USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ -173:sc= 0.928 (180deg=0.695) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.18 K(o=-1.2,f=-8.5!) USER MOD Single : A 60 GLN : amide:sc= -0.873! K(o=-0.87!,f=-3.4) USER MOD Single : A 62 ASN : amide:sc= -4.48! C(o=-4.5!,f=-4.4!) USER MOD Single : A 64 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.0034) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.095) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.573 4.156 7.492 1.00 0.00 N ATOM 86 CA GLU A 9 -9.941 4.396 8.779 1.00 0.00 C ATOM 87 C GLU A 9 -8.425 4.519 8.611 1.00 0.00 C ATOM 88 O GLU A 9 -7.716 3.515 8.587 1.00 0.00 O ATOM 89 CB GLU A 9 -10.294 3.292 9.777 1.00 0.00 C ATOM 90 CG GLU A 9 -9.125 3.015 10.725 1.00 0.00 C ATOM 91 CD GLU A 9 -9.621 2.444 12.055 1.00 0.00 C ATOM 92 OE1 GLU A 9 -9.890 1.224 12.084 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.719 3.241 13.013 1.00 0.00 O ATOM 0 HA GLU A 9 -10.320 5.337 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.172 3.585 10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.555 2.380 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.433 2.313 10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.572 3.937 10.905 1.00 0.00 H new ATOM 100 N LEU A 10 -7.974 5.760 8.499 1.00 0.00 N ATOM 101 CA LEU A 10 -6.555 6.028 8.334 1.00 0.00 C ATOM 102 C LEU A 10 -5.931 6.306 9.703 1.00 0.00 C ATOM 103 O LEU A 10 -6.212 7.333 10.320 1.00 0.00 O ATOM 104 CB LEU A 10 -6.337 7.151 7.319 1.00 0.00 C ATOM 105 CG LEU A 10 -7.007 6.963 5.956 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.649 8.108 5.006 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.665 5.596 5.361 1.00 0.00 C ATOM 0 H LEU A 10 -8.566 6.591 8.519 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.047 5.156 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.699 8.082 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.265 7.268 7.161 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.087 6.990 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.138 7.950 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.985 9.053 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.569 8.138 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.154 5.488 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.586 5.514 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.012 4.810 6.032 1.00 0.00 H new ATOM 119 N PHE A 11 -5.095 5.374 10.137 1.00 0.00 N ATOM 120 CA PHE A 11 -4.429 5.507 11.422 1.00 0.00 C ATOM 121 C PHE A 11 -2.927 5.248 11.289 1.00 0.00 C ATOM 122 O PHE A 11 -2.514 4.284 10.646 1.00 0.00 O ATOM 123 CB PHE A 11 -5.036 4.454 12.351 1.00 0.00 C ATOM 124 CG PHE A 11 -5.020 3.035 11.778 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.937 2.670 10.842 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.090 2.139 12.205 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.922 1.353 10.310 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.076 0.823 11.674 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.992 0.457 10.737 1.00 0.00 C ATOM 0 H PHE A 11 -4.864 4.524 9.622 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.564 6.517 11.809 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.491 4.460 13.295 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.066 4.733 12.576 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.676 3.381 10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.362 2.429 12.948 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.649 1.063 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.338 0.112 12.014 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.981 -0.544 10.333 1.00 0.00 H new ATOM 139 N PRO A 12 -2.130 6.149 11.924 1.00 0.00 N ATOM 140 CA PRO A 12 -0.683 6.027 11.883 1.00 0.00 C ATOM 141 C PRO A 12 -0.201 4.902 12.801 1.00 0.00 C ATOM 142 O PRO A 12 -0.641 4.797 13.945 1.00 0.00 O ATOM 143 CB PRO A 12 -0.161 7.394 12.296 1.00 0.00 C ATOM 144 CG PRO A 12 -1.318 8.087 12.997 1.00 0.00 C ATOM 145 CD PRO A 12 -2.584 7.302 12.695 1.00 0.00 C ATOM 0 HA PRO A 12 -0.312 5.755 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.698 7.300 12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.168 7.965 11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.143 8.130 14.072 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.414 9.115 12.649 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.086 6.993 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.296 7.902 12.128 1.00 0.00 H new ATOM 153 N VAL A 13 0.698 4.089 12.266 1.00 0.00 N ATOM 154 CA VAL A 13 1.244 2.975 13.023 1.00 0.00 C ATOM 155 C VAL A 13 2.772 3.060 13.016 1.00 0.00 C ATOM 156 O VAL A 13 3.392 3.068 11.954 1.00 0.00 O ATOM 157 CB VAL A 13 0.717 1.653 12.462 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.531 0.470 12.990 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.771 1.478 12.776 1.00 0.00 C ATOM 0 H VAL A 13 1.062 4.179 11.317 1.00 0.00 H new ATOM 0 HA VAL A 13 0.920 3.024 14.063 1.00 0.00 H new ATOM 0 HB VAL A 13 0.830 1.681 11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.136 -0.457 12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.574 0.584 12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.465 0.439 14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.120 0.530 12.366 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.918 1.482 13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.336 2.297 12.330 1.00 0.00 H new ATOM 169 N GLU A 14 3.334 3.122 14.214 1.00 0.00 N ATOM 170 CA GLU A 14 4.778 3.207 14.359 1.00 0.00 C ATOM 171 C GLU A 14 5.394 1.806 14.357 1.00 0.00 C ATOM 172 O GLU A 14 4.866 0.891 14.985 1.00 0.00 O ATOM 173 CB GLU A 14 5.157 3.970 15.630 1.00 0.00 C ATOM 174 CG GLU A 14 4.951 5.475 15.447 1.00 0.00 C ATOM 175 CD GLU A 14 4.019 6.036 16.522 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.135 5.567 17.675 1.00 0.00 O ATOM 177 OE2 GLU A 14 3.211 6.922 16.168 1.00 0.00 O ATOM 0 H GLU A 14 2.816 3.115 15.093 1.00 0.00 H new ATOM 0 HA GLU A 14 5.178 3.760 13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.553 3.615 16.465 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.198 3.770 15.882 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.913 5.985 15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.533 5.671 14.460 1.00 0.00 H new ATOM 184 N LEU A 15 6.503 1.684 13.642 1.00 0.00 N ATOM 185 CA LEU A 15 7.197 0.411 13.549 1.00 0.00 C ATOM 186 C LEU A 15 8.707 0.652 13.613 1.00 0.00 C ATOM 187 O LEU A 15 9.221 1.565 12.969 1.00 0.00 O ATOM 188 CB LEU A 15 6.749 -0.354 12.302 1.00 0.00 C ATOM 189 CG LEU A 15 5.884 -1.592 12.549 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.598 -2.330 11.241 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.523 -2.507 13.596 1.00 0.00 C ATOM 0 H LEU A 15 6.938 2.446 13.122 1.00 0.00 H new ATOM 0 HA LEU A 15 6.939 -0.226 14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.194 0.330 11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.637 -0.660 11.749 1.00 0.00 H new ATOM 0 HG LEU A 15 4.925 -1.265 12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.982 -3.206 11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.070 -1.666 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.538 -2.645 10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.888 -3.379 13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.504 -2.830 13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.633 -1.964 14.535 1.00 0.00 H new ATOM 203 N GLU A 16 9.374 -0.182 14.397 1.00 0.00 N ATOM 204 CA GLU A 16 10.815 -0.071 14.553 1.00 0.00 C ATOM 205 C GLU A 16 11.520 -1.194 13.790 1.00 0.00 C ATOM 206 O GLU A 16 11.505 -2.346 14.220 1.00 0.00 O ATOM 207 CB GLU A 16 11.208 -0.082 16.032 1.00 0.00 C ATOM 208 CG GLU A 16 11.636 1.312 16.496 1.00 0.00 C ATOM 209 CD GLU A 16 12.711 1.222 17.581 1.00 0.00 C ATOM 210 OE1 GLU A 16 12.338 0.872 18.721 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.881 1.506 17.246 1.00 0.00 O ATOM 0 H GLU A 16 8.944 -0.937 14.931 1.00 0.00 H new ATOM 0 HA GLU A 16 11.134 0.883 14.133 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.367 -0.427 16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.023 -0.788 16.190 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.017 1.881 15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.771 1.853 16.880 1.00 0.00 H new ATOM 218 N LYS A 17 12.120 -0.819 12.670 1.00 0.00 N ATOM 219 CA LYS A 17 12.830 -1.780 11.843 1.00 0.00 C ATOM 220 C LYS A 17 13.580 -2.765 12.742 1.00 0.00 C ATOM 221 O LYS A 17 13.863 -2.461 13.900 1.00 0.00 O ATOM 222 CB LYS A 17 13.728 -1.060 10.836 1.00 0.00 C ATOM 223 CG LYS A 17 12.904 -0.467 9.691 1.00 0.00 C ATOM 224 CD LYS A 17 13.803 0.246 8.679 1.00 0.00 C ATOM 225 CE LYS A 17 13.288 0.048 7.252 1.00 0.00 C ATOM 226 NZ LYS A 17 14.165 0.745 6.284 1.00 0.00 N ATOM 0 H LYS A 17 12.129 0.137 12.316 1.00 0.00 H new ATOM 0 HA LYS A 17 12.127 -2.363 11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.281 -0.267 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.464 -1.758 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.346 -1.259 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.172 0.235 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.844 1.310 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.821 -0.137 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.250 -1.016 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.270 0.429 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.739 0.702 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.275 1.739 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.097 0.284 6.266 1.00 0.00 H new ATOM 240 N ASP A 18 13.880 -3.924 12.175 1.00 0.00 N ATOM 241 CA ASP A 18 14.591 -4.955 12.911 1.00 0.00 C ATOM 242 C ASP A 18 15.802 -5.413 12.096 1.00 0.00 C ATOM 243 O ASP A 18 16.004 -4.962 10.970 1.00 0.00 O ATOM 244 CB ASP A 18 13.698 -6.173 13.156 1.00 0.00 C ATOM 245 CG ASP A 18 12.277 -5.849 13.621 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.984 -4.641 13.751 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.516 -6.818 13.835 1.00 0.00 O ATOM 0 H ASP A 18 13.644 -4.172 11.214 1.00 0.00 H new ATOM 0 HA ASP A 18 14.898 -4.535 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.640 -6.753 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.173 -6.809 13.903 1.00 0.00 H new ATOM 252 N GLU A 19 16.577 -6.304 12.697 1.00 0.00 N ATOM 253 CA GLU A 19 17.763 -6.828 12.042 1.00 0.00 C ATOM 254 C GLU A 19 17.482 -7.081 10.559 1.00 0.00 C ATOM 255 O GLU A 19 18.384 -6.986 9.728 1.00 0.00 O ATOM 256 CB GLU A 19 18.254 -8.102 12.732 1.00 0.00 C ATOM 257 CG GLU A 19 17.159 -9.171 12.752 1.00 0.00 C ATOM 258 CD GLU A 19 17.663 -10.484 12.150 1.00 0.00 C ATOM 259 OE1 GLU A 19 18.746 -10.930 12.587 1.00 0.00 O ATOM 260 OE2 GLU A 19 16.955 -11.012 11.266 1.00 0.00 O ATOM 0 H GLU A 19 16.406 -6.676 13.631 1.00 0.00 H new ATOM 0 HA GLU A 19 18.556 -6.084 12.120 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.132 -8.486 12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.562 -7.872 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.829 -9.340 13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.292 -8.819 12.192 1.00 0.00 H new ATOM 267 N ASP A 20 16.228 -7.397 10.273 1.00 0.00 N ATOM 268 CA ASP A 20 15.817 -7.664 8.905 1.00 0.00 C ATOM 269 C ASP A 20 14.737 -6.660 8.497 1.00 0.00 C ATOM 270 O ASP A 20 13.678 -7.047 8.005 1.00 0.00 O ATOM 271 CB ASP A 20 15.229 -9.070 8.771 1.00 0.00 C ATOM 272 CG ASP A 20 15.312 -9.674 7.368 1.00 0.00 C ATOM 273 OD1 ASP A 20 16.453 -9.831 6.884 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.231 -9.966 6.811 1.00 0.00 O ATOM 0 H ASP A 20 15.483 -7.474 10.965 1.00 0.00 H new ATOM 0 HA ASP A 20 16.696 -7.578 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.746 -9.732 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.183 -9.041 9.076 1.00 0.00 H new ATOM 279 N GLY A 21 15.042 -5.389 8.715 1.00 0.00 N ATOM 280 CA GLY A 21 14.111 -4.327 8.376 1.00 0.00 C ATOM 281 C GLY A 21 12.777 -4.514 9.102 1.00 0.00 C ATOM 282 O GLY A 21 12.744 -5.004 10.230 1.00 0.00 O ATOM 0 H GLY A 21 15.921 -5.071 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.542 -3.362 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.944 -4.315 7.299 1.00 0.00 H new ATOM 286 N LEU A 22 11.711 -4.113 8.427 1.00 0.00 N ATOM 287 CA LEU A 22 10.378 -4.230 8.994 1.00 0.00 C ATOM 288 C LEU A 22 9.981 -5.706 9.052 1.00 0.00 C ATOM 289 O LEU A 22 9.651 -6.222 10.118 1.00 0.00 O ATOM 290 CB LEU A 22 9.388 -3.356 8.220 1.00 0.00 C ATOM 291 CG LEU A 22 9.875 -1.953 7.854 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.437 -1.572 6.439 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.417 -0.926 8.892 1.00 0.00 C ATOM 0 H LEU A 22 11.743 -3.706 7.492 1.00 0.00 H new ATOM 0 HA LEU A 22 10.365 -3.856 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.116 -3.876 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.478 -3.260 8.813 1.00 0.00 H new ATOM 0 HG LEU A 22 10.965 -1.957 7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.796 -0.570 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.853 -2.283 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.349 -1.591 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.776 0.063 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.328 -0.917 8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.820 -1.192 9.869 1.00 0.00 H new ATOM 305 N GLY A 23 10.026 -6.344 7.891 1.00 0.00 N ATOM 306 CA GLY A 23 9.675 -7.751 7.797 1.00 0.00 C ATOM 307 C GLY A 23 8.228 -7.925 7.331 1.00 0.00 C ATOM 308 O GLY A 23 7.491 -8.744 7.876 1.00 0.00 O ATOM 0 H GLY A 23 10.300 -5.913 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.348 -8.252 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.808 -8.228 8.768 1.00 0.00 H new ATOM 312 N ILE A 24 7.865 -7.140 6.326 1.00 0.00 N ATOM 313 CA ILE A 24 6.519 -7.197 5.781 1.00 0.00 C ATOM 314 C ILE A 24 6.592 -7.165 4.253 1.00 0.00 C ATOM 315 O ILE A 24 7.554 -6.652 3.684 1.00 0.00 O ATOM 316 CB ILE A 24 5.651 -6.089 6.379 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.512 -4.927 6.878 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.739 -6.639 7.477 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.731 -3.612 6.846 1.00 0.00 C ATOM 0 H ILE A 24 8.479 -6.462 5.876 1.00 0.00 H new ATOM 0 HA ILE A 24 6.034 -8.133 6.058 1.00 0.00 H new ATOM 0 HB ILE A 24 5.007 -5.698 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.848 -5.130 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.405 -4.839 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.133 -5.830 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.087 -7.406 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.347 -7.073 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.366 -2.803 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.417 -3.400 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.852 -3.695 7.486 1.00 0.00 H new ATOM 331 N SER A 25 5.561 -7.719 3.632 1.00 0.00 N ATOM 332 CA SER A 25 5.495 -7.760 2.181 1.00 0.00 C ATOM 333 C SER A 25 4.376 -6.845 1.681 1.00 0.00 C ATOM 334 O SER A 25 3.351 -6.693 2.345 1.00 0.00 O ATOM 335 CB SER A 25 5.276 -9.189 1.679 1.00 0.00 C ATOM 336 OG SER A 25 6.176 -10.112 2.287 1.00 0.00 O ATOM 0 H SER A 25 4.764 -8.143 4.107 1.00 0.00 H new ATOM 0 HA SER A 25 6.448 -7.407 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.250 -9.493 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.404 -9.217 0.597 1.00 0.00 H new ATOM 0 HG SER A 25 6.003 -11.013 1.942 1.00 0.00 H new ATOM 342 N ILE A 26 4.609 -6.259 0.516 1.00 0.00 N ATOM 343 CA ILE A 26 3.632 -5.363 -0.079 1.00 0.00 C ATOM 344 C ILE A 26 3.212 -5.909 -1.445 1.00 0.00 C ATOM 345 O ILE A 26 3.721 -6.936 -1.890 1.00 0.00 O ATOM 346 CB ILE A 26 4.177 -3.934 -0.130 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.461 -3.865 -0.959 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.375 -3.372 1.280 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.485 -2.608 -1.830 1.00 0.00 C ATOM 0 H ILE A 26 5.460 -6.387 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 26 2.734 -5.316 0.537 1.00 0.00 H new ATOM 0 HB ILE A 26 3.439 -3.305 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.326 -3.869 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.539 -4.750 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.763 -2.355 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.420 -3.363 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.083 -3.997 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.408 -2.584 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.632 -2.619 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.432 -1.724 -1.195 1.00 0.00 H new ATOM 361 N ILE A 27 2.287 -5.197 -2.072 1.00 0.00 N ATOM 362 CA ILE A 27 1.792 -5.598 -3.378 1.00 0.00 C ATOM 363 C ILE A 27 1.266 -4.367 -4.119 1.00 0.00 C ATOM 364 O ILE A 27 0.689 -3.469 -3.508 1.00 0.00 O ATOM 365 CB ILE A 27 0.760 -6.719 -3.240 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.177 -6.755 -4.449 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.008 -6.597 -1.922 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.855 -8.120 -4.577 1.00 0.00 C ATOM 0 H ILE A 27 1.867 -4.345 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 27 2.600 -6.013 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 27 1.291 -7.671 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.934 -5.977 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.386 -6.538 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.735 -7.406 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.690 -6.660 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.526 -5.639 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.515 -8.118 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.096 -8.893 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.437 -8.323 -3.678 1.00 0.00 H new ATOM 380 N GLY A 28 1.485 -4.364 -5.426 1.00 0.00 N ATOM 381 CA GLY A 28 1.040 -3.258 -6.257 1.00 0.00 C ATOM 382 C GLY A 28 -0.265 -3.603 -6.977 1.00 0.00 C ATOM 383 O GLY A 28 -0.294 -4.495 -7.823 1.00 0.00 O ATOM 0 H GLY A 28 1.965 -5.110 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.896 -2.371 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.810 -3.016 -6.989 1.00 0.00 H new ATOM 387 N MET A 29 -1.313 -2.878 -6.614 1.00 0.00 N ATOM 388 CA MET A 29 -2.618 -3.096 -7.214 1.00 0.00 C ATOM 389 C MET A 29 -3.249 -1.772 -7.651 1.00 0.00 C ATOM 390 O MET A 29 -2.851 -0.707 -7.182 1.00 0.00 O ATOM 391 CB MET A 29 -3.535 -3.790 -6.205 1.00 0.00 C ATOM 392 CG MET A 29 -2.883 -5.061 -5.656 1.00 0.00 C ATOM 393 SD MET A 29 -3.648 -6.502 -6.382 1.00 0.00 S ATOM 394 CE MET A 29 -4.641 -7.053 -5.005 1.00 0.00 C ATOM 0 H MET A 29 -1.285 -2.139 -5.912 1.00 0.00 H new ATOM 0 HA MET A 29 -2.491 -3.725 -8.095 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.760 -3.109 -5.384 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.483 -4.040 -6.681 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.815 -5.056 -5.876 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.985 -5.093 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.190 -7.951 -5.288 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.994 -7.275 -4.156 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.346 -6.269 -4.728 1.00 0.00 H new ATOM 404 N GLY A 30 -4.221 -1.883 -8.544 1.00 0.00 N ATOM 405 CA GLY A 30 -4.911 -0.708 -9.049 1.00 0.00 C ATOM 406 C GLY A 30 -6.274 -0.541 -8.376 1.00 0.00 C ATOM 407 O GLY A 30 -7.163 -1.373 -8.551 1.00 0.00 O ATOM 0 H GLY A 30 -4.547 -2.769 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.303 0.179 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.042 -0.795 -10.128 1.00 0.00 H new ATOM 411 N VAL A 31 -6.397 0.540 -7.620 1.00 0.00 N ATOM 412 CA VAL A 31 -7.637 0.827 -6.919 1.00 0.00 C ATOM 413 C VAL A 31 -8.475 1.799 -7.752 1.00 0.00 C ATOM 414 O VAL A 31 -7.938 2.726 -8.358 1.00 0.00 O ATOM 415 CB VAL A 31 -7.335 1.351 -5.514 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.471 1.012 -4.546 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.998 0.809 -5.002 1.00 0.00 C ATOM 0 H VAL A 31 -5.658 1.228 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.224 -0.083 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.257 2.437 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.231 1.396 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.397 1.468 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.596 -0.070 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.807 1.197 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.036 -0.280 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.197 1.124 -5.672 1.00 0.00 H new ATOM 492 N GLU A 38 -6.427 5.899 -12.705 1.00 0.00 N ATOM 493 CA GLU A 38 -6.320 4.872 -11.683 1.00 0.00 C ATOM 494 C GLU A 38 -5.320 5.298 -10.605 1.00 0.00 C ATOM 495 O GLU A 38 -4.419 6.092 -10.868 1.00 0.00 O ATOM 496 CB GLU A 38 -5.924 3.528 -12.297 1.00 0.00 C ATOM 497 CG GLU A 38 -4.512 3.586 -12.883 1.00 0.00 C ATOM 498 CD GLU A 38 -4.160 2.279 -13.595 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.628 1.382 -12.905 1.00 0.00 O ATOM 500 OE2 GLU A 38 -4.429 2.205 -14.813 1.00 0.00 O ATOM 0 HA GLU A 38 -7.297 4.748 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.974 2.748 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.635 3.258 -13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.439 4.417 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.792 3.776 -12.087 1.00 0.00 H new ATOM 507 N LYS A 39 -5.514 4.750 -9.414 1.00 0.00 N ATOM 508 CA LYS A 39 -4.641 5.063 -8.296 1.00 0.00 C ATOM 509 C LYS A 39 -4.120 3.762 -7.681 1.00 0.00 C ATOM 510 O LYS A 39 -4.800 3.141 -6.865 1.00 0.00 O ATOM 511 CB LYS A 39 -5.357 5.972 -7.295 1.00 0.00 C ATOM 512 CG LYS A 39 -5.295 7.435 -7.741 1.00 0.00 C ATOM 513 CD LYS A 39 -4.609 8.302 -6.684 1.00 0.00 C ATOM 514 CE LYS A 39 -5.202 9.712 -6.662 1.00 0.00 C ATOM 515 NZ LYS A 39 -5.168 10.267 -5.291 1.00 0.00 N ATOM 0 H LYS A 39 -6.263 4.091 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.772 5.625 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.397 5.662 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.899 5.868 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.754 7.509 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.304 7.807 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.721 7.841 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.540 8.356 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.642 10.359 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.229 9.687 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.574 11.224 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.722 9.658 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.184 10.310 -4.958 1.00 0.00 H new ATOM 529 N LEU A 40 -2.919 3.388 -8.097 1.00 0.00 N ATOM 530 CA LEU A 40 -2.299 2.173 -7.597 1.00 0.00 C ATOM 531 C LEU A 40 -2.290 2.201 -6.068 1.00 0.00 C ATOM 532 O LEU A 40 -1.798 3.153 -5.464 1.00 0.00 O ATOM 533 CB LEU A 40 -0.913 1.984 -8.217 1.00 0.00 C ATOM 534 CG LEU A 40 -0.509 0.542 -8.530 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.380 -0.042 -9.643 1.00 0.00 C ATOM 536 CD2 LEU A 40 0.982 0.451 -8.862 1.00 0.00 C ATOM 0 H LEU A 40 -2.359 3.905 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.878 1.300 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.868 2.561 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.173 2.409 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.678 -0.062 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.072 -1.068 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.424 -0.032 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.265 0.557 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.244 -0.584 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.200 1.072 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.566 0.801 -8.011 1.00 0.00 H new ATOM 548 N GLY A 41 -2.840 1.146 -5.485 1.00 0.00 N ATOM 549 CA GLY A 41 -2.902 1.038 -4.037 1.00 0.00 C ATOM 550 C GLY A 41 -1.910 -0.007 -3.523 1.00 0.00 C ATOM 551 O GLY A 41 -1.970 -1.171 -3.915 1.00 0.00 O ATOM 0 H GLY A 41 -3.247 0.358 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.682 2.006 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.913 0.767 -3.732 1.00 0.00 H new ATOM 555 N ILE A 42 -1.020 0.447 -2.652 1.00 0.00 N ATOM 556 CA ILE A 42 -0.016 -0.434 -2.080 1.00 0.00 C ATOM 557 C ILE A 42 -0.619 -1.180 -0.888 1.00 0.00 C ATOM 558 O ILE A 42 -0.971 -0.567 0.119 1.00 0.00 O ATOM 559 CB ILE A 42 1.252 0.350 -1.737 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.627 1.309 -2.869 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.402 -0.595 -1.382 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.951 0.541 -4.152 1.00 0.00 C ATOM 0 H ILE A 42 -0.974 1.413 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 42 0.289 -1.187 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 42 1.050 0.957 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.805 2.000 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.488 1.909 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.291 -0.012 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.122 -1.201 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.613 -1.246 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.214 1.245 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.789 -0.132 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.080 -0.039 -4.459 1.00 0.00 H new ATOM 574 N PHE A 43 -0.720 -2.492 -1.041 1.00 0.00 N ATOM 575 CA PHE A 43 -1.274 -3.328 0.010 1.00 0.00 C ATOM 576 C PHE A 43 -0.212 -4.275 0.574 1.00 0.00 C ATOM 577 O PHE A 43 0.835 -4.475 -0.039 1.00 0.00 O ATOM 578 CB PHE A 43 -2.395 -4.156 -0.621 1.00 0.00 C ATOM 579 CG PHE A 43 -3.537 -3.318 -1.200 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.473 -2.879 -2.485 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.615 -3.013 -0.429 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.533 -2.101 -3.023 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.674 -2.236 -0.967 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.611 -1.796 -2.252 1.00 0.00 C ATOM 0 H PHE A 43 -0.427 -2.997 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.639 -2.706 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.974 -4.775 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.800 -4.833 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.617 -3.122 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.665 -3.362 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.483 -1.752 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.531 -1.994 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.417 -1.204 -2.660 1.00 0.00 H new ATOM 594 N VAL A 44 -0.520 -4.832 1.736 1.00 0.00 N ATOM 595 CA VAL A 44 0.394 -5.753 2.390 1.00 0.00 C ATOM 596 C VAL A 44 0.106 -7.177 1.911 1.00 0.00 C ATOM 597 O VAL A 44 -0.880 -7.787 2.323 1.00 0.00 O ATOM 598 CB VAL A 44 0.293 -5.601 3.909 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.873 -6.825 4.622 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.978 -4.317 4.379 1.00 0.00 C ATOM 0 H VAL A 44 -1.390 -4.663 2.241 1.00 0.00 H new ATOM 0 HA VAL A 44 1.425 -5.522 2.122 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.763 -5.531 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.789 -6.692 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.321 -7.716 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.923 -6.940 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.891 -4.234 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.031 -4.344 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.500 -3.457 3.910 1.00 0.00 H new ATOM 610 N LYS A 45 0.984 -7.666 1.048 1.00 0.00 N ATOM 611 CA LYS A 45 0.837 -9.007 0.508 1.00 0.00 C ATOM 612 C LYS A 45 0.763 -10.011 1.661 1.00 0.00 C ATOM 613 O LYS A 45 -0.095 -10.892 1.667 1.00 0.00 O ATOM 614 CB LYS A 45 1.950 -9.306 -0.498 1.00 0.00 C ATOM 615 CG LYS A 45 1.764 -10.688 -1.128 1.00 0.00 C ATOM 616 CD LYS A 45 2.092 -10.658 -2.622 1.00 0.00 C ATOM 617 CE LYS A 45 2.549 -12.034 -3.111 1.00 0.00 C ATOM 618 NZ LYS A 45 3.400 -11.900 -4.314 1.00 0.00 N ATOM 0 H LYS A 45 1.800 -7.157 0.709 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.095 -9.092 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.954 -8.545 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.918 -9.257 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.407 -11.410 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.736 -11.022 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.214 -10.342 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.874 -9.923 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.103 -12.542 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.681 -12.652 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.701 -12.843 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.860 -11.435 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.238 -11.328 -4.085 1.00 0.00 H new ATOM 632 N THR A 46 1.675 -9.843 2.608 1.00 0.00 N ATOM 633 CA THR A 46 1.724 -10.724 3.763 1.00 0.00 C ATOM 634 C THR A 46 2.696 -10.176 4.809 1.00 0.00 C ATOM 635 O THR A 46 3.415 -9.212 4.550 1.00 0.00 O ATOM 636 CB THR A 46 2.086 -12.127 3.273 1.00 0.00 C ATOM 637 OG1 THR A 46 2.332 -12.860 4.469 1.00 0.00 O ATOM 638 CG2 THR A 46 3.426 -12.161 2.533 1.00 0.00 C ATOM 0 H THR A 46 2.385 -9.111 2.599 1.00 0.00 H new ATOM 0 HA THR A 46 0.756 -10.778 4.261 1.00 0.00 H new ATOM 0 HB THR A 46 1.299 -12.496 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.572 -13.783 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.636 -13.180 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.379 -11.504 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.219 -11.824 3.201 1.00 0.00 H new ATOM 646 N VAL A 47 2.686 -10.814 5.971 1.00 0.00 N ATOM 647 CA VAL A 47 3.558 -10.403 7.058 1.00 0.00 C ATOM 648 C VAL A 47 4.425 -11.588 7.487 1.00 0.00 C ATOM 649 O VAL A 47 3.905 -12.635 7.870 1.00 0.00 O ATOM 650 CB VAL A 47 2.727 -9.823 8.204 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.607 -9.515 9.418 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.961 -8.579 7.752 1.00 0.00 C ATOM 0 H VAL A 47 2.088 -11.612 6.183 1.00 0.00 H new ATOM 0 HA VAL A 47 4.231 -9.611 6.730 1.00 0.00 H new ATOM 0 HB VAL A 47 1.997 -10.575 8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.992 -9.104 10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.085 -10.432 9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.371 -8.790 9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.379 -8.187 8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.667 -7.820 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.291 -8.842 6.933 1.00 0.00 H new ATOM 662 N THR A 48 5.732 -11.383 7.409 1.00 0.00 N ATOM 663 CA THR A 48 6.676 -12.422 7.785 1.00 0.00 C ATOM 664 C THR A 48 6.343 -12.968 9.175 1.00 0.00 C ATOM 665 O THR A 48 5.936 -12.216 10.060 1.00 0.00 O ATOM 666 CB THR A 48 8.086 -11.839 7.683 1.00 0.00 C ATOM 667 OG1 THR A 48 8.384 -11.890 6.291 1.00 0.00 O ATOM 668 CG2 THR A 48 9.142 -12.743 8.323 1.00 0.00 C ATOM 0 H THR A 48 6.159 -10.513 7.091 1.00 0.00 H new ATOM 0 HA THR A 48 6.613 -13.276 7.111 1.00 0.00 H new ATOM 0 HB THR A 48 8.108 -10.860 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.281 -11.529 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.125 -12.282 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.912 -12.880 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.143 -13.712 7.823 1.00 0.00 H new ATOM 676 N GLU A 49 6.528 -14.271 9.324 1.00 0.00 N ATOM 677 CA GLU A 49 6.252 -14.927 10.591 1.00 0.00 C ATOM 678 C GLU A 49 7.285 -14.509 11.640 1.00 0.00 C ATOM 679 O GLU A 49 8.416 -14.992 11.629 1.00 0.00 O ATOM 680 CB GLU A 49 6.221 -16.447 10.427 1.00 0.00 C ATOM 681 CG GLU A 49 5.458 -17.108 11.577 1.00 0.00 C ATOM 682 CD GLU A 49 5.612 -18.629 11.535 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.775 -19.080 11.455 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.563 -19.307 11.583 1.00 0.00 O ATOM 0 H GLU A 49 6.866 -14.891 8.588 1.00 0.00 H new ATOM 0 HA GLU A 49 5.266 -14.612 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.750 -16.704 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.240 -16.833 10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.828 -16.728 12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.402 -16.844 11.517 1.00 0.00 H new ATOM 691 N GLY A 50 6.858 -13.617 12.522 1.00 0.00 N ATOM 692 CA GLY A 50 7.732 -13.130 13.575 1.00 0.00 C ATOM 693 C GLY A 50 8.414 -11.824 13.162 1.00 0.00 C ATOM 694 O GLY A 50 9.385 -11.402 13.787 1.00 0.00 O ATOM 0 H GLY A 50 5.919 -13.219 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.156 -12.971 14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.487 -13.882 13.803 1.00 0.00 H new ATOM 698 N GLY A 51 7.879 -11.221 12.111 1.00 0.00 N ATOM 699 CA GLY A 51 8.424 -9.972 11.606 1.00 0.00 C ATOM 700 C GLY A 51 8.151 -8.823 12.578 1.00 0.00 C ATOM 701 O GLY A 51 7.496 -9.013 13.602 1.00 0.00 O ATOM 0 H GLY A 51 7.073 -11.574 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.498 -10.076 11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.983 -9.745 10.635 1.00 0.00 H new ATOM 705 N ALA A 52 8.666 -7.655 12.223 1.00 0.00 N ATOM 706 CA ALA A 52 8.486 -6.475 13.051 1.00 0.00 C ATOM 707 C ALA A 52 7.018 -6.048 13.011 1.00 0.00 C ATOM 708 O ALA A 52 6.467 -5.609 14.019 1.00 0.00 O ATOM 709 CB ALA A 52 9.429 -5.368 12.574 1.00 0.00 C ATOM 0 H ALA A 52 9.208 -7.501 11.373 1.00 0.00 H new ATOM 0 HA ALA A 52 8.737 -6.693 14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.294 -4.482 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.461 -5.711 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.205 -5.121 11.536 1.00 0.00 H new ATOM 715 N ALA A 53 6.425 -6.191 11.834 1.00 0.00 N ATOM 716 CA ALA A 53 5.031 -5.825 11.649 1.00 0.00 C ATOM 717 C ALA A 53 4.139 -6.928 12.223 1.00 0.00 C ATOM 718 O ALA A 53 2.991 -6.676 12.586 1.00 0.00 O ATOM 719 CB ALA A 53 4.762 -5.571 10.165 1.00 0.00 C ATOM 0 H ALA A 53 6.885 -6.555 11.000 1.00 0.00 H new ATOM 0 HA ALA A 53 4.802 -4.903 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.716 -5.297 10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.400 -4.760 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.978 -6.475 9.596 1.00 0.00 H new ATOM 725 N GLN A 54 4.700 -8.126 12.287 1.00 0.00 N ATOM 726 CA GLN A 54 3.970 -9.268 12.810 1.00 0.00 C ATOM 727 C GLN A 54 3.798 -9.139 14.325 1.00 0.00 C ATOM 728 O GLN A 54 2.675 -9.067 14.822 1.00 0.00 O ATOM 729 CB GLN A 54 4.669 -10.579 12.448 1.00 0.00 C ATOM 730 CG GLN A 54 3.692 -11.755 12.501 1.00 0.00 C ATOM 731 CD GLN A 54 3.740 -12.447 13.864 1.00 0.00 C ATOM 732 OE1 GLN A 54 4.054 -11.851 14.881 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.411 -13.735 13.829 1.00 0.00 N ATOM 0 H GLN A 54 5.652 -8.331 11.985 1.00 0.00 H new ATOM 0 HA GLN A 54 2.981 -9.283 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.098 -10.503 11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.495 -10.757 13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.680 -11.401 12.305 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.937 -12.471 11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.158 -14.173 12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.412 -14.285 14.688 1.00 0.00 H new ATOM 742 N ARG A 55 4.928 -9.113 15.017 1.00 0.00 N ATOM 743 CA ARG A 55 4.916 -8.994 16.465 1.00 0.00 C ATOM 744 C ARG A 55 4.075 -7.789 16.892 1.00 0.00 C ATOM 745 O ARG A 55 3.349 -7.854 17.883 1.00 0.00 O ATOM 746 CB ARG A 55 6.335 -8.838 17.016 1.00 0.00 C ATOM 747 CG ARG A 55 7.148 -10.117 16.807 1.00 0.00 C ATOM 748 CD ARG A 55 8.488 -10.041 17.542 1.00 0.00 C ATOM 749 NE ARG A 55 9.448 -9.230 16.762 1.00 0.00 N ATOM 750 CZ ARG A 55 9.545 -7.896 16.845 1.00 0.00 C ATOM 751 NH1 ARG A 55 8.742 -7.215 17.674 1.00 0.00 N ATOM 752 NH2 ARG A 55 10.446 -7.242 16.099 1.00 0.00 N ATOM 0 H ARG A 55 5.858 -9.172 14.602 1.00 0.00 H new ATOM 0 HA ARG A 55 4.479 -9.907 16.869 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.831 -8.003 16.522 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.292 -8.600 18.079 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.580 -10.976 17.166 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.321 -10.272 15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.346 -9.601 18.529 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.886 -11.044 17.694 1.00 0.00 H new ATOM 0 HE ARG A 55 10.075 -9.716 16.121 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.056 -7.712 18.242 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.817 -6.200 17.737 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.058 -7.760 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.520 -6.227 16.162 1.00 0.00 H new ATOM 766 N ASP A 56 4.201 -6.718 16.123 1.00 0.00 N ATOM 767 CA ASP A 56 3.462 -5.500 16.409 1.00 0.00 C ATOM 768 C ASP A 56 1.994 -5.848 16.663 1.00 0.00 C ATOM 769 O ASP A 56 1.437 -5.489 17.699 1.00 0.00 O ATOM 770 CB ASP A 56 3.520 -4.530 15.228 1.00 0.00 C ATOM 771 CG ASP A 56 3.291 -3.060 15.586 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.881 -2.815 16.741 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.530 -2.215 14.697 1.00 0.00 O ATOM 0 H ASP A 56 4.804 -6.668 15.302 1.00 0.00 H new ATOM 0 HA ASP A 56 3.912 -5.030 17.284 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.494 -4.624 14.748 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.772 -4.830 14.494 1.00 0.00 H new ATOM 778 N GLY A 57 1.408 -6.544 15.699 1.00 0.00 N ATOM 779 CA GLY A 57 0.015 -6.944 15.805 1.00 0.00 C ATOM 780 C GLY A 57 -0.909 -5.870 15.228 1.00 0.00 C ATOM 781 O GLY A 57 -2.119 -6.073 15.132 1.00 0.00 O ATOM 0 H GLY A 57 1.873 -6.841 14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.139 -7.884 15.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.237 -7.123 16.850 1.00 0.00 H new ATOM 785 N ARG A 58 -0.305 -4.750 14.858 1.00 0.00 N ATOM 786 CA ARG A 58 -1.059 -3.645 14.293 1.00 0.00 C ATOM 787 C ARG A 58 -1.279 -3.863 12.794 1.00 0.00 C ATOM 788 O ARG A 58 -2.408 -4.073 12.353 1.00 0.00 O ATOM 789 CB ARG A 58 -0.331 -2.316 14.506 1.00 0.00 C ATOM 790 CG ARG A 58 -1.061 -1.449 15.533 1.00 0.00 C ATOM 791 CD ARG A 58 -2.568 -1.432 15.265 1.00 0.00 C ATOM 792 NE ARG A 58 -2.824 -1.564 13.813 1.00 0.00 N ATOM 793 CZ ARG A 58 -3.998 -1.944 13.290 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.029 -2.232 14.095 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.140 -2.036 11.960 1.00 0.00 N ATOM 0 H ARG A 58 0.698 -4.585 14.939 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.022 -3.606 14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.688 -2.506 14.844 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.259 -1.781 13.559 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.871 -1.830 16.536 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.670 -0.432 15.499 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.051 -2.247 15.804 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.002 -0.504 15.636 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.060 -1.353 13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.921 -2.162 15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.922 -2.521 13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.355 -1.817 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.033 -2.325 11.561 1.00 0.00 H new ATOM 809 N ILE A 59 -0.182 -3.807 12.053 1.00 0.00 N ATOM 810 CA ILE A 59 -0.241 -3.996 10.614 1.00 0.00 C ATOM 811 C ILE A 59 -0.620 -5.447 10.310 1.00 0.00 C ATOM 812 O ILE A 59 -0.006 -6.375 10.833 1.00 0.00 O ATOM 813 CB ILE A 59 1.070 -3.553 9.961 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.191 -2.027 9.955 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.210 -4.144 8.557 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.635 -1.591 10.211 1.00 0.00 C ATOM 0 H ILE A 59 0.753 -3.633 12.422 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.016 -3.365 10.178 1.00 0.00 H new ATOM 0 HB ILE A 59 1.897 -3.940 10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.854 -1.636 8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.539 -1.604 10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.150 -3.814 8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.200 -5.232 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.380 -3.808 7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.694 -0.503 10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.961 -1.964 11.182 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.281 -1.996 9.432 1.00 0.00 H new ATOM 828 N GLN A 60 -1.629 -5.597 9.464 1.00 0.00 N ATOM 829 CA GLN A 60 -2.097 -6.919 9.084 1.00 0.00 C ATOM 830 C GLN A 60 -1.864 -7.155 7.590 1.00 0.00 C ATOM 831 O GLN A 60 -1.384 -6.268 6.885 1.00 0.00 O ATOM 832 CB GLN A 60 -3.572 -7.103 9.445 1.00 0.00 C ATOM 833 CG GLN A 60 -3.933 -6.307 10.700 1.00 0.00 C ATOM 834 CD GLN A 60 -3.350 -6.964 11.953 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.837 -8.070 11.924 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.458 -6.223 13.052 1.00 0.00 N ATOM 0 H GLN A 60 -2.135 -4.825 9.031 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.525 -7.660 9.642 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.197 -6.779 8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.781 -8.160 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.555 -5.288 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.017 -6.238 10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.899 -5.304 13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.100 -6.573 13.940 1.00 0.00 H new ATOM 845 N VAL A 61 -2.217 -8.354 7.151 1.00 0.00 N ATOM 846 CA VAL A 61 -2.052 -8.718 5.754 1.00 0.00 C ATOM 847 C VAL A 61 -3.247 -8.197 4.952 1.00 0.00 C ATOM 848 O VAL A 61 -4.367 -8.150 5.460 1.00 0.00 O ATOM 849 CB VAL A 61 -1.860 -10.230 5.626 1.00 0.00 C ATOM 850 CG1 VAL A 61 -1.903 -10.666 4.160 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.556 -10.675 6.292 1.00 0.00 C ATOM 0 H VAL A 61 -2.617 -9.086 7.738 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.156 -8.254 5.342 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.685 -10.718 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.764 -11.745 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.868 -10.399 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.108 -10.165 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.444 -11.754 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.286 -10.174 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.580 -10.414 7.350 1.00 0.00 H new ATOM 861 N ASN A 62 -2.969 -7.820 3.713 1.00 0.00 N ATOM 862 CA ASN A 62 -4.007 -7.305 2.836 1.00 0.00 C ATOM 863 C ASN A 62 -4.317 -5.856 3.216 1.00 0.00 C ATOM 864 O ASN A 62 -5.291 -5.280 2.736 1.00 0.00 O ATOM 865 CB ASN A 62 -5.297 -8.116 2.975 1.00 0.00 C ATOM 866 CG ASN A 62 -5.000 -9.617 3.012 1.00 0.00 C ATOM 867 OD1 ASN A 62 -4.675 -10.237 2.013 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.130 -10.164 4.218 1.00 0.00 N ATOM 0 H ASN A 62 -2.039 -7.861 3.295 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.646 -7.373 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.819 -7.822 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.962 -7.894 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.954 -11.160 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.405 -9.587 5.013 1.00 0.00 H new ATOM 875 N ASP A 63 -3.469 -5.309 4.074 1.00 0.00 N ATOM 876 CA ASP A 63 -3.639 -3.938 4.524 1.00 0.00 C ATOM 877 C ASP A 63 -3.311 -2.984 3.374 1.00 0.00 C ATOM 878 O ASP A 63 -2.889 -3.418 2.303 1.00 0.00 O ATOM 879 CB ASP A 63 -2.698 -3.618 5.686 1.00 0.00 C ATOM 880 CG ASP A 63 -1.610 -2.588 5.373 1.00 0.00 C ATOM 881 OD1 ASP A 63 -1.004 -2.715 4.288 1.00 0.00 O ATOM 882 OD2 ASP A 63 -1.410 -1.697 6.227 1.00 0.00 O ATOM 0 H ASP A 63 -2.662 -5.791 4.470 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.671 -3.817 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.291 -3.254 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.220 -4.542 6.011 1.00 0.00 H new ATOM 887 N GLN A 64 -3.519 -1.701 3.633 1.00 0.00 N ATOM 888 CA GLN A 64 -3.250 -0.682 2.633 1.00 0.00 C ATOM 889 C GLN A 64 -2.416 0.449 3.238 1.00 0.00 C ATOM 890 O GLN A 64 -2.889 1.177 4.109 1.00 0.00 O ATOM 891 CB GLN A 64 -4.552 -0.144 2.036 1.00 0.00 C ATOM 892 CG GLN A 64 -4.273 0.742 0.820 1.00 0.00 C ATOM 893 CD GLN A 64 -5.360 1.805 0.654 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.431 1.730 1.235 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.027 2.796 -0.168 1.00 0.00 N ATOM 0 H GLN A 64 -3.871 -1.344 4.521 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.677 -1.136 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.194 -0.976 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.093 0.427 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.302 1.224 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.221 0.127 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.114 2.797 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.685 3.555 -0.345 1.00 0.00 H new ATOM 904 N ILE A 65 -1.189 0.561 2.752 1.00 0.00 N ATOM 905 CA ILE A 65 -0.284 1.591 3.234 1.00 0.00 C ATOM 906 C ILE A 65 -0.557 2.895 2.482 1.00 0.00 C ATOM 907 O ILE A 65 0.077 3.175 1.466 1.00 0.00 O ATOM 908 CB ILE A 65 1.168 1.117 3.136 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.368 -0.195 3.896 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.133 2.206 3.609 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.392 -1.087 3.191 1.00 0.00 C ATOM 0 H ILE A 65 -0.800 -0.044 2.029 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.460 1.789 4.291 1.00 0.00 H new ATOM 0 HB ILE A 65 1.393 0.920 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.703 0.016 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.417 -0.721 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.158 1.844 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.013 3.094 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.917 2.458 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.515 -2.013 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.043 -1.316 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.349 -0.568 3.134 1.00 0.00 H new ATOM 923 N VAL A 66 -1.500 3.660 3.012 1.00 0.00 N ATOM 924 CA VAL A 66 -1.865 4.928 2.404 1.00 0.00 C ATOM 925 C VAL A 66 -0.678 5.890 2.491 1.00 0.00 C ATOM 926 O VAL A 66 -0.409 6.636 1.551 1.00 0.00 O ATOM 927 CB VAL A 66 -3.131 5.480 3.063 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.577 6.780 2.391 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.254 4.441 3.048 1.00 0.00 C ATOM 0 H VAL A 66 -2.022 3.426 3.856 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.098 4.792 1.348 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.897 5.705 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.479 7.151 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.785 7.524 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.785 6.592 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.142 4.858 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.486 4.171 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.935 3.553 3.593 1.00 0.00 H new ATOM 939 N GLU A 67 0.000 5.841 3.628 1.00 0.00 N ATOM 940 CA GLU A 67 1.152 6.699 3.850 1.00 0.00 C ATOM 941 C GLU A 67 2.215 5.960 4.665 1.00 0.00 C ATOM 942 O GLU A 67 1.906 5.002 5.371 1.00 0.00 O ATOM 943 CB GLU A 67 0.741 8.002 4.538 1.00 0.00 C ATOM 944 CG GLU A 67 1.926 8.631 5.274 1.00 0.00 C ATOM 945 CD GLU A 67 1.500 9.901 6.013 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.120 10.865 5.313 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.565 9.880 7.261 1.00 0.00 O ATOM 0 H GLU A 67 -0.226 5.221 4.406 1.00 0.00 H new ATOM 0 HA GLU A 67 1.580 6.958 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.355 8.702 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.067 7.806 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.340 7.915 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.717 8.868 4.562 1.00 0.00 H new ATOM 954 N VAL A 68 3.446 6.433 4.540 1.00 0.00 N ATOM 955 CA VAL A 68 4.557 5.830 5.256 1.00 0.00 C ATOM 956 C VAL A 68 5.526 6.926 5.703 1.00 0.00 C ATOM 957 O VAL A 68 6.093 7.634 4.872 1.00 0.00 O ATOM 958 CB VAL A 68 5.222 4.761 4.386 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.733 4.987 4.300 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.905 3.357 4.904 1.00 0.00 C ATOM 0 H VAL A 68 3.699 7.228 3.953 1.00 0.00 H new ATOM 0 HA VAL A 68 4.203 5.324 6.154 1.00 0.00 H new ATOM 0 HB VAL A 68 4.813 4.846 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.182 4.214 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.930 5.966 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.165 4.942 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.390 2.616 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.272 3.254 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.827 3.198 4.889 1.00 0.00 H new ATOM 970 N ASP A 69 5.687 7.031 7.014 1.00 0.00 N ATOM 971 CA ASP A 69 6.578 8.029 7.581 1.00 0.00 C ATOM 972 C ASP A 69 6.224 9.405 7.013 1.00 0.00 C ATOM 973 O ASP A 69 7.052 10.314 7.018 1.00 0.00 O ATOM 974 CB ASP A 69 8.036 7.731 7.224 1.00 0.00 C ATOM 975 CG ASP A 69 8.919 7.318 8.404 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.343 7.083 9.488 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.149 7.247 8.194 1.00 0.00 O ATOM 0 H ASP A 69 5.215 6.441 7.700 1.00 0.00 H new ATOM 0 HA ASP A 69 6.460 8.010 8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.057 6.936 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.469 8.616 6.758 1.00 0.00 H new ATOM 982 N GLY A 70 4.992 9.513 6.536 1.00 0.00 N ATOM 983 CA GLY A 70 4.518 10.763 5.966 1.00 0.00 C ATOM 984 C GLY A 70 4.403 10.662 4.443 1.00 0.00 C ATOM 985 O GLY A 70 3.593 11.355 3.831 1.00 0.00 O ATOM 0 H GLY A 70 4.308 8.756 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.547 11.016 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.202 11.570 6.230 1.00 0.00 H new ATOM 989 N ILE A 71 5.227 9.793 3.876 1.00 0.00 N ATOM 990 CA ILE A 71 5.229 9.592 2.437 1.00 0.00 C ATOM 991 C ILE A 71 3.895 8.974 2.012 1.00 0.00 C ATOM 992 O ILE A 71 3.399 8.053 2.659 1.00 0.00 O ATOM 993 CB ILE A 71 6.449 8.774 2.011 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.740 9.573 2.204 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.297 8.268 0.575 1.00 0.00 C ATOM 996 CD1 ILE A 71 8.965 8.729 1.847 1.00 0.00 C ATOM 0 H ILE A 71 5.898 9.220 4.387 1.00 0.00 H new ATOM 0 HA ILE A 71 5.319 10.547 1.919 1.00 0.00 H new ATOM 0 HB ILE A 71 6.514 7.897 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.715 10.467 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.814 9.908 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.178 7.690 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.411 7.637 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.193 9.117 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.869 9.320 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.000 7.849 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.900 8.416 0.805 1.00 0.00 H new ATOM 1008 N SER A 72 3.353 9.506 0.926 1.00 0.00 N ATOM 1009 CA SER A 72 2.087 9.018 0.406 1.00 0.00 C ATOM 1010 C SER A 72 2.334 7.917 -0.626 1.00 0.00 C ATOM 1011 O SER A 72 2.911 8.169 -1.682 1.00 0.00 O ATOM 1012 CB SER A 72 1.272 10.155 -0.215 1.00 0.00 C ATOM 1013 OG SER A 72 0.242 9.667 -1.071 1.00 0.00 O ATOM 0 H SER A 72 3.767 10.270 0.392 1.00 0.00 H new ATOM 0 HA SER A 72 1.513 8.606 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.829 10.759 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.935 10.809 -0.782 1.00 0.00 H new ATOM 0 HG SER A 72 -0.257 10.423 -1.447 1.00 0.00 H new ATOM 1019 N LEU A 73 1.885 6.718 -0.284 1.00 0.00 N ATOM 1020 CA LEU A 73 2.050 5.577 -1.168 1.00 0.00 C ATOM 1021 C LEU A 73 0.753 5.347 -1.946 1.00 0.00 C ATOM 1022 O LEU A 73 0.380 4.207 -2.215 1.00 0.00 O ATOM 1023 CB LEU A 73 2.519 4.352 -0.380 1.00 0.00 C ATOM 1024 CG LEU A 73 3.761 4.550 0.492 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.211 3.227 1.114 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.884 5.223 -0.299 1.00 0.00 C ATOM 0 H LEU A 73 1.407 6.512 0.593 1.00 0.00 H new ATOM 0 HA LEU A 73 2.831 5.774 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.700 4.020 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.720 3.546 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 73 3.500 5.218 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.095 3.396 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.410 2.825 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.449 2.516 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.755 5.352 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.152 4.600 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.547 6.197 -0.653 1.00 0.00 H new ATOM 1038 N VAL A 74 0.102 6.450 -2.286 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.146 6.384 -3.028 1.00 0.00 C ATOM 1040 C VAL A 74 -0.881 6.732 -4.494 1.00 0.00 C ATOM 1041 O VAL A 74 -0.058 7.595 -4.792 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.191 7.292 -2.377 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.490 7.300 -3.185 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.449 6.880 -0.926 1.00 0.00 C ATOM 0 H VAL A 74 0.415 7.394 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.553 5.373 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.795 8.307 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.216 7.953 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.290 7.665 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.891 6.288 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.196 7.542 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.813 5.853 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.522 6.951 -0.357 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.595 6.041 -5.371 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.448 6.266 -6.799 1.00 0.00 C ATOM 1056 C GLY A 75 0.028 6.277 -7.203 1.00 0.00 C ATOM 1057 O GLY A 75 0.464 7.152 -7.950 1.00 0.00 O ATOM 0 H GLY A 75 -2.277 5.325 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.974 5.486 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.910 7.215 -7.071 1.00 0.00 H new ATOM 1061 N VAL A 76 0.755 5.295 -6.691 1.00 0.00 N ATOM 1062 CA VAL A 76 2.173 5.181 -6.989 1.00 0.00 C ATOM 1063 C VAL A 76 2.492 3.737 -7.382 1.00 0.00 C ATOM 1064 O VAL A 76 1.857 2.803 -6.895 1.00 0.00 O ATOM 1065 CB VAL A 76 2.999 5.674 -5.800 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.516 7.046 -5.327 1.00 0.00 C ATOM 1067 CG2 VAL A 76 2.971 4.659 -4.655 1.00 0.00 C ATOM 0 H VAL A 76 0.389 4.571 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 76 2.438 5.814 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 76 4.032 5.779 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.120 7.373 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.611 7.765 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.472 6.979 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.566 5.034 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.942 4.508 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.385 3.711 -4.999 1.00 0.00 H new ATOM 1077 N THR A 77 3.475 3.600 -8.259 1.00 0.00 N ATOM 1078 CA THR A 77 3.886 2.286 -8.723 1.00 0.00 C ATOM 1079 C THR A 77 4.557 1.506 -7.590 1.00 0.00 C ATOM 1080 O THR A 77 5.287 2.081 -6.784 1.00 0.00 O ATOM 1081 CB THR A 77 4.786 2.476 -9.946 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.159 1.150 -10.312 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.113 3.153 -9.597 1.00 0.00 C ATOM 0 H THR A 77 3.999 4.377 -8.661 1.00 0.00 H new ATOM 0 HA THR A 77 3.027 1.686 -9.024 1.00 0.00 H new ATOM 0 HB THR A 77 4.261 3.070 -10.694 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.743 1.180 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.713 3.264 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.918 4.136 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.654 2.542 -8.874 1.00 0.00 H new ATOM 1091 N GLN A 78 4.286 0.209 -7.565 1.00 0.00 N ATOM 1092 CA GLN A 78 4.854 -0.655 -6.545 1.00 0.00 C ATOM 1093 C GLN A 78 6.284 -0.219 -6.216 1.00 0.00 C ATOM 1094 O GLN A 78 6.637 -0.067 -5.047 1.00 0.00 O ATOM 1095 CB GLN A 78 4.815 -2.120 -6.983 1.00 0.00 C ATOM 1096 CG GLN A 78 5.031 -3.055 -5.791 1.00 0.00 C ATOM 1097 CD GLN A 78 5.288 -4.489 -6.259 1.00 0.00 C ATOM 1098 OE1 GLN A 78 4.447 -5.131 -6.867 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.493 -4.954 -5.941 1.00 0.00 N ATOM 0 H GLN A 78 3.680 -0.264 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 78 4.250 -0.564 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.855 -2.338 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.584 -2.299 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.876 -2.705 -5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.155 -3.032 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.149 -4.363 -5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.761 -5.901 -6.208 1.00 0.00 H new ATOM 1108 N ASN A 79 7.067 -0.029 -7.267 1.00 0.00 N ATOM 1109 CA ASN A 79 8.450 0.386 -7.105 1.00 0.00 C ATOM 1110 C ASN A 79 8.523 1.503 -6.062 1.00 0.00 C ATOM 1111 O ASN A 79 9.094 1.319 -4.988 1.00 0.00 O ATOM 1112 CB ASN A 79 9.021 0.926 -8.418 1.00 0.00 C ATOM 1113 CG ASN A 79 10.116 0.006 -8.959 1.00 0.00 C ATOM 1114 OD1 ASN A 79 9.907 -1.169 -9.213 1.00 0.00 O ATOM 1115 ND2 ASN A 79 11.293 0.604 -9.122 1.00 0.00 N ATOM 0 H ASN A 79 6.770 -0.155 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 79 9.029 -0.483 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.223 1.020 -9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.426 1.925 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.089 0.075 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.400 1.591 -8.890 1.00 0.00 H new ATOM 1122 N PHE A 80 7.937 2.638 -6.415 1.00 0.00 N ATOM 1123 CA PHE A 80 7.929 3.785 -5.523 1.00 0.00 C ATOM 1124 C PHE A 80 7.795 3.344 -4.064 1.00 0.00 C ATOM 1125 O PHE A 80 8.647 3.661 -3.235 1.00 0.00 O ATOM 1126 CB PHE A 80 6.714 4.635 -5.899 1.00 0.00 C ATOM 1127 CG PHE A 80 6.482 5.832 -4.975 1.00 0.00 C ATOM 1128 CD1 PHE A 80 7.105 7.015 -5.223 1.00 0.00 C ATOM 1129 CD2 PHE A 80 5.651 5.713 -3.904 1.00 0.00 C ATOM 1130 CE1 PHE A 80 6.890 8.125 -4.365 1.00 0.00 C ATOM 1131 CE2 PHE A 80 5.435 6.824 -3.046 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.059 8.006 -3.295 1.00 0.00 C ATOM 0 H PHE A 80 7.464 2.788 -7.306 1.00 0.00 H new ATOM 0 HA PHE A 80 8.862 4.340 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.838 4.996 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.825 4.004 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.764 7.110 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.156 4.774 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.386 9.064 -4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.775 6.730 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.895 8.851 -2.643 1.00 0.00 H new ATOM 1142 N ALA A 81 6.720 2.619 -3.794 1.00 0.00 N ATOM 1143 CA ALA A 81 6.464 2.131 -2.450 1.00 0.00 C ATOM 1144 C ALA A 81 7.667 1.317 -1.970 1.00 0.00 C ATOM 1145 O ALA A 81 8.155 1.519 -0.859 1.00 0.00 O ATOM 1146 CB ALA A 81 5.168 1.317 -2.440 1.00 0.00 C ATOM 0 H ALA A 81 6.016 2.358 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 81 6.332 2.963 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.976 0.951 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.339 1.948 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.264 0.471 -3.121 1.00 0.00 H new ATOM 1152 N ALA A 82 8.111 0.413 -2.831 1.00 0.00 N ATOM 1153 CA ALA A 82 9.248 -0.433 -2.508 1.00 0.00 C ATOM 1154 C ALA A 82 10.419 0.444 -2.062 1.00 0.00 C ATOM 1155 O ALA A 82 11.100 0.127 -1.087 1.00 0.00 O ATOM 1156 CB ALA A 82 9.598 -1.301 -3.718 1.00 0.00 C ATOM 0 H ALA A 82 7.704 0.248 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 82 9.006 -1.104 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.451 -1.936 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.743 -1.925 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.850 -0.661 -4.564 1.00 0.00 H new ATOM 1162 N THR A 83 10.619 1.528 -2.796 1.00 0.00 N ATOM 1163 CA THR A 83 11.697 2.453 -2.488 1.00 0.00 C ATOM 1164 C THR A 83 11.463 3.110 -1.126 1.00 0.00 C ATOM 1165 O THR A 83 12.344 3.099 -0.268 1.00 0.00 O ATOM 1166 CB THR A 83 11.802 3.458 -3.637 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.235 2.673 -4.745 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.932 4.468 -3.431 1.00 0.00 C ATOM 0 H THR A 83 10.053 1.787 -3.604 1.00 0.00 H new ATOM 0 HA THR A 83 12.651 1.933 -2.404 1.00 0.00 H new ATOM 0 HB THR A 83 10.856 3.989 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.328 3.245 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.962 5.157 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.757 5.027 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.883 3.940 -3.359 1.00 0.00 H new ATOM 1176 N VAL A 84 10.270 3.666 -0.970 1.00 0.00 N ATOM 1177 CA VAL A 84 9.909 4.327 0.272 1.00 0.00 C ATOM 1178 C VAL A 84 10.185 3.384 1.445 1.00 0.00 C ATOM 1179 O VAL A 84 10.913 3.736 2.372 1.00 0.00 O ATOM 1180 CB VAL A 84 8.454 4.796 0.212 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.034 5.452 1.529 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.232 5.744 -0.968 1.00 0.00 C ATOM 0 H VAL A 84 9.541 3.672 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 84 10.518 5.219 0.421 1.00 0.00 H new ATOM 0 HB VAL A 84 7.825 3.919 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.996 5.776 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.136 4.733 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.671 6.315 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.190 6.063 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.876 6.617 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.472 5.229 -1.898 1.00 0.00 H new ATOM 1192 N LEU A 85 9.589 2.203 1.366 1.00 0.00 N ATOM 1193 CA LEU A 85 9.761 1.207 2.410 1.00 0.00 C ATOM 1194 C LEU A 85 11.255 0.971 2.642 1.00 0.00 C ATOM 1195 O LEU A 85 11.666 0.611 3.744 1.00 0.00 O ATOM 1196 CB LEU A 85 8.984 -0.066 2.069 1.00 0.00 C ATOM 1197 CG LEU A 85 7.459 0.061 2.061 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.810 -1.159 1.405 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.922 0.307 3.472 1.00 0.00 C ATOM 0 H LEU A 85 8.987 1.914 0.595 1.00 0.00 H new ATOM 0 HA LEU A 85 9.344 1.566 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.305 -0.412 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.261 -0.840 2.785 1.00 0.00 H new ATOM 0 HG LEU A 85 7.192 0.930 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.726 -1.043 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.158 -1.247 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.082 -2.058 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.836 0.393 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.200 -0.526 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.347 1.229 3.867 1.00 0.00 H new ATOM 1211 N ARG A 86 12.027 1.184 1.586 1.00 0.00 N ATOM 1212 CA ARG A 86 13.466 0.999 1.661 1.00 0.00 C ATOM 1213 C ARG A 86 14.136 2.264 2.201 1.00 0.00 C ATOM 1214 O ARG A 86 15.253 2.210 2.712 1.00 0.00 O ATOM 1215 CB ARG A 86 14.051 0.667 0.287 1.00 0.00 C ATOM 1216 CG ARG A 86 13.835 -0.808 -0.059 1.00 0.00 C ATOM 1217 CD ARG A 86 13.569 -0.987 -1.555 1.00 0.00 C ATOM 1218 NE ARG A 86 14.838 -1.264 -2.265 1.00 0.00 N ATOM 1219 CZ ARG A 86 14.941 -1.400 -3.594 1.00 0.00 C ATOM 1220 NH1 ARG A 86 13.852 -1.285 -4.366 1.00 0.00 N ATOM 1221 NH2 ARG A 86 16.134 -1.650 -4.151 1.00 0.00 N ATOM 0 H ARG A 86 11.683 1.483 0.674 1.00 0.00 H new ATOM 0 HA ARG A 86 13.659 0.165 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.584 1.294 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.117 0.894 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.713 -1.385 0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.994 -1.200 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.868 -1.807 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.105 -0.088 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 86 15.687 -1.357 -1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.944 -1.094 -3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.931 -1.389 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.963 -1.737 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.213 -1.754 -5.163 1.00 0.00 H new ATOM 1235 N ASN A 87 13.425 3.375 2.069 1.00 0.00 N ATOM 1236 CA ASN A 87 13.937 4.651 2.537 1.00 0.00 C ATOM 1237 C ASN A 87 13.762 4.741 4.054 1.00 0.00 C ATOM 1238 O ASN A 87 14.697 5.097 4.770 1.00 0.00 O ATOM 1239 CB ASN A 87 13.174 5.816 1.903 1.00 0.00 C ATOM 1240 CG ASN A 87 13.948 6.401 0.720 1.00 0.00 C ATOM 1241 OD1 ASN A 87 15.047 6.914 0.857 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.316 6.296 -0.445 1.00 0.00 N ATOM 0 H ASN A 87 12.498 3.417 1.644 1.00 0.00 H new ATOM 0 HA ASN A 87 14.989 4.715 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.195 5.474 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.003 6.592 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.750 6.657 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.397 5.855 -0.489 1.00 0.00 H new ATOM 1249 N THR A 88 12.559 4.411 4.499 1.00 0.00 N ATOM 1250 CA THR A 88 12.249 4.450 5.919 1.00 0.00 C ATOM 1251 C THR A 88 13.433 3.928 6.736 1.00 0.00 C ATOM 1252 O THR A 88 14.296 3.228 6.209 1.00 0.00 O ATOM 1253 CB THR A 88 10.959 3.659 6.143 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.154 2.459 5.399 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.747 4.316 5.481 1.00 0.00 C ATOM 0 H THR A 88 11.787 4.115 3.902 1.00 0.00 H new ATOM 0 HA THR A 88 12.083 5.472 6.261 1.00 0.00 H new ATOM 0 HB THR A 88 10.777 3.557 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.364 1.886 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.858 3.714 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.604 5.315 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.914 4.388 4.406 1.00 0.00 H new ATOM 1263 N LYS A 89 13.434 4.289 8.011 1.00 0.00 N ATOM 1264 CA LYS A 89 14.497 3.866 8.907 1.00 0.00 C ATOM 1265 C LYS A 89 13.883 3.264 10.172 1.00 0.00 C ATOM 1266 O LYS A 89 12.665 3.115 10.265 1.00 0.00 O ATOM 1267 CB LYS A 89 15.459 5.024 9.181 1.00 0.00 C ATOM 1268 CG LYS A 89 16.392 5.255 7.991 1.00 0.00 C ATOM 1269 CD LYS A 89 17.708 5.892 8.441 1.00 0.00 C ATOM 1270 CE LYS A 89 17.827 7.328 7.927 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.248 7.730 7.833 1.00 0.00 N ATOM 0 H LYS A 89 12.716 4.869 8.445 1.00 0.00 H new ATOM 0 HA LYS A 89 15.099 3.085 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.892 5.932 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.048 4.809 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.594 4.306 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.903 5.900 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.765 5.886 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.547 5.300 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.354 7.410 6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.295 8.005 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.310 8.707 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.688 7.671 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.746 7.095 7.177 1.00 0.00 H new ATOM 1285 N GLY A 90 14.753 2.936 11.116 1.00 0.00 N ATOM 1286 CA GLY A 90 14.311 2.354 12.372 1.00 0.00 C ATOM 1287 C GLY A 90 12.804 2.541 12.563 1.00 0.00 C ATOM 1288 O GLY A 90 12.021 1.637 12.277 1.00 0.00 O ATOM 0 H GLY A 90 15.762 3.062 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.554 1.292 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.846 2.818 13.200 1.00 0.00 H new ATOM 1292 N ASN A 91 12.444 3.722 13.044 1.00 0.00 N ATOM 1293 CA ASN A 91 11.045 4.040 13.277 1.00 0.00 C ATOM 1294 C ASN A 91 10.365 4.337 11.939 1.00 0.00 C ATOM 1295 O ASN A 91 10.922 5.041 11.099 1.00 0.00 O ATOM 1296 CB ASN A 91 10.902 5.276 14.166 1.00 0.00 C ATOM 1297 CG ASN A 91 9.433 5.539 14.508 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.778 6.391 13.931 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.956 4.761 15.475 1.00 0.00 N ATOM 0 H ASN A 91 13.096 4.470 13.279 1.00 0.00 H new ATOM 0 HA ASN A 91 10.582 3.186 13.771 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.473 5.136 15.084 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.322 6.144 13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.986 4.858 15.776 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.560 4.067 15.916 1.00 0.00 H new ATOM 1306 N VAL A 92 9.170 3.787 11.784 1.00 0.00 N ATOM 1307 CA VAL A 92 8.408 3.985 10.562 1.00 0.00 C ATOM 1308 C VAL A 92 6.930 4.166 10.912 1.00 0.00 C ATOM 1309 O VAL A 92 6.360 3.363 11.649 1.00 0.00 O ATOM 1310 CB VAL A 92 8.656 2.824 9.597 1.00 0.00 C ATOM 1311 CG1 VAL A 92 7.894 3.029 8.286 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.152 2.635 9.338 1.00 0.00 C ATOM 0 H VAL A 92 8.710 3.204 12.484 1.00 0.00 H new ATOM 0 HA VAL A 92 8.734 4.891 10.051 1.00 0.00 H new ATOM 0 HB VAL A 92 8.280 1.914 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.087 2.190 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.825 3.090 8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.226 3.953 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.300 1.803 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.564 3.545 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.660 2.422 10.278 1.00 0.00 H new ATOM 1322 N ARG A 93 6.351 5.226 10.367 1.00 0.00 N ATOM 1323 CA ARG A 93 4.950 5.523 10.613 1.00 0.00 C ATOM 1324 C ARG A 93 4.098 5.083 9.421 1.00 0.00 C ATOM 1325 O ARG A 93 4.090 5.741 8.382 1.00 0.00 O ATOM 1326 CB ARG A 93 4.739 7.018 10.857 1.00 0.00 C ATOM 1327 CG ARG A 93 3.917 7.256 12.126 1.00 0.00 C ATOM 1328 CD ARG A 93 3.186 8.598 12.063 1.00 0.00 C ATOM 1329 NE ARG A 93 3.672 9.490 13.139 1.00 0.00 N ATOM 1330 CZ ARG A 93 3.076 10.638 13.490 1.00 0.00 C ATOM 1331 NH1 ARG A 93 1.970 11.041 12.850 1.00 0.00 N ATOM 1332 NH2 ARG A 93 3.588 11.384 14.479 1.00 0.00 N ATOM 0 H ARG A 93 6.827 5.890 9.756 1.00 0.00 H new ATOM 0 HA ARG A 93 4.646 4.974 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.705 7.515 10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.230 7.462 10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.194 6.450 12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.572 7.235 12.997 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.348 9.065 11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.112 8.442 12.166 1.00 0.00 H new ATOM 0 HE ARG A 93 4.513 9.214 13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.582 10.474 12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.516 11.915 13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.431 11.078 14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.134 12.258 14.746 1.00 0.00 H new ATOM 1346 N PHE A 94 3.400 3.972 9.611 1.00 0.00 N ATOM 1347 CA PHE A 94 2.546 3.436 8.565 1.00 0.00 C ATOM 1348 C PHE A 94 1.078 3.783 8.824 1.00 0.00 C ATOM 1349 O PHE A 94 0.525 3.423 9.862 1.00 0.00 O ATOM 1350 CB PHE A 94 2.710 1.915 8.589 1.00 0.00 C ATOM 1351 CG PHE A 94 4.130 1.438 8.280 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.557 1.363 6.991 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.966 1.087 9.294 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.875 0.920 6.703 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.284 0.644 9.007 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.711 0.570 7.718 1.00 0.00 C ATOM 0 H PHE A 94 3.409 3.429 10.474 1.00 0.00 H new ATOM 0 HA PHE A 94 2.827 3.860 7.601 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.419 1.544 9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.024 1.474 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.893 1.641 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.627 1.145 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.214 0.861 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.948 0.366 9.812 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.714 0.233 7.500 1.00 0.00 H new ATOM 1366 N VAL A 95 0.490 4.479 7.862 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.903 4.878 7.973 1.00 0.00 C ATOM 1368 C VAL A 95 -1.772 3.910 7.169 1.00 0.00 C ATOM 1369 O VAL A 95 -1.976 4.101 5.971 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.066 6.335 7.533 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.479 6.593 7.006 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.723 7.294 8.675 1.00 0.00 C ATOM 0 H VAL A 95 0.952 4.777 7.003 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.234 4.826 9.010 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.366 6.520 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.569 7.635 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.672 5.946 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.205 6.382 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.847 8.323 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.387 7.107 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.310 7.136 8.985 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.262 2.891 7.860 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.105 1.892 7.224 1.00 0.00 C ATOM 1384 C ILE A 96 -4.530 2.435 7.106 1.00 0.00 C ATOM 1385 O ILE A 96 -4.940 3.290 7.890 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.014 0.560 7.972 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.584 0.295 8.448 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.555 -0.587 7.117 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.569 0.648 7.358 1.00 0.00 C ATOM 0 H ILE A 96 -2.092 2.735 8.854 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.757 1.687 6.212 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.643 0.624 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.380 0.882 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.477 -0.754 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.479 -1.522 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.599 -0.396 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.973 -0.662 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.439 0.450 7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.760 0.042 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.662 1.703 7.102 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.247 1.915 6.120 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.618 2.337 5.889 1.00 0.00 C ATOM 1403 C GLY A 97 -7.584 1.158 6.019 1.00 0.00 C ATOM 1404 O GLY A 97 -7.643 0.299 5.141 1.00 0.00 O ATOM 0 H GLY A 97 -4.904 1.206 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.888 3.114 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.705 2.775 4.895 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.317 1.154 7.123 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.277 0.094 7.380 1.00 0.00 C ATOM 1410 C ARG A 98 -10.691 0.562 7.029 1.00 0.00 C ATOM 1411 O ARG A 98 -11.017 1.737 7.189 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.240 -0.340 8.847 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.064 -1.855 8.966 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.747 -2.201 9.665 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.082 -3.322 8.964 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.564 -4.572 8.920 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.716 -4.868 9.535 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.892 -5.526 8.261 1.00 0.00 N ATOM 0 H ARG A 98 -8.265 1.868 7.850 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.006 -0.757 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.422 0.166 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.162 -0.037 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.899 -2.279 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.083 -2.306 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.092 -1.330 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.937 -2.472 10.704 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.202 -3.132 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.227 -4.142 10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.082 -5.819 9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.014 -5.301 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.258 -6.477 8.227 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.493 -0.382 6.557 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.864 -0.081 6.183 1.00 0.00 C ATOM 1434 C GLU A 99 -13.713 0.164 7.431 1.00 0.00 C ATOM 1435 O GLU A 99 -13.926 -0.746 8.230 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.457 -1.201 5.327 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.467 -0.814 3.847 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.294 -2.046 2.956 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -13.970 -3.057 3.247 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -12.489 -1.950 2.005 1.00 0.00 O ATOM 0 H GLU A 99 -11.219 -1.356 6.425 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.865 0.829 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.877 -2.114 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.473 -1.416 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.405 -0.314 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.666 -0.102 3.648 1.00 0.00 H new