USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=8 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 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Set 1.2: A 66 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.068) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0495 X(o=-0.05,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -160:sc= 0.183 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 37 TYR OH : rot 25:sc= 0.344 USER MOD Single : A 41 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-4.9!) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0458) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.363 K(o=0.36,f=-4!) 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= -3.13! X(o=-3.1!,f=-3.1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.932 16.918 2.205 1.00 0.00 N ATOM 84 CA VAL A 2 -2.651 16.137 3.205 1.00 0.00 C ATOM 85 C VAL A 2 -2.071 14.732 3.325 1.00 0.00 C ATOM 86 O VAL A 2 -1.990 13.995 2.343 1.00 0.00 O ATOM 87 CB VAL A 2 -4.150 16.035 2.866 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.850 15.081 3.822 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.799 17.410 2.902 1.00 0.00 C ATOM 0 HA VAL A 2 -2.536 16.657 4.156 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.250 15.638 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.908 15.022 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.401 14.091 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.743 15.446 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.858 17.319 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.690 17.838 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.315 18.060 2.173 1.00 0.00 H new ATOM 99 N LYS A 3 -1.669 14.366 4.538 1.00 0.00 N ATOM 100 CA LYS A 3 -1.098 13.049 4.790 1.00 0.00 C ATOM 101 C LYS A 3 -2.187 11.981 4.824 1.00 0.00 C ATOM 102 O LYS A 3 -3.356 12.280 5.071 1.00 0.00 O ATOM 103 CB LYS A 3 -0.327 13.048 6.112 1.00 0.00 C ATOM 104 CG LYS A 3 0.202 11.681 6.507 1.00 0.00 C ATOM 105 CD LYS A 3 1.024 11.748 7.783 1.00 0.00 C ATOM 106 CE LYS A 3 1.648 10.402 8.117 1.00 0.00 C ATOM 107 NZ LYS A 3 2.000 10.296 9.560 1.00 0.00 N ATOM 0 H LYS A 3 -1.729 14.964 5.362 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.411 12.817 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.509 13.743 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.979 13.418 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.632 10.994 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.814 11.280 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.809 12.496 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.390 12.071 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.953 9.604 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.544 10.257 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.422 9.364 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.682 11.041 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.141 10.408 10.136 1.00 0.00 H new ATOM 121 N LEU A 4 -1.796 10.736 4.576 1.00 0.00 N ATOM 122 CA LEU A 4 -2.740 9.623 4.580 1.00 0.00 C ATOM 123 C LEU A 4 -2.165 8.425 5.328 1.00 0.00 C ATOM 124 O LEU A 4 -1.045 7.989 5.057 1.00 0.00 O ATOM 125 CB LEU A 4 -3.092 9.222 3.146 1.00 0.00 C ATOM 126 CG LEU A 4 -3.653 10.333 2.258 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.501 9.969 0.789 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.113 10.599 2.595 1.00 0.00 C ATOM 0 H LEU A 4 -0.833 10.471 4.370 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.645 9.948 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.196 8.822 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.821 8.412 3.185 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.086 11.244 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.906 10.771 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.445 9.829 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.043 9.046 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.496 11.393 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.695 9.691 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.196 10.904 3.638 1.00 0.00 H new ATOM 140 N PHE A 5 -2.938 7.895 6.270 1.00 0.00 N ATOM 141 CA PHE A 5 -2.507 6.746 7.057 1.00 0.00 C ATOM 142 C PHE A 5 -3.050 5.448 6.467 1.00 0.00 C ATOM 143 O PHE A 5 -4.263 5.238 6.412 1.00 0.00 O ATOM 144 CB PHE A 5 -2.968 6.892 8.508 1.00 0.00 C ATOM 145 CG PHE A 5 -2.932 5.605 9.282 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.767 4.857 9.353 1.00 0.00 C ATOM 147 CD2 PHE A 5 -4.062 5.143 9.937 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.730 3.673 10.065 1.00 0.00 C ATOM 149 CE2 PHE A 5 -4.030 3.960 10.650 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.864 3.223 10.713 1.00 0.00 C ATOM 0 H PHE A 5 -3.867 8.243 6.507 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.418 6.708 7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.337 7.626 9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.985 7.285 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.878 5.203 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.978 5.714 9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.816 3.100 10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.917 3.612 11.158 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.839 2.297 11.268 1.00 0.00 H new ATOM 160 N ILE A 6 -2.145 4.580 6.027 1.00 0.00 N ATOM 161 CA ILE A 6 -2.533 3.303 5.442 1.00 0.00 C ATOM 162 C ILE A 6 -1.967 2.136 6.245 1.00 0.00 C ATOM 163 O ILE A 6 -0.753 1.997 6.387 1.00 0.00 O ATOM 164 CB ILE A 6 -2.059 3.185 3.982 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.479 4.421 3.185 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.616 1.921 3.344 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.812 4.523 1.831 1.00 0.00 C ATOM 0 H ILE A 6 -1.138 4.738 6.065 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.622 3.263 5.466 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.971 3.123 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.560 4.405 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.245 5.314 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.272 1.852 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.271 1.050 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.705 1.954 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.157 5.423 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.731 4.571 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.067 3.648 1.233 1.00 0.00 H new ATOM 179 N GLY A 7 -2.857 1.297 6.767 1.00 0.00 N ATOM 180 CA GLY A 7 -2.428 0.151 7.547 1.00 0.00 C ATOM 181 C GLY A 7 -2.801 -1.166 6.897 1.00 0.00 C ATOM 182 O GLY A 7 -3.418 -1.188 5.834 1.00 0.00 O ATOM 0 H GLY A 7 -3.867 1.391 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.347 0.192 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.876 0.203 8.539 1.00 0.00 H new ATOM 186 N ASN A 8 -2.423 -2.268 7.537 1.00 0.00 N ATOM 187 CA ASN A 8 -2.720 -3.596 7.013 1.00 0.00 C ATOM 188 C ASN A 8 -2.200 -3.747 5.587 1.00 0.00 C ATOM 189 O ASN A 8 -2.934 -4.155 4.686 1.00 0.00 O ATOM 190 CB ASN A 8 -4.227 -3.856 7.048 1.00 0.00 C ATOM 191 CG ASN A 8 -4.558 -5.332 7.151 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.314 -5.751 8.027 1.00 0.00 O ATOM 193 ND2 ASN A 8 -3.989 -6.130 6.254 1.00 0.00 N ATOM 0 H ASN A 8 -1.911 -2.267 8.419 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.217 -4.329 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.664 -3.329 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.684 -3.446 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.173 -7.133 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.368 -5.740 5.545 1.00 0.00 H new ATOM 200 N LEU A 9 -0.929 -3.415 5.389 1.00 0.00 N ATOM 201 CA LEU A 9 -0.309 -3.514 4.072 1.00 0.00 C ATOM 202 C LEU A 9 0.444 -4.832 3.922 1.00 0.00 C ATOM 203 O LEU A 9 1.031 -5.351 4.872 1.00 0.00 O ATOM 204 CB LEU A 9 0.646 -2.339 3.846 1.00 0.00 C ATOM 205 CG LEU A 9 -0.003 -0.959 3.736 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.060 0.127 3.679 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.905 -0.890 2.512 1.00 0.00 C ATOM 0 H LEU A 9 -0.308 -3.075 6.123 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.100 -3.481 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.363 -2.317 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.211 -2.526 2.933 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.615 -0.794 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.580 1.102 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.665 0.092 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.698 -0.034 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.359 0.099 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.315 -1.076 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.688 -1.644 2.594 1.00 0.00 H new ATOM 219 N PRO A 10 0.431 -5.386 2.701 1.00 0.00 N ATOM 220 CA PRO A 10 1.110 -6.649 2.397 1.00 0.00 C ATOM 221 C PRO A 10 2.615 -6.471 2.228 1.00 0.00 C ATOM 222 O PRO A 10 3.156 -5.396 2.488 1.00 0.00 O ATOM 223 CB PRO A 10 0.472 -7.086 1.076 1.00 0.00 C ATOM 224 CG PRO A 10 0.045 -5.817 0.423 1.00 0.00 C ATOM 225 CD PRO A 10 -0.248 -4.822 1.522 1.00 0.00 C ATOM 0 HA PRO A 10 0.998 -7.376 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.182 -7.631 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.377 -7.749 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.828 -5.442 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.839 -5.981 -0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.135 -3.831 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.320 -4.717 1.690 1.00 0.00 H new ATOM 233 N ARG A 11 3.286 -7.532 1.791 1.00 0.00 N ATOM 234 CA ARG A 11 4.729 -7.493 1.588 1.00 0.00 C ATOM 235 C ARG A 11 5.066 -7.292 0.113 1.00 0.00 C ATOM 236 O ARG A 11 6.235 -7.197 -0.258 1.00 0.00 O ATOM 237 CB ARG A 11 5.372 -8.784 2.098 1.00 0.00 C ATOM 238 CG ARG A 11 4.964 -10.020 1.312 1.00 0.00 C ATOM 239 CD ARG A 11 3.774 -10.718 1.952 1.00 0.00 C ATOM 240 NE ARG A 11 2.932 -11.383 0.961 1.00 0.00 N ATOM 241 CZ ARG A 11 2.100 -12.377 1.252 1.00 0.00 C ATOM 242 NH1 ARG A 11 2.000 -12.819 2.498 1.00 0.00 N ATOM 243 NH2 ARG A 11 1.366 -12.931 0.295 1.00 0.00 N ATOM 0 H ARG A 11 2.853 -8.429 1.571 1.00 0.00 H new ATOM 0 HA ARG A 11 5.127 -6.649 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.456 -8.680 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.103 -8.925 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.715 -9.737 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.805 -10.711 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.130 -11.451 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.179 -9.989 2.503 1.00 0.00 H new ATOM 0 HE ARG A 11 2.986 -11.067 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.563 -12.396 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.360 -13.582 2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.440 -12.594 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.727 -13.694 0.519 1.00 0.00 H new ATOM 257 N GLU A 12 4.033 -7.231 -0.721 1.00 0.00 N ATOM 258 CA GLU A 12 4.220 -7.043 -2.155 1.00 0.00 C ATOM 259 C GLU A 12 4.089 -5.570 -2.532 1.00 0.00 C ATOM 260 O GLU A 12 4.718 -5.104 -3.482 1.00 0.00 O ATOM 261 CB GLU A 12 3.202 -7.874 -2.938 1.00 0.00 C ATOM 262 CG GLU A 12 3.381 -9.373 -2.769 1.00 0.00 C ATOM 263 CD GLU A 12 2.224 -10.167 -3.342 1.00 0.00 C ATOM 264 OE1 GLU A 12 2.064 -10.175 -4.581 1.00 0.00 O ATOM 265 OE2 GLU A 12 1.477 -10.782 -2.552 1.00 0.00 O ATOM 0 H GLU A 12 3.059 -7.309 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 12 5.225 -7.378 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.197 -7.598 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.279 -7.624 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.306 -9.682 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.487 -9.605 -1.709 1.00 0.00 H new ATOM 272 N ALA A 13 3.268 -4.844 -1.782 1.00 0.00 N ATOM 273 CA ALA A 13 3.055 -3.424 -2.036 1.00 0.00 C ATOM 274 C ALA A 13 4.380 -2.672 -2.091 1.00 0.00 C ATOM 275 O ALA A 13 5.290 -2.936 -1.305 1.00 0.00 O ATOM 276 CB ALA A 13 2.151 -2.827 -0.968 1.00 0.00 C ATOM 0 H ALA A 13 2.739 -5.215 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 13 2.569 -3.322 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.000 -1.767 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.189 -3.339 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.615 -2.948 0.011 1.00 0.00 H new ATOM 282 N THR A 14 4.483 -1.733 -3.027 1.00 0.00 N ATOM 283 CA THR A 14 5.698 -0.943 -3.186 1.00 0.00 C ATOM 284 C THR A 14 5.380 0.546 -3.262 1.00 0.00 C ATOM 285 O THR A 14 4.294 0.936 -3.689 1.00 0.00 O ATOM 286 CB THR A 14 6.474 -1.356 -4.451 1.00 0.00 C ATOM 287 OG1 THR A 14 5.591 -1.395 -5.577 1.00 0.00 O ATOM 288 CG2 THR A 14 7.127 -2.717 -4.265 1.00 0.00 C ATOM 0 H THR A 14 3.740 -1.501 -3.686 1.00 0.00 H new ATOM 0 HA THR A 14 6.317 -1.135 -2.310 1.00 0.00 H new ATOM 0 HB THR A 14 7.255 -0.617 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.093 -1.657 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.669 -2.987 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.821 -2.676 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.359 -3.465 -4.065 1.00 0.00 H new ATOM 296 N GLU A 15 6.334 1.372 -2.846 1.00 0.00 N ATOM 297 CA GLU A 15 6.154 2.819 -2.868 1.00 0.00 C ATOM 298 C GLU A 15 5.405 3.255 -4.124 1.00 0.00 C ATOM 299 O GLU A 15 4.432 4.005 -4.049 1.00 0.00 O ATOM 300 CB GLU A 15 7.509 3.526 -2.797 1.00 0.00 C ATOM 301 CG GLU A 15 8.017 3.729 -1.379 1.00 0.00 C ATOM 302 CD GLU A 15 8.827 2.550 -0.876 1.00 0.00 C ATOM 303 OE1 GLU A 15 8.502 1.404 -1.249 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.786 2.774 -0.108 1.00 0.00 O ATOM 0 H GLU A 15 7.239 1.065 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 15 5.561 3.099 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.242 2.945 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.429 4.496 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.631 4.629 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.170 3.894 -0.713 1.00 0.00 H new ATOM 311 N GLN A 16 5.868 2.781 -5.276 1.00 0.00 N ATOM 312 CA GLN A 16 5.243 3.123 -6.548 1.00 0.00 C ATOM 313 C GLN A 16 3.784 2.680 -6.575 1.00 0.00 C ATOM 314 O GLN A 16 2.875 3.509 -6.584 1.00 0.00 O ATOM 315 CB GLN A 16 6.006 2.476 -7.705 1.00 0.00 C ATOM 316 CG GLN A 16 7.390 3.065 -7.927 1.00 0.00 C ATOM 317 CD GLN A 16 8.243 2.219 -8.851 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.875 1.098 -9.201 1.00 0.00 O ATOM 319 NE2 GLN A 16 9.391 2.753 -9.251 1.00 0.00 N ATOM 0 H GLN A 16 6.673 2.160 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 16 5.276 4.207 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.102 1.407 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.423 2.585 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.292 4.067 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.895 3.169 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.657 3.686 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.007 2.230 -9.873 1.00 0.00 H new ATOM 328 N GLU A 17 3.569 1.369 -6.587 1.00 0.00 N ATOM 329 CA GLU A 17 2.220 0.817 -6.613 1.00 0.00 C ATOM 330 C GLU A 17 1.258 1.691 -5.814 1.00 0.00 C ATOM 331 O GLU A 17 0.258 2.178 -6.344 1.00 0.00 O ATOM 332 CB GLU A 17 2.216 -0.607 -6.054 1.00 0.00 C ATOM 333 CG GLU A 17 2.839 -1.630 -6.989 1.00 0.00 C ATOM 334 CD GLU A 17 2.001 -1.874 -8.229 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.834 -2.295 -8.084 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.512 -1.642 -9.344 1.00 0.00 O ATOM 0 H GLU A 17 4.311 0.669 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 17 1.886 0.793 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.755 -0.618 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.189 -0.901 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.830 -1.288 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.973 -2.571 -6.455 1.00 0.00 H new ATOM 343 N ILE A 18 1.568 1.886 -4.537 1.00 0.00 N ATOM 344 CA ILE A 18 0.732 2.702 -3.665 1.00 0.00 C ATOM 345 C ILE A 18 0.616 4.128 -4.192 1.00 0.00 C ATOM 346 O ILE A 18 -0.461 4.725 -4.164 1.00 0.00 O ATOM 347 CB ILE A 18 1.287 2.741 -2.229 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.377 1.326 -1.655 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.413 3.621 -1.347 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.145 0.488 -1.915 1.00 0.00 C ATOM 0 H ILE A 18 2.391 1.490 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.255 2.241 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 18 2.290 3.167 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.245 0.824 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.543 1.389 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.818 3.639 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.395 4.634 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.601 3.221 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.280 -0.502 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.723 0.968 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.011 0.394 -2.990 1.00 0.00 H new ATOM 362 N ARG A 19 1.731 4.668 -4.673 1.00 0.00 N ATOM 363 CA ARG A 19 1.754 6.025 -5.208 1.00 0.00 C ATOM 364 C ARG A 19 0.791 6.162 -6.383 1.00 0.00 C ATOM 365 O ARG A 19 -0.130 6.978 -6.352 1.00 0.00 O ATOM 366 CB ARG A 19 3.170 6.398 -5.649 1.00 0.00 C ATOM 367 CG ARG A 19 3.287 7.814 -6.188 1.00 0.00 C ATOM 368 CD ARG A 19 4.444 7.943 -7.167 1.00 0.00 C ATOM 369 NE ARG A 19 4.872 9.330 -7.328 1.00 0.00 N ATOM 370 CZ ARG A 19 5.503 10.019 -6.383 1.00 0.00 C ATOM 371 NH1 ARG A 19 5.779 9.452 -5.217 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.861 11.277 -6.605 1.00 0.00 N ATOM 0 H ARG A 19 2.630 4.187 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 19 1.436 6.706 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.847 6.283 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.499 5.698 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.357 8.094 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.430 8.509 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.284 7.343 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.146 7.541 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 19 4.676 9.795 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.507 8.484 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.263 9.983 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.652 11.716 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.345 11.805 -5.879 1.00 0.00 H new ATOM 386 N SER A 20 1.011 5.358 -7.419 1.00 0.00 N ATOM 387 CA SER A 20 0.166 5.393 -8.607 1.00 0.00 C ATOM 388 C SER A 20 -1.311 5.420 -8.222 1.00 0.00 C ATOM 389 O SER A 20 -2.057 6.308 -8.637 1.00 0.00 O ATOM 390 CB SER A 20 0.451 4.183 -9.497 1.00 0.00 C ATOM 391 OG SER A 20 0.106 4.449 -10.846 1.00 0.00 O ATOM 0 H SER A 20 1.767 4.675 -7.459 1.00 0.00 H new ATOM 0 HA SER A 20 0.396 6.304 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.507 3.922 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.113 3.322 -9.137 1.00 0.00 H new ATOM 0 HG SER A 20 0.299 3.660 -11.395 1.00 0.00 H new ATOM 397 N LEU A 21 -1.726 4.440 -7.427 1.00 0.00 N ATOM 398 CA LEU A 21 -3.113 4.350 -6.985 1.00 0.00 C ATOM 399 C LEU A 21 -3.682 5.734 -6.689 1.00 0.00 C ATOM 400 O LEU A 21 -4.768 6.082 -7.153 1.00 0.00 O ATOM 401 CB LEU A 21 -3.216 3.466 -5.741 1.00 0.00 C ATOM 402 CG LEU A 21 -3.186 1.957 -5.984 1.00 0.00 C ATOM 403 CD1 LEU A 21 -2.981 1.209 -4.676 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.468 1.502 -6.666 1.00 0.00 C ATOM 0 H LEU A 21 -1.122 3.697 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.697 3.903 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.396 3.722 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.142 3.712 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.347 1.731 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.962 0.136 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.035 1.513 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.798 1.440 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.430 0.425 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.322 1.742 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.572 2.013 -7.623 1.00 0.00 H new ATOM 416 N PHE A 22 -2.940 6.519 -5.915 1.00 0.00 N ATOM 417 CA PHE A 22 -3.370 7.866 -5.558 1.00 0.00 C ATOM 418 C PHE A 22 -3.256 8.808 -6.753 1.00 0.00 C ATOM 419 O PHE A 22 -4.119 9.659 -6.970 1.00 0.00 O ATOM 420 CB PHE A 22 -2.533 8.399 -4.393 1.00 0.00 C ATOM 421 CG PHE A 22 -2.854 7.749 -3.078 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.033 8.045 -2.413 1.00 0.00 C ATOM 423 CD2 PHE A 22 -1.977 6.841 -2.507 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.331 7.448 -1.202 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.270 6.241 -1.296 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.448 6.544 -0.644 1.00 0.00 C ATOM 0 H PHE A 22 -2.039 6.246 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.416 7.818 -5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.477 8.248 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.689 9.474 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.727 8.750 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.054 6.599 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.253 7.688 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.577 5.536 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.679 6.075 0.301 1.00 0.00 H new ATOM 436 N GLU A 23 -2.185 8.649 -7.525 1.00 0.00 N ATOM 437 CA GLU A 23 -1.958 9.487 -8.697 1.00 0.00 C ATOM 438 C GLU A 23 -3.200 9.531 -9.583 1.00 0.00 C ATOM 439 O GLU A 23 -3.341 10.416 -10.426 1.00 0.00 O ATOM 440 CB GLU A 23 -0.764 8.966 -9.499 1.00 0.00 C ATOM 441 CG GLU A 23 0.579 9.434 -8.965 1.00 0.00 C ATOM 442 CD GLU A 23 1.032 10.740 -9.589 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.162 11.553 -9.963 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.259 10.948 -9.703 1.00 0.00 O ATOM 0 H GLU A 23 -1.462 7.949 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.742 10.499 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.785 7.876 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.865 9.287 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.513 9.556 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.329 8.666 -9.154 1.00 0.00 H new ATOM 451 N GLN A 24 -4.095 8.569 -9.385 1.00 0.00 N ATOM 452 CA GLN A 24 -5.324 8.497 -10.166 1.00 0.00 C ATOM 453 C GLN A 24 -6.338 9.528 -9.682 1.00 0.00 C ATOM 454 O GLN A 24 -7.107 10.076 -10.473 1.00 0.00 O ATOM 455 CB GLN A 24 -5.926 7.093 -10.082 1.00 0.00 C ATOM 456 CG GLN A 24 -5.040 6.014 -10.684 1.00 0.00 C ATOM 457 CD GLN A 24 -5.809 4.754 -11.028 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.588 4.729 -11.981 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.592 3.698 -10.253 1.00 0.00 N ATOM 0 H GLN A 24 -3.992 7.829 -8.691 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.078 8.717 -11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.119 6.851 -9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.889 7.088 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.563 6.401 -11.584 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.244 5.769 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.937 3.763 -9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.080 2.821 -10.437 1.00 0.00 H new ATOM 468 N TYR A 25 -6.335 9.787 -8.379 1.00 0.00 N ATOM 469 CA TYR A 25 -7.257 10.750 -7.789 1.00 0.00 C ATOM 470 C TYR A 25 -6.501 11.939 -7.203 1.00 0.00 C ATOM 471 O TYR A 25 -6.961 12.576 -6.256 1.00 0.00 O ATOM 472 CB TYR A 25 -8.099 10.081 -6.702 1.00 0.00 C ATOM 473 CG TYR A 25 -8.450 8.642 -7.007 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.484 7.645 -6.957 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.749 8.280 -7.344 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.801 6.330 -7.236 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.075 6.967 -7.623 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.097 5.996 -7.568 1.00 0.00 C ATOM 479 OH TYR A 25 -9.416 4.686 -7.845 1.00 0.00 O ATOM 0 H TYR A 25 -5.704 9.343 -7.711 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.916 11.114 -8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.556 10.121 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.019 10.649 -6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.468 7.902 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.517 9.038 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.038 5.567 -7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.089 6.702 -7.883 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.370 4.620 -8.060 1.00 0.00 H new ATOM 489 N GLY A 26 -5.338 12.233 -7.776 1.00 0.00 N ATOM 490 CA GLY A 26 -4.536 13.344 -7.299 1.00 0.00 C ATOM 491 C GLY A 26 -3.060 13.005 -7.226 1.00 0.00 C ATOM 492 O GLY A 26 -2.686 11.921 -6.779 1.00 0.00 O ATOM 0 H GLY A 26 -4.937 11.721 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.677 14.200 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.886 13.643 -6.311 1.00 0.00 H new ATOM 496 N LYS A 27 -2.219 13.934 -7.667 1.00 0.00 N ATOM 497 CA LYS A 27 -0.775 13.730 -7.650 1.00 0.00 C ATOM 498 C LYS A 27 -0.283 13.441 -6.236 1.00 0.00 C ATOM 499 O LYS A 27 -0.837 13.947 -5.260 1.00 0.00 O ATOM 500 CB LYS A 27 -0.059 14.961 -8.210 1.00 0.00 C ATOM 501 CG LYS A 27 1.436 14.968 -7.942 1.00 0.00 C ATOM 502 CD LYS A 27 2.170 13.996 -8.850 1.00 0.00 C ATOM 503 CE LYS A 27 3.620 13.820 -8.424 1.00 0.00 C ATOM 504 NZ LYS A 27 4.487 13.413 -9.563 1.00 0.00 N ATOM 0 H LYS A 27 -2.513 14.836 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.547 12.868 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.227 15.011 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.502 15.858 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.829 15.974 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.621 14.705 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.665 13.030 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.133 14.358 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.990 14.754 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.678 13.069 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.467 13.303 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.149 12.509 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.452 14.142 -10.304 1.00 0.00 H new ATOM 518 N VAL A 28 0.762 12.625 -6.133 1.00 0.00 N ATOM 519 CA VAL A 28 1.330 12.271 -4.838 1.00 0.00 C ATOM 520 C VAL A 28 2.610 13.054 -4.567 1.00 0.00 C ATOM 521 O VAL A 28 3.367 13.365 -5.487 1.00 0.00 O ATOM 522 CB VAL A 28 1.636 10.764 -4.752 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.541 10.469 -3.566 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.345 9.963 -4.661 1.00 0.00 C ATOM 0 H VAL A 28 1.232 12.197 -6.931 1.00 0.00 H new ATOM 0 HA VAL A 28 0.584 12.526 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 28 2.159 10.465 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.746 9.399 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.478 11.014 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.048 10.782 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.580 8.900 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.208 10.263 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.263 10.151 -5.546 1.00 0.00 H new ATOM 534 N LEU A 29 2.846 13.369 -3.298 1.00 0.00 N ATOM 535 CA LEU A 29 4.036 14.116 -2.905 1.00 0.00 C ATOM 536 C LEU A 29 5.064 13.198 -2.251 1.00 0.00 C ATOM 537 O LEU A 29 6.209 13.119 -2.694 1.00 0.00 O ATOM 538 CB LEU A 29 3.659 15.245 -1.943 1.00 0.00 C ATOM 539 CG LEU A 29 2.653 16.268 -2.471 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.410 17.359 -1.440 1.00 0.00 C ATOM 541 CD2 LEU A 29 3.141 16.869 -3.781 1.00 0.00 C ATOM 0 H LEU A 29 2.230 13.119 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 29 4.479 14.545 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.252 14.801 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.569 15.773 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 29 1.709 15.757 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.691 18.078 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.016 16.915 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.349 17.868 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.412 17.595 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.098 17.365 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.263 16.078 -4.521 1.00 0.00 H new ATOM 553 N GLU A 30 4.645 12.505 -1.197 1.00 0.00 N ATOM 554 CA GLU A 30 5.530 11.591 -0.484 1.00 0.00 C ATOM 555 C GLU A 30 4.845 10.249 -0.242 1.00 0.00 C ATOM 556 O GLU A 30 3.617 10.161 -0.223 1.00 0.00 O ATOM 557 CB GLU A 30 5.963 12.203 0.850 1.00 0.00 C ATOM 558 CG GLU A 30 7.027 13.278 0.710 1.00 0.00 C ATOM 559 CD GLU A 30 7.562 13.748 2.048 1.00 0.00 C ATOM 560 OE1 GLU A 30 7.833 12.889 2.913 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.710 14.974 2.232 1.00 0.00 O ATOM 0 H GLU A 30 3.699 12.559 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 30 6.412 11.423 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.090 12.630 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.341 11.412 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.851 12.892 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.610 14.129 0.171 1.00 0.00 H new ATOM 568 N CYS A 31 5.649 9.207 -0.059 1.00 0.00 N ATOM 569 CA CYS A 31 5.121 7.868 0.180 1.00 0.00 C ATOM 570 C CYS A 31 6.136 7.010 0.928 1.00 0.00 C ATOM 571 O CYS A 31 7.126 6.557 0.352 1.00 0.00 O ATOM 572 CB CYS A 31 4.748 7.200 -1.144 1.00 0.00 C ATOM 573 SG CYS A 31 4.063 5.537 -0.965 1.00 0.00 S ATOM 0 H CYS A 31 6.667 9.263 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 31 4.226 7.961 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.022 7.826 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.635 7.150 -1.776 1.00 0.00 H new ATOM 0 HG CYS A 31 4.168 4.901 -2.094 1.00 0.00 H new ATOM 579 N ASP A 32 5.885 6.791 2.214 1.00 0.00 N ATOM 580 CA ASP A 32 6.777 5.987 3.042 1.00 0.00 C ATOM 581 C ASP A 32 6.048 4.770 3.602 1.00 0.00 C ATOM 582 O ASP A 32 5.083 4.904 4.355 1.00 0.00 O ATOM 583 CB ASP A 32 7.342 6.830 4.186 1.00 0.00 C ATOM 584 CG ASP A 32 8.428 6.105 4.957 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.738 4.949 4.601 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.969 6.694 5.916 1.00 0.00 O ATOM 0 H ASP A 32 5.071 7.159 2.706 1.00 0.00 H new ATOM 0 HA ASP A 32 7.599 5.639 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.745 7.760 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.535 7.100 4.867 1.00 0.00 H new ATOM 591 N ILE A 33 6.516 3.583 3.228 1.00 0.00 N ATOM 592 CA ILE A 33 5.909 2.343 3.693 1.00 0.00 C ATOM 593 C ILE A 33 6.779 1.666 4.747 1.00 0.00 C ATOM 594 O ILE A 33 7.824 1.097 4.430 1.00 0.00 O ATOM 595 CB ILE A 33 5.673 1.361 2.530 1.00 0.00 C ATOM 596 CG1 ILE A 33 4.776 2.000 1.468 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.055 0.069 3.045 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.481 1.088 0.298 1.00 0.00 C ATOM 0 H ILE A 33 7.313 3.455 2.605 1.00 0.00 H new ATOM 0 HA ILE A 33 4.948 2.608 4.134 1.00 0.00 H new ATOM 0 HB ILE A 33 6.634 1.125 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.836 2.300 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.253 2.908 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.894 -0.615 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.727 -0.393 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.101 0.288 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.840 1.607 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.415 0.808 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.975 0.191 0.655 1.00 0.00 H new ATOM 610 N ILE A 34 6.340 1.730 5.999 1.00 0.00 N ATOM 611 CA ILE A 34 7.077 1.121 7.099 1.00 0.00 C ATOM 612 C ILE A 34 6.130 0.593 8.171 1.00 0.00 C ATOM 613 O ILE A 34 4.953 0.954 8.208 1.00 0.00 O ATOM 614 CB ILE A 34 8.056 2.120 7.742 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.727 2.976 6.665 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.101 1.383 8.566 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.380 4.228 7.208 1.00 0.00 C ATOM 0 H ILE A 34 5.477 2.198 6.277 1.00 0.00 H new ATOM 0 HA ILE A 34 7.643 0.290 6.677 1.00 0.00 H new ATOM 0 HB ILE A 34 7.495 2.778 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.479 2.377 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.983 3.258 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.786 2.103 9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.608 0.813 9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.660 0.704 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.835 4.785 6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.628 4.848 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.148 3.953 7.931 1.00 0.00 H new ATOM 629 N LYS A 35 6.650 -0.263 9.043 1.00 0.00 N ATOM 630 CA LYS A 35 5.853 -0.840 10.119 1.00 0.00 C ATOM 631 C LYS A 35 4.461 -1.218 9.623 1.00 0.00 C ATOM 632 O LYS A 35 3.454 -0.785 10.181 1.00 0.00 O ATOM 633 CB LYS A 35 5.740 0.148 11.283 1.00 0.00 C ATOM 634 CG LYS A 35 6.952 0.151 12.198 1.00 0.00 C ATOM 635 CD LYS A 35 6.574 0.513 13.624 1.00 0.00 C ATOM 636 CE LYS A 35 7.805 0.700 14.497 1.00 0.00 C ATOM 637 NZ LYS A 35 8.483 -0.594 14.784 1.00 0.00 N ATOM 0 H LYS A 35 7.622 -0.573 9.026 1.00 0.00 H new ATOM 0 HA LYS A 35 6.354 -1.744 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.594 1.152 10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.853 -0.094 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.422 -0.832 12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.689 0.862 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.984 1.430 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.944 -0.271 14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.503 1.374 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.516 1.175 15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.317 -0.424 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.825 -1.228 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.781 -1.035 13.891 1.00 0.00 H new ATOM 651 N ASN A 36 4.413 -2.029 8.571 1.00 0.00 N ATOM 652 CA ASN A 36 3.145 -2.466 8.000 1.00 0.00 C ATOM 653 C ASN A 36 2.199 -1.284 7.806 1.00 0.00 C ATOM 654 O ASN A 36 0.983 -1.421 7.936 1.00 0.00 O ATOM 655 CB ASN A 36 2.490 -3.514 8.902 1.00 0.00 C ATOM 656 CG ASN A 36 3.505 -4.444 9.538 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.416 -4.936 8.872 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.350 -4.690 10.834 1.00 0.00 N ATOM 0 H ASN A 36 5.238 -2.397 8.097 1.00 0.00 H new ATOM 0 HA ASN A 36 3.348 -2.910 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.921 -3.012 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.780 -4.100 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.001 -5.309 11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.580 -4.260 11.346 1.00 0.00 H new ATOM 665 N TYR A 37 2.767 -0.125 7.493 1.00 0.00 N ATOM 666 CA TYR A 37 1.976 1.082 7.282 1.00 0.00 C ATOM 667 C TYR A 37 2.573 1.937 6.169 1.00 0.00 C ATOM 668 O TYR A 37 3.760 1.836 5.861 1.00 0.00 O ATOM 669 CB TYR A 37 1.893 1.894 8.576 1.00 0.00 C ATOM 670 CG TYR A 37 3.103 2.766 8.822 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.404 3.826 7.974 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.946 2.531 9.901 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.509 4.625 8.195 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.052 3.326 10.130 1.00 0.00 C ATOM 675 CZ TYR A 37 5.330 4.372 9.274 1.00 0.00 C ATOM 676 OH TYR A 37 6.432 5.165 9.498 1.00 0.00 O ATOM 0 H TYR A 37 3.772 0.005 7.380 1.00 0.00 H new ATOM 0 HA TYR A 37 0.972 0.781 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.003 2.523 8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.771 1.211 9.417 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.763 4.028 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.733 1.712 10.572 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.729 5.444 7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.696 3.130 10.975 1.00 0.00 H new ATOM 0 HH TYR A 37 6.289 6.046 9.094 1.00 0.00 H new ATOM 686 N GLY A 38 1.739 2.780 5.568 1.00 0.00 N ATOM 687 CA GLY A 38 2.201 3.642 4.495 1.00 0.00 C ATOM 688 C GLY A 38 1.638 5.046 4.596 1.00 0.00 C ATOM 689 O GLY A 38 0.425 5.229 4.708 1.00 0.00 O ATOM 0 H GLY A 38 0.752 2.882 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.290 3.688 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.917 3.208 3.536 1.00 0.00 H new ATOM 693 N PHE A 39 2.519 6.039 4.557 1.00 0.00 N ATOM 694 CA PHE A 39 2.103 7.434 4.648 1.00 0.00 C ATOM 695 C PHE A 39 2.132 8.100 3.275 1.00 0.00 C ATOM 696 O PHE A 39 3.200 8.334 2.709 1.00 0.00 O ATOM 697 CB PHE A 39 3.009 8.197 5.617 1.00 0.00 C ATOM 698 CG PHE A 39 3.038 7.609 6.999 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.925 6.964 7.515 1.00 0.00 C ATOM 700 CD2 PHE A 39 4.177 7.702 7.782 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.949 6.422 8.786 1.00 0.00 C ATOM 702 CE2 PHE A 39 4.206 7.162 9.053 1.00 0.00 C ATOM 703 CZ PHE A 39 3.090 6.522 9.557 1.00 0.00 C ATOM 0 H PHE A 39 3.526 5.904 4.463 1.00 0.00 H new ATOM 0 HA PHE A 39 1.080 7.459 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.023 8.214 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.673 9.232 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.029 6.884 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.052 8.202 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.076 5.920 9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.101 7.240 9.653 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.110 6.101 10.551 1.00 0.00 H new ATOM 713 N VAL A 40 0.951 8.403 2.746 1.00 0.00 N ATOM 714 CA VAL A 40 0.840 9.043 1.440 1.00 0.00 C ATOM 715 C VAL A 40 0.332 10.474 1.571 1.00 0.00 C ATOM 716 O VAL A 40 -0.698 10.724 2.198 1.00 0.00 O ATOM 717 CB VAL A 40 -0.103 8.258 0.509 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.364 9.040 -0.769 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.478 6.887 0.196 1.00 0.00 C ATOM 0 H VAL A 40 0.058 8.216 3.201 1.00 0.00 H new ATOM 0 HA VAL A 40 1.840 9.054 1.007 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.055 8.116 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.032 8.470 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.826 9.996 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.579 9.215 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.201 6.346 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.444 7.005 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.608 6.327 1.122 1.00 0.00 H new ATOM 729 N HIS A 41 1.061 11.412 0.975 1.00 0.00 N ATOM 730 CA HIS A 41 0.684 12.820 1.024 1.00 0.00 C ATOM 731 C HIS A 41 0.160 13.290 -0.330 1.00 0.00 C ATOM 732 O HIS A 41 0.934 13.522 -1.259 1.00 0.00 O ATOM 733 CB HIS A 41 1.878 13.676 1.446 1.00 0.00 C ATOM 734 CG HIS A 41 2.636 13.114 2.610 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.260 11.885 2.579 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.870 13.622 3.842 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.844 11.661 3.742 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.622 12.700 4.527 1.00 0.00 N ATOM 0 H HIS A 41 1.916 11.222 0.452 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.112 12.931 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.556 13.783 0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.526 14.676 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.529 14.576 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.407 10.778 4.006 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.955 12.801 5.486 1.00 0.00 H new ATOM 746 N ILE A 42 -1.158 13.425 -0.434 1.00 0.00 N ATOM 747 CA ILE A 42 -1.784 13.867 -1.674 1.00 0.00 C ATOM 748 C ILE A 42 -1.596 15.366 -1.882 1.00 0.00 C ATOM 749 O ILE A 42 -1.181 16.081 -0.970 1.00 0.00 O ATOM 750 CB ILE A 42 -3.290 13.543 -1.691 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.831 13.606 -3.121 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.048 14.504 -0.788 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.133 12.859 -3.307 1.00 0.00 C ATOM 0 H ILE A 42 -1.812 13.235 0.325 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.295 13.326 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.434 12.531 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.977 14.649 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.085 13.195 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.111 14.263 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.677 14.414 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.901 15.526 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.458 12.946 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.988 11.807 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.893 13.284 -2.652 1.00 0.00 H new ATOM 765 N GLU A 43 -1.904 15.834 -3.087 1.00 0.00 N ATOM 766 CA GLU A 43 -1.770 17.249 -3.413 1.00 0.00 C ATOM 767 C GLU A 43 -2.839 18.075 -2.703 1.00 0.00 C ATOM 768 O GLU A 43 -2.555 18.770 -1.727 1.00 0.00 O ATOM 769 CB GLU A 43 -1.869 17.458 -4.926 1.00 0.00 C ATOM 770 CG GLU A 43 -2.418 18.819 -5.317 1.00 0.00 C ATOM 771 CD GLU A 43 -1.879 19.305 -6.649 1.00 0.00 C ATOM 772 OE1 GLU A 43 -2.077 18.603 -7.662 1.00 0.00 O ATOM 773 OE2 GLU A 43 -1.259 20.389 -6.677 1.00 0.00 O ATOM 0 H GLU A 43 -2.248 15.255 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.791 17.583 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.880 17.334 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.507 16.683 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.506 18.767 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.168 19.544 -4.542 1.00 0.00 H new ATOM 780 N ASP A 44 -4.068 17.995 -3.202 1.00 0.00 N ATOM 781 CA ASP A 44 -5.180 18.734 -2.616 1.00 0.00 C ATOM 782 C ASP A 44 -5.989 17.845 -1.677 1.00 0.00 C ATOM 783 O ASP A 44 -6.170 16.655 -1.934 1.00 0.00 O ATOM 784 CB ASP A 44 -6.085 19.292 -3.716 1.00 0.00 C ATOM 785 CG ASP A 44 -6.945 20.442 -3.230 1.00 0.00 C ATOM 786 OD1 ASP A 44 -6.591 21.055 -2.200 1.00 0.00 O ATOM 787 OD2 ASP A 44 -7.972 20.730 -3.879 1.00 0.00 O ATOM 0 H ASP A 44 -4.319 17.426 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.769 19.562 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.471 19.629 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.727 18.496 -4.093 1.00 0.00 H new ATOM 792 N LYS A 45 -6.472 18.430 -0.586 1.00 0.00 N ATOM 793 CA LYS A 45 -7.262 17.693 0.392 1.00 0.00 C ATOM 794 C LYS A 45 -8.415 16.957 -0.283 1.00 0.00 C ATOM 795 O LYS A 45 -8.545 15.738 -0.159 1.00 0.00 O ATOM 796 CB LYS A 45 -7.806 18.644 1.460 1.00 0.00 C ATOM 797 CG LYS A 45 -8.660 17.955 2.511 1.00 0.00 C ATOM 798 CD LYS A 45 -9.610 18.930 3.185 1.00 0.00 C ATOM 799 CE LYS A 45 -8.965 19.590 4.395 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.248 20.842 4.026 1.00 0.00 N ATOM 0 H LYS A 45 -6.330 19.414 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.612 16.957 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.970 19.141 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.398 19.421 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.231 17.151 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.016 17.496 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.915 19.695 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.514 18.405 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.731 19.815 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.266 18.894 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.348 20.892 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.059 20.845 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.836 21.664 4.272 1.00 0.00 H new ATOM 814 N THR A 46 -9.250 17.703 -0.999 1.00 0.00 N ATOM 815 CA THR A 46 -10.391 17.122 -1.694 1.00 0.00 C ATOM 816 C THR A 46 -9.977 15.897 -2.503 1.00 0.00 C ATOM 817 O THR A 46 -10.726 14.927 -2.605 1.00 0.00 O ATOM 818 CB THR A 46 -11.056 18.143 -2.635 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.606 19.225 -1.874 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.154 17.486 -3.459 1.00 0.00 C ATOM 0 H THR A 46 -9.157 18.712 -1.113 1.00 0.00 H new ATOM 0 HA THR A 46 -11.108 16.824 -0.929 1.00 0.00 H new ATOM 0 HB THR A 46 -10.295 18.527 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.026 19.871 -2.480 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.609 18.227 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.727 16.682 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.914 17.077 -2.793 1.00 0.00 H new ATOM 828 N ALA A 47 -8.779 15.950 -3.076 1.00 0.00 N ATOM 829 CA ALA A 47 -8.264 14.844 -3.873 1.00 0.00 C ATOM 830 C ALA A 47 -8.153 13.572 -3.040 1.00 0.00 C ATOM 831 O ALA A 47 -8.295 12.465 -3.559 1.00 0.00 O ATOM 832 CB ALA A 47 -6.912 15.207 -4.468 1.00 0.00 C ATOM 0 H ALA A 47 -8.147 16.747 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.967 14.655 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.539 14.372 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.019 16.085 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.208 15.425 -3.665 1.00 0.00 H new ATOM 838 N ALA A 48 -7.899 13.737 -1.746 1.00 0.00 N ATOM 839 CA ALA A 48 -7.770 12.601 -0.842 1.00 0.00 C ATOM 840 C ALA A 48 -9.068 11.804 -0.774 1.00 0.00 C ATOM 841 O ALA A 48 -9.126 10.658 -1.220 1.00 0.00 O ATOM 842 CB ALA A 48 -7.367 13.076 0.547 1.00 0.00 C ATOM 0 H ALA A 48 -7.779 14.647 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.991 11.945 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.274 12.218 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.411 13.596 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.127 13.755 0.934 1.00 0.00 H new ATOM 848 N GLU A 49 -10.105 12.417 -0.213 1.00 0.00 N ATOM 849 CA GLU A 49 -11.402 11.762 -0.086 1.00 0.00 C ATOM 850 C GLU A 49 -11.702 10.907 -1.314 1.00 0.00 C ATOM 851 O GLU A 49 -12.073 9.739 -1.195 1.00 0.00 O ATOM 852 CB GLU A 49 -12.507 12.802 0.107 1.00 0.00 C ATOM 853 CG GLU A 49 -12.774 13.145 1.563 1.00 0.00 C ATOM 854 CD GLU A 49 -13.821 12.246 2.191 1.00 0.00 C ATOM 855 OE1 GLU A 49 -13.455 11.153 2.671 1.00 0.00 O ATOM 856 OE2 GLU A 49 -15.007 12.637 2.204 1.00 0.00 O ATOM 0 H GLU A 49 -10.073 13.366 0.161 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.368 11.112 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.235 13.712 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.427 12.430 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.845 13.064 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.101 14.182 1.634 1.00 0.00 H new ATOM 863 N ASP A 50 -11.539 11.497 -2.493 1.00 0.00 N ATOM 864 CA ASP A 50 -11.791 10.791 -3.743 1.00 0.00 C ATOM 865 C ASP A 50 -11.078 9.442 -3.759 1.00 0.00 C ATOM 866 O ASP A 50 -11.702 8.401 -3.963 1.00 0.00 O ATOM 867 CB ASP A 50 -11.335 11.637 -4.933 1.00 0.00 C ATOM 868 CG ASP A 50 -12.433 12.541 -5.456 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.245 12.073 -6.281 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.482 13.717 -5.039 1.00 0.00 O ATOM 0 H ASP A 50 -11.233 12.463 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.864 10.616 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.479 12.244 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.997 10.980 -5.734 1.00 0.00 H new ATOM 875 N ALA A 51 -9.767 9.469 -3.544 1.00 0.00 N ATOM 876 CA ALA A 51 -8.969 8.249 -3.532 1.00 0.00 C ATOM 877 C ALA A 51 -9.257 7.417 -2.288 1.00 0.00 C ATOM 878 O ALA A 51 -9.705 6.274 -2.384 1.00 0.00 O ATOM 879 CB ALA A 51 -7.488 8.587 -3.612 1.00 0.00 C ATOM 0 H ALA A 51 -9.235 10.323 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.243 7.656 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.904 7.667 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.289 9.133 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.209 9.203 -2.757 1.00 0.00 H new ATOM 885 N ILE A 52 -8.997 7.996 -1.121 1.00 0.00 N ATOM 886 CA ILE A 52 -9.230 7.307 0.143 1.00 0.00 C ATOM 887 C ILE A 52 -10.470 6.423 0.067 1.00 0.00 C ATOM 888 O ILE A 52 -10.385 5.204 0.218 1.00 0.00 O ATOM 889 CB ILE A 52 -9.394 8.303 1.306 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.095 9.082 1.526 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.801 7.572 2.576 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.217 10.180 2.560 1.00 0.00 C ATOM 0 H ILE A 52 -8.625 8.941 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.354 6.685 0.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.182 9.012 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.313 8.389 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.778 9.519 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.913 8.290 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.748 7.058 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.034 6.843 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.259 10.690 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.976 10.895 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.504 9.747 3.518 1.00 0.00 H new ATOM 904 N ARG A 53 -11.620 7.045 -0.171 1.00 0.00 N ATOM 905 CA ARG A 53 -12.878 6.315 -0.268 1.00 0.00 C ATOM 906 C ARG A 53 -12.674 4.971 -0.962 1.00 0.00 C ATOM 907 O ARG A 53 -12.785 3.916 -0.339 1.00 0.00 O ATOM 908 CB ARG A 53 -13.915 7.142 -1.029 1.00 0.00 C ATOM 909 CG ARG A 53 -15.347 6.867 -0.600 1.00 0.00 C ATOM 910 CD ARG A 53 -16.313 7.873 -1.207 1.00 0.00 C ATOM 911 NE ARG A 53 -16.348 9.123 -0.452 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.136 10.146 -0.760 1.00 0.00 C ATOM 913 NH1 ARG A 53 -17.952 10.068 -1.803 1.00 0.00 N ATOM 914 NH2 ARG A 53 -17.111 11.250 -0.025 1.00 0.00 N ATOM 0 H ARG A 53 -11.706 8.053 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.242 6.131 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.699 8.201 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.819 6.938 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.632 5.859 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.416 6.905 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.021 8.080 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.313 7.441 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.733 9.215 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.975 9.221 -2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.557 10.855 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.486 11.314 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.717 12.035 -0.263 1.00 0.00 H new ATOM 928 N ASN A 54 -12.376 5.019 -2.257 1.00 0.00 N ATOM 929 CA ASN A 54 -12.158 3.806 -3.036 1.00 0.00 C ATOM 930 C ASN A 54 -11.076 2.939 -2.401 1.00 0.00 C ATOM 931 O ASN A 54 -11.366 1.894 -1.817 1.00 0.00 O ATOM 932 CB ASN A 54 -11.766 4.161 -4.472 1.00 0.00 C ATOM 933 CG ASN A 54 -12.933 4.707 -5.272 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.803 3.957 -5.714 1.00 0.00 O ATOM 935 ND2 ASN A 54 -12.956 6.022 -5.462 1.00 0.00 N ATOM 0 H ASN A 54 -12.280 5.884 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.090 3.240 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.964 4.899 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.372 3.274 -4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.716 6.447 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.213 6.606 -5.077 1.00 0.00 H new ATOM 942 N LEU A 55 -9.828 3.378 -2.520 1.00 0.00 N ATOM 943 CA LEU A 55 -8.701 2.643 -1.957 1.00 0.00 C ATOM 944 C LEU A 55 -9.095 1.956 -0.653 1.00 0.00 C ATOM 945 O LEU A 55 -8.605 0.872 -0.338 1.00 0.00 O ATOM 946 CB LEU A 55 -7.521 3.586 -1.713 1.00 0.00 C ATOM 947 CG LEU A 55 -6.802 4.098 -2.962 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.841 5.220 -2.602 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.064 2.962 -3.655 1.00 0.00 C ATOM 0 H LEU A 55 -9.571 4.240 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.404 1.878 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.880 4.445 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.794 3.071 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.548 4.494 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.338 5.572 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.395 6.043 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.099 4.851 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.558 3.344 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.328 2.536 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.776 2.191 -3.948 1.00 0.00 H new ATOM 961 N HIS A 56 -9.986 2.594 0.100 1.00 0.00 N ATOM 962 CA HIS A 56 -10.449 2.043 1.368 1.00 0.00 C ATOM 963 C HIS A 56 -10.946 0.612 1.190 1.00 0.00 C ATOM 964 O HIS A 56 -11.788 0.339 0.333 1.00 0.00 O ATOM 965 CB HIS A 56 -11.562 2.914 1.951 1.00 0.00 C ATOM 966 CG HIS A 56 -11.742 2.748 3.428 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.696 2.491 4.289 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.854 2.806 4.197 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.157 2.396 5.524 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.464 2.584 5.495 1.00 0.00 N ATOM 0 H HIS A 56 -10.401 3.493 -0.146 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.607 2.032 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.344 3.960 1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.500 2.674 1.450 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.861 2.992 3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.566 2.198 6.406 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.083 2.567 6.305 1.00 0.00 H new ATOM 978 N HIS A 57 -10.421 -0.298 2.004 1.00 0.00 N ATOM 979 CA HIS A 57 -10.812 -1.702 1.935 1.00 0.00 C ATOM 980 C HIS A 57 -10.656 -2.240 0.516 1.00 0.00 C ATOM 981 O HIS A 57 -11.405 -3.120 0.090 1.00 0.00 O ATOM 982 CB HIS A 57 -12.257 -1.874 2.403 1.00 0.00 C ATOM 983 CG HIS A 57 -12.386 -2.099 3.878 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.260 -3.013 4.426 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.744 -1.522 4.921 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.152 -2.989 5.743 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.238 -2.093 6.069 1.00 0.00 N ATOM 0 H HIS A 57 -9.724 -0.089 2.719 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.155 -2.270 2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.827 -0.987 2.128 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.703 -2.716 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.985 -0.756 4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.715 -3.598 6.435 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.946 -1.862 7.019 1.00 0.00 H new ATOM 995 N TYR A 58 -9.681 -1.707 -0.210 1.00 0.00 N ATOM 996 CA TYR A 58 -9.430 -2.132 -1.582 1.00 0.00 C ATOM 997 C TYR A 58 -8.741 -3.493 -1.614 1.00 0.00 C ATOM 998 O TYR A 58 -7.714 -3.698 -0.966 1.00 0.00 O ATOM 999 CB TYR A 58 -8.571 -1.096 -2.310 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.210 -1.494 -3.724 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -9.187 -1.601 -4.706 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -6.894 -1.764 -4.076 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -8.863 -1.965 -5.999 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -6.560 -2.127 -5.367 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.548 -2.226 -6.324 1.00 0.00 C ATOM 1006 OH TYR A 58 -7.220 -2.589 -7.611 1.00 0.00 O ATOM 0 H TYR A 58 -9.051 -0.980 0.128 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.391 -2.219 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.105 -0.146 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.655 -0.933 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.217 -1.396 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.118 -1.689 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.635 -2.045 -6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.531 -2.332 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.253 -2.736 -7.673 1.00 0.00 H new ATOM 1016 N LYS A 59 -9.313 -4.421 -2.373 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.756 -5.763 -2.493 1.00 0.00 C ATOM 1018 C LYS A 59 -7.472 -5.747 -3.317 1.00 0.00 C ATOM 1019 O LYS A 59 -7.497 -5.974 -4.527 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.776 -6.705 -3.136 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.490 -8.175 -2.881 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.661 -9.051 -3.296 1.00 0.00 C ATOM 1023 CE LYS A 59 -10.632 -10.395 -2.585 1.00 0.00 C ATOM 1024 NZ LYS A 59 -11.522 -11.390 -3.243 1.00 0.00 N ATOM 0 H LYS A 59 -10.163 -4.268 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.520 -6.123 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.769 -6.465 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.794 -6.528 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.598 -8.474 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.278 -8.327 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.597 -8.539 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.635 -9.208 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.611 -10.776 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.939 -10.264 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.474 -12.293 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.501 -11.039 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.214 -11.535 -4.226 1.00 0.00 H new ATOM 1038 N LEU A 60 -6.353 -5.479 -2.654 1.00 0.00 N ATOM 1039 CA LEU A 60 -5.058 -5.436 -3.326 1.00 0.00 C ATOM 1040 C LEU A 60 -4.221 -6.661 -2.974 1.00 0.00 C ATOM 1041 O LEU A 60 -4.197 -7.100 -1.823 1.00 0.00 O ATOM 1042 CB LEU A 60 -4.305 -4.162 -2.941 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.877 -4.039 -3.475 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.881 -3.953 -4.994 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -2.185 -2.825 -2.873 1.00 0.00 C ATOM 0 H LEU A 60 -6.315 -5.288 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.234 -5.436 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.878 -3.304 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.272 -4.098 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.322 -4.931 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.857 -3.866 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.337 -4.852 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.452 -3.079 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.170 -2.753 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.739 -1.923 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.149 -2.927 -1.788 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.533 -7.208 -3.971 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.692 -8.382 -3.766 1.00 0.00 C ATOM 1059 C HIS A 61 -3.405 -9.418 -2.902 1.00 0.00 C ATOM 1060 O HIS A 61 -2.772 -10.142 -2.135 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.369 -7.980 -3.113 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.316 -7.572 -4.097 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.118 -8.218 -5.299 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.600 -6.576 -4.051 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.875 -7.638 -5.950 1.00 0.00 C ATOM 1066 NE2 HIS A 61 1.328 -6.638 -5.214 1.00 0.00 N ATOM 0 H HIS A 61 -3.541 -6.857 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.488 -8.826 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.549 -7.155 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.997 -8.816 -2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.733 -5.865 -3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.252 -7.931 -6.919 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.094 -6.014 -5.468 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.727 -9.481 -3.031 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.504 -10.429 -2.255 1.00 0.00 C ATOM 1076 C GLY A 62 -5.517 -10.096 -0.777 1.00 0.00 C ATOM 1077 O GLY A 62 -5.510 -10.991 0.069 1.00 0.00 O ATOM 0 H GLY A 62 -5.273 -8.892 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.528 -10.447 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.095 -11.430 -2.395 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.536 -8.805 -0.463 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.549 -8.355 0.924 1.00 0.00 C ATOM 1083 C VAL A 63 -6.482 -7.163 1.106 1.00 0.00 C ATOM 1084 O VAL A 63 -6.897 -6.533 0.134 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.138 -7.967 1.402 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.689 -6.670 0.746 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.103 -7.847 2.918 1.00 0.00 C ATOM 0 H VAL A 63 -5.543 -8.052 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.910 -9.190 1.524 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.445 -8.754 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.690 -6.412 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.673 -6.796 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.383 -5.871 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.098 -7.572 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.808 -7.080 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.378 -8.802 3.365 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.806 -6.858 2.358 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.690 -5.740 2.668 1.00 0.00 C ATOM 1099 C ASN A 64 -6.933 -4.634 3.397 1.00 0.00 C ATOM 1100 O ASN A 64 -6.596 -4.770 4.573 1.00 0.00 O ATOM 1101 CB ASN A 64 -8.868 -6.215 3.522 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.444 -7.530 3.032 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.404 -8.539 3.736 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -9.983 -7.523 1.818 1.00 0.00 N ATOM 0 H ASN A 64 -6.470 -7.369 3.174 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.070 -5.338 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.542 -6.327 4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.649 -5.454 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.386 -8.378 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.994 -6.663 1.270 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.671 -3.540 2.690 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.955 -2.410 3.270 1.00 0.00 C ATOM 1113 C ILE A 65 -6.924 -1.392 3.862 1.00 0.00 C ATOM 1114 O ILE A 65 -8.058 -1.260 3.404 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.067 -1.709 2.224 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.932 -1.062 1.141 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.092 -2.701 1.609 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.213 0.014 0.357 1.00 0.00 C ATOM 0 H ILE A 65 -6.943 -3.412 1.715 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.322 -2.810 4.062 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.494 -0.926 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.276 -1.834 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.819 -0.631 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.471 -2.192 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.458 -3.120 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.647 -3.503 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.886 0.429 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.893 0.806 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.341 -0.416 -0.136 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.467 -0.672 4.882 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.293 0.336 5.536 1.00 0.00 C ATOM 1132 C ASN A 66 -6.745 1.737 5.281 1.00 0.00 C ATOM 1133 O ASN A 66 -5.574 2.015 5.540 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.362 0.070 7.041 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.069 -1.231 7.367 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.200 -1.460 6.939 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.402 -2.092 8.127 1.00 0.00 N ATOM 0 H ASN A 66 -5.530 -0.768 5.273 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.297 0.276 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.352 0.043 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.881 0.895 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.826 -2.985 8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.466 -1.860 8.460 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.601 2.617 4.771 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.204 3.990 4.481 1.00 0.00 C ATOM 1146 C VAL A 67 -7.971 4.979 5.352 1.00 0.00 C ATOM 1147 O VAL A 67 -9.202 4.991 5.357 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.436 4.341 2.999 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.860 5.712 2.679 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.830 3.275 2.099 1.00 0.00 C ATOM 0 H VAL A 67 -8.574 2.404 4.550 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.139 4.065 4.702 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.510 4.373 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.033 5.943 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.345 6.465 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.788 5.712 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.003 3.538 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.758 3.209 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.294 2.312 2.312 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.235 5.806 6.087 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.848 6.799 6.963 1.00 0.00 C ATOM 1162 C GLU A 68 -7.059 8.105 6.939 1.00 0.00 C ATOM 1163 O GLU A 68 -5.836 8.102 6.806 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.930 6.267 8.395 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.476 7.277 9.389 1.00 0.00 C ATOM 1166 CD GLU A 68 -9.008 6.626 10.651 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -10.202 6.259 10.671 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -8.231 6.482 11.618 1.00 0.00 O ATOM 0 H GLU A 68 -6.215 5.809 6.094 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.856 6.996 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.562 5.379 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.936 5.956 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.689 7.983 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.273 7.851 8.917 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.770 9.221 7.068 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.138 10.534 7.062 1.00 0.00 C ATOM 1177 C ALA A 69 -6.333 10.761 8.337 1.00 0.00 C ATOM 1178 O ALA A 69 -6.812 10.500 9.440 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.188 11.624 6.897 1.00 0.00 C ATOM 0 H ALA A 69 -8.784 9.241 7.178 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.451 10.576 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.702 12.600 6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.718 11.480 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.897 11.574 7.723 1.00 0.00 H new