USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=9 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= -2.07 K(o=-5.4,f=-11!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -3.31 K(o=-5.4,f=-9.2!) USER MOD Single : A 3 LYS NZ :NH3+ 158:sc= 0.824 (180deg=0.265) USER MOD Single : A 8 ASN : amide:sc= -0.552 K(o=-0.55,f=-0.027) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.0357 (180deg=0.0357) USER MOD Single : A 31 CYS SG : rot -168:sc= 0.377 USER MOD Single : A 35 LYS NZ :NH3+ 127:sc= -0.0907 (180deg=-0.691) USER MOD Single : A 36 ASN : amide:sc= -0.205 K(o=-0.21,f=-0.71) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-5.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 54 ASN : amide:sc= 0.362 X(o=0.36,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= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 66 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.957 16.749 2.207 1.00 0.00 N ATOM 84 CA VAL A 2 -2.653 15.958 3.215 1.00 0.00 C ATOM 85 C VAL A 2 -2.102 14.538 3.276 1.00 0.00 C ATOM 86 O VAL A 2 -2.053 13.835 2.267 1.00 0.00 O ATOM 87 CB VAL A 2 -4.166 15.898 2.934 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.868 15.033 3.970 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.759 17.299 2.907 1.00 0.00 C ATOM 0 HA VAL A 2 -2.488 16.450 4.173 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.318 15.445 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.936 15.003 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.462 14.022 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.710 15.454 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.829 17.238 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.597 17.781 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.277 17.883 2.123 1.00 0.00 H new ATOM 99 N LYS A 3 -1.688 14.121 4.468 1.00 0.00 N ATOM 100 CA LYS A 3 -1.141 12.784 4.664 1.00 0.00 C ATOM 101 C LYS A 3 -2.258 11.758 4.829 1.00 0.00 C ATOM 102 O LYS A 3 -3.345 12.081 5.312 1.00 0.00 O ATOM 103 CB LYS A 3 -0.227 12.759 5.891 1.00 0.00 C ATOM 104 CG LYS A 3 0.071 11.359 6.399 1.00 0.00 C ATOM 105 CD LYS A 3 1.420 11.294 7.096 1.00 0.00 C ATOM 106 CE LYS A 3 1.296 11.601 8.580 1.00 0.00 C ATOM 107 NZ LYS A 3 0.557 10.533 9.308 1.00 0.00 N ATOM 0 H LYS A 3 -1.721 14.691 5.313 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.559 12.524 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.712 13.254 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.691 13.336 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.712 11.047 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.057 10.658 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.852 10.302 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.105 12.004 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.290 11.713 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.782 12.553 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.802 10.568 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.466 10.680 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.818 9.604 8.920 1.00 0.00 H new ATOM 121 N LEU A 4 -1.984 10.522 4.426 1.00 0.00 N ATOM 122 CA LEU A 4 -2.966 9.448 4.531 1.00 0.00 C ATOM 123 C LEU A 4 -2.348 8.205 5.162 1.00 0.00 C ATOM 124 O LEU A 4 -1.363 7.665 4.658 1.00 0.00 O ATOM 125 CB LEU A 4 -3.527 9.108 3.149 1.00 0.00 C ATOM 126 CG LEU A 4 -4.237 10.245 2.414 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.428 9.894 0.946 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.576 10.551 3.070 1.00 0.00 C ATOM 0 H LEU A 4 -1.091 10.239 4.024 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.778 9.792 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.708 8.754 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.227 8.279 3.257 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.613 11.137 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.935 10.715 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.456 9.726 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.030 8.989 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.067 11.363 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.207 9.663 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.414 10.847 4.107 1.00 0.00 H new ATOM 140 N PHE A 5 -2.934 7.755 6.267 1.00 0.00 N ATOM 141 CA PHE A 5 -2.441 6.574 6.967 1.00 0.00 C ATOM 142 C PHE A 5 -2.960 5.298 6.311 1.00 0.00 C ATOM 143 O PHE A 5 -4.168 5.112 6.160 1.00 0.00 O ATOM 144 CB PHE A 5 -2.863 6.614 8.437 1.00 0.00 C ATOM 145 CG PHE A 5 -2.832 5.269 9.106 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.633 4.718 9.528 1.00 0.00 C ATOM 147 CD2 PHE A 5 -4.003 4.557 9.312 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.602 3.481 10.144 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.977 3.320 9.928 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.775 2.781 10.343 1.00 0.00 C ATOM 0 H PHE A 5 -3.750 8.190 6.697 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.353 6.575 6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.205 7.295 8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.871 7.022 8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.712 5.261 9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.946 4.973 8.988 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.661 3.063 10.469 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.896 2.775 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.753 1.813 10.822 1.00 0.00 H new ATOM 160 N ILE A 6 -2.039 4.422 5.924 1.00 0.00 N ATOM 161 CA ILE A 6 -2.403 3.163 5.285 1.00 0.00 C ATOM 162 C ILE A 6 -1.912 1.972 6.100 1.00 0.00 C ATOM 163 O ILE A 6 -0.713 1.708 6.173 1.00 0.00 O ATOM 164 CB ILE A 6 -1.827 3.068 3.860 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.187 4.319 3.057 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.343 1.818 3.163 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.704 4.277 1.624 1.00 0.00 C ATOM 0 H ILE A 6 -1.035 4.561 6.042 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.491 3.139 5.230 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.741 3.002 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.270 4.446 3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.761 5.193 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.927 1.765 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.041 0.936 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.431 1.857 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.995 5.196 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.618 4.181 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.151 3.423 1.114 1.00 0.00 H new ATOM 179 N GLY A 7 -2.849 1.253 6.711 1.00 0.00 N ATOM 180 CA GLY A 7 -2.493 0.096 7.512 1.00 0.00 C ATOM 181 C GLY A 7 -2.830 -1.211 6.823 1.00 0.00 C ATOM 182 O GLY A 7 -3.548 -1.227 5.825 1.00 0.00 O ATOM 0 H GLY A 7 -3.849 1.451 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.425 0.123 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.015 0.145 8.468 1.00 0.00 H new ATOM 186 N ASN A 8 -2.309 -2.311 7.358 1.00 0.00 N ATOM 187 CA ASN A 8 -2.558 -3.630 6.786 1.00 0.00 C ATOM 188 C ASN A 8 -1.949 -3.742 5.392 1.00 0.00 C ATOM 189 O ASN A 8 -2.634 -4.090 4.429 1.00 0.00 O ATOM 190 CB ASN A 8 -4.061 -3.906 6.723 1.00 0.00 C ATOM 191 CG ASN A 8 -4.379 -5.388 6.764 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.390 -6.003 7.830 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.640 -5.970 5.598 1.00 0.00 N ATOM 0 H ASN A 8 -1.713 -2.315 8.186 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.086 -4.373 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.554 -3.408 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.469 -3.475 5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.861 -6.965 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.620 -5.421 4.738 1.00 0.00 H new ATOM 200 N LEU A 9 -0.658 -3.446 5.290 1.00 0.00 N ATOM 201 CA LEU A 9 0.044 -3.514 4.014 1.00 0.00 C ATOM 202 C LEU A 9 0.701 -4.878 3.825 1.00 0.00 C ATOM 203 O LEU A 9 1.271 -5.453 4.753 1.00 0.00 O ATOM 204 CB LEU A 9 1.101 -2.411 3.931 1.00 0.00 C ATOM 205 CG LEU A 9 0.575 -0.992 3.710 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.726 -0.002 3.633 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.271 -0.928 2.447 1.00 0.00 C ATOM 0 H LEU A 9 -0.076 -3.157 6.076 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.687 -3.370 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.682 -2.422 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.787 -2.653 3.119 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.053 -0.722 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.332 1.002 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.291 -0.028 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.381 -0.269 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.637 0.089 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.334 -1.219 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.117 -1.608 2.541 1.00 0.00 H new ATOM 219 N PRO A 10 0.622 -5.408 2.596 1.00 0.00 N ATOM 220 CA PRO A 10 1.205 -6.709 2.256 1.00 0.00 C ATOM 221 C PRO A 10 2.711 -6.628 2.028 1.00 0.00 C ATOM 222 O PRO A 10 3.332 -5.597 2.286 1.00 0.00 O ATOM 223 CB PRO A 10 0.488 -7.091 0.959 1.00 0.00 C ATOM 224 CG PRO A 10 0.122 -5.791 0.331 1.00 0.00 C ATOM 225 CD PRO A 10 -0.042 -4.778 1.442 1.00 0.00 C ATOM 0 HA PRO A 10 1.078 -7.435 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.135 -7.677 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.396 -7.697 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.895 -5.472 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.802 -5.888 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.421 -3.825 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.093 -4.576 1.647 1.00 0.00 H new ATOM 233 N ARG A 11 3.291 -7.721 1.543 1.00 0.00 N ATOM 234 CA ARG A 11 4.724 -7.773 1.282 1.00 0.00 C ATOM 235 C ARG A 11 5.030 -7.359 -0.155 1.00 0.00 C ATOM 236 O ARG A 11 6.080 -6.781 -0.434 1.00 0.00 O ATOM 237 CB ARG A 11 5.261 -9.181 1.543 1.00 0.00 C ATOM 238 CG ARG A 11 6.592 -9.462 0.863 1.00 0.00 C ATOM 239 CD ARG A 11 7.276 -10.682 1.460 1.00 0.00 C ATOM 240 NE ARG A 11 8.730 -10.594 1.366 1.00 0.00 N ATOM 241 CZ ARG A 11 9.552 -11.552 1.779 1.00 0.00 C ATOM 242 NH1 ARG A 11 9.065 -12.665 2.310 1.00 0.00 N ATOM 243 NH2 ARG A 11 10.865 -11.399 1.660 1.00 0.00 N ATOM 0 H ARG A 11 2.790 -8.582 1.323 1.00 0.00 H new ATOM 0 HA ARG A 11 5.216 -7.073 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.374 -9.324 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.527 -9.910 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.431 -9.619 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.243 -8.593 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.986 -10.785 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.933 -11.579 0.944 1.00 0.00 H new ATOM 0 HE ARG A 11 9.137 -9.751 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.057 -12.787 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.699 -13.399 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.244 -10.545 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.495 -12.136 1.978 1.00 0.00 H new ATOM 257 N GLU A 12 4.105 -7.659 -1.061 1.00 0.00 N ATOM 258 CA GLU A 12 4.277 -7.319 -2.469 1.00 0.00 C ATOM 259 C GLU A 12 4.104 -5.819 -2.692 1.00 0.00 C ATOM 260 O GLU A 12 4.665 -5.251 -3.628 1.00 0.00 O ATOM 261 CB GLU A 12 3.276 -8.093 -3.330 1.00 0.00 C ATOM 262 CG GLU A 12 3.648 -9.552 -3.533 1.00 0.00 C ATOM 263 CD GLU A 12 4.576 -9.758 -4.714 1.00 0.00 C ATOM 264 OE1 GLU A 12 4.088 -9.728 -5.863 1.00 0.00 O ATOM 265 OE2 GLU A 12 5.789 -9.951 -4.490 1.00 0.00 O ATOM 0 H GLU A 12 3.230 -8.136 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 12 5.289 -7.598 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.292 -8.039 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.196 -7.608 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.126 -9.930 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.741 -10.137 -3.682 1.00 0.00 H new ATOM 272 N ALA A 13 3.322 -5.185 -1.824 1.00 0.00 N ATOM 273 CA ALA A 13 3.075 -3.752 -1.925 1.00 0.00 C ATOM 274 C ALA A 13 4.381 -2.978 -2.067 1.00 0.00 C ATOM 275 O ALA A 13 5.360 -3.259 -1.375 1.00 0.00 O ATOM 276 CB ALA A 13 2.300 -3.263 -0.710 1.00 0.00 C ATOM 0 H ALA A 13 2.849 -5.641 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 13 2.478 -3.574 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.123 -2.191 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.345 -3.785 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.877 -3.462 0.193 1.00 0.00 H new ATOM 282 N THR A 14 4.391 -2.003 -2.970 1.00 0.00 N ATOM 283 CA THR A 14 5.578 -1.190 -3.205 1.00 0.00 C ATOM 284 C THR A 14 5.219 0.288 -3.313 1.00 0.00 C ATOM 285 O THR A 14 4.171 0.643 -3.849 1.00 0.00 O ATOM 286 CB THR A 14 6.311 -1.624 -4.488 1.00 0.00 C ATOM 287 OG1 THR A 14 5.404 -1.617 -5.597 1.00 0.00 O ATOM 288 CG2 THR A 14 6.911 -3.012 -4.326 1.00 0.00 C ATOM 0 H THR A 14 3.590 -1.757 -3.551 1.00 0.00 H new ATOM 0 HA THR A 14 6.238 -1.339 -2.351 1.00 0.00 H new ATOM 0 HB THR A 14 7.119 -0.916 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.878 -1.892 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.423 -3.296 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.623 -3.007 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.117 -3.729 -4.116 1.00 0.00 H new ATOM 296 N GLU A 15 6.098 1.144 -2.800 1.00 0.00 N ATOM 297 CA GLU A 15 5.872 2.584 -2.840 1.00 0.00 C ATOM 298 C GLU A 15 5.225 2.997 -4.159 1.00 0.00 C ATOM 299 O GLU A 15 4.252 3.750 -4.174 1.00 0.00 O ATOM 300 CB GLU A 15 7.192 3.335 -2.650 1.00 0.00 C ATOM 301 CG GLU A 15 7.608 3.475 -1.195 1.00 0.00 C ATOM 302 CD GLU A 15 8.902 4.248 -1.030 1.00 0.00 C ATOM 303 OE1 GLU A 15 8.889 5.479 -1.238 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.928 3.620 -0.693 1.00 0.00 O ATOM 0 H GLU A 15 6.971 0.866 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 15 5.194 2.842 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.979 2.814 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.102 4.328 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.815 3.978 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.723 2.484 -0.757 1.00 0.00 H new ATOM 311 N GLN A 16 5.774 2.499 -5.262 1.00 0.00 N ATOM 312 CA GLN A 16 5.251 2.818 -6.585 1.00 0.00 C ATOM 313 C GLN A 16 3.782 2.425 -6.699 1.00 0.00 C ATOM 314 O GLN A 16 2.932 3.253 -7.024 1.00 0.00 O ATOM 315 CB GLN A 16 6.067 2.105 -7.665 1.00 0.00 C ATOM 316 CG GLN A 16 5.561 2.356 -9.076 1.00 0.00 C ATOM 317 CD GLN A 16 6.406 1.670 -10.130 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.475 1.134 -9.834 1.00 0.00 O ATOM 319 NE2 GLN A 16 5.932 1.682 -11.370 1.00 0.00 N ATOM 0 H GLN A 16 6.580 1.874 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 16 5.332 3.895 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.105 2.430 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.055 1.033 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.532 2.006 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.548 3.429 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.042 2.137 -11.571 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.458 1.236 -12.121 1.00 0.00 H new ATOM 328 N GLU A 17 3.491 1.156 -6.430 1.00 0.00 N ATOM 329 CA GLU A 17 2.124 0.653 -6.504 1.00 0.00 C ATOM 330 C GLU A 17 1.169 1.559 -5.732 1.00 0.00 C ATOM 331 O GLU A 17 0.091 1.901 -6.220 1.00 0.00 O ATOM 332 CB GLU A 17 2.051 -0.772 -5.952 1.00 0.00 C ATOM 333 CG GLU A 17 2.662 -1.814 -6.873 1.00 0.00 C ATOM 334 CD GLU A 17 1.736 -2.205 -8.008 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.847 -3.052 -7.784 1.00 0.00 O ATOM 336 OE2 GLU A 17 1.900 -1.662 -9.121 1.00 0.00 O ATOM 0 H GLU A 17 4.183 0.458 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 17 1.823 0.645 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.561 -0.806 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.008 -1.029 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.593 -1.427 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.915 -2.702 -6.294 1.00 0.00 H new ATOM 343 N ILE A 18 1.573 1.944 -4.526 1.00 0.00 N ATOM 344 CA ILE A 18 0.754 2.810 -3.687 1.00 0.00 C ATOM 345 C ILE A 18 0.638 4.207 -4.288 1.00 0.00 C ATOM 346 O ILE A 18 -0.439 4.621 -4.718 1.00 0.00 O ATOM 347 CB ILE A 18 1.329 2.922 -2.263 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.590 1.530 -1.684 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.379 3.704 -1.368 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.346 0.854 -1.152 1.00 0.00 C ATOM 0 H ILE A 18 2.462 1.670 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.235 2.356 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 18 2.277 3.459 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.033 0.901 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.322 1.611 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.799 3.775 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.239 4.706 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.583 3.193 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.606 -0.128 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.087 1.462 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.379 0.741 -1.958 1.00 0.00 H new ATOM 362 N ARG A 19 1.754 4.928 -4.316 1.00 0.00 N ATOM 363 CA ARG A 19 1.778 6.278 -4.864 1.00 0.00 C ATOM 364 C ARG A 19 0.873 6.384 -6.088 1.00 0.00 C ATOM 365 O ARG A 19 0.073 7.313 -6.204 1.00 0.00 O ATOM 366 CB ARG A 19 3.207 6.675 -5.238 1.00 0.00 C ATOM 367 CG ARG A 19 3.317 8.069 -5.834 1.00 0.00 C ATOM 368 CD ARG A 19 4.477 8.167 -6.812 1.00 0.00 C ATOM 369 NE ARG A 19 4.342 9.312 -7.708 1.00 0.00 N ATOM 370 CZ ARG A 19 5.230 9.619 -8.647 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.311 8.870 -8.812 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.037 10.678 -9.424 1.00 0.00 N ATOM 0 H ARG A 19 2.654 4.599 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 19 1.407 6.960 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.835 6.619 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.601 5.952 -5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.387 8.322 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.451 8.798 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.412 8.248 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.534 7.251 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 19 3.521 9.909 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.463 8.055 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.991 9.108 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.206 11.257 -9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.719 10.913 -10.145 1.00 0.00 H new ATOM 386 N SER A 20 1.005 5.426 -7.000 1.00 0.00 N ATOM 387 CA SER A 20 0.203 5.413 -8.218 1.00 0.00 C ATOM 388 C SER A 20 -1.286 5.383 -7.887 1.00 0.00 C ATOM 389 O SER A 20 -2.049 6.244 -8.327 1.00 0.00 O ATOM 390 CB SER A 20 0.569 4.206 -9.083 1.00 0.00 C ATOM 391 OG SER A 20 -0.060 4.276 -10.350 1.00 0.00 O ATOM 0 H SER A 20 1.660 4.648 -6.918 1.00 0.00 H new ATOM 0 HA SER A 20 0.416 6.326 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.650 4.162 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.271 3.288 -8.576 1.00 0.00 H new ATOM 0 HG SER A 20 0.192 3.494 -10.884 1.00 0.00 H new ATOM 397 N LEU A 21 -1.693 4.386 -7.109 1.00 0.00 N ATOM 398 CA LEU A 21 -3.091 4.242 -6.718 1.00 0.00 C ATOM 399 C LEU A 21 -3.709 5.598 -6.398 1.00 0.00 C ATOM 400 O LEU A 21 -4.864 5.861 -6.734 1.00 0.00 O ATOM 401 CB LEU A 21 -3.209 3.315 -5.506 1.00 0.00 C ATOM 402 CG LEU A 21 -3.125 1.816 -5.797 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.033 1.026 -4.501 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.325 1.364 -6.616 1.00 0.00 C ATOM 0 H LEU A 21 -1.075 3.665 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.634 3.805 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.420 3.572 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.159 3.516 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.222 1.627 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.974 -0.039 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.142 1.330 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.917 1.219 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.249 0.295 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.241 1.566 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.346 1.907 -7.561 1.00 0.00 H new ATOM 416 N PHE A 22 -2.932 6.458 -5.747 1.00 0.00 N ATOM 417 CA PHE A 22 -3.403 7.789 -5.382 1.00 0.00 C ATOM 418 C PHE A 22 -3.329 8.738 -6.574 1.00 0.00 C ATOM 419 O PHE A 22 -4.206 9.579 -6.766 1.00 0.00 O ATOM 420 CB PHE A 22 -2.576 8.345 -4.221 1.00 0.00 C ATOM 421 CG PHE A 22 -2.860 7.674 -2.907 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.986 8.008 -2.172 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.001 6.708 -2.408 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.248 7.392 -0.963 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.259 6.088 -1.200 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.385 6.430 -0.477 1.00 0.00 C ATOM 0 H PHE A 22 -1.974 6.257 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.444 7.706 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.517 8.235 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.772 9.413 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.666 8.758 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.119 6.436 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.128 7.663 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.581 5.337 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.590 5.946 0.466 1.00 0.00 H new ATOM 436 N GLU A 23 -2.274 8.597 -7.371 1.00 0.00 N ATOM 437 CA GLU A 23 -2.084 9.442 -8.544 1.00 0.00 C ATOM 438 C GLU A 23 -3.351 9.485 -9.394 1.00 0.00 C ATOM 439 O GLU A 23 -3.562 10.423 -10.163 1.00 0.00 O ATOM 440 CB GLU A 23 -0.910 8.933 -9.383 1.00 0.00 C ATOM 441 CG GLU A 23 0.434 9.496 -8.954 1.00 0.00 C ATOM 442 CD GLU A 23 0.750 10.822 -9.620 1.00 0.00 C ATOM 443 OE1 GLU A 23 -0.188 11.470 -10.128 1.00 0.00 O ATOM 444 OE2 GLU A 23 1.937 11.211 -9.631 1.00 0.00 O ATOM 0 H GLU A 23 -1.538 7.906 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.863 10.453 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.875 7.845 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.084 9.188 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.441 9.626 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.218 8.777 -9.193 1.00 0.00 H new ATOM 451 N GLN A 24 -4.188 8.463 -9.250 1.00 0.00 N ATOM 452 CA GLN A 24 -5.432 8.384 -10.006 1.00 0.00 C ATOM 453 C GLN A 24 -6.431 9.430 -9.522 1.00 0.00 C ATOM 454 O GLN A 24 -7.216 9.963 -10.307 1.00 0.00 O ATOM 455 CB GLN A 24 -6.041 6.986 -9.882 1.00 0.00 C ATOM 456 CG GLN A 24 -5.278 5.920 -10.652 1.00 0.00 C ATOM 457 CD GLN A 24 -5.863 4.534 -10.465 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.278 3.887 -11.427 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.898 4.069 -9.222 1.00 0.00 N ATOM 0 H GLN A 24 -4.028 7.679 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.204 8.582 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.077 6.706 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.070 7.014 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.281 6.171 -11.713 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.237 5.918 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.543 4.639 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.280 3.142 -9.035 1.00 0.00 H new ATOM 468 N TYR A 25 -6.396 9.719 -8.226 1.00 0.00 N ATOM 469 CA TYR A 25 -7.300 10.700 -7.637 1.00 0.00 C ATOM 470 C TYR A 25 -6.527 11.904 -7.107 1.00 0.00 C ATOM 471 O TYR A 25 -6.951 12.559 -6.156 1.00 0.00 O ATOM 472 CB TYR A 25 -8.112 10.063 -6.508 1.00 0.00 C ATOM 473 CG TYR A 25 -8.542 8.643 -6.799 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.684 7.575 -6.569 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.808 8.370 -7.302 1.00 0.00 C ATOM 476 CE1 TYR A 25 -8.073 6.276 -6.834 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.206 7.074 -7.568 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.335 6.031 -7.333 1.00 0.00 C ATOM 479 OH TYR A 25 -9.727 4.738 -7.596 1.00 0.00 O ATOM 0 H TYR A 25 -5.751 9.288 -7.563 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.981 11.043 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.518 10.074 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.997 10.671 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.696 7.763 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.492 9.184 -7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.393 5.457 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.194 6.879 -7.958 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.644 4.738 -7.942 1.00 0.00 H new ATOM 489 N GLY A 26 -5.387 12.189 -7.730 1.00 0.00 N ATOM 490 CA GLY A 26 -4.572 13.313 -7.308 1.00 0.00 C ATOM 491 C GLY A 26 -3.102 12.958 -7.209 1.00 0.00 C ATOM 492 O GLY A 26 -2.741 11.927 -6.641 1.00 0.00 O ATOM 0 H GLY A 26 -5.014 11.661 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.698 14.134 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.923 13.669 -6.339 1.00 0.00 H new ATOM 496 N LYS A 27 -2.250 13.814 -7.763 1.00 0.00 N ATOM 497 CA LYS A 27 -0.810 13.586 -7.736 1.00 0.00 C ATOM 498 C LYS A 27 -0.323 13.354 -6.309 1.00 0.00 C ATOM 499 O LYS A 27 -0.893 13.881 -5.354 1.00 0.00 O ATOM 500 CB LYS A 27 -0.072 14.778 -8.350 1.00 0.00 C ATOM 501 CG LYS A 27 1.417 14.544 -8.532 1.00 0.00 C ATOM 502 CD LYS A 27 2.169 15.851 -8.717 1.00 0.00 C ATOM 503 CE LYS A 27 3.635 15.710 -8.336 1.00 0.00 C ATOM 504 NZ LYS A 27 3.814 15.564 -6.865 1.00 0.00 N ATOM 0 H LYS A 27 -2.532 14.672 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.598 12.693 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.516 15.010 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.219 15.652 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.812 14.016 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.582 13.903 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.091 16.173 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.707 16.627 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.060 14.843 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.186 16.583 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.826 15.471 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.432 16.403 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.309 14.716 -6.536 1.00 0.00 H new ATOM 518 N VAL A 28 0.736 12.562 -6.171 1.00 0.00 N ATOM 519 CA VAL A 28 1.301 12.262 -4.861 1.00 0.00 C ATOM 520 C VAL A 28 2.543 13.104 -4.593 1.00 0.00 C ATOM 521 O VAL A 28 3.269 13.472 -5.517 1.00 0.00 O ATOM 522 CB VAL A 28 1.668 10.771 -4.736 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.572 10.543 -3.534 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.411 9.920 -4.637 1.00 0.00 C ATOM 0 H VAL A 28 1.220 12.117 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 28 0.536 12.503 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 28 2.212 10.472 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.821 9.484 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.487 11.124 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.057 10.858 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.689 8.870 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.162 10.218 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.196 10.061 -5.532 1.00 0.00 H new ATOM 534 N LEU A 29 2.783 13.406 -3.321 1.00 0.00 N ATOM 535 CA LEU A 29 3.939 14.205 -2.930 1.00 0.00 C ATOM 536 C LEU A 29 4.977 13.347 -2.214 1.00 0.00 C ATOM 537 O LEU A 29 6.163 13.391 -2.540 1.00 0.00 O ATOM 538 CB LEU A 29 3.503 15.359 -2.025 1.00 0.00 C ATOM 539 CG LEU A 29 2.320 16.191 -2.521 1.00 0.00 C ATOM 540 CD1 LEU A 29 1.926 17.231 -1.483 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.657 16.859 -3.846 1.00 0.00 C ATOM 0 H LEU A 29 2.193 13.110 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 29 4.392 14.611 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.250 14.951 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.355 16.024 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 29 1.472 15.525 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.083 17.814 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.643 16.731 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.770 17.894 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.804 17.447 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.519 17.513 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.890 16.096 -4.589 1.00 0.00 H new ATOM 553 N GLU A 30 4.521 12.565 -1.241 1.00 0.00 N ATOM 554 CA GLU A 30 5.412 11.695 -0.481 1.00 0.00 C ATOM 555 C GLU A 30 4.803 10.306 -0.314 1.00 0.00 C ATOM 556 O GLU A 30 3.583 10.158 -0.222 1.00 0.00 O ATOM 557 CB GLU A 30 5.706 12.303 0.892 1.00 0.00 C ATOM 558 CG GLU A 30 7.072 11.930 1.443 1.00 0.00 C ATOM 559 CD GLU A 30 7.165 12.116 2.945 1.00 0.00 C ATOM 560 OE1 GLU A 30 6.661 13.141 3.450 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.743 11.235 3.616 1.00 0.00 O ATOM 0 H GLU A 30 3.542 12.516 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 30 6.346 11.600 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.636 13.388 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.939 11.979 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.288 10.891 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.834 12.539 0.957 1.00 0.00 H new ATOM 568 N CYS A 31 5.660 9.292 -0.275 1.00 0.00 N ATOM 569 CA CYS A 31 5.207 7.914 -0.120 1.00 0.00 C ATOM 570 C CYS A 31 6.209 7.100 0.692 1.00 0.00 C ATOM 571 O CYS A 31 7.320 6.830 0.236 1.00 0.00 O ATOM 572 CB CYS A 31 4.999 7.267 -1.491 1.00 0.00 C ATOM 573 SG CYS A 31 4.221 5.636 -1.426 1.00 0.00 S ATOM 0 H CYS A 31 6.672 9.398 -0.349 1.00 0.00 H new ATOM 0 HA CYS A 31 4.258 7.928 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.384 7.927 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.964 7.178 -1.989 1.00 0.00 H new ATOM 0 HG CYS A 31 4.313 5.065 -2.590 1.00 0.00 H new ATOM 579 N ASP A 32 5.809 6.714 1.899 1.00 0.00 N ATOM 580 CA ASP A 32 6.672 5.932 2.777 1.00 0.00 C ATOM 581 C ASP A 32 5.971 4.656 3.232 1.00 0.00 C ATOM 582 O ASP A 32 4.746 4.553 3.168 1.00 0.00 O ATOM 583 CB ASP A 32 7.086 6.763 3.992 1.00 0.00 C ATOM 584 CG ASP A 32 8.449 6.367 4.527 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.170 5.628 3.825 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.793 6.794 5.649 1.00 0.00 O ATOM 0 H ASP A 32 4.893 6.930 2.292 1.00 0.00 H new ATOM 0 HA ASP A 32 7.564 5.654 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.098 7.818 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.342 6.646 4.780 1.00 0.00 H new ATOM 591 N ILE A 33 6.756 3.687 3.690 1.00 0.00 N ATOM 592 CA ILE A 33 6.211 2.418 4.155 1.00 0.00 C ATOM 593 C ILE A 33 7.052 1.840 5.288 1.00 0.00 C ATOM 594 O ILE A 33 8.151 1.333 5.062 1.00 0.00 O ATOM 595 CB ILE A 33 6.129 1.388 3.014 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.315 1.950 1.847 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.518 0.088 3.516 1.00 0.00 C ATOM 598 CD1 ILE A 33 5.426 1.129 0.581 1.00 0.00 C ATOM 0 H ILE A 33 7.772 3.757 3.749 1.00 0.00 H new ATOM 0 HA ILE A 33 5.205 2.623 4.521 1.00 0.00 H new ATOM 0 HB ILE A 33 7.139 1.179 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.267 2.009 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.646 2.968 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.467 -0.630 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.135 -0.319 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.514 0.280 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.823 1.587 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.468 1.091 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.067 0.117 0.771 1.00 0.00 H new ATOM 610 N ILE A 34 6.528 1.919 6.507 1.00 0.00 N ATOM 611 CA ILE A 34 7.230 1.401 7.674 1.00 0.00 C ATOM 612 C ILE A 34 6.251 0.840 8.700 1.00 0.00 C ATOM 613 O ILE A 34 5.061 1.154 8.675 1.00 0.00 O ATOM 614 CB ILE A 34 8.090 2.490 8.343 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.769 3.358 7.282 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.127 1.857 9.260 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.292 4.672 7.819 1.00 0.00 C ATOM 0 H ILE A 34 5.620 2.337 6.711 1.00 0.00 H new ATOM 0 HA ILE A 34 7.881 0.601 7.321 1.00 0.00 H new ATOM 0 HB ILE A 34 7.441 3.126 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.596 2.800 6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.059 3.560 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.727 2.639 9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.623 1.277 10.034 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.775 1.201 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.760 5.235 7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.466 5.251 8.233 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.027 4.479 8.600 1.00 0.00 H new ATOM 629 N LYS A 35 6.761 0.010 9.604 1.00 0.00 N ATOM 630 CA LYS A 35 5.934 -0.593 10.642 1.00 0.00 C ATOM 631 C LYS A 35 4.584 -1.026 10.079 1.00 0.00 C ATOM 632 O LYS A 35 3.534 -0.631 10.584 1.00 0.00 O ATOM 633 CB LYS A 35 5.724 0.394 11.793 1.00 0.00 C ATOM 634 CG LYS A 35 7.012 0.796 12.491 1.00 0.00 C ATOM 635 CD LYS A 35 6.773 1.129 13.954 1.00 0.00 C ATOM 636 CE LYS A 35 6.138 2.501 14.118 1.00 0.00 C ATOM 637 NZ LYS A 35 4.658 2.449 13.963 1.00 0.00 N ATOM 0 H LYS A 35 7.744 -0.260 9.638 1.00 0.00 H new ATOM 0 HA LYS A 35 6.452 -1.476 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.234 1.289 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.048 -0.051 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.736 -0.015 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.446 1.659 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.127 0.373 14.399 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.719 1.098 14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.386 2.901 15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.557 3.186 13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.207 2.892 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.381 2.961 13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.351 1.458 13.891 1.00 0.00 H new ATOM 651 N ASN A 36 4.620 -1.843 9.031 1.00 0.00 N ATOM 652 CA ASN A 36 3.399 -2.331 8.400 1.00 0.00 C ATOM 653 C ASN A 36 2.410 -1.191 8.175 1.00 0.00 C ATOM 654 O ASN A 36 1.227 -1.310 8.495 1.00 0.00 O ATOM 655 CB ASN A 36 2.755 -3.418 9.262 1.00 0.00 C ATOM 656 CG ASN A 36 3.777 -4.212 10.052 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.861 -4.517 9.554 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.436 -4.550 11.289 1.00 0.00 N ATOM 0 H ASN A 36 5.481 -2.181 8.601 1.00 0.00 H new ATOM 0 HA ASN A 36 3.664 -2.754 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.045 -2.959 9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.188 -4.095 8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.083 -5.084 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.527 -4.275 11.660 1.00 0.00 H new ATOM 665 N TYR A 37 2.902 -0.088 7.623 1.00 0.00 N ATOM 666 CA TYR A 37 2.063 1.074 7.357 1.00 0.00 C ATOM 667 C TYR A 37 2.726 2.005 6.346 1.00 0.00 C ATOM 668 O TYR A 37 3.947 2.016 6.203 1.00 0.00 O ATOM 669 CB TYR A 37 1.778 1.831 8.655 1.00 0.00 C ATOM 670 CG TYR A 37 2.879 2.788 9.052 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.177 3.899 8.271 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.624 2.581 10.206 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.183 4.775 8.630 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.631 3.453 10.573 1.00 0.00 C ATOM 675 CZ TYR A 37 4.906 4.548 9.782 1.00 0.00 C ATOM 676 OH TYR A 37 5.909 5.418 10.143 1.00 0.00 O ATOM 0 H TYR A 37 3.878 0.026 7.351 1.00 0.00 H new ATOM 0 HA TYR A 37 1.121 0.722 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.847 2.387 8.545 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.626 1.111 9.460 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.612 4.080 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.412 1.723 10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.402 5.633 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.199 3.278 11.474 1.00 0.00 H new ATOM 0 HH TYR A 37 6.319 5.115 10.980 1.00 0.00 H new ATOM 686 N GLY A 38 1.908 2.787 5.647 1.00 0.00 N ATOM 687 CA GLY A 38 2.432 3.711 4.658 1.00 0.00 C ATOM 688 C GLY A 38 1.760 5.069 4.721 1.00 0.00 C ATOM 689 O GLY A 38 0.564 5.165 4.999 1.00 0.00 O ATOM 0 H GLY A 38 0.893 2.797 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.504 3.832 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.297 3.288 3.662 1.00 0.00 H new ATOM 693 N PHE A 39 2.530 6.121 4.464 1.00 0.00 N ATOM 694 CA PHE A 39 2.002 7.480 4.495 1.00 0.00 C ATOM 695 C PHE A 39 2.032 8.107 3.104 1.00 0.00 C ATOM 696 O PHE A 39 3.080 8.173 2.463 1.00 0.00 O ATOM 697 CB PHE A 39 2.808 8.340 5.471 1.00 0.00 C ATOM 698 CG PHE A 39 2.610 7.958 6.910 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.342 7.699 7.404 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.693 7.859 7.770 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.156 7.347 8.728 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.513 7.507 9.094 1.00 0.00 C ATOM 703 CZ PHE A 39 2.244 7.252 9.574 1.00 0.00 C ATOM 0 H PHE A 39 3.521 6.059 4.232 1.00 0.00 H new ATOM 0 HA PHE A 39 0.966 7.433 4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.867 8.260 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.528 9.385 5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.488 7.773 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.688 8.059 7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.162 7.147 9.100 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.365 7.431 9.753 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.102 6.979 10.609 1.00 0.00 H new ATOM 713 N VAL A 40 0.872 8.565 2.643 1.00 0.00 N ATOM 714 CA VAL A 40 0.763 9.187 1.329 1.00 0.00 C ATOM 715 C VAL A 40 0.309 10.638 1.444 1.00 0.00 C ATOM 716 O VAL A 40 -0.757 10.925 1.988 1.00 0.00 O ATOM 717 CB VAL A 40 -0.223 8.422 0.426 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.540 9.230 -0.823 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.340 7.057 0.060 1.00 0.00 C ATOM 0 H VAL A 40 -0.006 8.517 3.161 1.00 0.00 H new ATOM 0 HA VAL A 40 1.756 9.154 0.880 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.151 8.271 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.238 8.674 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.988 10.181 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.379 9.415 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.369 6.530 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.283 7.183 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.511 6.478 0.968 1.00 0.00 H new ATOM 729 N HIS A 41 1.126 11.550 0.926 1.00 0.00 N ATOM 730 CA HIS A 41 0.808 12.973 0.969 1.00 0.00 C ATOM 731 C HIS A 41 0.286 13.454 -0.381 1.00 0.00 C ATOM 732 O HIS A 41 1.064 13.774 -1.280 1.00 0.00 O ATOM 733 CB HIS A 41 2.044 13.781 1.368 1.00 0.00 C ATOM 734 CG HIS A 41 2.570 13.438 2.727 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.159 12.226 3.023 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.597 14.157 3.874 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.522 12.214 4.293 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.193 13.374 4.832 1.00 0.00 N ATOM 0 H HIS A 41 2.012 11.329 0.472 1.00 0.00 H new ATOM 0 HA HIS A 41 0.028 13.124 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.830 13.616 0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.799 14.843 1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.220 15.160 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.006 11.395 4.804 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.355 13.644 5.802 1.00 0.00 H new ATOM 746 N ILE A 42 -1.035 13.500 -0.516 1.00 0.00 N ATOM 747 CA ILE A 42 -1.661 13.942 -1.756 1.00 0.00 C ATOM 748 C ILE A 42 -1.487 15.443 -1.955 1.00 0.00 C ATOM 749 O ILE A 42 -1.077 16.157 -1.040 1.00 0.00 O ATOM 750 CB ILE A 42 -3.163 13.603 -1.781 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.715 13.737 -3.202 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.925 14.506 -0.823 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.010 12.986 -3.420 1.00 0.00 C ATOM 0 H ILE A 42 -1.692 13.237 0.218 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.164 13.410 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.293 12.570 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.875 14.792 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.969 13.372 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.985 14.255 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.546 14.365 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.791 15.546 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.343 13.126 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.851 11.924 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.770 13.366 -2.738 1.00 0.00 H new ATOM 765 N GLU A 43 -1.802 15.916 -3.157 1.00 0.00 N ATOM 766 CA GLU A 43 -1.680 17.334 -3.476 1.00 0.00 C ATOM 767 C GLU A 43 -2.749 18.147 -2.751 1.00 0.00 C ATOM 768 O GLU A 43 -2.463 18.835 -1.771 1.00 0.00 O ATOM 769 CB GLU A 43 -1.794 17.552 -4.986 1.00 0.00 C ATOM 770 CG GLU A 43 -1.955 19.010 -5.380 1.00 0.00 C ATOM 771 CD GLU A 43 -0.636 19.757 -5.405 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.162 20.159 -4.322 1.00 0.00 O ATOM 773 OE2 GLU A 43 -0.077 19.939 -6.507 1.00 0.00 O ATOM 0 H GLU A 43 -2.143 15.338 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.700 17.673 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.905 17.150 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.646 16.986 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.419 19.067 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.632 19.499 -4.680 1.00 0.00 H new ATOM 780 N ASP A 44 -3.981 18.064 -3.241 1.00 0.00 N ATOM 781 CA ASP A 44 -5.093 18.791 -2.641 1.00 0.00 C ATOM 782 C ASP A 44 -5.912 17.879 -1.733 1.00 0.00 C ATOM 783 O ASP A 44 -6.032 16.680 -1.984 1.00 0.00 O ATOM 784 CB ASP A 44 -5.989 19.385 -3.730 1.00 0.00 C ATOM 785 CG ASP A 44 -5.374 20.609 -4.381 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.524 21.259 -3.738 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.743 20.916 -5.534 1.00 0.00 O ATOM 0 H ASP A 44 -4.235 17.500 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.682 19.600 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.180 18.629 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.953 19.653 -3.298 1.00 0.00 H new ATOM 792 N LYS A 45 -6.474 18.455 -0.676 1.00 0.00 N ATOM 793 CA LYS A 45 -7.283 17.696 0.270 1.00 0.00 C ATOM 794 C LYS A 45 -8.417 16.968 -0.444 1.00 0.00 C ATOM 795 O LYS A 45 -8.505 15.741 -0.404 1.00 0.00 O ATOM 796 CB LYS A 45 -7.855 18.624 1.344 1.00 0.00 C ATOM 797 CG LYS A 45 -8.703 17.907 2.379 1.00 0.00 C ATOM 798 CD LYS A 45 -9.343 18.884 3.351 1.00 0.00 C ATOM 799 CE LYS A 45 -8.416 19.199 4.516 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.468 18.145 5.566 1.00 0.00 N ATOM 0 H LYS A 45 -6.384 19.446 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.641 16.954 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.033 19.132 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.458 19.394 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.480 17.330 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.085 17.198 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.597 19.806 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.275 18.465 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.394 19.298 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.693 20.159 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.823 18.396 6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.438 18.068 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.179 17.233 5.157 1.00 0.00 H new ATOM 814 N THR A 46 -9.284 17.733 -1.100 1.00 0.00 N ATOM 815 CA THR A 46 -10.413 17.161 -1.824 1.00 0.00 C ATOM 816 C THR A 46 -9.986 15.943 -2.634 1.00 0.00 C ATOM 817 O THR A 46 -10.752 14.994 -2.797 1.00 0.00 O ATOM 818 CB THR A 46 -11.055 18.194 -2.770 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.276 19.425 -2.074 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.373 17.674 -3.324 1.00 0.00 C ATOM 0 H THR A 46 -9.226 18.750 -1.145 1.00 0.00 H new ATOM 0 HA THR A 46 -11.147 16.858 -1.077 1.00 0.00 H new ATOM 0 HB THR A 46 -10.372 18.366 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.683 20.077 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.808 18.420 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.196 16.752 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.061 17.476 -2.502 1.00 0.00 H new ATOM 828 N ALA A 47 -8.757 15.975 -3.140 1.00 0.00 N ATOM 829 CA ALA A 47 -8.228 14.872 -3.932 1.00 0.00 C ATOM 830 C ALA A 47 -8.152 13.592 -3.107 1.00 0.00 C ATOM 831 O ALA A 47 -8.412 12.500 -3.612 1.00 0.00 O ATOM 832 CB ALA A 47 -6.855 15.229 -4.483 1.00 0.00 C ATOM 0 H ALA A 47 -8.109 16.753 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.908 14.697 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.472 14.396 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.935 16.114 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.173 15.433 -3.657 1.00 0.00 H new ATOM 838 N ALA A 48 -7.793 13.733 -1.835 1.00 0.00 N ATOM 839 CA ALA A 48 -7.684 12.588 -0.940 1.00 0.00 C ATOM 840 C ALA A 48 -9.018 11.859 -0.816 1.00 0.00 C ATOM 841 O ALA A 48 -9.132 10.689 -1.180 1.00 0.00 O ATOM 842 CB ALA A 48 -7.195 13.033 0.430 1.00 0.00 C ATOM 0 H ALA A 48 -7.573 14.630 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.958 11.894 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.118 12.167 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.216 13.502 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.900 13.749 0.853 1.00 0.00 H new ATOM 848 N GLU A 49 -10.024 12.558 -0.301 1.00 0.00 N ATOM 849 CA GLU A 49 -11.349 11.975 -0.128 1.00 0.00 C ATOM 850 C GLU A 49 -11.734 11.131 -1.340 1.00 0.00 C ATOM 851 O GLU A 49 -12.134 9.975 -1.202 1.00 0.00 O ATOM 852 CB GLU A 49 -12.390 13.075 0.092 1.00 0.00 C ATOM 853 CG GLU A 49 -12.592 13.438 1.553 1.00 0.00 C ATOM 854 CD GLU A 49 -13.676 12.609 2.215 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.651 12.247 1.524 1.00 0.00 O ATOM 856 OE2 GLU A 49 -13.549 12.322 3.424 1.00 0.00 O ATOM 0 H GLU A 49 -9.947 13.528 0.004 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.322 11.329 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.086 13.966 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.342 12.752 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.654 13.300 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.850 14.494 1.629 1.00 0.00 H new ATOM 863 N ASP A 50 -11.611 11.718 -2.525 1.00 0.00 N ATOM 864 CA ASP A 50 -11.945 11.021 -3.762 1.00 0.00 C ATOM 865 C ASP A 50 -11.312 9.633 -3.791 1.00 0.00 C ATOM 866 O ASP A 50 -11.946 8.659 -4.196 1.00 0.00 O ATOM 867 CB ASP A 50 -11.480 11.833 -4.972 1.00 0.00 C ATOM 868 CG ASP A 50 -12.532 12.814 -5.449 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.963 13.662 -4.639 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.925 12.735 -6.632 1.00 0.00 O ATOM 0 H ASP A 50 -11.282 12.675 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.028 10.908 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.571 12.376 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.225 11.154 -5.786 1.00 0.00 H new ATOM 875 N ALA A 51 -10.057 9.551 -3.361 1.00 0.00 N ATOM 876 CA ALA A 51 -9.338 8.283 -3.337 1.00 0.00 C ATOM 877 C ALA A 51 -9.760 7.436 -2.142 1.00 0.00 C ATOM 878 O ALA A 51 -10.311 6.347 -2.305 1.00 0.00 O ATOM 879 CB ALA A 51 -7.837 8.528 -3.310 1.00 0.00 C ATOM 0 H ALA A 51 -9.517 10.348 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.589 7.734 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.313 7.573 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.543 9.087 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.578 9.101 -2.420 1.00 0.00 H new ATOM 885 N ILE A 52 -9.497 7.942 -0.942 1.00 0.00 N ATOM 886 CA ILE A 52 -9.851 7.231 0.281 1.00 0.00 C ATOM 887 C ILE A 52 -11.146 6.446 0.105 1.00 0.00 C ATOM 888 O ILE A 52 -11.154 5.217 0.177 1.00 0.00 O ATOM 889 CB ILE A 52 -10.006 8.197 1.470 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.703 8.965 1.705 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.412 7.435 2.722 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.802 10.001 2.802 1.00 0.00 C ATOM 0 H ILE A 52 -9.040 8.841 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.035 6.539 0.491 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.791 8.916 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.913 8.257 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.408 9.456 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.518 8.132 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.362 6.930 2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.647 6.696 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.842 10.506 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.569 10.732 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.066 9.513 3.740 1.00 0.00 H new ATOM 904 N ARG A 53 -12.240 7.164 -0.126 1.00 0.00 N ATOM 905 CA ARG A 53 -13.542 6.535 -0.313 1.00 0.00 C ATOM 906 C ARG A 53 -13.401 5.199 -1.036 1.00 0.00 C ATOM 907 O ARG A 53 -13.884 4.172 -0.561 1.00 0.00 O ATOM 908 CB ARG A 53 -14.470 7.460 -1.102 1.00 0.00 C ATOM 909 CG ARG A 53 -15.920 7.004 -1.110 1.00 0.00 C ATOM 910 CD ARG A 53 -16.829 8.050 -1.737 1.00 0.00 C ATOM 911 NE ARG A 53 -17.294 9.028 -0.758 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.970 10.126 -1.079 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.258 10.383 -2.347 1.00 0.00 N ATOM 914 NH2 ARG A 53 -18.359 10.968 -0.131 1.00 0.00 N ATOM 0 H ARG A 53 -12.251 8.182 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.974 6.352 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.416 8.463 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.114 7.528 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.005 6.068 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.245 6.803 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.294 8.563 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.688 7.557 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.089 8.859 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.961 9.737 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.777 11.226 -2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.139 10.773 0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.878 11.811 -0.379 1.00 0.00 H new ATOM 928 N ASN A 54 -12.737 5.222 -2.187 1.00 0.00 N ATOM 929 CA ASN A 54 -12.534 4.013 -2.976 1.00 0.00 C ATOM 930 C ASN A 54 -11.430 3.149 -2.375 1.00 0.00 C ATOM 931 O ASN A 54 -11.693 2.079 -1.825 1.00 0.00 O ATOM 932 CB ASN A 54 -12.184 4.375 -4.421 1.00 0.00 C ATOM 933 CG ASN A 54 -13.363 4.965 -5.171 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.118 4.247 -5.827 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.525 6.280 -5.078 1.00 0.00 N ATOM 0 H ASN A 54 -12.331 6.064 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.463 3.443 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.360 5.089 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.835 3.483 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.300 6.734 -5.562 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.875 6.836 -4.523 1.00 0.00 H new ATOM 942 N LEU A 55 -10.193 3.622 -2.482 1.00 0.00 N ATOM 943 CA LEU A 55 -9.047 2.894 -1.948 1.00 0.00 C ATOM 944 C LEU A 55 -9.441 2.089 -0.713 1.00 0.00 C ATOM 945 O LEU A 55 -9.223 0.878 -0.653 1.00 0.00 O ATOM 946 CB LEU A 55 -7.918 3.865 -1.598 1.00 0.00 C ATOM 947 CG LEU A 55 -7.208 4.522 -2.782 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.898 5.153 -2.336 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.963 3.506 -3.888 1.00 0.00 C ATOM 0 H LEU A 55 -9.958 4.506 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.698 2.202 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.326 4.651 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.176 3.330 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.851 5.309 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.407 5.616 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.099 5.911 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.248 4.385 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.457 3.991 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.340 2.697 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.916 3.101 -4.228 1.00 0.00 H new ATOM 961 N HIS A 56 -10.023 2.768 0.270 1.00 0.00 N ATOM 962 CA HIS A 56 -10.450 2.116 1.502 1.00 0.00 C ATOM 963 C HIS A 56 -10.986 0.716 1.218 1.00 0.00 C ATOM 964 O HIS A 56 -12.041 0.557 0.602 1.00 0.00 O ATOM 965 CB HIS A 56 -11.521 2.952 2.202 1.00 0.00 C ATOM 966 CG HIS A 56 -11.558 2.757 3.687 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.446 2.419 4.429 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.581 2.857 4.568 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.784 2.317 5.702 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.074 2.578 5.813 1.00 0.00 N ATOM 0 H HIS A 56 -10.210 3.770 0.237 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.583 2.028 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.346 4.006 1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.496 2.700 1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.605 3.109 4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.119 2.063 6.514 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.607 2.573 6.683 1.00 0.00 H new ATOM 978 N HIS A 57 -10.253 -0.297 1.670 1.00 0.00 N ATOM 979 CA HIS A 57 -10.655 -1.683 1.464 1.00 0.00 C ATOM 980 C HIS A 57 -10.410 -2.112 0.021 1.00 0.00 C ATOM 981 O HIS A 57 -11.156 -2.920 -0.533 1.00 0.00 O ATOM 982 CB HIS A 57 -12.131 -1.867 1.819 1.00 0.00 C ATOM 983 CG HIS A 57 -12.557 -1.095 3.030 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.812 -0.542 3.168 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.885 -0.788 4.165 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.894 0.074 4.333 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.738 -0.061 4.958 1.00 0.00 N ATOM 0 H HIS A 57 -9.378 -0.183 2.181 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.050 -2.311 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.741 -1.560 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.327 -2.926 1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.868 -1.064 4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.759 0.599 4.711 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.515 0.314 5.880 1.00 0.00 H new ATOM 995 N TYR A 58 -9.360 -1.565 -0.583 1.00 0.00 N ATOM 996 CA TYR A 58 -9.018 -1.888 -1.963 1.00 0.00 C ATOM 997 C TYR A 58 -8.248 -3.203 -2.040 1.00 0.00 C ATOM 998 O TYR A 58 -7.147 -3.324 -1.503 1.00 0.00 O ATOM 999 CB TYR A 58 -8.190 -0.761 -2.582 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.655 -1.089 -3.958 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.595 -1.973 -4.121 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.210 -0.515 -5.095 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.104 -2.274 -5.376 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.726 -0.812 -6.354 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.672 -1.691 -6.490 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.186 -1.990 -7.742 1.00 0.00 O ATOM 0 H TYR A 58 -8.731 -0.896 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.946 -1.998 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.804 0.138 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.354 -0.531 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.148 -2.432 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.034 0.175 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.279 -2.963 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.171 -0.358 -7.227 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.697 -1.497 -8.418 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.836 -4.186 -2.712 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.207 -5.493 -2.863 1.00 0.00 C ATOM 1018 C LYS A 59 -6.834 -5.364 -3.515 1.00 0.00 C ATOM 1019 O LYS A 59 -6.725 -5.234 -4.735 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.096 -6.416 -3.700 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.851 -7.893 -3.442 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.883 -8.760 -4.144 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.323 -10.134 -4.479 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.160 -10.845 -5.484 1.00 0.00 N ATOM 0 H LYS A 59 -9.748 -4.103 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.079 -5.924 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.141 -6.188 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.929 -6.208 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.853 -8.163 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.881 -8.086 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.761 -8.869 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.212 -8.267 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.308 -10.029 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.261 -10.732 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.745 -11.777 -5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.122 -10.968 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.199 -10.287 -6.361 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.789 -5.402 -2.696 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.422 -5.291 -3.194 1.00 0.00 C ATOM 1040 C LEU A 60 -3.634 -6.565 -2.908 1.00 0.00 C ATOM 1041 O LEU A 60 -3.017 -6.702 -1.851 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.722 -4.090 -2.555 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.314 -3.785 -3.066 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.364 -3.264 -4.493 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.622 -2.781 -2.154 1.00 0.00 C ATOM 0 H LEU A 60 -5.862 -5.509 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.465 -5.147 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.343 -3.208 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.669 -4.256 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.738 -4.710 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.352 -3.053 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.819 -4.015 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.957 -2.350 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.621 -2.575 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.197 -1.856 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.552 -3.192 -1.147 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.656 -7.494 -3.858 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.940 -8.756 -3.710 1.00 0.00 C ATOM 1059 C HIS A 61 -3.651 -9.670 -2.716 1.00 0.00 C ATOM 1060 O HIS A 61 -3.014 -10.310 -1.881 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.504 -8.502 -3.250 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.838 -7.369 -3.967 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -1.114 -7.040 -5.277 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.098 -6.484 -3.549 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.377 -6.004 -5.635 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.367 -5.647 -4.603 1.00 0.00 N ATOM 0 H HIS A 61 -4.162 -7.397 -4.738 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.920 -9.250 -4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.505 -8.294 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.918 -9.409 -3.397 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.549 -6.444 -2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.382 -5.530 -6.605 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.033 -4.875 -4.592 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.976 -9.725 -2.813 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.751 -10.562 -1.916 1.00 0.00 C ATOM 1076 C GLY A 62 -5.752 -10.042 -0.493 1.00 0.00 C ATOM 1077 O GLY A 62 -5.771 -10.820 0.461 1.00 0.00 O ATOM 0 H GLY A 62 -5.526 -9.205 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.777 -10.623 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.347 -11.574 -1.929 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.731 -8.721 -0.347 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.729 -8.096 0.970 1.00 0.00 C ATOM 1083 C VAL A 63 -6.639 -6.873 1.000 1.00 0.00 C ATOM 1084 O VAL A 63 -6.781 -6.169 0.002 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.308 -7.676 1.390 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.904 -6.387 0.692 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.223 -7.523 2.901 1.00 0.00 C ATOM 0 H VAL A 63 -5.715 -8.062 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.103 -8.840 1.674 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.612 -8.458 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.897 -6.106 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.924 -6.536 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.601 -5.593 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.212 -7.226 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.929 -6.761 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.467 -8.473 3.377 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.252 -6.627 2.153 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.148 -5.488 2.314 1.00 0.00 C ATOM 1099 C ASN A 64 -7.464 -4.361 3.082 1.00 0.00 C ATOM 1100 O ASN A 64 -7.699 -4.179 4.277 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.424 -5.915 3.043 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.508 -6.378 2.088 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -11.495 -5.678 1.866 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.326 -7.564 1.518 1.00 0.00 N ATOM 0 H ASN A 64 -7.145 -7.201 2.989 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.409 -5.121 1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.189 -6.720 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.798 -5.080 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.021 -7.929 0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.492 -8.110 1.732 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.618 -3.608 2.388 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.902 -2.498 3.004 1.00 0.00 C ATOM 1113 C ILE A 65 -6.856 -1.580 3.761 1.00 0.00 C ATOM 1114 O ILE A 65 -8.072 -1.663 3.598 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.136 -1.671 1.955 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -6.115 -0.987 0.998 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.167 -2.557 1.186 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.513 0.182 0.250 1.00 0.00 C ATOM 0 H ILE A 65 -6.411 -3.746 1.399 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.188 -2.933 3.704 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.563 -0.900 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.478 -1.720 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.980 -0.640 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.633 -1.958 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.452 -3.001 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.721 -3.348 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.264 0.618 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.175 0.935 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.666 -0.163 -0.343 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.294 -0.705 4.588 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.095 0.231 5.370 1.00 0.00 C ATOM 1132 C ASN A 66 -6.590 1.659 5.193 1.00 0.00 C ATOM 1133 O ASN A 66 -5.488 1.998 5.626 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.065 -0.153 6.850 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.668 -1.521 7.105 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.063 -2.221 6.173 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.741 -1.908 8.374 1.00 0.00 N ATOM 0 H ASN A 66 -5.288 -0.624 4.734 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.122 0.181 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.034 -0.141 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.609 0.594 7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.137 -2.819 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.401 -1.295 9.115 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.404 2.494 4.555 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.041 3.887 4.322 1.00 0.00 C ATOM 1146 C VAL A 67 -7.807 4.818 5.256 1.00 0.00 C ATOM 1147 O VAL A 67 -9.035 4.775 5.320 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.314 4.302 2.864 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.757 5.691 2.591 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.724 3.283 1.901 1.00 0.00 C ATOM 0 H VAL A 67 -8.319 2.230 4.190 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.973 3.974 4.523 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.392 4.332 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.959 5.967 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.231 6.411 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.681 5.692 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.926 3.592 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.647 3.218 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.176 2.308 2.082 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.072 5.659 5.978 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.683 6.600 6.908 1.00 0.00 C ATOM 1162 C GLU A 68 -6.831 7.858 7.048 1.00 0.00 C ATOM 1163 O GLU A 68 -5.602 7.792 7.032 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.875 5.945 8.278 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.375 6.904 9.346 1.00 0.00 C ATOM 1166 CD GLU A 68 -9.098 6.194 10.474 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -8.651 5.097 10.869 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -10.111 6.737 10.963 1.00 0.00 O ATOM 0 H GLU A 68 -6.054 5.707 5.936 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.657 6.885 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.582 5.121 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.927 5.515 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.531 7.460 9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.046 7.632 8.890 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.493 9.002 7.185 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.797 10.275 7.329 1.00 0.00 C ATOM 1177 C ALA A 69 -6.031 10.336 8.646 1.00 0.00 C ATOM 1178 O ALA A 69 -6.623 10.273 9.723 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.783 11.429 7.236 1.00 0.00 C ATOM 0 H ALA A 69 -8.510 9.074 7.199 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.077 10.361 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.249 12.373 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.282 11.404 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.525 11.338 8.029 1.00 0.00 H new