USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 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 Set 1.1: A 56 HIS : no HD1:sc= -5.9! C(o=-13!,f=-18!) USER MOD Set 1.2: A 57 HIS : no HE2:sc= -6.96! C(o=-13!,f=-16!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.496 USER MOD Single : A 16 GLN : amide:sc=-6.21e-05 K(o=-6.2e-05,f=-0.77) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.287 (180deg=-1.06!) USER MOD Single : A 31 CYS SG : rot -151:sc= 0.608 USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.43 (180deg=-1.64!) USER MOD Single : A 36 ASN : amide:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -1.55 X(o=-1.6,f=-2!) 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= 0.539 K(o=0.54,f=0) 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= -3.68! K(o=-3.7!,f=-2.5) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00675 K(o=-0.0068,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.746 17.166 2.078 1.00 0.00 N ATOM 84 CA VAL A 2 -2.493 16.368 3.043 1.00 0.00 C ATOM 85 C VAL A 2 -1.920 14.960 3.152 1.00 0.00 C ATOM 86 O VAL A 2 -1.740 14.271 2.148 1.00 0.00 O ATOM 87 CB VAL A 2 -3.983 16.277 2.663 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.779 15.617 3.779 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.537 17.657 2.346 1.00 0.00 C ATOM 0 HA VAL A 2 -2.402 16.869 4.006 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.075 15.660 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.829 15.561 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.396 14.611 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.682 16.205 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.591 17.574 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.433 18.300 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.985 18.088 1.511 1.00 0.00 H new ATOM 99 N LYS A 3 -1.635 14.536 4.379 1.00 0.00 N ATOM 100 CA LYS A 3 -1.084 13.209 4.622 1.00 0.00 C ATOM 101 C LYS A 3 -2.193 12.165 4.699 1.00 0.00 C ATOM 102 O LYS A 3 -3.350 12.492 4.968 1.00 0.00 O ATOM 103 CB LYS A 3 -0.271 13.201 5.919 1.00 0.00 C ATOM 104 CG LYS A 3 0.389 11.865 6.215 1.00 0.00 C ATOM 105 CD LYS A 3 1.240 11.930 7.472 1.00 0.00 C ATOM 106 CE LYS A 3 2.411 10.963 7.403 1.00 0.00 C ATOM 107 NZ LYS A 3 3.256 11.026 8.628 1.00 0.00 N ATOM 0 H LYS A 3 -1.777 15.094 5.221 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.429 12.957 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.498 13.972 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.925 13.466 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.377 11.098 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.010 11.569 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.613 12.945 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.625 11.697 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.036 9.948 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.021 11.193 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.043 10.352 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.635 11.988 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.681 10.782 9.459 1.00 0.00 H new ATOM 121 N LEU A 4 -1.834 10.908 4.463 1.00 0.00 N ATOM 122 CA LEU A 4 -2.799 9.815 4.507 1.00 0.00 C ATOM 123 C LEU A 4 -2.223 8.609 5.244 1.00 0.00 C ATOM 124 O LEU A 4 -1.056 8.260 5.066 1.00 0.00 O ATOM 125 CB LEU A 4 -3.209 9.413 3.089 1.00 0.00 C ATOM 126 CG LEU A 4 -4.011 10.450 2.303 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.972 10.139 0.815 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.448 10.502 2.801 1.00 0.00 C ATOM 0 H LEU A 4 -0.881 10.620 4.239 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.679 10.162 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.307 9.177 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.797 8.497 3.148 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.557 11.428 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.548 10.888 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.939 10.153 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.401 9.153 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.004 11.246 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.913 9.524 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.458 10.773 3.857 1.00 0.00 H new ATOM 140 N PHE A 5 -3.050 7.976 6.069 1.00 0.00 N ATOM 141 CA PHE A 5 -2.624 6.809 6.832 1.00 0.00 C ATOM 142 C PHE A 5 -3.159 5.525 6.205 1.00 0.00 C ATOM 143 O PHE A 5 -4.369 5.354 6.052 1.00 0.00 O ATOM 144 CB PHE A 5 -3.100 6.919 8.282 1.00 0.00 C ATOM 145 CG PHE A 5 -2.703 5.747 9.133 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.492 5.105 8.931 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.541 5.287 10.136 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.123 4.027 9.713 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.178 4.209 10.921 1.00 0.00 C ATOM 150 CZ PHE A 5 -1.968 3.578 10.709 1.00 0.00 C ATOM 0 H PHE A 5 -4.019 8.252 6.226 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.535 6.774 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.695 7.831 8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.186 7.015 8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.828 5.451 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.489 5.776 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.176 3.536 9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.840 3.860 11.700 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.683 2.735 11.321 1.00 0.00 H new ATOM 160 N ILE A 6 -2.250 4.626 5.843 1.00 0.00 N ATOM 161 CA ILE A 6 -2.630 3.358 5.234 1.00 0.00 C ATOM 162 C ILE A 6 -2.048 2.180 6.008 1.00 0.00 C ATOM 163 O ILE A 6 -0.831 2.017 6.090 1.00 0.00 O ATOM 164 CB ILE A 6 -2.163 3.275 3.768 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.580 4.534 3.006 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.732 2.032 3.101 1.00 0.00 C ATOM 167 CD1 ILE A 6 -2.100 4.559 1.572 1.00 0.00 C ATOM 0 H ILE A 6 -1.245 4.753 5.961 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.718 3.307 5.264 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.075 3.207 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.667 4.613 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.191 5.409 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.393 1.987 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.390 1.145 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.821 2.072 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.432 5.480 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.011 4.512 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.510 3.703 1.036 1.00 0.00 H new ATOM 179 N GLY A 7 -2.927 1.358 6.573 1.00 0.00 N ATOM 180 CA GLY A 7 -2.482 0.203 7.332 1.00 0.00 C ATOM 181 C GLY A 7 -2.865 -1.107 6.672 1.00 0.00 C ATOM 182 O GLY A 7 -3.499 -1.116 5.618 1.00 0.00 O ATOM 0 H GLY A 7 -3.939 1.471 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.399 0.244 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.913 0.242 8.333 1.00 0.00 H new ATOM 186 N ASN A 8 -2.476 -2.216 7.293 1.00 0.00 N ATOM 187 CA ASN A 8 -2.781 -3.538 6.758 1.00 0.00 C ATOM 188 C ASN A 8 -2.219 -3.697 5.348 1.00 0.00 C ATOM 189 O ASN A 8 -2.937 -4.073 4.421 1.00 0.00 O ATOM 190 CB ASN A 8 -4.293 -3.770 6.746 1.00 0.00 C ATOM 191 CG ASN A 8 -4.655 -5.234 6.907 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.663 -5.764 8.019 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.956 -5.895 5.796 1.00 0.00 N ATOM 0 H ASN A 8 -1.949 -2.225 8.166 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.312 -4.281 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.752 -3.195 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.708 -3.397 5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.207 -6.883 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.936 -5.415 4.896 1.00 0.00 H new ATOM 200 N LEU A 9 -0.932 -3.409 5.195 1.00 0.00 N ATOM 201 CA LEU A 9 -0.272 -3.520 3.898 1.00 0.00 C ATOM 202 C LEU A 9 0.420 -4.872 3.754 1.00 0.00 C ATOM 203 O LEU A 9 0.987 -5.411 4.705 1.00 0.00 O ATOM 204 CB LEU A 9 0.745 -2.392 3.723 1.00 0.00 C ATOM 205 CG LEU A 9 0.170 -0.979 3.617 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.279 0.057 3.699 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.617 -0.820 2.324 1.00 0.00 C ATOM 0 H LEU A 9 -0.324 -3.097 5.952 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.033 -3.437 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.436 -2.419 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.329 -2.593 2.825 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.509 -0.820 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.850 1.056 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.799 -0.042 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.984 -0.099 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.019 0.191 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.041 -0.999 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.437 -1.538 2.306 1.00 0.00 H new ATOM 219 N PRO A 10 0.377 -5.432 2.536 1.00 0.00 N ATOM 220 CA PRO A 10 0.997 -6.726 2.238 1.00 0.00 C ATOM 221 C PRO A 10 2.509 -6.619 2.066 1.00 0.00 C ATOM 222 O PRO A 10 3.108 -5.594 2.392 1.00 0.00 O ATOM 223 CB PRO A 10 0.338 -7.140 0.920 1.00 0.00 C ATOM 224 CG PRO A 10 -0.028 -5.856 0.260 1.00 0.00 C ATOM 225 CD PRO A 10 -0.281 -4.845 1.357 1.00 0.00 C ATOM 0 HA PRO A 10 0.853 -7.442 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.021 -7.722 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.541 -7.760 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.774 -5.519 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.916 -5.981 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.140 -3.871 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.348 -4.697 1.526 1.00 0.00 H new ATOM 233 N ARG A 11 3.119 -7.682 1.554 1.00 0.00 N ATOM 234 CA ARG A 11 4.561 -7.707 1.340 1.00 0.00 C ATOM 235 C ARG A 11 4.908 -7.268 -0.080 1.00 0.00 C ATOM 236 O ARG A 11 6.026 -6.830 -0.348 1.00 0.00 O ATOM 237 CB ARG A 11 5.112 -9.110 1.601 1.00 0.00 C ATOM 238 CG ARG A 11 6.522 -9.318 1.072 1.00 0.00 C ATOM 239 CD ARG A 11 7.289 -10.328 1.911 1.00 0.00 C ATOM 240 NE ARG A 11 8.694 -10.409 1.522 1.00 0.00 N ATOM 241 CZ ARG A 11 9.548 -11.290 2.031 1.00 0.00 C ATOM 242 NH1 ARG A 11 9.141 -12.161 2.945 1.00 0.00 N ATOM 243 NH2 ARG A 11 10.811 -11.301 1.626 1.00 0.00 N ATOM 0 H ARG A 11 2.637 -8.538 1.279 1.00 0.00 H new ATOM 0 HA ARG A 11 5.019 -7.008 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.104 -9.301 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.449 -9.843 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.477 -9.661 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.054 -8.367 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.220 -10.052 2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.827 -11.310 1.808 1.00 0.00 H new ATOM 0 HE ARG A 11 9.039 -9.753 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.170 -12.155 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.799 -12.837 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.127 -10.633 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.466 -11.978 2.017 1.00 0.00 H new ATOM 257 N GLU A 12 3.941 -7.391 -0.984 1.00 0.00 N ATOM 258 CA GLU A 12 4.146 -7.008 -2.376 1.00 0.00 C ATOM 259 C GLU A 12 3.941 -5.507 -2.564 1.00 0.00 C ATOM 260 O GLU A 12 4.448 -4.915 -3.516 1.00 0.00 O ATOM 261 CB GLU A 12 3.191 -7.782 -3.287 1.00 0.00 C ATOM 262 CG GLU A 12 3.539 -9.255 -3.423 1.00 0.00 C ATOM 263 CD GLU A 12 2.969 -9.875 -4.684 1.00 0.00 C ATOM 264 OE1 GLU A 12 1.797 -9.591 -5.007 1.00 0.00 O ATOM 265 OE2 GLU A 12 3.696 -10.644 -5.348 1.00 0.00 O ATOM 0 H GLU A 12 3.010 -7.752 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 12 5.173 -7.253 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.177 -7.691 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.194 -7.324 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.623 -9.370 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.162 -9.795 -2.555 1.00 0.00 H new ATOM 272 N ALA A 13 3.193 -4.899 -1.648 1.00 0.00 N ATOM 273 CA ALA A 13 2.922 -3.469 -1.711 1.00 0.00 C ATOM 274 C ALA A 13 4.217 -2.663 -1.705 1.00 0.00 C ATOM 275 O ALA A 13 5.020 -2.766 -0.777 1.00 0.00 O ATOM 276 CB ALA A 13 2.032 -3.049 -0.551 1.00 0.00 C ATOM 0 H ALA A 13 2.765 -5.375 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 13 2.402 -3.264 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.838 -1.978 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.088 -3.592 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.531 -3.275 0.391 1.00 0.00 H new ATOM 282 N THR A 14 4.415 -1.862 -2.747 1.00 0.00 N ATOM 283 CA THR A 14 5.613 -1.040 -2.863 1.00 0.00 C ATOM 284 C THR A 14 5.260 0.441 -2.929 1.00 0.00 C ATOM 285 O THR A 14 4.181 0.811 -3.389 1.00 0.00 O ATOM 286 CB THR A 14 6.434 -1.417 -4.111 1.00 0.00 C ATOM 287 OG1 THR A 14 5.585 -1.454 -5.263 1.00 0.00 O ATOM 288 CG2 THR A 14 7.108 -2.768 -3.928 1.00 0.00 C ATOM 0 H THR A 14 3.761 -1.765 -3.523 1.00 0.00 H new ATOM 0 HA THR A 14 6.212 -1.228 -1.972 1.00 0.00 H new ATOM 0 HB THR A 14 7.206 -0.660 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.080 -2.294 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.682 -3.012 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.776 -2.728 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.350 -3.533 -3.763 1.00 0.00 H new ATOM 296 N GLU A 15 6.178 1.284 -2.466 1.00 0.00 N ATOM 297 CA GLU A 15 5.962 2.727 -2.473 1.00 0.00 C ATOM 298 C GLU A 15 5.257 3.165 -3.754 1.00 0.00 C ATOM 299 O GLU A 15 4.208 3.807 -3.708 1.00 0.00 O ATOM 300 CB GLU A 15 7.294 3.465 -2.332 1.00 0.00 C ATOM 301 CG GLU A 15 7.921 3.333 -0.954 1.00 0.00 C ATOM 302 CD GLU A 15 8.650 2.016 -0.769 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.106 1.442 -1.780 1.00 0.00 O ATOM 304 OE2 GLU A 15 8.764 1.560 0.388 1.00 0.00 O ATOM 0 H GLU A 15 7.077 0.993 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 15 5.325 2.978 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.992 3.083 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.139 4.521 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.619 4.156 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.144 3.424 -0.195 1.00 0.00 H new ATOM 311 N GLN A 16 5.843 2.814 -4.894 1.00 0.00 N ATOM 312 CA GLN A 16 5.272 3.172 -6.187 1.00 0.00 C ATOM 313 C GLN A 16 3.824 2.706 -6.291 1.00 0.00 C ATOM 314 O GLN A 16 2.901 3.519 -6.313 1.00 0.00 O ATOM 315 CB GLN A 16 6.099 2.561 -7.320 1.00 0.00 C ATOM 316 CG GLN A 16 7.329 3.377 -7.683 1.00 0.00 C ATOM 317 CD GLN A 16 7.806 3.116 -9.099 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.443 2.112 -9.713 1.00 0.00 O ATOM 319 NE2 GLN A 16 8.623 4.020 -9.625 1.00 0.00 N ATOM 0 H GLN A 16 6.712 2.283 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 16 5.292 4.258 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.411 1.558 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.469 2.456 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.103 4.437 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.133 3.146 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.898 4.837 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.976 3.898 -10.574 1.00 0.00 H new ATOM 328 N GLU A 17 3.633 1.392 -6.354 1.00 0.00 N ATOM 329 CA GLU A 17 2.296 0.819 -6.457 1.00 0.00 C ATOM 330 C GLU A 17 1.285 1.653 -5.677 1.00 0.00 C ATOM 331 O GLU A 17 0.240 2.034 -6.204 1.00 0.00 O ATOM 332 CB GLU A 17 2.293 -0.621 -5.940 1.00 0.00 C ATOM 333 CG GLU A 17 2.959 -1.609 -6.883 1.00 0.00 C ATOM 334 CD GLU A 17 3.094 -2.993 -6.279 1.00 0.00 C ATOM 335 OE1 GLU A 17 3.496 -3.090 -5.101 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.796 -3.979 -6.985 1.00 0.00 O ATOM 0 H GLU A 17 4.387 0.705 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 17 2.008 0.821 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.801 -0.653 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.263 -0.934 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.379 -1.674 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.947 -1.237 -7.154 1.00 0.00 H new ATOM 343 N ILE A 18 1.604 1.933 -4.418 1.00 0.00 N ATOM 344 CA ILE A 18 0.725 2.723 -3.565 1.00 0.00 C ATOM 345 C ILE A 18 0.553 4.136 -4.111 1.00 0.00 C ATOM 346 O ILE A 18 -0.569 4.607 -4.300 1.00 0.00 O ATOM 347 CB ILE A 18 1.262 2.803 -2.123 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.491 1.398 -1.562 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.296 3.581 -1.241 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.210 0.662 -1.237 1.00 0.00 C ATOM 0 H ILE A 18 2.465 1.624 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.242 2.220 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 18 2.217 3.329 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.062 0.815 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.098 1.470 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.689 3.629 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.179 4.591 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.672 3.081 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.448 -0.326 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.353 1.223 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.389 0.558 -2.141 1.00 0.00 H new ATOM 362 N ARG A 19 1.672 4.807 -4.364 1.00 0.00 N ATOM 363 CA ARG A 19 1.645 6.167 -4.889 1.00 0.00 C ATOM 364 C ARG A 19 0.712 6.267 -6.092 1.00 0.00 C ATOM 365 O ARG A 19 -0.153 7.142 -6.149 1.00 0.00 O ATOM 366 CB ARG A 19 3.054 6.611 -5.285 1.00 0.00 C ATOM 367 CG ARG A 19 3.111 8.017 -5.859 1.00 0.00 C ATOM 368 CD ARG A 19 4.282 8.182 -6.815 1.00 0.00 C ATOM 369 NE ARG A 19 4.768 9.559 -6.852 1.00 0.00 N ATOM 370 CZ ARG A 19 5.719 9.980 -7.679 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.282 9.136 -8.533 1.00 0.00 N ATOM 372 NH2 ARG A 19 6.107 11.249 -7.654 1.00 0.00 N ATOM 0 H ARG A 19 2.608 4.431 -4.214 1.00 0.00 H new ATOM 0 HA ARG A 19 1.271 6.825 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.702 6.559 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.453 5.911 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.180 8.236 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.198 8.739 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.093 7.519 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.978 7.878 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 19 4.355 10.234 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.985 8.160 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.012 9.462 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.675 11.902 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.837 11.572 -8.289 1.00 0.00 H new ATOM 386 N SER A 20 0.892 5.365 -7.051 1.00 0.00 N ATOM 387 CA SER A 20 0.069 5.354 -8.255 1.00 0.00 C ATOM 388 C SER A 20 -1.414 5.337 -7.899 1.00 0.00 C ATOM 389 O SER A 20 -2.192 6.155 -8.391 1.00 0.00 O ATOM 390 CB SER A 20 0.412 4.141 -9.122 1.00 0.00 C ATOM 391 OG SER A 20 1.805 4.069 -9.372 1.00 0.00 O ATOM 0 H SER A 20 1.601 4.632 -7.018 1.00 0.00 H new ATOM 0 HA SER A 20 0.279 6.264 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.081 3.229 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.127 4.202 -10.067 1.00 0.00 H new ATOM 0 HG SER A 20 1.998 3.284 -9.927 1.00 0.00 H new ATOM 397 N LEU A 21 -1.799 4.399 -7.040 1.00 0.00 N ATOM 398 CA LEU A 21 -3.189 4.273 -6.617 1.00 0.00 C ATOM 399 C LEU A 21 -3.781 5.638 -6.281 1.00 0.00 C ATOM 400 O LEU A 21 -4.979 5.866 -6.454 1.00 0.00 O ATOM 401 CB LEU A 21 -3.291 3.347 -5.404 1.00 0.00 C ATOM 402 CG LEU A 21 -3.218 1.848 -5.695 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.161 1.054 -4.399 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.406 1.410 -6.539 1.00 0.00 C ATOM 0 H LEU A 21 -1.168 3.715 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.758 3.844 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.490 3.601 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.232 3.552 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.305 1.651 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.109 -0.011 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.278 1.347 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.055 1.256 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.337 0.340 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.331 1.621 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.402 1.954 -7.483 1.00 0.00 H new ATOM 416 N PHE A 22 -2.934 6.543 -5.801 1.00 0.00 N ATOM 417 CA PHE A 22 -3.374 7.886 -5.442 1.00 0.00 C ATOM 418 C PHE A 22 -3.217 8.843 -6.620 1.00 0.00 C ATOM 419 O PHE A 22 -4.018 9.760 -6.798 1.00 0.00 O ATOM 420 CB PHE A 22 -2.577 8.402 -4.242 1.00 0.00 C ATOM 421 CG PHE A 22 -2.972 7.764 -2.940 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.086 8.209 -2.246 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.230 6.720 -2.412 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.451 7.624 -1.048 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.591 6.131 -1.215 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.704 6.583 -0.533 1.00 0.00 C ATOM 0 H PHE A 22 -1.940 6.371 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.430 7.837 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.516 8.224 -4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.711 9.481 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.675 9.021 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.360 6.362 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.320 7.981 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.004 5.318 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.989 6.123 0.401 1.00 0.00 H new ATOM 436 N GLU A 23 -2.179 8.622 -7.420 1.00 0.00 N ATOM 437 CA GLU A 23 -1.916 9.465 -8.581 1.00 0.00 C ATOM 438 C GLU A 23 -3.129 9.511 -9.506 1.00 0.00 C ATOM 439 O GLU A 23 -3.226 10.376 -10.376 1.00 0.00 O ATOM 440 CB GLU A 23 -0.696 8.951 -9.347 1.00 0.00 C ATOM 441 CG GLU A 23 0.627 9.290 -8.682 1.00 0.00 C ATOM 442 CD GLU A 23 1.189 10.620 -9.146 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.392 11.497 -9.540 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.427 10.784 -9.115 1.00 0.00 O ATOM 0 H GLU A 23 -1.507 7.867 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.713 10.475 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.773 7.869 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.706 9.371 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.490 9.315 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.349 8.501 -8.894 1.00 0.00 H new ATOM 451 N GLN A 24 -4.051 8.573 -9.311 1.00 0.00 N ATOM 452 CA GLN A 24 -5.256 8.505 -10.128 1.00 0.00 C ATOM 453 C GLN A 24 -6.315 9.478 -9.618 1.00 0.00 C ATOM 454 O GLN A 24 -7.189 9.909 -10.370 1.00 0.00 O ATOM 455 CB GLN A 24 -5.815 7.081 -10.133 1.00 0.00 C ATOM 456 CG GLN A 24 -4.914 6.076 -10.832 1.00 0.00 C ATOM 457 CD GLN A 24 -5.423 4.653 -10.710 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.736 4.006 -11.710 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.507 4.157 -9.482 1.00 0.00 N ATOM 0 H GLN A 24 -3.986 7.850 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.990 8.787 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.975 6.759 -9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.790 7.084 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.832 6.339 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.911 6.137 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.237 4.729 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.842 3.204 -9.339 1.00 0.00 H new ATOM 468 N TYR A 25 -6.229 9.819 -8.337 1.00 0.00 N ATOM 469 CA TYR A 25 -7.182 10.739 -7.726 1.00 0.00 C ATOM 470 C TYR A 25 -6.476 11.987 -7.206 1.00 0.00 C ATOM 471 O TYR A 25 -7.052 12.772 -6.453 1.00 0.00 O ATOM 472 CB TYR A 25 -7.929 10.048 -6.584 1.00 0.00 C ATOM 473 CG TYR A 25 -8.379 8.644 -6.917 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.530 7.559 -6.735 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.655 8.401 -7.412 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.937 6.275 -7.039 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.071 7.120 -7.717 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.208 6.060 -7.529 1.00 0.00 C ATOM 479 OH TYR A 25 -9.618 4.782 -7.831 1.00 0.00 O ATOM 0 H TYR A 25 -5.510 9.473 -7.702 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.899 11.041 -8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.283 10.015 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.800 10.646 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.535 7.723 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.333 9.228 -7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.263 5.443 -6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.066 6.949 -8.100 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.540 4.804 -8.164 1.00 0.00 H new ATOM 489 N GLY A 26 -5.223 12.165 -7.614 1.00 0.00 N ATOM 490 CA GLY A 26 -4.458 13.319 -7.181 1.00 0.00 C ATOM 491 C GLY A 26 -2.968 13.044 -7.139 1.00 0.00 C ATOM 492 O GLY A 26 -2.539 11.966 -6.728 1.00 0.00 O ATOM 0 H GLY A 26 -4.724 11.530 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.652 14.153 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.796 13.624 -6.191 1.00 0.00 H new ATOM 496 N LYS A 27 -2.175 14.022 -7.565 1.00 0.00 N ATOM 497 CA LYS A 27 -0.724 13.881 -7.575 1.00 0.00 C ATOM 498 C LYS A 27 -0.190 13.647 -6.166 1.00 0.00 C ATOM 499 O LYS A 27 -0.581 14.333 -5.221 1.00 0.00 O ATOM 500 CB LYS A 27 -0.075 15.130 -8.177 1.00 0.00 C ATOM 501 CG LYS A 27 1.396 14.949 -8.510 1.00 0.00 C ATOM 502 CD LYS A 27 2.277 15.185 -7.294 1.00 0.00 C ATOM 503 CE LYS A 27 3.750 15.008 -7.630 1.00 0.00 C ATOM 504 NZ LYS A 27 4.630 15.436 -6.507 1.00 0.00 N ATOM 0 H LYS A 27 -2.513 14.921 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.472 13.016 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.613 15.408 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.181 15.958 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.562 13.941 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.678 15.640 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.108 16.192 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.998 14.491 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.946 13.962 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.991 15.587 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.568 15.690 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.210 16.261 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.727 14.656 -5.826 1.00 0.00 H new ATOM 518 N VAL A 28 0.706 12.675 -6.031 1.00 0.00 N ATOM 519 CA VAL A 28 1.295 12.352 -4.737 1.00 0.00 C ATOM 520 C VAL A 28 2.628 13.068 -4.546 1.00 0.00 C ATOM 521 O VAL A 28 3.444 13.141 -5.467 1.00 0.00 O ATOM 522 CB VAL A 28 1.513 10.835 -4.583 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.302 10.535 -3.317 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.180 10.104 -4.576 1.00 0.00 C ATOM 0 H VAL A 28 1.040 12.097 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 28 0.592 12.690 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 28 2.092 10.480 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.446 9.459 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.273 11.028 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.753 10.903 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.353 9.033 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.426 10.461 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.344 10.293 -5.513 1.00 0.00 H new ATOM 534 N LEU A 29 2.843 13.595 -3.346 1.00 0.00 N ATOM 535 CA LEU A 29 4.078 14.305 -3.033 1.00 0.00 C ATOM 536 C LEU A 29 5.131 13.350 -2.482 1.00 0.00 C ATOM 537 O LEU A 29 6.251 13.287 -2.988 1.00 0.00 O ATOM 538 CB LEU A 29 3.806 15.420 -2.022 1.00 0.00 C ATOM 539 CG LEU A 29 2.611 16.325 -2.326 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.422 17.350 -1.218 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.794 17.017 -3.669 1.00 0.00 C ATOM 0 H LEU A 29 2.178 13.544 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 29 4.459 14.744 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.653 14.966 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.698 16.042 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 29 1.715 15.706 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.567 17.985 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.245 16.836 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.318 17.965 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.934 17.657 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.700 17.623 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.879 16.268 -4.456 1.00 0.00 H new ATOM 553 N GLU A 30 4.763 12.606 -1.443 1.00 0.00 N ATOM 554 CA GLU A 30 5.677 11.652 -0.825 1.00 0.00 C ATOM 555 C GLU A 30 4.958 10.349 -0.489 1.00 0.00 C ATOM 556 O GLU A 30 3.741 10.331 -0.297 1.00 0.00 O ATOM 557 CB GLU A 30 6.292 12.249 0.443 1.00 0.00 C ATOM 558 CG GLU A 30 6.861 11.208 1.391 1.00 0.00 C ATOM 559 CD GLU A 30 8.098 10.528 0.837 1.00 0.00 C ATOM 560 OE1 GLU A 30 9.036 11.245 0.429 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.128 9.280 0.810 1.00 0.00 O ATOM 0 H GLU A 30 3.839 12.646 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 30 6.472 11.435 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.084 12.943 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.532 12.829 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.107 11.683 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.100 10.456 1.598 1.00 0.00 H new ATOM 568 N CYS A 31 5.717 9.262 -0.421 1.00 0.00 N ATOM 569 CA CYS A 31 5.154 7.953 -0.111 1.00 0.00 C ATOM 570 C CYS A 31 6.184 7.067 0.582 1.00 0.00 C ATOM 571 O CYS A 31 7.233 6.758 0.016 1.00 0.00 O ATOM 572 CB CYS A 31 4.655 7.273 -1.387 1.00 0.00 C ATOM 573 SG CYS A 31 3.766 5.725 -1.099 1.00 0.00 S ATOM 0 H CYS A 31 6.725 9.261 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 31 4.313 8.099 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.000 7.962 -1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.507 7.075 -2.037 1.00 0.00 H new ATOM 0 HG CYS A 31 3.921 4.939 -2.123 1.00 0.00 H new ATOM 579 N ASP A 32 5.879 6.664 1.811 1.00 0.00 N ATOM 580 CA ASP A 32 6.779 5.815 2.582 1.00 0.00 C ATOM 581 C ASP A 32 6.019 4.658 3.222 1.00 0.00 C ATOM 582 O ASP A 32 4.973 4.856 3.841 1.00 0.00 O ATOM 583 CB ASP A 32 7.489 6.634 3.661 1.00 0.00 C ATOM 584 CG ASP A 32 8.838 6.053 4.037 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.971 4.811 4.032 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.760 6.839 4.335 1.00 0.00 O ATOM 0 H ASP A 32 5.016 6.912 2.294 1.00 0.00 H new ATOM 0 HA ASP A 32 7.524 5.404 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.623 7.656 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.858 6.684 4.549 1.00 0.00 H new ATOM 591 N ILE A 33 6.551 3.450 3.068 1.00 0.00 N ATOM 592 CA ILE A 33 5.922 2.261 3.631 1.00 0.00 C ATOM 593 C ILE A 33 6.819 1.608 4.677 1.00 0.00 C ATOM 594 O ILE A 33 7.880 1.074 4.354 1.00 0.00 O ATOM 595 CB ILE A 33 5.591 1.228 2.538 1.00 0.00 C ATOM 596 CG1 ILE A 33 4.632 1.831 1.509 1.00 0.00 C ATOM 597 CG2 ILE A 33 4.992 -0.025 3.158 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.374 0.929 0.323 1.00 0.00 C ATOM 0 H ILE A 33 7.416 3.269 2.558 1.00 0.00 H new ATOM 0 HA ILE A 33 4.995 2.588 4.103 1.00 0.00 H new ATOM 0 HB ILE A 33 6.514 0.952 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.684 2.057 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.041 2.777 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.763 -0.746 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.706 -0.463 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.077 0.234 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.686 1.420 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.314 0.723 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.936 -0.008 0.667 1.00 0.00 H new ATOM 610 N ILE A 34 6.384 1.653 5.932 1.00 0.00 N ATOM 611 CA ILE A 34 7.146 1.064 7.025 1.00 0.00 C ATOM 612 C ILE A 34 6.222 0.537 8.118 1.00 0.00 C ATOM 613 O ILE A 34 5.040 0.879 8.166 1.00 0.00 O ATOM 614 CB ILE A 34 8.125 2.080 7.642 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.764 2.935 6.546 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.195 1.362 8.452 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.450 4.177 7.071 1.00 0.00 C ATOM 0 H ILE A 34 5.508 2.091 6.216 1.00 0.00 H new ATOM 0 HA ILE A 34 7.714 0.236 6.602 1.00 0.00 H new ATOM 0 HB ILE A 34 7.569 2.736 8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.490 2.331 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.995 3.229 5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.879 2.094 8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.724 0.792 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.750 0.685 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.880 4.734 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.723 4.802 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.242 3.890 7.763 1.00 0.00 H new ATOM 629 N LYS A 35 6.769 -0.295 8.998 1.00 0.00 N ATOM 630 CA LYS A 35 5.996 -0.867 10.094 1.00 0.00 C ATOM 631 C LYS A 35 4.614 -1.302 9.616 1.00 0.00 C ATOM 632 O LYS A 35 3.600 -0.941 10.211 1.00 0.00 O ATOM 633 CB LYS A 35 5.858 0.147 11.232 1.00 0.00 C ATOM 634 CG LYS A 35 7.156 0.403 11.978 1.00 0.00 C ATOM 635 CD LYS A 35 7.287 -0.499 13.194 1.00 0.00 C ATOM 636 CE LYS A 35 7.931 -1.829 12.834 1.00 0.00 C ATOM 637 NZ LYS A 35 9.149 -1.647 11.996 1.00 0.00 N ATOM 0 H LYS A 35 7.746 -0.588 8.973 1.00 0.00 H new ATOM 0 HA LYS A 35 6.527 -1.745 10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.490 1.089 10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.108 -0.210 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.000 0.238 11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.197 1.446 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.884 0.001 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.302 -0.675 13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.195 -2.364 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.211 -2.448 12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.779 -2.465 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.874 -1.567 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.646 -0.781 12.289 1.00 0.00 H new ATOM 651 N ASN A 36 4.583 -2.081 8.539 1.00 0.00 N ATOM 652 CA ASN A 36 3.326 -2.566 7.982 1.00 0.00 C ATOM 653 C ASN A 36 2.343 -1.417 7.778 1.00 0.00 C ATOM 654 O ASN A 36 1.140 -1.569 7.995 1.00 0.00 O ATOM 655 CB ASN A 36 2.710 -3.621 8.903 1.00 0.00 C ATOM 656 CG ASN A 36 3.760 -4.439 9.630 1.00 0.00 C ATOM 657 OD1 ASN A 36 3.882 -4.368 10.853 1.00 0.00 O ATOM 658 ND2 ASN A 36 4.526 -5.221 8.877 1.00 0.00 N ATOM 0 H ASN A 36 5.414 -2.390 8.035 1.00 0.00 H new ATOM 0 HA ASN A 36 3.537 -3.018 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.066 -3.130 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.077 -4.287 8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.251 -5.794 9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.389 -5.248 7.867 1.00 0.00 H new ATOM 665 N TYR A 37 2.862 -0.269 7.359 1.00 0.00 N ATOM 666 CA TYR A 37 2.031 0.907 7.127 1.00 0.00 C ATOM 667 C TYR A 37 2.624 1.784 6.029 1.00 0.00 C ATOM 668 O TYR A 37 3.820 1.723 5.747 1.00 0.00 O ATOM 669 CB TYR A 37 1.882 1.715 8.417 1.00 0.00 C ATOM 670 CG TYR A 37 3.063 2.614 8.708 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.380 3.672 7.864 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.862 2.405 9.825 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.457 4.495 8.125 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.940 3.225 10.095 1.00 0.00 C ATOM 675 CZ TYR A 37 5.234 4.268 9.242 1.00 0.00 C ATOM 676 OH TYR A 37 6.309 5.086 9.506 1.00 0.00 O ATOM 0 H TYR A 37 3.855 -0.127 7.173 1.00 0.00 H new ATOM 0 HA TYR A 37 1.047 0.568 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.980 2.324 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.744 1.028 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.773 3.853 6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.636 1.587 10.494 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.690 5.312 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.549 3.050 10.969 1.00 0.00 H new ATOM 0 HH TYR A 37 6.750 4.791 10.330 1.00 0.00 H new ATOM 686 N GLY A 38 1.776 2.602 5.412 1.00 0.00 N ATOM 687 CA GLY A 38 2.233 3.482 4.352 1.00 0.00 C ATOM 688 C GLY A 38 1.627 4.869 4.448 1.00 0.00 C ATOM 689 O GLY A 38 0.418 5.014 4.632 1.00 0.00 O ATOM 0 H GLY A 38 0.781 2.671 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.319 3.560 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.980 3.044 3.386 1.00 0.00 H new ATOM 693 N PHE A 39 2.468 5.890 4.324 1.00 0.00 N ATOM 694 CA PHE A 39 2.009 7.272 4.401 1.00 0.00 C ATOM 695 C PHE A 39 2.010 7.923 3.021 1.00 0.00 C ATOM 696 O PHE A 39 3.027 7.931 2.327 1.00 0.00 O ATOM 697 CB PHE A 39 2.895 8.074 5.356 1.00 0.00 C ATOM 698 CG PHE A 39 2.823 7.602 6.780 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.610 7.236 7.341 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.967 7.525 7.557 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.540 6.801 8.652 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.903 7.090 8.868 1.00 0.00 C ATOM 703 CZ PHE A 39 2.688 6.729 9.416 1.00 0.00 C ATOM 0 H PHE A 39 3.471 5.787 4.170 1.00 0.00 H new ATOM 0 HA PHE A 39 0.987 7.268 4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.929 8.017 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.603 9.123 5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.709 7.291 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.920 7.808 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.589 6.518 9.078 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.803 7.033 9.463 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.636 6.391 10.440 1.00 0.00 H new ATOM 713 N VAL A 40 0.862 8.467 2.629 1.00 0.00 N ATOM 714 CA VAL A 40 0.730 9.121 1.332 1.00 0.00 C ATOM 715 C VAL A 40 0.307 10.577 1.491 1.00 0.00 C ATOM 716 O VAL A 40 -0.741 10.871 2.068 1.00 0.00 O ATOM 717 CB VAL A 40 -0.295 8.395 0.440 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.590 9.212 -0.808 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.209 7.007 0.072 1.00 0.00 C ATOM 0 H VAL A 40 0.011 8.468 3.191 1.00 0.00 H new ATOM 0 HA VAL A 40 1.710 9.080 0.856 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.224 8.283 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.316 8.683 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.996 10.182 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.330 9.357 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.527 6.508 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.151 7.094 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.364 6.424 0.980 1.00 0.00 H new ATOM 729 N HIS A 41 1.128 11.486 0.976 1.00 0.00 N ATOM 730 CA HIS A 41 0.839 12.913 1.060 1.00 0.00 C ATOM 731 C HIS A 41 0.296 13.436 -0.266 1.00 0.00 C ATOM 732 O HIS A 41 1.060 13.834 -1.146 1.00 0.00 O ATOM 733 CB HIS A 41 2.097 13.688 1.451 1.00 0.00 C ATOM 734 CG HIS A 41 2.726 13.207 2.723 1.00 0.00 C ATOM 735 ND1 HIS A 41 2.986 14.036 3.794 1.00 0.00 N ATOM 736 CD2 HIS A 41 3.144 11.974 3.093 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.539 13.334 4.767 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.646 12.080 4.367 1.00 0.00 N ATOM 0 H HIS A 41 1.999 11.260 0.496 1.00 0.00 H new ATOM 0 HA HIS A 41 0.079 13.060 1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.826 13.613 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.846 14.743 1.556 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.783 15.035 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.092 11.075 2.497 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.851 13.720 5.726 1.00 0.00 H new ATOM 746 N ILE A 42 -1.025 13.431 -0.403 1.00 0.00 N ATOM 747 CA ILE A 42 -1.669 13.906 -1.622 1.00 0.00 C ATOM 748 C ILE A 42 -1.508 15.414 -1.776 1.00 0.00 C ATOM 749 O ILE A 42 -1.135 16.109 -0.831 1.00 0.00 O ATOM 750 CB ILE A 42 -3.168 13.556 -1.640 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.708 13.601 -3.071 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.946 14.509 -0.744 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.003 12.841 -3.253 1.00 0.00 C ATOM 0 H ILE A 42 -1.671 13.103 0.315 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.178 13.404 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.294 12.544 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.863 14.641 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.958 13.191 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.004 14.248 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.576 14.431 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.816 15.531 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.326 12.916 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.849 11.793 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.768 13.265 -2.603 1.00 0.00 H new ATOM 765 N GLU A 43 -1.795 15.915 -2.974 1.00 0.00 N ATOM 766 CA GLU A 43 -1.683 17.342 -3.252 1.00 0.00 C ATOM 767 C GLU A 43 -2.751 18.128 -2.496 1.00 0.00 C ATOM 768 O GLU A 43 -2.460 18.793 -1.502 1.00 0.00 O ATOM 769 CB GLU A 43 -1.809 17.603 -4.754 1.00 0.00 C ATOM 770 CG GLU A 43 -2.345 18.985 -5.089 1.00 0.00 C ATOM 771 CD GLU A 43 -1.888 19.474 -6.450 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.917 18.903 -6.990 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.501 20.427 -6.975 1.00 0.00 O ATOM 0 H GLU A 43 -2.107 15.354 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.702 17.677 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.831 17.479 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.467 16.852 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.434 18.965 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.020 19.692 -4.325 1.00 0.00 H new ATOM 780 N ASP A 44 -3.987 18.048 -2.977 1.00 0.00 N ATOM 781 CA ASP A 44 -5.099 18.751 -2.348 1.00 0.00 C ATOM 782 C ASP A 44 -5.913 17.805 -1.471 1.00 0.00 C ATOM 783 O ASP A 44 -5.923 16.593 -1.688 1.00 0.00 O ATOM 784 CB ASP A 44 -5.998 19.382 -3.411 1.00 0.00 C ATOM 785 CG ASP A 44 -5.545 20.776 -3.800 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.370 20.929 -4.197 1.00 0.00 O ATOM 787 OD2 ASP A 44 -6.364 21.713 -3.709 1.00 0.00 O ATOM 0 H ASP A 44 -4.244 17.503 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.688 19.539 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.009 18.747 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.021 19.427 -3.037 1.00 0.00 H new ATOM 792 N LYS A 45 -6.596 18.366 -0.479 1.00 0.00 N ATOM 793 CA LYS A 45 -7.415 17.574 0.431 1.00 0.00 C ATOM 794 C LYS A 45 -8.539 16.870 -0.321 1.00 0.00 C ATOM 795 O LYS A 45 -8.691 15.651 -0.233 1.00 0.00 O ATOM 796 CB LYS A 45 -8.001 18.465 1.529 1.00 0.00 C ATOM 797 CG LYS A 45 -8.782 17.699 2.582 1.00 0.00 C ATOM 798 CD LYS A 45 -10.230 17.499 2.167 1.00 0.00 C ATOM 799 CE LYS A 45 -11.077 16.991 3.324 1.00 0.00 C ATOM 800 NZ LYS A 45 -11.537 18.101 4.204 1.00 0.00 N ATOM 0 H LYS A 45 -6.599 19.367 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.778 16.817 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.191 19.009 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.655 19.207 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.313 16.729 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.745 18.239 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.638 18.441 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.278 16.790 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.942 16.455 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.499 16.278 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.111 17.714 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.712 18.597 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.110 18.769 3.650 1.00 0.00 H new ATOM 814 N THR A 46 -9.325 17.644 -1.063 1.00 0.00 N ATOM 815 CA THR A 46 -10.435 17.095 -1.831 1.00 0.00 C ATOM 816 C THR A 46 -9.986 15.903 -2.669 1.00 0.00 C ATOM 817 O THR A 46 -10.779 15.012 -2.973 1.00 0.00 O ATOM 818 CB THR A 46 -11.056 18.156 -2.759 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.691 19.176 -1.981 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.070 17.524 -3.701 1.00 0.00 C ATOM 0 H THR A 46 -9.213 18.654 -1.148 1.00 0.00 H new ATOM 0 HA THR A 46 -11.186 16.769 -1.112 1.00 0.00 H new ATOM 0 HB THR A 46 -10.257 18.598 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.082 19.847 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.495 18.292 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.577 16.768 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.865 17.058 -3.120 1.00 0.00 H new ATOM 828 N ALA A 47 -8.710 15.892 -3.039 1.00 0.00 N ATOM 829 CA ALA A 47 -8.156 14.808 -3.840 1.00 0.00 C ATOM 830 C ALA A 47 -8.090 13.512 -3.039 1.00 0.00 C ATOM 831 O ALA A 47 -8.253 12.423 -3.588 1.00 0.00 O ATOM 832 CB ALA A 47 -6.774 15.184 -4.354 1.00 0.00 C ATOM 0 H ALA A 47 -8.040 16.622 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.816 14.645 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.372 14.365 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.846 16.080 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.112 15.377 -3.510 1.00 0.00 H new ATOM 838 N ALA A 48 -7.849 13.638 -1.738 1.00 0.00 N ATOM 839 CA ALA A 48 -7.762 12.476 -0.862 1.00 0.00 C ATOM 840 C ALA A 48 -9.111 11.773 -0.748 1.00 0.00 C ATOM 841 O ALA A 48 -9.245 10.606 -1.113 1.00 0.00 O ATOM 842 CB ALA A 48 -7.262 12.890 0.514 1.00 0.00 C ATOM 0 H ALA A 48 -7.711 14.532 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.052 11.774 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.202 12.013 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.274 13.341 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.952 13.613 0.949 1.00 0.00 H new ATOM 848 N GLU A 49 -10.106 12.492 -0.238 1.00 0.00 N ATOM 849 CA GLU A 49 -11.444 11.935 -0.075 1.00 0.00 C ATOM 850 C GLU A 49 -11.849 11.122 -1.302 1.00 0.00 C ATOM 851 O GLU A 49 -12.417 10.037 -1.181 1.00 0.00 O ATOM 852 CB GLU A 49 -12.460 13.053 0.168 1.00 0.00 C ATOM 853 CG GLU A 49 -12.366 13.671 1.552 1.00 0.00 C ATOM 854 CD GLU A 49 -13.700 14.196 2.049 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.442 13.422 2.688 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.000 15.382 1.797 1.00 0.00 O ATOM 0 H GLU A 49 -10.011 13.460 0.069 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.430 11.272 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.315 13.833 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.465 12.657 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.989 12.927 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.643 14.487 1.533 1.00 0.00 H new ATOM 863 N ASP A 50 -11.552 11.656 -2.481 1.00 0.00 N ATOM 864 CA ASP A 50 -11.883 10.981 -3.731 1.00 0.00 C ATOM 865 C ASP A 50 -11.266 9.587 -3.776 1.00 0.00 C ATOM 866 O ASP A 50 -11.948 8.605 -4.065 1.00 0.00 O ATOM 867 CB ASP A 50 -11.399 11.806 -4.925 1.00 0.00 C ATOM 868 CG ASP A 50 -12.425 12.825 -5.379 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.974 13.540 -4.515 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.681 12.906 -6.599 1.00 0.00 O ATOM 0 H ASP A 50 -11.083 12.554 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.967 10.880 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.475 12.319 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.164 11.138 -5.753 1.00 0.00 H new ATOM 875 N ALA A 51 -9.971 9.509 -3.489 1.00 0.00 N ATOM 876 CA ALA A 51 -9.262 8.235 -3.495 1.00 0.00 C ATOM 877 C ALA A 51 -9.647 7.387 -2.288 1.00 0.00 C ATOM 878 O ALA A 51 -10.144 6.270 -2.436 1.00 0.00 O ATOM 879 CB ALA A 51 -7.759 8.468 -3.522 1.00 0.00 C ATOM 0 H ALA A 51 -9.391 10.313 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.550 7.691 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.242 7.508 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.494 9.027 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.463 9.036 -2.640 1.00 0.00 H new ATOM 885 N ILE A 52 -9.413 7.923 -1.095 1.00 0.00 N ATOM 886 CA ILE A 52 -9.736 7.214 0.137 1.00 0.00 C ATOM 887 C ILE A 52 -10.992 6.366 -0.030 1.00 0.00 C ATOM 888 O ILE A 52 -10.945 5.140 0.074 1.00 0.00 O ATOM 889 CB ILE A 52 -9.940 8.189 1.311 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.673 9.016 1.541 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.319 7.428 2.572 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.829 10.074 2.611 1.00 0.00 C ATOM 0 H ILE A 52 -9.001 8.846 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.889 6.565 0.359 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.755 8.869 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.858 8.348 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.387 9.496 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.460 8.131 3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.245 6.879 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.524 6.727 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.893 10.621 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.622 10.765 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.084 9.599 3.558 1.00 0.00 H new ATOM 904 N ARG A 53 -12.115 7.028 -0.291 1.00 0.00 N ATOM 905 CA ARG A 53 -13.385 6.335 -0.473 1.00 0.00 C ATOM 906 C ARG A 53 -13.184 5.018 -1.218 1.00 0.00 C ATOM 907 O ARG A 53 -13.602 3.960 -0.751 1.00 0.00 O ATOM 908 CB ARG A 53 -14.369 7.222 -1.239 1.00 0.00 C ATOM 909 CG ARG A 53 -15.827 6.914 -0.939 1.00 0.00 C ATOM 910 CD ARG A 53 -16.755 7.589 -1.936 1.00 0.00 C ATOM 911 NE ARG A 53 -18.113 7.724 -1.416 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.449 8.571 -0.449 1.00 0.00 C ATOM 913 NH1 ARG A 53 -17.531 9.355 0.098 1.00 0.00 N ATOM 914 NH2 ARG A 53 -19.706 8.635 -0.029 1.00 0.00 N ATOM 0 H ARG A 53 -12.171 8.042 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.795 6.116 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.169 8.266 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.194 7.105 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.985 5.836 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.070 7.247 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.363 8.575 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.777 7.011 -2.860 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.844 7.136 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.564 9.309 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.792 10.004 0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.415 8.034 -0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.963 9.285 0.713 1.00 0.00 H new ATOM 928 N ASN A 54 -12.543 5.093 -2.380 1.00 0.00 N ATOM 929 CA ASN A 54 -12.288 3.908 -3.190 1.00 0.00 C ATOM 930 C ASN A 54 -11.229 3.022 -2.540 1.00 0.00 C ATOM 931 O ASN A 54 -11.537 1.951 -2.016 1.00 0.00 O ATOM 932 CB ASN A 54 -11.838 4.312 -4.595 1.00 0.00 C ATOM 933 CG ASN A 54 -12.956 4.946 -5.400 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.748 4.252 -6.037 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.025 6.272 -5.375 1.00 0.00 N ATOM 0 H ASN A 54 -12.191 5.962 -2.781 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.216 3.341 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.006 5.012 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.468 3.433 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.756 6.755 -5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.347 6.808 -4.833 1.00 0.00 H new ATOM 942 N LEU A 55 -9.982 3.477 -2.577 1.00 0.00 N ATOM 943 CA LEU A 55 -8.876 2.727 -1.991 1.00 0.00 C ATOM 944 C LEU A 55 -9.324 1.990 -0.733 1.00 0.00 C ATOM 945 O LEU A 55 -9.240 0.764 -0.655 1.00 0.00 O ATOM 946 CB LEU A 55 -7.715 3.666 -1.660 1.00 0.00 C ATOM 947 CG LEU A 55 -6.849 4.105 -2.841 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.873 5.190 -2.413 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.103 2.915 -3.426 1.00 0.00 C ATOM 0 H LEU A 55 -9.711 4.362 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.542 1.990 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.120 4.557 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.074 3.175 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.501 4.515 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.265 5.490 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.427 6.052 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.226 4.807 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.492 3.246 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.462 2.476 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.820 2.170 -3.771 1.00 0.00 H new ATOM 961 N HIS A 56 -9.803 2.746 0.251 1.00 0.00 N ATOM 962 CA HIS A 56 -10.267 2.165 1.505 1.00 0.00 C ATOM 963 C HIS A 56 -10.915 0.805 1.266 1.00 0.00 C ATOM 964 O HIS A 56 -11.933 0.702 0.581 1.00 0.00 O ATOM 965 CB HIS A 56 -11.261 3.104 2.189 1.00 0.00 C ATOM 966 CG HIS A 56 -11.482 2.790 3.637 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.500 2.268 4.452 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.581 2.929 4.416 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.985 2.098 5.669 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.246 2.492 5.674 1.00 0.00 N ATOM 0 H HIS A 56 -9.880 3.762 0.203 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.403 2.027 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.901 4.129 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.215 3.054 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.542 3.312 4.106 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.443 1.704 6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.869 2.474 6.481 1.00 0.00 H new ATOM 978 N HIS A 57 -10.319 -0.238 1.835 1.00 0.00 N ATOM 979 CA HIS A 57 -10.838 -1.593 1.684 1.00 0.00 C ATOM 980 C HIS A 57 -10.628 -2.099 0.260 1.00 0.00 C ATOM 981 O HIS A 57 -11.448 -2.849 -0.270 1.00 0.00 O ATOM 982 CB HIS A 57 -12.325 -1.634 2.038 1.00 0.00 C ATOM 983 CG HIS A 57 -12.656 -0.930 3.318 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.855 -0.284 3.533 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.937 -0.775 4.454 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.858 0.240 4.746 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.706 -0.044 5.326 1.00 0.00 N ATOM 0 H HIS A 57 -9.476 -0.171 2.405 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.291 -2.244 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.896 -1.182 1.227 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.644 -2.674 2.112 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -14.620 -0.221 2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.943 -1.155 4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.665 0.805 5.188 1.00 0.00 H new ATOM 995 N TYR A 58 -9.525 -1.685 -0.353 1.00 0.00 N ATOM 996 CA TYR A 58 -9.208 -2.094 -1.716 1.00 0.00 C ATOM 997 C TYR A 58 -8.420 -3.400 -1.724 1.00 0.00 C ATOM 998 O TYR A 58 -7.450 -3.559 -0.982 1.00 0.00 O ATOM 999 CB TYR A 58 -8.410 -1.000 -2.427 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.772 -1.458 -3.719 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.563 -2.143 -3.714 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.378 -1.208 -4.944 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -5.976 -2.563 -4.892 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.799 -1.625 -6.126 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.598 -2.302 -6.095 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.017 -2.720 -7.271 1.00 0.00 O ATOM 0 H TYR A 58 -8.835 -1.066 0.073 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.146 -2.254 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.070 -0.158 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.632 -0.636 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.074 -2.351 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.319 -0.678 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.035 -3.093 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.284 -1.422 -7.069 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.583 -2.458 -8.027 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.844 -4.335 -2.568 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.179 -5.628 -2.676 1.00 0.00 C ATOM 1018 C LYS A 59 -6.809 -5.482 -3.332 1.00 0.00 C ATOM 1019 O LYS A 59 -6.708 -5.286 -4.544 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.041 -6.602 -3.482 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.722 -8.062 -3.211 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.835 -8.975 -3.699 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.356 -10.412 -3.841 1.00 0.00 C ATOM 1024 NZ LYS A 59 -8.709 -10.652 -5.161 1.00 0.00 N ATOM 0 H LYS A 59 -9.646 -4.221 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.040 -6.023 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.091 -6.420 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.906 -6.400 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.788 -8.329 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.571 -8.210 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.671 -8.936 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.205 -8.617 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.649 -10.640 -3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.201 -11.090 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.396 -11.642 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.391 -10.459 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.887 -10.023 -5.264 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.758 -5.580 -2.526 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.394 -5.460 -3.028 1.00 0.00 C ATOM 1040 C LEU A 60 -3.586 -6.715 -2.713 1.00 0.00 C ATOM 1041 O LEU A 60 -2.962 -6.816 -1.657 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.711 -4.234 -2.420 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.339 -3.877 -2.994 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.469 -3.408 -4.434 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.667 -2.810 -2.142 1.00 0.00 C ATOM 0 H LEU A 60 -5.824 -5.742 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.441 -5.342 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.370 -3.375 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.603 -4.397 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.716 -4.771 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.483 -3.158 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.909 -4.202 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.109 -2.526 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.692 -2.568 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.288 -1.914 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.540 -3.183 -1.126 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.601 -7.670 -3.638 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.867 -8.918 -3.461 1.00 0.00 C ATOM 1059 C HIS A 61 -3.540 -9.800 -2.413 1.00 0.00 C ATOM 1060 O HIS A 61 -2.893 -10.279 -1.483 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.422 -8.630 -3.051 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.816 -7.465 -3.770 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.947 -7.268 -5.129 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.073 -6.431 -3.311 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.310 -6.164 -5.474 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.229 -5.636 -4.390 1.00 0.00 N ATOM 0 H HIS A 61 -4.113 -7.603 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.868 -9.450 -4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.388 -8.442 -1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.816 -9.517 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.227 -6.262 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.241 -5.761 -6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.780 -4.778 -4.359 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.843 -10.008 -2.571 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.582 -10.831 -1.631 1.00 0.00 C ATOM 1076 C GLY A 62 -5.582 -10.253 -0.229 1.00 0.00 C ATOM 1077 O GLY A 62 -5.674 -10.988 0.754 1.00 0.00 O ATOM 0 H GLY A 62 -5.400 -9.622 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.610 -10.938 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.148 -11.831 -1.609 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.476 -8.931 -0.136 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.463 -8.254 1.155 1.00 0.00 C ATOM 1083 C VAL A 63 -6.513 -7.150 1.207 1.00 0.00 C ATOM 1084 O VAL A 63 -7.160 -6.847 0.205 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.080 -7.647 1.457 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.905 -6.327 0.723 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -3.896 -7.462 2.956 1.00 0.00 C ATOM 0 H VAL A 63 -5.398 -8.308 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.693 -9.006 1.909 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.314 -8.336 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.922 -5.913 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.991 -6.494 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.676 -5.627 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.914 -7.032 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.667 -6.793 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.975 -8.428 3.454 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.677 -6.551 2.382 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.649 -5.479 2.566 1.00 0.00 C ATOM 1099 C ASN A 64 -7.008 -4.274 3.247 1.00 0.00 C ATOM 1100 O ASN A 64 -7.099 -4.116 4.465 1.00 0.00 O ATOM 1101 CB ASN A 64 -8.836 -5.975 3.393 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.642 -7.037 2.669 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.692 -8.191 3.093 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.278 -6.649 1.569 1.00 0.00 N ATOM 0 H ASN A 64 -6.149 -6.790 3.221 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.004 -5.171 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.473 -6.379 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.484 -5.133 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.836 -7.319 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.208 -5.681 1.254 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.360 -3.428 2.454 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.705 -2.237 2.980 1.00 0.00 C ATOM 1113 C ILE A 65 -6.698 -1.344 3.717 1.00 0.00 C ATOM 1114 O ILE A 65 -7.887 -1.331 3.404 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.033 -1.422 1.860 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -6.091 -0.823 0.930 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.065 -2.296 1.076 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.532 0.180 -0.055 1.00 0.00 C ATOM 0 H ILE A 65 -6.274 -3.545 1.444 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.940 -2.580 3.677 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.470 -0.606 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.577 -1.628 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.860 -0.339 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.598 -1.705 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.296 -2.679 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.607 -3.131 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.338 0.563 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.071 1.005 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.784 -0.304 -0.682 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.200 -0.598 4.698 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.043 0.299 5.479 1.00 0.00 C ATOM 1132 C ASN A 66 -6.609 1.750 5.297 1.00 0.00 C ATOM 1133 O ASN A 66 -5.528 2.146 5.734 1.00 0.00 O ATOM 1134 CB ASN A 66 -6.990 -0.078 6.961 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.770 -1.343 7.263 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.348 -1.959 6.367 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.790 -1.737 8.531 1.00 0.00 N ATOM 0 H ASN A 66 -5.217 -0.597 4.971 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.067 0.197 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.951 -0.214 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.389 0.743 7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.299 -2.581 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.297 -1.196 9.241 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.459 2.540 4.649 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.165 3.948 4.410 1.00 0.00 C ATOM 1146 C VAL A 67 -7.957 4.844 5.356 1.00 0.00 C ATOM 1147 O VAL A 67 -9.127 4.584 5.637 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.480 4.349 2.957 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -7.048 5.783 2.692 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.808 3.393 1.983 1.00 0.00 C ATOM 0 H VAL A 67 -8.357 2.229 4.280 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.099 4.083 4.593 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.558 4.286 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.279 6.048 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.580 6.454 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.975 5.877 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.041 3.691 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.729 3.421 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.172 2.380 2.157 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.311 5.898 5.844 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.957 6.832 6.759 1.00 0.00 C ATOM 1162 C GLU A 68 -7.103 8.082 6.952 1.00 0.00 C ATOM 1163 O GLU A 68 -5.884 7.998 7.092 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.213 6.162 8.111 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.987 5.477 8.692 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.843 4.042 8.223 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.731 3.223 8.540 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -5.843 3.739 7.539 1.00 0.00 O ATOM 0 H GLU A 68 -6.342 6.127 5.622 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.911 7.128 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.569 6.912 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.010 5.427 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.095 6.038 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.047 5.495 9.780 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.754 9.241 6.958 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.056 10.508 7.136 1.00 0.00 C ATOM 1177 C ALA A 69 -6.349 10.561 8.486 1.00 0.00 C ATOM 1178 O ALA A 69 -6.992 10.536 9.535 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.029 11.670 7.001 1.00 0.00 C ATOM 0 H ALA A 69 -8.764 9.328 6.842 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.299 10.590 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.494 12.610 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.484 11.651 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.807 11.583 7.759 1.00 0.00 H new