202 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.321 5.185 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.887 4.481 8.542 1.00 0.00 H new ATOM 629 N LYS A 35 6.679 -0.188 9.335 1.00 0.00 N ATOM 630 CA LYS A 35 5.820 -0.815 10.332 1.00 0.00 C ATOM 631 C LYS A 35 4.525 -1.314 9.699 1.00 0.00 C ATOM 632 O LYS A 35 3.434 -1.029 10.189 1.00 0.00 O ATOM 633 CB LYS A 35 5.503 0.174 11.456 1.00 0.00 C ATOM 634 CG LYS A 35 6.500 0.133 12.601 1.00 0.00 C ATOM 635 CD LYS A 35 5.963 0.843 13.833 1.00 0.00 C ATOM 636 CE LYS A 35 7.082 1.213 14.795 1.00 0.00 C ATOM 637 NZ LYS A 35 7.868 2.380 14.309 1.00 0.00 N ATOM 0 H LYS A 35 7.643 -0.522 9.340 1.00 0.00 H new ATOM 0 HA LYS A 35 6.353 -1.670 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.477 1.183 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.507 -0.038 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.729 -0.904 12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.434 0.600 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.429 1.744 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.243 0.200 14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.659 1.442 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.745 0.358 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.482 2.728 15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.453 2.091 13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.219 3.137 14.015 1.00 0.00 H new ATOM 651 N ASN A 36 4.655 -2.060 8.607 1.00 0.00 N ATOM 652 CA ASN A 36 3.495 -2.599 7.907 1.00 0.00 C ATOM 653 C ASN A 36 2.478 -1.500 7.613 1.00 0.00 C ATOM 654 O ASN A 36 1.286 -1.767 7.461 1.00 0.00 O ATOM 655 CB ASN A 36 2.841 -3.705 8.737 1.00 0.00 C ATOM 656 CG ASN A 36 3.847 -4.475 9.571 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.042 -4.185 10.751 1.00 0.00 O ATOM 658 ND2 ASN A 36 4.492 -5.460 8.958 1.00 0.00 N ATOM 0 H ASN A 36 5.552 -2.305 8.188 1.00 0.00 H new ATOM 0 HA ASN A 36 3.836 -3.018 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.089 -3.266 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.321 -4.395 8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.182 -6.012 9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.298 -5.665 7.978 1.00 0.00 H new ATOM 665 N TYR A 37 2.958 -0.264 7.533 1.00 0.00 N ATOM 666 CA TYR A 37 2.091 0.876 7.259 1.00 0.00 C ATOM 667 C TYR A 37 2.737 1.821 6.251 1.00 0.00 C ATOM 668 O TYR A 37 3.961 1.919 6.170 1.00 0.00 O ATOM 669 CB TYR A 37 1.779 1.629 8.554 1.00 0.00 C ATOM 670 CG TYR A 37 2.868 2.593 8.971 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.172 3.705 8.196 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.592 2.390 10.139 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.166 4.588 8.573 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.586 3.268 10.524 1.00 0.00 C ATOM 675 CZ TYR A 37 4.869 4.365 9.738 1.00 0.00 C ATOM 676 OH TYR A 37 5.860 5.242 10.117 1.00 0.00 O ATOM 0 H TYR A 37 3.942 -0.026 7.654 1.00 0.00 H new ATOM 0 HA TYR A 37 1.161 0.499 6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.846 2.179 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.618 0.907 9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.622 3.882 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.374 1.531 10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.391 5.447 7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.139 3.096 11.436 1.00 0.00 H new ATOM 0 HH TYR A 37 6.257 4.942 10.961 1.00 0.00 H new ATOM 686 N GLY A 38 1.904 2.517 5.483 1.00 0.00 N ATOM 687 CA GLY A 38 2.410 3.446 4.490 1.00 0.00 C ATOM 688 C GLY A 38 1.726 4.797 4.558 1.00 0.00 C ATOM 689 O GLY A 38 0.531 4.883 4.840 1.00 0.00 O ATOM 0 H GLY A 38 0.887 2.454 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.482 3.578 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.271 3.022 3.496 1.00 0.00 H new ATOM 693 N PHE A 39 2.486 5.857 4.301 1.00 0.00 N ATOM 694 CA PHE A 39 1.946 7.211 4.337 1.00 0.00 C ATOM 695 C PHE A 39 1.984 7.848 2.951 1.00 0.00 C ATOM 696 O PHE A 39 3.042 7.951 2.331 1.00 0.00 O ATOM 697 CB PHE A 39 2.735 8.071 5.327 1.00 0.00 C ATOM 698 CG PHE A 39 2.492 7.706 6.764 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.208 7.460 7.223 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.548 7.609 7.656 1.00 0.00 C ATOM 701 CE1 PHE A 39 0.981 7.124 8.544 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.327 7.272 8.978 1.00 0.00 C ATOM 703 CZ PHE A 39 2.042 7.031 9.423 1.00 0.00 C ATOM 0 H PHE A 39 3.477 5.804 4.066 1.00 0.00 H new ATOM 0 HA PHE A 39 0.908 7.153 4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.799 7.976 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.472 9.118 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.374 7.532 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.555 7.799 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.025 6.934 8.889 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.159 7.197 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.867 6.770 10.456 1.00 0.00 H new ATOM 713 N VAL A 40 0.820 8.275 2.471 1.00 0.00 N ATOM 714 CA VAL A 40 0.718 8.903 1.159 1.00 0.00 C ATOM 715 C VAL A 40 0.212 10.337 1.274 1.00 0.00 C ATOM 716 O VAL A 40 -0.934 10.574 1.656 1.00 0.00 O ATOM 717 CB VAL A 40 -0.222 8.112 0.230 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.458 8.874 -1.065 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.347 6.729 -0.051 1.00 0.00 C ATOM 0 H VAL A 40 -0.065 8.197 2.971 1.00 0.00 H new ATOM 0 HA VAL A 40 1.721 8.908 0.731 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.182 7.990 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.124 8.300 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.912 9.839 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.493 9.030 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.330 6.184 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.320 6.827 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.459 6.184 0.886 1.00 0.00 H new ATOM 729 N HIS A 41 1.075 11.291 0.940 1.00 0.00 N ATOM 730 CA HIS A 41 0.716 12.703 1.004 1.00 0.00 C ATOM 731 C HIS A 41 0.165 13.185 -0.335 1.00 0.00 C ATOM 732 O HIS A 41 0.915 13.379 -1.292 1.00 0.00 O ATOM 733 CB HIS A 41 1.931 13.543 1.400 1.00 0.00 C ATOM 734 CG HIS A 41 2.675 13.000 2.582 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.325 11.784 2.568 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.871 13.516 3.817 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.887 11.574 3.745 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.627 12.611 4.521 1.00 0.00 N ATOM 0 H HIS A 41 2.028 11.112 0.622 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.060 12.821 1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.611 13.606 0.551 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.603 14.559 1.622 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.366 11.146 1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.502 14.463 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.461 10.703 4.025 1.00 0.00 H new ATOM 746 N ILE A 42 -1.149 13.374 -0.394 1.00 0.00 N ATOM 747 CA ILE A 42 -1.799 13.833 -1.615 1.00 0.00 C ATOM 748 C ILE A 42 -1.601 15.332 -1.814 1.00 0.00 C ATOM 749 O ILE A 42 -1.161 16.035 -0.905 1.00 0.00 O ATOM 750 CB ILE A 42 -3.308 13.525 -1.599 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.870 13.546 -3.022 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.044 14.523 -0.719 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.183 12.808 -3.164 1.00 0.00 C ATOM 0 H ILE A 42 -1.784 13.216 0.389 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.334 13.294 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.455 12.528 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.009 14.581 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.139 13.104 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.109 14.291 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.659 14.463 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.892 15.531 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.522 12.864 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.046 11.764 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.929 13.264 -2.513 1.00 0.00 H new ATOM 765 N GLU A 43 -1.930 15.814 -3.008 1.00 0.00 N ATOM 766 CA GLU A 43 -1.788 17.230 -3.325 1.00 0.00 C ATOM 767 C GLU A 43 -2.810 18.064 -2.558 1.00 0.00 C ATOM 768 O GLU A 43 -2.471 18.744 -1.589 1.00 0.00 O ATOM 769 CB GLU A 43 -1.953 17.458 -4.829 1.00 0.00 C ATOM 770 CG GLU A 43 -2.512 18.827 -5.180 1.00 0.00 C ATOM 771 CD GLU A 43 -2.082 19.297 -6.556 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.963 18.942 -6.981 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.865 20.020 -7.208 1.00 0.00 O ATOM 0 H GLU A 43 -2.296 15.245 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.789 17.545 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.985 17.335 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.613 16.691 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.601 18.793 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.185 19.551 -4.434 1.00 0.00 H new ATOM 780 N ASP A 44 -4.062 18.008 -3.000 1.00 0.00 N ATOM 781 CA ASP A 44 -5.134 18.757 -2.355 1.00 0.00 C ATOM 782 C ASP A 44 -6.001 17.839 -1.499 1.00 0.00 C ATOM 783 O ASP A 44 -6.071 16.633 -1.739 1.00 0.00 O ATOM 784 CB ASP A 44 -5.996 19.460 -3.405 1.00 0.00 C ATOM 785 CG ASP A 44 -5.318 20.685 -3.985 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.835 21.525 -3.197 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.271 20.806 -5.228 1.00 0.00 O ATOM 0 H ASP A 44 -4.359 17.452 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.681 19.506 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.226 18.761 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.945 19.752 -2.955 1.00 0.00 H new ATOM 792 N LYS A 45 -6.658 18.417 -0.500 1.00 0.00 N ATOM 793 CA LYS A 45 -7.521 17.651 0.393 1.00 0.00 C ATOM 794 C LYS A 45 -8.637 16.964 -0.387 1.00 0.00 C ATOM 795 O LYS A 45 -8.784 15.742 -0.336 1.00 0.00 O ATOM 796 CB LYS A 45 -8.120 18.565 1.464 1.00 0.00 C ATOM 797 CG LYS A 45 -8.852 17.815 2.563 1.00 0.00 C ATOM 798 CD LYS A 45 -9.045 18.682 3.797 1.00 0.00 C ATOM 799 CE LYS A 45 -9.918 17.990 4.833 1.00 0.00 C ATOM 800 NZ LYS A 45 -10.017 18.781 6.091 1.00 0.00 N ATOM 0 H LYS A 45 -6.610 19.413 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.915 16.885 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.323 19.159 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.810 19.263 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.823 17.484 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.290 16.920 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.074 18.915 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.501 19.629 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.916 17.835 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.507 17.005 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.620 18.276 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.068 18.908 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.432 19.712 5.884 1.00 0.00 H new ATOM 814 N THR A 46 -9.423 17.757 -1.110 1.00 0.00 N ATOM 815 CA THR A 46 -10.526 17.225 -1.900 1.00 0.00 C ATOM 816 C THR A 46 -10.109 15.962 -2.646 1.00 0.00 C ATOM 817 O THR A 46 -10.884 15.013 -2.759 1.00 0.00 O ATOM 818 CB THR A 46 -11.040 18.262 -2.916 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.289 19.509 -2.260 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.314 17.774 -3.589 1.00 0.00 C ATOM 0 H THR A 46 -9.316 18.770 -1.164 1.00 0.00 H new ATOM 0 HA THR A 46 -11.327 16.983 -1.202 1.00 0.00 H new ATOM 0 HB THR A 46 -10.274 18.401 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.614 20.163 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.658 18.523 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.114 16.839 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.084 17.610 -2.835 1.00 0.00 H new ATOM 828 N ALA A 47 -8.881 15.958 -3.152 1.00 0.00 N ATOM 829 CA ALA A 47 -8.360 14.811 -3.885 1.00 0.00 C ATOM 830 C ALA A 47 -8.370 13.556 -3.019 1.00 0.00 C ATOM 831 O ALA A 47 -8.722 12.472 -3.483 1.00 0.00 O ATOM 832 CB ALA A 47 -6.952 15.098 -4.386 1.00 0.00 C ATOM 0 H ALA A 47 -8.228 16.737 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.009 14.635 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.576 14.232 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.971 15.964 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.299 15.304 -3.538 1.00 0.00 H new ATOM 838 N ALA A 48 -7.980 13.710 -1.758 1.00 0.00 N ATOM 839 CA ALA A 48 -7.945 12.589 -0.827 1.00 0.00 C ATOM 840 C ALA A 48 -9.310 11.919 -0.723 1.00 0.00 C ATOM 841 O ALA A 48 -9.469 10.754 -1.087 1.00 0.00 O ATOM 842 CB ALA A 48 -7.478 13.056 0.544 1.00 0.00 C ATOM 0 H ALA A 48 -7.684 14.600 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.237 11.854 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.457 12.209 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.478 13.482 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.164 13.813 0.924 1.00 0.00 H new ATOM 848 N GLU A 49 -10.293 12.662 -0.223 1.00 0.00 N ATOM 849 CA GLU A 49 -11.645 12.138 -0.071 1.00 0.00 C ATOM 850 C GLU A 49 -12.021 11.249 -1.253 1.00 0.00 C ATOM 851 O GLU A 49 -12.545 10.150 -1.075 1.00 0.00 O ATOM 852 CB GLU A 49 -12.649 13.285 0.059 1.00 0.00 C ATOM 853 CG GLU A 49 -12.518 14.065 1.356 1.00 0.00 C ATOM 854 CD GLU A 49 -13.428 15.277 1.402 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.606 15.151 1.007 1.00 0.00 O ATOM 856 OE2 GLU A 49 -12.962 16.352 1.834 1.00 0.00 O ATOM 0 H GLU A 49 -10.178 13.628 0.083 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.673 11.536 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.518 13.968 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.659 12.882 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.750 13.409 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.484 14.387 1.479 1.00 0.00 H new ATOM 863 N ASP A 50 -11.749 11.735 -2.460 1.00 0.00 N ATOM 864 CA ASP A 50 -12.058 10.986 -3.672 1.00 0.00 C ATOM 865 C ASP A 50 -11.380 9.619 -3.655 1.00 0.00 C ATOM 866 O ASP A 50 -12.038 8.587 -3.781 1.00 0.00 O ATOM 867 CB ASP A 50 -11.617 11.771 -4.909 1.00 0.00 C ATOM 868 CG ASP A 50 -12.709 12.682 -5.435 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.899 12.361 -5.232 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.374 13.716 -6.049 1.00 0.00 O ATOM 0 H ASP A 50 -11.316 12.644 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.137 10.836 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.738 12.367 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.321 11.073 -5.692 1.00 0.00 H new ATOM 875 N ALA A 51 -10.060 9.622 -3.498 1.00 0.00 N ATOM 876 CA ALA A 51 -9.293 8.383 -3.462 1.00 0.00 C ATOM 877 C ALA A 51 -9.582 7.594 -2.190 1.00 0.00 C ATOM 878 O ALA A 51 -10.099 6.478 -2.245 1.00 0.00 O ATOM 879 CB ALA A 51 -7.805 8.680 -3.575 1.00 0.00 C ATOM 0 H ALA A 51 -9.500 10.468 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.596 7.773 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.244 7.746 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.607 9.194 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.496 9.314 -2.744 1.00 0.00 H new ATOM 885 N ILE A 52 -9.245 8.180 -1.046 1.00 0.00 N ATOM 886 CA ILE A 52 -9.469 7.531 0.240 1.00 0.00 C ATOM 887 C ILE A 52 -10.736 6.682 0.213 1.00 0.00 C ATOM 888 O ILE A 52 -10.683 5.465 0.390 1.00 0.00 O ATOM 889 CB ILE A 52 -9.580 8.562 1.379 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.264 9.328 1.532 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.953 7.873 2.682 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.395 10.599 2.341 1.00 0.00 C ATOM 0 H ILE A 52 -8.816 9.103 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.607 6.889 0.424 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.366 9.274 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.528 8.679 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.880 9.575 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.028 8.615 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.912 7.368 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.187 7.141 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.424 11.089 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.106 11.267 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.749 10.358 3.343 1.00 0.00 H new ATOM 904 N ARG A 53 -11.873 7.332 -0.011 1.00 0.00 N ATOM 905 CA ARG A 53 -13.153 6.637 -0.061 1.00 0.00 C ATOM 906 C ARG A 53 -13.009 5.281 -0.747 1.00 0.00 C ATOM 907 O ARG A 53 -13.234 4.238 -0.135 1.00 0.00 O ATOM 908 CB ARG A 53 -14.190 7.486 -0.799 1.00 0.00 C ATOM 909 CG ARG A 53 -15.571 6.852 -0.851 1.00 0.00 C ATOM 910 CD ARG A 53 -16.507 7.630 -1.762 1.00 0.00 C ATOM 911 NE ARG A 53 -17.911 7.362 -1.461 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.539 7.842 -0.393 1.00 0.00 C ATOM 913 NH1 ARG A 53 -17.890 8.610 0.471 1.00 0.00 N ATOM 914 NH2 ARG A 53 -19.817 7.553 -0.188 1.00 0.00 N ATOM 0 H ARG A 53 -11.934 8.339 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.489 6.473 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.264 8.458 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.843 7.665 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.488 5.824 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.991 6.810 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.311 8.697 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.302 7.369 -2.800 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.438 6.774 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.907 8.833 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.374 8.978 1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.319 6.962 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.298 7.922 0.632 1.00 0.00 H new ATOM 928 N ASN A 54 -12.633 5.305 -2.021 1.00 0.00 N ATOM 929 CA ASN A 54 -12.459 4.079 -2.791 1.00 0.00 C ATOM 930 C ASN A 54 -11.353 3.214 -2.194 1.00 0.00 C ATOM 931 O ASN A 54 -11.618 2.164 -1.608 1.00 0.00 O ATOM 932 CB ASN A 54 -12.134 4.408 -4.249 1.00 0.00 C ATOM 933 CG ASN A 54 -13.330 4.966 -4.996 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.230 4.225 -5.392 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.345 6.280 -5.192 1.00 0.00 N ATOM 0 H ASN A 54 -12.443 6.161 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.394 3.520 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.319 5.131 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.783 3.507 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.124 6.713 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.577 6.856 -4.846 1.00 0.00 H new ATOM 942 N LEU A 55 -10.112 3.663 -2.347 1.00 0.00 N ATOM 943 CA LEU A 55 -8.963 2.932 -1.823 1.00 0.00 C ATOM 944 C LEU A 55 -9.323 2.209 -0.528 1.00 0.00 C ATOM 945 O LEU A 55 -8.846 1.104 -0.269 1.00 0.00 O ATOM 946 CB LEU A 55 -7.793 3.886 -1.580 1.00 0.00 C ATOM 947 CG LEU A 55 -7.217 4.572 -2.820 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.904 5.262 -2.487 1.00 0.00 C ATOM 949 CD2 LEU A 55 -7.022 3.564 -3.944 1.00 0.00 C ATOM 0 H LEU A 55 -9.875 4.530 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.668 2.188 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.118 4.657 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.992 3.330 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.926 5.329 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.509 5.744 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.073 6.012 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.187 4.525 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.612 4.069 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.333 2.785 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.982 3.116 -4.201 1.00 0.00 H new ATOM 961 N HIS A 56 -10.168 2.840 0.280 1.00 0.00 N ATOM 962 CA HIS A 56 -10.594 2.257 1.547 1.00 0.00 C ATOM 963 C HIS A 56 -11.045 0.812 1.355 1.00 0.00 C ATOM 964 O HIS A 56 -11.997 0.540 0.623 1.00 0.00 O ATOM 965 CB HIS A 56 -11.728 3.081 2.157 1.00 0.00 C ATOM 966 CG HIS A 56 -11.787 3.004 3.652 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.690 2.712 4.435 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.820 3.186 4.508 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.046 2.716 5.707 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.334 3.001 5.778 1.00 0.00 N ATOM 0 H HIS A 56 -10.571 3.755 0.080 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.743 2.266 2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.610 4.123 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.677 2.738 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.837 3.431 4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.395 2.520 6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.879 3.072 6.637 1.00 0.00 H new ATOM 978 N HIS A 57 -10.354 -0.112 2.017 1.00 0.00 N ATOM 979 CA HIS A 57 -10.684 -1.529 1.919 1.00 0.00 C ATOM 980 C HIS A 57 -10.545 -2.021 0.481 1.00 0.00 C ATOM 981 O HIS A 57 -11.317 -2.866 0.026 1.00 0.00 O ATOM 982 CB HIS A 57 -12.107 -1.779 2.420 1.00 0.00 C ATOM 983 CG HIS A 57 -12.224 -1.784 3.913 1.00 0.00 C ATOM 984 ND1 HIS A 57 -12.746 -2.843 4.624 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.879 -0.850 4.831 1.00 0.00 C ATOM 986 CE1 HIS A 57 -12.720 -2.561 5.914 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.198 -1.357 6.067 1.00 0.00 N ATOM 0 H HIS A 57 -9.563 0.096 2.626 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.984 -2.084 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.766 -1.011 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.457 -2.736 2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.436 0.114 4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.067 -3.205 6.709 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.055 -0.881 6.958 1.00 0.00 H new ATOM 995 N TYR A 58 -9.558 -1.487 -0.228 1.00 0.00 N ATOM 996 CA TYR A 58 -9.319 -1.869 -1.615 1.00 0.00 C ATOM 997 C TYR A 58 -8.593 -3.208 -1.694 1.00 0.00 C ATOM 998 O TYR A 58 -7.576 -3.417 -1.033 1.00 0.00 O ATOM 999 CB TYR A 58 -8.504 -0.791 -2.331 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.080 -1.180 -3.729 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -8.928 -0.987 -4.812 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -6.831 -1.742 -3.967 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -8.546 -1.342 -6.091 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -6.440 -2.098 -5.243 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.301 -1.896 -6.301 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.915 -2.251 -7.574 1.00 0.00 O ATOM 0 H TYR A 58 -8.910 -0.788 0.134 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.286 -1.971 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.093 0.125 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.616 -0.567 -1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.903 -0.552 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.155 -1.903 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.219 -1.187 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.465 -2.532 -5.411 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.010 -2.626 -7.549 1.00 0.00 H new ATOM 1016 N LYS A 59 -9.123 -4.114 -2.509 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.527 -5.434 -2.678 1.00 0.00 C ATOM 1018 C LYS A 59 -7.199 -5.339 -3.423 1.00 0.00 C ATOM 1019 O LYS A 59 -7.170 -5.135 -4.637 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.485 -6.355 -3.437 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.227 -7.833 -3.196 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.376 -8.689 -3.699 1.00 0.00 C ATOM 1023 CE LYS A 59 -10.434 -10.026 -2.975 1.00 0.00 C ATOM 1024 NZ LYS A 59 -11.266 -9.953 -1.742 1.00 0.00 N ATOM 0 H LYS A 59 -9.965 -3.958 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.340 -5.851 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.509 -6.121 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.404 -6.150 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.305 -8.129 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.081 -8.009 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.317 -8.157 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.263 -8.859 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.842 -10.784 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.424 -10.342 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.281 -10.883 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.863 -9.248 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.236 -9.677 -1.994 1.00 0.00 H new ATOM 1038 N LEU A 60 -6.103 -5.491 -2.689 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.771 -5.424 -3.280 1.00 0.00 C ATOM 1040 C LEU A 60 -3.984 -6.699 -2.995 1.00 0.00 C ATOM 1041 O LEU A 60 -3.882 -7.135 -1.847 1.00 0.00 O ATOM 1042 CB LEU A 60 -4.011 -4.211 -2.739 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.621 -3.972 -3.329 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.711 -3.720 -4.826 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.938 -2.806 -2.630 1.00 0.00 C ATOM 0 H LEU A 60 -6.110 -5.662 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.885 -5.322 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.616 -3.321 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.911 -4.322 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.021 -4.868 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.712 -3.552 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.158 -4.586 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.328 -2.841 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.950 -2.651 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.536 -1.904 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.838 -3.027 -1.567 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.427 -7.292 -4.046 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.646 -8.517 -3.908 1.00 0.00 C ATOM 1059 C HIS A 61 -3.403 -9.554 -3.083 1.00 0.00 C ATOM 1060 O HIS A 61 -2.801 -10.339 -2.352 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.297 -8.215 -3.256 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.234 -7.818 -4.234 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.035 -8.469 -5.434 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.689 -6.829 -4.186 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.966 -7.898 -6.080 1.00 0.00 C ATOM 1066 NE2 HIS A 61 1.422 -6.900 -5.345 1.00 0.00 N ATOM 0 H HIS A 61 -3.502 -6.945 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.476 -8.925 -4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.426 -7.415 -2.527 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.963 -9.095 -2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.824 -6.117 -3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.347 -8.197 -7.045 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.193 -6.282 -5.597 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.727 -9.549 -3.205 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.543 -10.493 -2.465 1.00 0.00 C ATOM 1076 C GLY A 62 -5.568 -10.197 -0.978 1.00 0.00 C ATOM 1077 O GLY A 62 -5.625 -11.111 -0.156 1.00 0.00 O ATOM 0 H GLY A 62 -5.249 -8.908 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.561 -10.471 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.162 -11.502 -2.625 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.522 -8.914 -0.631 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.539 -8.500 0.767 1.00 0.00 C ATOM 1083 C VAL A 63 -6.412 -7.266 0.964 1.00 0.00 C ATOM 1084 O VAL A 63 -6.810 -6.615 -0.001 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.118 -8.197 1.279 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.621 -6.871 0.724 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.091 -8.191 2.800 1.00 0.00 C ATOM 0 H VAL A 63 -5.473 -8.144 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.954 -9.330 1.338 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.449 -8.983 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.616 -6.674 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.602 -6.917 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.289 -6.070 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.080 -7.975 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.772 -7.426 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.401 -9.167 3.173 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.705 -6.949 2.221 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.532 -5.792 2.545 1.00 0.00 C ATOM 1099 C ASN A 64 -6.704 -4.706 3.225 1.00 0.00 C ATOM 1100 O ASN A 64 -6.009 -4.964 4.208 1.00 0.00 O ATOM 1101 CB ASN A 64 -8.692 -6.207 3.452 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.325 -7.515 3.019 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.220 -8.528 3.712 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -9.987 -7.500 1.868 1.00 0.00 N ATOM 0 H ASN A 64 -6.382 -7.477 3.032 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.933 -5.390 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.332 -6.302 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.449 -5.423 3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.434 -8.351 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.049 -6.638 1.326 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.784 -3.490 2.694 1.00 0.00 N ATOM 1112 CA ILE A 65 -6.044 -2.364 3.250 1.00 0.00 C ATOM 1113 C ILE A 65 -6.986 -1.348 3.886 1.00 0.00 C ATOM 1114 O ILE A 65 -8.139 -1.214 3.478 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.198 -1.660 2.174 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -6.091 -1.167 1.033 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.124 -2.600 1.645 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.448 -0.095 0.182 1.00 0.00 C ATOM 0 H ILE A 65 -7.354 -3.260 1.880 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.380 -2.769 4.014 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.708 -0.797 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.356 -2.013 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.020 -0.779 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.534 -2.088 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.473 -2.906 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.595 -3.480 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.138 0.206 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.208 0.768 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.534 -0.485 -0.266 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.485 -0.631 4.888 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.282 0.376 5.580 1.00 0.00 C ATOM 1132 C ASN A 66 -6.746 1.777 5.304 1.00 0.00 C ATOM 1133 O ASN A 66 -5.578 2.069 5.561 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.286 0.106 7.086 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.189 -1.372 7.409 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -6.178 -1.839 7.935 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -8.242 -2.117 7.094 1.00 0.00 N ATOM 0 H ASN A 66 -5.532 -0.729 5.238 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.304 0.317 5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.451 0.632 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.199 0.511 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.234 -3.119 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.059 -1.688 6.659 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.609 2.642 4.780 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.224 4.014 4.471 1.00 0.00 C ATOM 1146 C VAL A 67 -7.979 5.008 5.346 1.00 0.00 C ATOM 1147 O VAL A 67 -9.206 4.965 5.434 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.484 4.350 2.990 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.842 5.679 2.623 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.970 3.234 2.093 1.00 0.00 C ATOM 0 H VAL A 67 -8.579 2.417 4.561 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.156 4.095 4.673 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.560 4.440 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.036 5.899 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.263 6.470 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.766 5.621 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.162 3.488 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.898 3.110 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.482 2.304 2.340 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.237 5.902 5.993 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.838 6.906 6.862 1.00 0.00 C ATOM 1162 C GLU A 68 -7.045 8.209 6.817 1.00 0.00 C ATOM 1163 O GLU A 68 -5.818 8.205 6.902 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.910 6.390 8.301 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.559 6.328 8.994 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.645 5.737 10.388 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.379 4.743 10.567 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -5.977 6.270 11.299 1.00 0.00 O ATOM 0 H GLU A 68 -6.220 5.951 5.931 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.848 7.103 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.575 7.034 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.354 5.395 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.873 5.732 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.139 7.332 9.054 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.757 9.324 6.682 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.121 10.634 6.627 1.00 0.00 C ATOM 1177 C ALA A 69 -6.508 11.004 7.973 1.00 0.00 C ATOM 1178 O ALA A 69 -7.199 11.042 8.991 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.127 11.691 6.194 1.00 0.00 C ATOM 0 H ALA A 69 -8.774 9.345 6.609 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.317 10.590 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.639 12.665 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.514 11.442 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.950 11.725 6.908 1.00 0.00 H new