USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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: B 16 ASN : amide:sc= -3.14! C(o=-2.5!,f=-5.1!) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 159:sc= 0.69 (180deg=-0.0801) USER MOD Set 2.1: B 9 LYS NZ :NH3+ -136:sc= 1.07 (180deg=0.196) USER MOD Set 2.2: B 55 THR OG1 : rot -67:sc= 0.876 USER MOD Single : B 17 THR OG1 : rot 90:sc= 1.22 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc=-0.00233 X(o=-0.0023,f=-0.0023) USER MOD Single : B 22 LYS NZ :NH3+ -147:sc= 1.19 (180deg=0.794) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00318) USER MOD Single : B 31 TYR OH : rot 173:sc= -0.305 USER MOD Single : B 40 MET CE :methyl -126:sc= -0.395 (180deg=-2.65!) USER MOD Single : B 41 LYS NZ :NH3+ 168:sc=-0.00681 (180deg=-0.132) USER MOD Single : B 58 SER OG : rot -121:sc= 0.00483 USER MOD Single : B 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0526) USER MOD Single : B 69 MET CE :methyl -166:sc= -0.204 (180deg=-0.902) USER MOD Single : B 70 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.2) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot -160:sc= -0.223 USER MOD Single : B 80 LYS NZ :NH3+ 169:sc=-0.00826 (180deg=-0.16) USER MOD Single : B 83 GLN : amide:sc= 0.0976 K(o=0.098,f=-0.44) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.147 -2.621 -18.686 1.00 0.00 N ATOM 112 CA GLY B 8 3.197 -3.338 -19.382 1.00 0.00 C ATOM 113 C GLY B 8 4.387 -3.564 -18.467 1.00 0.00 C ATOM 114 O GLY B 8 5.276 -4.330 -18.825 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.817 -4.296 -19.737 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.509 -2.774 -20.261 1.00 0.00 H new ATOM 118 N LYS B 9 4.416 -2.918 -17.292 1.00 0.00 N ATOM 119 CA LYS B 9 5.487 -3.187 -16.353 1.00 0.00 C ATOM 120 C LYS B 9 5.018 -4.286 -15.421 1.00 0.00 C ATOM 121 O LYS B 9 3.967 -4.172 -14.798 1.00 0.00 O ATOM 122 CB LYS B 9 5.943 -1.945 -15.597 1.00 0.00 C ATOM 123 CG LYS B 9 7.114 -2.397 -14.717 1.00 0.00 C ATOM 124 CD LYS B 9 7.748 -1.243 -13.950 1.00 0.00 C ATOM 125 CE LYS B 9 8.500 -0.300 -14.892 1.00 0.00 C ATOM 126 NZ LYS B 9 9.689 -0.953 -15.474 1.00 0.00 N ATOM 0 H LYS B 9 3.729 -2.229 -16.986 1.00 0.00 H new ATOM 0 HA LYS B 9 6.372 -3.512 -16.900 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.253 -1.160 -16.286 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.134 -1.537 -14.991 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.764 -3.149 -14.010 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.870 -2.873 -15.341 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.975 -0.689 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.434 -1.635 -13.199 1.00 0.00 H new ATOM 0 HE2 LYS B 9 7.834 0.025 -15.691 1.00 0.00 H new ATOM 0 HE3 LYS B 9 8.804 0.594 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.495 -0.296 -15.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.919 -1.807 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.492 -1.217 -16.461 1.00 0.00 H new ATOM 140 N LEU B 10 5.805 -5.351 -15.332 1.00 0.00 N ATOM 141 CA LEU B 10 5.444 -6.510 -14.549 1.00 0.00 C ATOM 142 C LEU B 10 6.342 -6.618 -13.327 1.00 0.00 C ATOM 143 O LEU B 10 7.492 -6.186 -13.355 1.00 0.00 O ATOM 144 CB LEU B 10 5.571 -7.750 -15.428 1.00 0.00 C ATOM 145 CG LEU B 10 4.542 -7.823 -16.556 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.812 -9.115 -17.321 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.109 -7.881 -16.035 1.00 0.00 C ATOM 0 H LEU B 10 6.707 -5.429 -15.802 1.00 0.00 H new ATOM 0 HA LEU B 10 4.416 -6.419 -14.199 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.571 -7.775 -15.861 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.472 -8.637 -14.803 1.00 0.00 H new ATOM 0 HG LEU B 10 4.637 -6.929 -17.173 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.098 -9.209 -18.139 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.825 -9.095 -17.724 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.707 -9.965 -16.647 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.418 -7.932 -16.876 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.985 -8.765 -15.409 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.899 -6.988 -15.447 1.00 0.00 H new ATOM 159 N PHE B 11 5.801 -7.202 -12.261 1.00 0.00 N ATOM 160 CA PHE B 11 6.533 -7.551 -11.062 1.00 0.00 C ATOM 161 C PHE B 11 6.726 -9.058 -11.081 1.00 0.00 C ATOM 162 O PHE B 11 5.764 -9.802 -11.261 1.00 0.00 O ATOM 163 CB PHE B 11 5.750 -7.118 -9.826 1.00 0.00 C ATOM 164 CG PHE B 11 6.304 -7.709 -8.556 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.481 -7.189 -8.002 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.652 -8.786 -7.933 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.008 -7.739 -6.832 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.181 -9.339 -6.759 1.00 0.00 C ATOM 169 CZ PHE B 11 7.362 -8.816 -6.215 1.00 0.00 C ATOM 0 H PHE B 11 4.813 -7.450 -12.213 1.00 0.00 H new ATOM 0 HA PHE B 11 7.498 -7.046 -11.029 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.764 -6.031 -9.753 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.708 -7.416 -9.937 1.00 0.00 H new ATOM 0 HD1 PHE B 11 7.982 -6.361 -8.481 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.744 -9.187 -8.358 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.913 -7.334 -6.404 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.681 -10.165 -6.275 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.776 -9.246 -5.315 1.00 0.00 H new ATOM 179 N ILE B 12 7.969 -9.501 -10.895 1.00 0.00 N ATOM 180 CA ILE B 12 8.324 -10.902 -11.029 1.00 0.00 C ATOM 181 C ILE B 12 8.870 -11.424 -9.701 1.00 0.00 C ATOM 182 O ILE B 12 10.084 -11.544 -9.541 1.00 0.00 O ATOM 183 CB ILE B 12 9.355 -11.064 -12.160 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.120 -10.196 -13.404 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.384 -12.530 -12.577 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.772 -10.404 -14.094 1.00 0.00 C ATOM 0 H ILE B 12 8.752 -8.896 -10.648 1.00 0.00 H new ATOM 0 HA ILE B 12 7.441 -11.487 -11.285 1.00 0.00 H new ATOM 0 HB ILE B 12 10.304 -10.721 -11.748 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.207 -9.148 -13.118 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.914 -10.397 -14.123 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.110 -12.666 -13.379 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.667 -13.146 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.396 -12.828 -12.928 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.702 -9.747 -14.961 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.685 -11.441 -14.417 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.967 -10.173 -13.397 1.00 0.00 H new ATOM 198 N GLY B 13 7.999 -11.729 -8.736 1.00 0.00 N ATOM 199 CA GLY B 13 8.456 -12.124 -7.407 1.00 0.00 C ATOM 200 C GLY B 13 8.556 -13.641 -7.250 1.00 0.00 C ATOM 201 O GLY B 13 7.725 -14.380 -7.770 1.00 0.00 O ATOM 0 H GLY B 13 6.986 -11.710 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.431 -11.677 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.770 -11.729 -6.658 1.00 0.00 H new ATOM 205 N GLY B 14 9.575 -14.113 -6.526 1.00 0.00 N ATOM 206 CA GLY B 14 9.726 -15.523 -6.182 1.00 0.00 C ATOM 207 C GLY B 14 10.772 -16.209 -7.054 1.00 0.00 C ATOM 208 O GLY B 14 10.942 -17.425 -6.985 1.00 0.00 O ATOM 0 H GLY B 14 10.321 -13.521 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.011 -15.613 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.768 -16.030 -6.297 1.00 0.00 H new ATOM 212 N LEU B 15 11.476 -15.433 -7.881 1.00 0.00 N ATOM 213 CA LEU B 15 12.470 -15.948 -8.806 1.00 0.00 C ATOM 214 C LEU B 15 13.598 -16.671 -8.079 1.00 0.00 C ATOM 215 O LEU B 15 13.794 -16.506 -6.875 1.00 0.00 O ATOM 216 CB LEU B 15 13.078 -14.790 -9.588 1.00 0.00 C ATOM 217 CG LEU B 15 12.107 -14.071 -10.521 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.661 -12.690 -10.847 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.023 -14.851 -11.827 1.00 0.00 C ATOM 0 H LEU B 15 11.366 -14.420 -7.922 1.00 0.00 H new ATOM 0 HA LEU B 15 11.969 -16.654 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.485 -14.066 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.915 -15.166 -10.177 1.00 0.00 H new ATOM 0 HG LEU B 15 11.130 -13.992 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.973 -12.170 -11.513 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.777 -12.118 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.630 -12.793 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.333 -14.351 -12.506 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.011 -14.901 -12.285 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.665 -15.861 -11.625 1.00 0.00 H new ATOM 231 N ASN B 16 14.349 -17.481 -8.830 1.00 0.00 N ATOM 232 CA ASN B 16 15.512 -18.165 -8.321 1.00 0.00 C ATOM 233 C ASN B 16 16.652 -17.174 -8.078 1.00 0.00 C ATOM 234 O ASN B 16 16.657 -16.075 -8.632 1.00 0.00 O ATOM 235 CB ASN B 16 15.896 -19.229 -9.334 1.00 0.00 C ATOM 236 CG ASN B 16 16.884 -20.235 -8.802 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.132 -20.330 -7.601 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.453 -20.993 -9.719 1.00 0.00 N ATOM 0 H ASN B 16 14.155 -17.673 -9.813 1.00 0.00 H new ATOM 0 HA ASN B 16 15.298 -18.635 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN B 16 14.996 -19.752 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.320 -18.746 -10.214 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.135 -21.700 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.211 -20.872 -10.702 1.00 0.00 H new ATOM 245 N THR B 17 17.623 -17.562 -7.248 1.00 0.00 N ATOM 246 CA THR B 17 18.786 -16.736 -6.950 1.00 0.00 C ATOM 247 C THR B 17 19.794 -16.794 -8.092 1.00 0.00 C ATOM 248 O THR B 17 20.838 -16.145 -8.043 1.00 0.00 O ATOM 249 CB THR B 17 19.432 -17.216 -5.653 1.00 0.00 C ATOM 250 OG1 THR B 17 19.825 -18.565 -5.766 1.00 0.00 O ATOM 251 CG2 THR B 17 18.441 -17.120 -4.503 1.00 0.00 C ATOM 0 H THR B 17 17.621 -18.460 -6.765 1.00 0.00 H new ATOM 0 HA THR B 17 18.464 -15.701 -6.833 1.00 0.00 H new ATOM 0 HB THR B 17 20.300 -16.584 -5.463 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.741 -18.611 -6.111 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.915 -17.466 -3.584 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.125 -16.084 -4.381 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.572 -17.742 -4.719 1.00 0.00 H new ATOM 259 N GLU B 18 19.472 -17.580 -9.121 1.00 0.00 N ATOM 260 CA GLU B 18 20.370 -17.912 -10.212 1.00 0.00 C ATOM 261 C GLU B 18 19.937 -17.224 -11.508 1.00 0.00 C ATOM 262 O GLU B 18 20.634 -17.295 -12.519 1.00 0.00 O ATOM 263 CB GLU B 18 20.359 -19.434 -10.386 1.00 0.00 C ATOM 264 CG GLU B 18 20.379 -20.160 -9.033 1.00 0.00 C ATOM 265 CD GLU B 18 21.694 -19.925 -8.288 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.642 -20.702 -8.539 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.752 -18.977 -7.472 1.00 0.00 O ATOM 0 H GLU B 18 18.553 -18.012 -9.214 1.00 0.00 H new ATOM 0 HA GLU B 18 21.376 -17.563 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.471 -19.730 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.223 -19.739 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.546 -19.813 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.235 -21.229 -9.191 1.00 0.00 H new ATOM 274 N THR B 19 18.779 -16.558 -11.477 1.00 0.00 N ATOM 275 CA THR B 19 18.211 -15.891 -12.637 1.00 0.00 C ATOM 276 C THR B 19 18.828 -14.511 -12.800 1.00 0.00 C ATOM 277 O THR B 19 19.143 -13.849 -11.812 1.00 0.00 O ATOM 278 CB THR B 19 16.691 -15.783 -12.467 1.00 0.00 C ATOM 279 OG1 THR B 19 16.159 -17.049 -12.152 1.00 0.00 O ATOM 280 CG2 THR B 19 16.019 -15.285 -13.742 1.00 0.00 C ATOM 0 H THR B 19 18.210 -16.470 -10.635 1.00 0.00 H new ATOM 0 HA THR B 19 18.429 -16.472 -13.533 1.00 0.00 H new ATOM 0 HB THR B 19 16.499 -15.071 -11.665 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.188 -16.978 -12.042 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.942 -15.221 -13.585 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.408 -14.299 -13.997 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.226 -15.979 -14.557 1.00 0.00 H new ATOM 288 N ASN B 20 18.998 -14.073 -14.049 1.00 0.00 N ATOM 289 CA ASN B 20 19.464 -12.730 -14.345 1.00 0.00 C ATOM 290 C ASN B 20 18.582 -12.113 -15.420 1.00 0.00 C ATOM 291 O ASN B 20 17.540 -12.659 -15.777 1.00 0.00 O ATOM 292 CB ASN B 20 20.917 -12.712 -14.818 1.00 0.00 C ATOM 293 CG ASN B 20 21.720 -13.905 -14.348 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.265 -13.918 -13.247 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.787 -14.920 -15.200 1.00 0.00 N ATOM 0 H ASN B 20 18.816 -14.642 -14.876 1.00 0.00 H new ATOM 0 HA ASN B 20 19.407 -12.153 -13.422 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.936 -12.678 -15.907 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.395 -11.799 -14.462 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.309 -15.760 -14.952 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.316 -14.860 -16.103 1.00 0.00 H new ATOM 302 N GLU B 21 19.018 -10.966 -15.936 1.00 0.00 N ATOM 303 CA GLU B 21 18.242 -10.194 -16.893 1.00 0.00 C ATOM 304 C GLU B 21 18.124 -10.942 -18.211 1.00 0.00 C ATOM 305 O GLU B 21 17.090 -10.871 -18.866 1.00 0.00 O ATOM 306 CB GLU B 21 18.937 -8.852 -17.118 1.00 0.00 C ATOM 307 CG GLU B 21 18.855 -8.022 -15.845 1.00 0.00 C ATOM 308 CD GLU B 21 19.763 -6.795 -15.917 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.352 -5.806 -16.560 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.863 -6.859 -15.325 1.00 0.00 O ATOM 0 H GLU B 21 19.919 -10.549 -15.700 1.00 0.00 H new ATOM 0 HA GLU B 21 17.238 -10.034 -16.500 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.979 -9.011 -17.395 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.465 -8.319 -17.944 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.825 -7.705 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.138 -8.636 -14.990 1.00 0.00 H new ATOM 317 N LYS B 22 19.171 -11.666 -18.618 1.00 0.00 N ATOM 318 CA LYS B 22 19.167 -12.334 -19.908 1.00 0.00 C ATOM 319 C LYS B 22 18.149 -13.471 -19.939 1.00 0.00 C ATOM 320 O LYS B 22 17.620 -13.812 -20.994 1.00 0.00 O ATOM 321 CB LYS B 22 20.585 -12.834 -20.200 1.00 0.00 C ATOM 322 CG LYS B 22 20.678 -13.538 -21.558 1.00 0.00 C ATOM 323 CD LYS B 22 20.040 -12.710 -22.675 1.00 0.00 C ATOM 324 CE LYS B 22 20.739 -11.355 -22.815 1.00 0.00 C ATOM 325 NZ LYS B 22 20.030 -10.479 -23.764 1.00 0.00 N ATOM 0 H LYS B 22 20.022 -11.800 -18.073 1.00 0.00 H new ATOM 0 HA LYS B 22 18.867 -11.632 -20.686 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.277 -11.992 -20.180 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.896 -13.521 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.724 -13.726 -21.798 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.185 -14.508 -21.498 1.00 0.00 H new ATOM 0 HD2 LYS B 22 20.101 -13.255 -23.617 1.00 0.00 H new ATOM 0 HD3 LYS B 22 18.982 -12.558 -22.462 1.00 0.00 H new ATOM 0 HE2 LYS B 22 20.793 -10.870 -21.841 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.764 -11.506 -23.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 20.717 -9.877 -24.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.516 -11.061 -24.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 19.356 -9.880 -23.246 1.00 0.00 H new ATOM 339 N ALA B 23 17.863 -14.063 -18.780 1.00 0.00 N ATOM 340 CA ALA B 23 16.922 -15.167 -18.690 1.00 0.00 C ATOM 341 C ALA B 23 15.517 -14.594 -18.564 1.00 0.00 C ATOM 342 O ALA B 23 14.533 -15.259 -18.873 1.00 0.00 O ATOM 343 CB ALA B 23 17.285 -16.034 -17.482 1.00 0.00 C ATOM 0 H ALA B 23 18.275 -13.791 -17.888 1.00 0.00 H new ATOM 0 HA ALA B 23 16.964 -15.793 -19.581 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.584 -16.865 -17.407 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.296 -16.422 -17.604 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.234 -15.433 -16.574 1.00 0.00 H new ATOM 349 N LEU B 24 15.442 -13.344 -18.110 1.00 0.00 N ATOM 350 CA LEU B 24 14.216 -12.630 -17.837 1.00 0.00 C ATOM 351 C LEU B 24 13.728 -11.957 -19.115 1.00 0.00 C ATOM 352 O LEU B 24 12.536 -11.725 -19.291 1.00 0.00 O ATOM 353 CB LEU B 24 14.584 -11.615 -16.746 1.00 0.00 C ATOM 354 CG LEU B 24 14.037 -12.076 -15.405 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.761 -11.396 -14.252 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.557 -11.736 -15.297 1.00 0.00 C ATOM 0 H LEU B 24 16.274 -12.786 -17.917 1.00 0.00 H new ATOM 0 HA LEU B 24 13.403 -13.274 -17.502 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.667 -11.506 -16.689 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.178 -10.635 -16.997 1.00 0.00 H new ATOM 0 HG LEU B 24 14.188 -13.154 -15.346 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.348 -11.746 -13.306 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.823 -11.638 -14.296 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.632 -10.316 -14.327 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.176 -12.071 -14.332 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.424 -10.658 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.010 -12.235 -16.096 1.00 0.00 H new ATOM 368 N GLU B 25 14.656 -11.647 -20.017 1.00 0.00 N ATOM 369 CA GLU B 25 14.307 -11.145 -21.334 1.00 0.00 C ATOM 370 C GLU B 25 13.907 -12.295 -22.244 1.00 0.00 C ATOM 371 O GLU B 25 13.059 -12.152 -23.123 1.00 0.00 O ATOM 372 CB GLU B 25 15.525 -10.480 -21.977 1.00 0.00 C ATOM 373 CG GLU B 25 15.846 -9.161 -21.302 1.00 0.00 C ATOM 374 CD GLU B 25 16.997 -8.440 -22.001 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.948 -9.139 -22.420 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.922 -7.196 -22.114 1.00 0.00 O ATOM 0 H GLU B 25 15.659 -11.737 -19.854 1.00 0.00 H new ATOM 0 HA GLU B 25 13.487 -10.437 -21.215 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.385 -11.146 -21.909 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.335 -10.313 -23.037 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.961 -8.525 -21.305 1.00 0.00 H new ATOM 0 HG3 GLU B 25 16.107 -9.339 -20.259 1.00 0.00 H new ATOM 383 N ALA B 26 14.541 -13.442 -22.014 1.00 0.00 N ATOM 384 CA ALA B 26 14.391 -14.618 -22.851 1.00 0.00 C ATOM 385 C ALA B 26 13.107 -15.365 -22.529 1.00 0.00 C ATOM 386 O ALA B 26 12.609 -16.126 -23.356 1.00 0.00 O ATOM 387 CB ALA B 26 15.590 -15.524 -22.590 1.00 0.00 C ATOM 0 H ALA B 26 15.180 -13.577 -21.230 1.00 0.00 H new ATOM 0 HA ALA B 26 14.342 -14.318 -23.898 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.509 -16.420 -23.205 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.508 -14.993 -22.841 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.610 -15.807 -21.537 1.00 0.00 H new ATOM 393 N VAL B 27 12.574 -15.147 -21.323 1.00 0.00 N ATOM 394 CA VAL B 27 11.409 -15.873 -20.846 1.00 0.00 C ATOM 395 C VAL B 27 10.139 -15.042 -20.917 1.00 0.00 C ATOM 396 O VAL B 27 9.059 -15.568 -21.173 1.00 0.00 O ATOM 397 CB VAL B 27 11.718 -16.303 -19.425 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.604 -15.157 -18.438 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.787 -17.406 -18.961 1.00 0.00 C ATOM 0 H VAL B 27 12.940 -14.465 -20.659 1.00 0.00 H new ATOM 0 HA VAL B 27 11.217 -16.737 -21.482 1.00 0.00 H new ATOM 0 HB VAL B 27 12.747 -16.662 -19.448 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.835 -15.516 -17.435 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.306 -14.370 -18.712 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.589 -14.760 -18.457 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.038 -17.688 -17.939 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.757 -17.052 -18.997 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.896 -18.272 -19.614 1.00 0.00 H new ATOM 409 N PHE B 28 10.266 -13.735 -20.692 1.00 0.00 N ATOM 410 CA PHE B 28 9.128 -12.840 -20.835 1.00 0.00 C ATOM 411 C PHE B 28 9.057 -12.264 -22.246 1.00 0.00 C ATOM 412 O PHE B 28 8.045 -11.670 -22.615 1.00 0.00 O ATOM 413 CB PHE B 28 9.165 -11.750 -19.770 1.00 0.00 C ATOM 414 CG PHE B 28 8.868 -12.273 -18.387 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.542 -12.403 -17.959 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.917 -12.640 -17.538 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.267 -12.913 -16.686 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.647 -13.156 -16.266 1.00 0.00 C ATOM 419 CZ PHE B 28 8.320 -13.293 -15.840 1.00 0.00 C ATOM 0 H PHE B 28 11.136 -13.280 -20.414 1.00 0.00 H new ATOM 0 HA PHE B 28 8.214 -13.414 -20.681 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.148 -11.280 -19.772 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.441 -10.976 -20.024 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.732 -12.110 -18.611 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.940 -12.525 -17.866 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.244 -13.014 -16.354 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.458 -13.447 -15.615 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.107 -13.692 -14.859 1.00 0.00 H new ATOM 429 N GLY B 29 10.120 -12.436 -23.040 1.00 0.00 N ATOM 430 CA GLY B 29 10.109 -11.992 -24.425 1.00 0.00 C ATOM 431 C GLY B 29 9.285 -12.942 -25.286 1.00 0.00 C ATOM 432 O GLY B 29 9.101 -12.714 -26.480 1.00 0.00 O ATOM 0 H GLY B 29 10.990 -12.877 -22.743 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.695 -10.985 -24.487 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.130 -11.941 -24.804 1.00 0.00 H new ATOM 436 N LYS B 30 8.785 -14.016 -24.667 1.00 0.00 N ATOM 437 CA LYS B 30 7.999 -15.050 -25.314 1.00 0.00 C ATOM 438 C LYS B 30 6.546 -14.622 -25.449 1.00 0.00 C ATOM 439 O LYS B 30 5.776 -15.240 -26.183 1.00 0.00 O ATOM 440 CB LYS B 30 8.096 -16.311 -24.456 1.00 0.00 C ATOM 441 CG LYS B 30 9.560 -16.703 -24.260 1.00 0.00 C ATOM 442 CD LYS B 30 9.738 -17.880 -23.299 1.00 0.00 C ATOM 443 CE LYS B 30 8.893 -19.097 -23.673 1.00 0.00 C ATOM 444 NZ LYS B 30 9.289 -19.647 -24.983 1.00 0.00 N ATOM 0 H LYS B 30 8.925 -14.187 -23.671 1.00 0.00 H new ATOM 0 HA LYS B 30 8.382 -15.235 -26.318 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.625 -16.139 -23.488 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.554 -17.127 -24.933 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.994 -16.960 -25.226 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.113 -15.844 -23.881 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.789 -18.168 -23.279 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.476 -17.560 -22.291 1.00 0.00 H new ATOM 0 HE2 LYS B 30 9.000 -19.865 -22.907 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.840 -18.817 -23.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.719 -20.492 -25.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.131 -18.932 -25.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.296 -19.906 -24.961 1.00 0.00 H new ATOM 458 N TYR B 31 6.185 -13.556 -24.731 1.00 0.00 N ATOM 459 CA TYR B 31 4.825 -13.046 -24.693 1.00 0.00 C ATOM 460 C TYR B 31 4.683 -11.693 -25.389 1.00 0.00 C ATOM 461 O TYR B 31 3.574 -11.310 -25.756 1.00 0.00 O ATOM 462 CB TYR B 31 4.422 -12.943 -23.227 1.00 0.00 C ATOM 463 CG TYR B 31 4.554 -14.250 -22.478 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.625 -15.274 -22.684 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.619 -14.432 -21.578 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.765 -16.496 -22.011 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.760 -15.650 -20.894 1.00 0.00 C ATOM 468 CZ TYR B 31 4.843 -16.695 -21.130 1.00 0.00 C ATOM 469 OH TYR B 31 4.998 -17.899 -20.511 1.00 0.00 O ATOM 0 H TYR B 31 6.838 -13.023 -24.157 1.00 0.00 H new ATOM 0 HA TYR B 31 4.170 -13.727 -25.237 1.00 0.00 H new ATOM 0 HB2 TYR B 31 5.040 -12.189 -22.740 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.390 -12.599 -23.164 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.798 -15.124 -23.362 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.329 -13.635 -21.413 1.00 0.00 H new ATOM 0 HE1 TYR B 31 3.045 -17.285 -22.169 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.568 -15.786 -20.190 1.00 0.00 H new ATOM 0 HH TYR B 31 5.849 -17.910 -20.026 1.00 0.00 H new ATOM 479 N GLY B 32 5.787 -10.965 -25.577 1.00 0.00 N ATOM 480 CA GLY B 32 5.748 -9.655 -26.210 1.00 0.00 C ATOM 481 C GLY B 32 7.127 -9.055 -26.375 1.00 0.00 C ATOM 482 O GLY B 32 8.096 -9.526 -25.779 1.00 0.00 O ATOM 0 H GLY B 32 6.720 -11.267 -25.297 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.272 -9.740 -27.187 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.131 -8.984 -25.613 1.00 0.00 H new ATOM 486 N ARG B 33 7.213 -8.002 -27.192 1.00 0.00 N ATOM 487 CA ARG B 33 8.452 -7.303 -27.398 1.00 0.00 C ATOM 488 C ARG B 33 8.769 -6.494 -26.154 1.00 0.00 C ATOM 489 O ARG B 33 8.026 -5.597 -25.771 1.00 0.00 O ATOM 490 CB ARG B 33 8.326 -6.432 -28.644 1.00 0.00 C ATOM 491 CG ARG B 33 9.730 -6.127 -29.143 1.00 0.00 C ATOM 492 CD ARG B 33 9.691 -5.326 -30.443 1.00 0.00 C ATOM 493 NE ARG B 33 9.109 -6.102 -31.545 1.00 0.00 N ATOM 494 CZ ARG B 33 7.883 -5.919 -32.048 1.00 0.00 C ATOM 495 NH1 ARG B 33 7.062 -4.990 -31.563 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.469 -6.681 -33.057 1.00 0.00 N ATOM 0 H ARG B 33 6.425 -7.625 -27.718 1.00 0.00 H new ATOM 0 HA ARG B 33 9.277 -7.996 -27.562 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.751 -6.947 -29.413 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.794 -5.509 -28.413 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.275 -5.567 -28.383 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.273 -7.059 -29.303 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.109 -4.417 -30.292 1.00 0.00 H new ATOM 0 HD3 ARG B 33 10.702 -5.017 -30.710 1.00 0.00 H new ATOM 0 HE ARG B 33 9.683 -6.837 -31.959 1.00 0.00 H new ATOM 0 HH11 ARG B 33 7.363 -4.397 -30.790 1.00 0.00 H new ATOM 0 HH12 ARG B 33 6.132 -4.871 -31.965 1.00 0.00 H new ATOM 0 HH21 ARG B 33 8.085 -7.398 -33.441 1.00 0.00 H new ATOM 0 HH22 ARG B 33 6.536 -6.548 -33.447 1.00 0.00 H new ATOM 510 N ILE B 34 9.890 -6.835 -25.533 1.00 0.00 N ATOM 511 CA ILE B 34 10.379 -6.154 -24.348 1.00 0.00 C ATOM 512 C ILE B 34 10.980 -4.801 -24.717 1.00 0.00 C ATOM 513 O ILE B 34 11.603 -4.656 -25.768 1.00 0.00 O ATOM 514 CB ILE B 34 11.389 -7.063 -23.645 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.640 -8.303 -23.143 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.075 -6.329 -22.490 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.541 -9.234 -22.334 1.00 0.00 C ATOM 0 H ILE B 34 10.489 -7.600 -25.843 1.00 0.00 H new ATOM 0 HA ILE B 34 9.557 -5.952 -23.662 1.00 0.00 H new ATOM 0 HB ILE B 34 12.173 -7.359 -24.342 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.796 -7.991 -22.527 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.230 -8.847 -23.994 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.788 -6.997 -22.007 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.600 -5.455 -22.875 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.326 -6.012 -21.764 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.966 -10.098 -22.000 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.371 -9.569 -22.957 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.931 -8.700 -21.467 1.00 0.00 H new ATOM 529 N VAL B 35 10.790 -3.813 -23.836 1.00 0.00 N ATOM 530 CA VAL B 35 11.370 -2.485 -23.990 1.00 0.00 C ATOM 531 C VAL B 35 12.316 -2.182 -22.831 1.00 0.00 C ATOM 532 O VAL B 35 13.155 -1.289 -22.939 1.00 0.00 O ATOM 533 CB VAL B 35 10.287 -1.401 -24.101 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.441 -0.693 -25.443 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.857 -1.940 -23.990 1.00 0.00 C ATOM 0 H VAL B 35 10.225 -3.918 -22.993 1.00 0.00 H new ATOM 0 HA VAL B 35 11.937 -2.477 -24.921 1.00 0.00 H new ATOM 0 HB VAL B 35 10.433 -0.723 -23.260 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.678 0.080 -25.536 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.429 -0.237 -25.502 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.326 -1.416 -26.251 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.150 -1.115 -24.078 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.676 -2.660 -24.789 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.726 -2.429 -23.025 1.00 0.00 H new ATOM 545 N GLU B 36 12.185 -2.920 -21.724 1.00 0.00 N ATOM 546 CA GLU B 36 13.060 -2.786 -20.568 1.00 0.00 C ATOM 547 C GLU B 36 12.977 -4.048 -19.712 1.00 0.00 C ATOM 548 O GLU B 36 11.924 -4.676 -19.642 1.00 0.00 O ATOM 549 CB GLU B 36 12.620 -1.566 -19.753 1.00 0.00 C ATOM 550 CG GLU B 36 13.487 -1.345 -18.515 1.00 0.00 C ATOM 551 CD GLU B 36 13.014 -0.117 -17.737 1.00 0.00 C ATOM 552 OE1 GLU B 36 12.002 -0.243 -17.008 1.00 0.00 O ATOM 553 OE2 GLU B 36 13.669 0.940 -17.876 1.00 0.00 O ATOM 0 H GLU B 36 11.462 -3.630 -21.610 1.00 0.00 H new ATOM 0 HA GLU B 36 14.091 -2.653 -20.895 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.660 -0.678 -20.384 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.581 -1.693 -19.447 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.446 -2.226 -17.874 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.528 -1.215 -18.812 1.00 0.00 H new ATOM 560 N VAL B 37 14.080 -4.423 -19.059 1.00 0.00 N ATOM 561 CA VAL B 37 14.069 -5.482 -18.060 1.00 0.00 C ATOM 562 C VAL B 37 14.892 -5.056 -16.858 1.00 0.00 C ATOM 563 O VAL B 37 15.935 -4.417 -16.988 1.00 0.00 O ATOM 564 CB VAL B 37 14.550 -6.827 -18.630 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.192 -7.724 -17.568 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.350 -7.593 -19.182 1.00 0.00 C ATOM 0 H VAL B 37 14.997 -4.002 -19.210 1.00 0.00 H new ATOM 0 HA VAL B 37 13.038 -5.642 -17.744 1.00 0.00 H new ATOM 0 HB VAL B 37 15.290 -6.595 -19.396 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.512 -8.659 -18.027 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.055 -7.217 -17.137 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.466 -7.935 -16.783 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.683 -8.548 -19.588 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.632 -7.770 -18.381 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.877 -7.009 -19.971 1.00 0.00 H new ATOM 576 N LEU B 38 14.391 -5.428 -15.682 1.00 0.00 N ATOM 577 CA LEU B 38 15.058 -5.218 -14.407 1.00 0.00 C ATOM 578 C LEU B 38 15.285 -6.562 -13.750 1.00 0.00 C ATOM 579 O LEU B 38 14.578 -7.529 -14.025 1.00 0.00 O ATOM 580 CB LEU B 38 14.162 -4.361 -13.528 1.00 0.00 C ATOM 581 CG LEU B 38 14.543 -2.880 -13.584 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.427 -2.048 -12.971 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.823 -2.610 -12.801 1.00 0.00 C ATOM 0 H LEU B 38 13.488 -5.895 -15.591 1.00 0.00 H new ATOM 0 HA LEU B 38 16.016 -4.718 -14.552 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.125 -4.480 -13.843 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.224 -4.712 -12.498 1.00 0.00 H new ATOM 0 HG LEU B 38 14.700 -2.613 -14.629 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.697 -0.993 -13.010 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.505 -2.208 -13.530 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.279 -2.346 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.068 -1.550 -12.859 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.678 -2.892 -11.758 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.639 -3.195 -13.225 1.00 0.00 H new ATOM 595 N LEU B 39 16.281 -6.612 -12.872 1.00 0.00 N ATOM 596 CA LEU B 39 16.524 -7.775 -12.059 1.00 0.00 C ATOM 597 C LEU B 39 17.191 -7.274 -10.794 1.00 0.00 C ATOM 598 O LEU B 39 18.262 -6.671 -10.854 1.00 0.00 O ATOM 599 CB LEU B 39 17.406 -8.731 -12.867 1.00 0.00 C ATOM 600 CG LEU B 39 17.849 -10.021 -12.172 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.092 -9.800 -11.323 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.769 -10.671 -11.319 1.00 0.00 C ATOM 0 H LEU B 39 16.934 -5.845 -12.712 1.00 0.00 H new ATOM 0 HA LEU B 39 15.622 -8.322 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.868 -9.003 -13.775 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.299 -8.188 -13.176 1.00 0.00 H new ATOM 0 HG LEU B 39 18.072 -10.709 -12.987 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.377 -10.737 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.908 -9.453 -11.956 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.882 -9.052 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.163 -11.579 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.456 -9.978 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.913 -10.923 -11.945 1.00 0.00 H new ATOM 614 N MET B 40 16.562 -7.521 -9.647 1.00 0.00 N ATOM 615 CA MET B 40 17.045 -6.934 -8.414 1.00 0.00 C ATOM 616 C MET B 40 17.982 -7.902 -7.724 1.00 0.00 C ATOM 617 O MET B 40 17.693 -9.093 -7.665 1.00 0.00 O ATOM 618 CB MET B 40 15.881 -6.502 -7.512 1.00 0.00 C ATOM 619 CG MET B 40 14.740 -5.791 -8.252 1.00 0.00 C ATOM 620 SD MET B 40 15.152 -4.895 -9.773 1.00 0.00 S ATOM 621 CE MET B 40 16.371 -3.703 -9.170 1.00 0.00 C ATOM 0 H MET B 40 15.735 -8.111 -9.552 1.00 0.00 H new ATOM 0 HA MET B 40 17.606 -6.028 -8.642 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.480 -7.382 -7.010 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.264 -5.839 -6.736 1.00 0.00 H new ATOM 0 HG2 MET B 40 13.983 -6.536 -8.496 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.281 -5.085 -7.561 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.065 -2.695 -9.451 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.441 -3.771 -8.084 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.343 -3.923 -9.611 1.00 0.00 H new ATOM 631 N LYS B 41 19.104 -7.396 -7.201 1.00 0.00 N ATOM 632 CA LYS B 41 20.075 -8.222 -6.498 1.00 0.00 C ATOM 633 C LYS B 41 20.761 -7.440 -5.387 1.00 0.00 C ATOM 634 O LYS B 41 20.872 -6.216 -5.446 1.00 0.00 O ATOM 635 CB LYS B 41 21.096 -8.841 -7.458 1.00 0.00 C ATOM 636 CG LYS B 41 21.255 -8.066 -8.759 1.00 0.00 C ATOM 637 CD LYS B 41 22.352 -8.697 -9.615 1.00 0.00 C ATOM 638 CE LYS B 41 22.529 -7.904 -10.911 1.00 0.00 C ATOM 639 NZ LYS B 41 23.112 -6.572 -10.657 1.00 0.00 N ATOM 0 H LYS B 41 19.358 -6.410 -7.255 1.00 0.00 H new ATOM 0 HA LYS B 41 19.528 -9.045 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.063 -8.899 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS B 41 20.794 -9.863 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.313 -8.062 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.503 -7.027 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.290 -8.717 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.095 -9.731 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS B 41 23.173 -8.459 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.564 -7.791 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.406 -6.144 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 22.403 -5.964 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.939 -6.668 -10.034 1.00 0.00 H new ATOM 765 N ARG B 49 17.468 -10.641 -5.419 1.00 0.00 N ATOM 766 CA ARG B 49 16.632 -10.342 -4.261 1.00 0.00 C ATOM 767 C ARG B 49 15.427 -11.277 -4.240 1.00 0.00 C ATOM 768 O ARG B 49 14.678 -11.306 -3.266 1.00 0.00 O ATOM 769 CB ARG B 49 16.136 -8.899 -4.390 1.00 0.00 C ATOM 770 CG ARG B 49 17.254 -7.856 -4.386 1.00 0.00 C ATOM 771 CD ARG B 49 17.563 -7.303 -3.001 1.00 0.00 C ATOM 772 NE ARG B 49 16.430 -6.546 -2.454 1.00 0.00 N ATOM 773 CZ ARG B 49 16.178 -5.271 -2.760 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.979 -4.608 -3.589 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.126 -4.650 -2.240 1.00 0.00 N ATOM 0 HA ARG B 49 17.206 -10.474 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.566 -8.803 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.451 -8.686 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.158 -8.302 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.975 -7.033 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.811 -8.124 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.440 -6.658 -3.054 1.00 0.00 H new ATOM 0 HE ARG B 49 15.801 -7.020 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.791 -5.073 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.781 -3.634 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.504 -5.147 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.940 -3.676 -2.478 1.00 0.00 H new ATOM 789 N GLY B 50 15.251 -12.038 -5.323 1.00 0.00 N ATOM 790 CA GLY B 50 14.122 -12.929 -5.511 1.00 0.00 C ATOM 791 C GLY B 50 12.976 -12.227 -6.234 1.00 0.00 C ATOM 792 O GLY B 50 11.953 -12.855 -6.489 1.00 0.00 O ATOM 0 H GLY B 50 15.907 -12.046 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.436 -13.802 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY B 50 13.776 -13.291 -4.543 1.00 0.00 H new ATOM 796 N PHE B 51 13.121 -10.940 -6.572 1.00 0.00 N ATOM 797 CA PHE B 51 12.105 -10.242 -7.344 1.00 0.00 C ATOM 798 C PHE B 51 12.751 -9.402 -8.443 1.00 0.00 C ATOM 799 O PHE B 51 13.920 -9.029 -8.343 1.00 0.00 O ATOM 800 CB PHE B 51 11.190 -9.418 -6.433 1.00 0.00 C ATOM 801 CG PHE B 51 11.797 -8.153 -5.865 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.675 -8.213 -4.774 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.463 -6.909 -6.421 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.211 -7.031 -4.241 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.983 -5.730 -5.876 1.00 0.00 C ATOM 806 CZ PHE B 51 12.865 -5.793 -4.796 1.00 0.00 C ATOM 0 H PHE B 51 13.929 -10.370 -6.322 1.00 0.00 H new ATOM 0 HA PHE B 51 11.470 -10.979 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.295 -9.149 -6.994 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.869 -10.049 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.939 -9.168 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.802 -6.861 -7.273 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.890 -7.076 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.702 -4.773 -6.290 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.282 -4.884 -4.387 1.00 0.00 H new ATOM 816 N ALA B 52 11.981 -9.110 -9.490 1.00 0.00 N ATOM 817 CA ALA B 52 12.468 -8.385 -10.647 1.00 0.00 C ATOM 818 C ALA B 52 11.313 -7.691 -11.366 1.00 0.00 C ATOM 819 O ALA B 52 10.168 -7.778 -10.923 1.00 0.00 O ATOM 820 CB ALA B 52 13.148 -9.385 -11.582 1.00 0.00 C ATOM 0 H ALA B 52 10.998 -9.374 -9.553 1.00 0.00 H new ATOM 0 HA ALA B 52 13.177 -7.618 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.524 -8.863 -12.462 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.978 -9.863 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.428 -10.143 -11.890 1.00 0.00 H new ATOM 826 N PHE B 53 11.613 -7.007 -12.473 1.00 0.00 N ATOM 827 CA PHE B 53 10.610 -6.286 -13.244 1.00 0.00 C ATOM 828 C PHE B 53 10.893 -6.401 -14.742 1.00 0.00 C ATOM 829 O PHE B 53 12.005 -6.733 -15.145 1.00 0.00 O ATOM 830 CB PHE B 53 10.566 -4.818 -12.807 1.00 0.00 C ATOM 831 CG PHE B 53 10.298 -4.619 -11.339 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.347 -4.760 -10.426 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.010 -4.300 -10.894 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.107 -4.606 -9.057 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.765 -4.146 -9.521 1.00 0.00 C ATOM 836 CZ PHE B 53 9.814 -4.309 -8.604 1.00 0.00 C ATOM 0 H PHE B 53 12.556 -6.940 -12.855 1.00 0.00 H new ATOM 0 HA PHE B 53 9.635 -6.733 -13.053 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.516 -4.347 -13.059 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.794 -4.303 -13.379 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.342 -4.988 -10.778 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.207 -4.173 -11.605 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.916 -4.716 -8.350 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.772 -3.903 -9.171 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.625 -4.205 -7.546 1.00 0.00 H new ATOM 846 N VAL B 54 9.884 -6.123 -15.570 1.00 0.00 N ATOM 847 CA VAL B 54 10.031 -6.121 -17.021 1.00 0.00 C ATOM 848 C VAL B 54 8.973 -5.226 -17.639 1.00 0.00 C ATOM 849 O VAL B 54 7.836 -5.216 -17.179 1.00 0.00 O ATOM 850 CB VAL B 54 9.915 -7.546 -17.575 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.676 -8.266 -17.109 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.956 -7.575 -19.101 1.00 0.00 C ATOM 0 H VAL B 54 8.943 -5.893 -15.250 1.00 0.00 H new ATOM 0 HA VAL B 54 11.018 -5.736 -17.277 1.00 0.00 H new ATOM 0 HB VAL B 54 10.785 -8.069 -17.177 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.655 -9.268 -17.537 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.683 -8.336 -16.021 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.792 -7.715 -17.431 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.871 -8.605 -19.448 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.128 -6.988 -19.498 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.899 -7.152 -19.448 1.00 0.00 H new ATOM 862 N THR B 55 9.339 -4.477 -18.680 1.00 0.00 N ATOM 863 CA THR B 55 8.392 -3.643 -19.403 1.00 0.00 C ATOM 864 C THR B 55 8.179 -4.184 -20.807 1.00 0.00 C ATOM 865 O THR B 55 9.137 -4.386 -21.556 1.00 0.00 O ATOM 866 CB THR B 55 8.854 -2.188 -19.465 1.00 0.00 C ATOM 867 OG1 THR B 55 9.127 -1.714 -18.164 1.00 0.00 O ATOM 868 CG2 THR B 55 7.762 -1.320 -20.083 1.00 0.00 C ATOM 0 H THR B 55 10.293 -4.435 -19.039 1.00 0.00 H new ATOM 0 HA THR B 55 7.447 -3.670 -18.860 1.00 0.00 H new ATOM 0 HB THR B 55 9.756 -2.136 -20.075 1.00 0.00 H new ATOM 0 HG1 THR B 55 8.293 -1.665 -17.652 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.100 -0.284 -20.123 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.546 -1.671 -21.092 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.859 -1.384 -19.476 1.00 0.00 H new ATOM 876 N PHE B 56 6.911 -4.415 -21.152 1.00 0.00 N ATOM 877 CA PHE B 56 6.497 -4.852 -22.475 1.00 0.00 C ATOM 878 C PHE B 56 6.100 -3.668 -23.355 1.00 0.00 C ATOM 879 O PHE B 56 5.721 -2.612 -22.850 1.00 0.00 O ATOM 880 CB PHE B 56 5.306 -5.792 -22.318 1.00 0.00 C ATOM 881 CG PHE B 56 5.665 -7.160 -21.791 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.196 -7.338 -20.503 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.461 -8.264 -22.624 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.529 -8.624 -20.060 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.768 -9.547 -22.170 1.00 0.00 C ATOM 886 CZ PHE B 56 6.289 -9.731 -20.886 1.00 0.00 C ATOM 0 H PHE B 56 6.133 -4.300 -20.503 1.00 0.00 H new ATOM 0 HA PHE B 56 7.332 -5.360 -22.958 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.582 -5.334 -21.645 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.816 -5.904 -23.285 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.347 -6.486 -19.857 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.066 -8.124 -23.619 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.970 -8.763 -19.084 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.603 -10.400 -22.812 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.507 -10.727 -20.530 1.00 0.00 H new ATOM 896 N GLU B 57 6.185 -3.849 -24.679 1.00 0.00 N ATOM 897 CA GLU B 57 5.725 -2.854 -25.627 1.00 0.00 C ATOM 898 C GLU B 57 4.201 -2.786 -25.666 1.00 0.00 C ATOM 899 O GLU B 57 3.655 -1.758 -26.063 1.00 0.00 O ATOM 900 CB GLU B 57 6.268 -3.206 -27.011 1.00 0.00 C ATOM 901 CG GLU B 57 7.687 -2.678 -27.212 1.00 0.00 C ATOM 902 CD GLU B 57 8.079 -2.630 -28.688 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.293 -3.124 -29.526 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.174 -2.094 -28.973 1.00 0.00 O ATOM 0 H GLU B 57 6.574 -4.687 -25.111 1.00 0.00 H new ATOM 0 HA GLU B 57 6.091 -1.875 -25.316 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.261 -4.288 -27.140 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.613 -2.789 -27.776 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.765 -1.679 -26.784 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.389 -3.312 -26.671 1.00 0.00 H new ATOM 911 N SER B 58 3.507 -3.857 -25.259 1.00 0.00 N ATOM 912 CA SER B 58 2.055 -3.834 -25.160 1.00 0.00 C ATOM 913 C SER B 58 1.634 -4.151 -23.736 1.00 0.00 C ATOM 914 O SER B 58 2.240 -5.004 -23.091 1.00 0.00 O ATOM 915 CB SER B 58 1.464 -4.827 -26.156 1.00 0.00 C ATOM 916 OG SER B 58 0.077 -4.979 -25.931 1.00 0.00 O ATOM 0 H SER B 58 3.933 -4.745 -24.995 1.00 0.00 H new ATOM 0 HA SER B 58 1.678 -2.841 -25.406 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.638 -4.479 -27.174 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.963 -5.791 -26.059 1.00 0.00 H new ATOM 0 HG SER B 58 -0.122 -5.919 -25.736 1.00 0.00 H new ATOM 922 N PRO B 59 0.593 -3.473 -23.237 1.00 0.00 N ATOM 923 CA PRO B 59 0.102 -3.670 -21.892 1.00 0.00 C ATOM 924 C PRO B 59 -0.676 -4.975 -21.800 1.00 0.00 C ATOM 925 O PRO B 59 -1.107 -5.342 -20.713 1.00 0.00 O ATOM 926 CB PRO B 59 -0.835 -2.493 -21.646 1.00 0.00 C ATOM 927 CG PRO B 59 -1.436 -2.285 -23.026 1.00 0.00 C ATOM 928 CD PRO B 59 -0.211 -2.474 -23.921 1.00 0.00 C ATOM 0 HA PRO B 59 0.911 -3.722 -21.163 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.595 -2.724 -20.899 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.300 -1.610 -21.295 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.221 -3.009 -23.246 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.877 -1.294 -23.137 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.497 -2.810 -24.918 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.338 -1.540 -24.044 1.00 0.00 H new ATOM 936 N ALA B 60 -0.856 -5.674 -22.927 1.00 0.00 N ATOM 937 CA ALA B 60 -1.610 -6.912 -22.966 1.00 0.00 C ATOM 938 C ALA B 60 -0.715 -8.084 -23.342 1.00 0.00 C ATOM 939 O ALA B 60 -1.096 -9.238 -23.139 1.00 0.00 O ATOM 940 CB ALA B 60 -2.797 -6.759 -23.909 1.00 0.00 C ATOM 0 H ALA B 60 -0.480 -5.390 -23.831 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.000 -7.130 -21.972 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.362 -7.691 -23.937 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.441 -5.954 -23.555 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.438 -6.523 -24.911 1.00 0.00 H new ATOM 946 N ASP B 61 0.476 -7.813 -23.883 1.00 0.00 N ATOM 947 CA ASP B 61 1.471 -8.857 -24.049 1.00 0.00 C ATOM 948 C ASP B 61 2.001 -9.203 -22.663 1.00 0.00 C ATOM 949 O ASP B 61 2.414 -10.334 -22.407 1.00 0.00 O ATOM 950 CB ASP B 61 2.610 -8.350 -24.926 1.00 0.00 C ATOM 951 CG ASP B 61 2.232 -8.207 -26.399 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.074 -8.520 -26.752 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.120 -7.776 -27.169 1.00 0.00 O ATOM 0 H ASP B 61 0.765 -6.890 -24.207 1.00 0.00 H new ATOM 0 HA ASP B 61 1.035 -9.735 -24.526 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.944 -7.383 -24.550 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.455 -9.034 -24.841 1.00 0.00 H new ATOM 958 N ALA B 62 1.982 -8.215 -21.767 1.00 0.00 N ATOM 959 CA ALA B 62 2.355 -8.397 -20.380 1.00 0.00 C ATOM 960 C ALA B 62 1.248 -9.116 -19.619 1.00 0.00 C ATOM 961 O ALA B 62 1.530 -9.823 -18.651 1.00 0.00 O ATOM 962 CB ALA B 62 2.619 -7.030 -19.764 1.00 0.00 C ATOM 0 H ALA B 62 1.703 -7.261 -21.995 1.00 0.00 H new ATOM 0 HA ALA B 62 3.255 -9.009 -20.320 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.901 -7.151 -18.718 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.428 -6.538 -20.304 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.717 -6.422 -19.828 1.00 0.00 H new ATOM 968 N LYS B 63 -0.011 -8.948 -20.039 1.00 0.00 N ATOM 969 CA LYS B 63 -1.122 -9.673 -19.433 1.00 0.00 C ATOM 970 C LYS B 63 -1.037 -11.135 -19.828 1.00 0.00 C ATOM 971 O LYS B 63 -1.329 -12.009 -19.021 1.00 0.00 O ATOM 972 CB LYS B 63 -2.459 -9.108 -19.919 1.00 0.00 C ATOM 973 CG LYS B 63 -2.699 -7.712 -19.350 1.00 0.00 C ATOM 974 CD LYS B 63 -3.950 -7.063 -19.955 1.00 0.00 C ATOM 975 CE LYS B 63 -5.196 -7.901 -19.662 1.00 0.00 C ATOM 976 NZ LYS B 63 -5.538 -7.879 -18.225 1.00 0.00 N ATOM 0 H LYS B 63 -0.281 -8.317 -20.794 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.061 -9.567 -18.350 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.467 -9.068 -21.008 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.270 -9.772 -19.619 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.808 -7.774 -18.267 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.831 -7.084 -19.548 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.077 -6.060 -19.548 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.824 -6.956 -21.032 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -6.036 -7.521 -20.243 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.027 -8.929 -19.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -6.458 -8.341 -18.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -4.807 -8.386 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -5.590 -6.894 -17.896 1.00 0.00 H new ATOM 990 N ASP B 64 -0.638 -11.403 -21.068 1.00 0.00 N ATOM 991 CA ASP B 64 -0.560 -12.765 -21.564 1.00 0.00 C ATOM 992 C ASP B 64 0.566 -13.506 -20.861 1.00 0.00 C ATOM 993 O ASP B 64 0.487 -14.718 -20.674 1.00 0.00 O ATOM 994 CB ASP B 64 -0.304 -12.703 -23.069 1.00 0.00 C ATOM 995 CG ASP B 64 -0.479 -14.070 -23.727 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.598 -14.621 -23.626 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.508 -14.551 -24.325 1.00 0.00 O ATOM 0 H ASP B 64 -0.364 -10.691 -21.745 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.489 -13.299 -21.367 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -0.989 -11.989 -23.526 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.706 -12.337 -23.252 1.00 0.00 H new ATOM 1002 N ALA B 65 1.609 -12.774 -20.468 1.00 0.00 N ATOM 1003 CA ALA B 65 2.682 -13.337 -19.667 1.00 0.00 C ATOM 1004 C ALA B 65 2.212 -13.491 -18.224 1.00 0.00 C ATOM 1005 O ALA B 65 2.411 -14.533 -17.611 1.00 0.00 O ATOM 1006 CB ALA B 65 3.909 -12.431 -19.724 1.00 0.00 C ATOM 0 H ALA B 65 1.728 -11.787 -20.695 1.00 0.00 H new ATOM 0 HA ALA B 65 2.952 -14.316 -20.064 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.708 -12.862 -19.120 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.245 -12.338 -20.757 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.652 -11.446 -19.336 1.00 0.00 H new ATOM 1012 N ALA B 66 1.581 -12.453 -17.674 1.00 0.00 N ATOM 1013 CA ALA B 66 1.142 -12.453 -16.293 1.00 0.00 C ATOM 1014 C ALA B 66 -0.016 -13.437 -16.078 1.00 0.00 C ATOM 1015 O ALA B 66 -0.404 -13.706 -14.943 1.00 0.00 O ATOM 1016 CB ALA B 66 0.745 -11.020 -15.921 1.00 0.00 C ATOM 0 H ALA B 66 1.364 -11.594 -18.179 1.00 0.00 H new ATOM 0 HA ALA B 66 1.951 -12.787 -15.644 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.410 -10.993 -14.884 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.605 -10.361 -16.042 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.063 -10.686 -16.572 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.560 -13.974 -17.172 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.584 -15.013 -17.162 1.00 0.00 C ATOM 1024 C ARG B 67 -1.006 -16.394 -17.461 1.00 0.00 C ATOM 1025 O ARG B 67 -1.768 -17.345 -17.617 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.676 -14.645 -18.173 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.486 -13.453 -17.653 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.385 -12.863 -18.738 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.335 -13.861 -19.243 1.00 0.00 N ATOM 1030 CZ ARG B 67 -5.927 -13.793 -20.440 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -5.685 -12.778 -21.268 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -6.772 -14.750 -20.814 1.00 0.00 N ATOM 0 H ARG B 67 -0.291 -13.688 -18.113 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.012 -15.068 -16.161 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.226 -14.398 -19.135 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.333 -15.498 -18.338 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.096 -13.769 -16.807 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.806 -12.684 -17.286 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.930 -12.009 -18.337 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.772 -12.493 -19.560 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.558 -14.656 -18.644 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -5.040 -12.038 -20.992 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.145 -12.741 -22.178 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -6.966 -15.532 -20.188 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -7.226 -14.702 -21.726 1.00 0.00 H new ATOM 1046 N ASP B 68 0.322 -16.530 -17.545 1.00 0.00 N ATOM 1047 CA ASP B 68 0.951 -17.783 -17.911 1.00 0.00 C ATOM 1048 C ASP B 68 2.053 -18.093 -16.919 1.00 0.00 C ATOM 1049 O ASP B 68 2.102 -19.164 -16.317 1.00 0.00 O ATOM 1050 CB ASP B 68 1.606 -17.567 -19.268 1.00 0.00 C ATOM 1051 CG ASP B 68 0.817 -18.216 -20.403 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.369 -17.858 -20.572 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.409 -19.075 -21.093 1.00 0.00 O ATOM 0 H ASP B 68 0.980 -15.773 -17.360 1.00 0.00 H new ATOM 0 HA ASP B 68 0.221 -18.592 -17.927 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.698 -16.498 -19.458 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.616 -17.976 -19.251 1.00 0.00 H new ATOM 1058 N MET B 69 2.928 -17.103 -16.778 1.00 0.00 N ATOM 1059 CA MET B 69 4.112 -17.126 -15.959 1.00 0.00 C ATOM 1060 C MET B 69 3.789 -16.907 -14.486 1.00 0.00 C ATOM 1061 O MET B 69 4.656 -17.090 -13.632 1.00 0.00 O ATOM 1062 CB MET B 69 5.000 -16.020 -16.503 1.00 0.00 C ATOM 1063 CG MET B 69 5.785 -16.463 -17.730 1.00 0.00 C ATOM 1064 SD MET B 69 6.787 -17.961 -17.513 1.00 0.00 S ATOM 1065 CE MET B 69 7.622 -17.511 -15.972 1.00 0.00 C ATOM 0 H MET B 69 2.813 -16.215 -17.266 1.00 0.00 H new ATOM 0 HA MET B 69 4.604 -18.098 -16.002 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.386 -15.156 -16.759 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.694 -15.699 -15.726 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.084 -16.630 -18.548 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.442 -15.648 -18.034 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.460 -18.186 -15.802 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.989 -16.487 -16.043 1.00 0.00 H new ATOM 0 HE3 MET B 69 6.920 -17.588 -15.142 1.00 0.00 H new ATOM 1075 N ASN B 70 2.552 -16.518 -14.168 1.00 0.00 N ATOM 1076 CA ASN B 70 2.133 -16.354 -12.792 1.00 0.00 C ATOM 1077 C ASN B 70 1.784 -17.724 -12.214 1.00 0.00 C ATOM 1078 O ASN B 70 0.861 -18.387 -12.686 1.00 0.00 O ATOM 1079 CB ASN B 70 0.956 -15.378 -12.748 1.00 0.00 C ATOM 1080 CG ASN B 70 0.483 -15.094 -11.331 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.147 -15.440 -10.357 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.674 -14.456 -11.207 1.00 0.00 N ATOM 0 H ASN B 70 1.827 -16.312 -14.855 1.00 0.00 H new ATOM 0 HA ASN B 70 2.931 -15.935 -12.180 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.247 -14.442 -13.224 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.128 -15.786 -13.328 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -1.039 -14.238 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.198 -14.184 -12.039 1.00 0.00 H new ATOM 1089 N GLY B 71 2.527 -18.144 -11.189 1.00 0.00 N ATOM 1090 CA GLY B 71 2.314 -19.417 -10.519 1.00 0.00 C ATOM 1091 C GLY B 71 3.252 -20.513 -11.027 1.00 0.00 C ATOM 1092 O GLY B 71 3.244 -21.614 -10.478 1.00 0.00 O ATOM 0 H GLY B 71 3.299 -17.602 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.459 -19.288 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.281 -19.732 -10.665 1.00 0.00 H new ATOM 1096 N LYS B 72 4.058 -20.238 -12.059 1.00 0.00 N ATOM 1097 CA LYS B 72 5.031 -21.183 -12.577 1.00 0.00 C ATOM 1098 C LYS B 72 6.449 -20.794 -12.211 1.00 0.00 C ATOM 1099 O LYS B 72 6.669 -19.757 -11.602 1.00 0.00 O ATOM 1100 CB LYS B 72 4.831 -21.386 -14.058 1.00 0.00 C ATOM 1101 CG LYS B 72 4.920 -20.143 -14.914 1.00 0.00 C ATOM 1102 CD LYS B 72 4.779 -20.660 -16.341 1.00 0.00 C ATOM 1103 CE LYS B 72 6.088 -21.273 -16.844 1.00 0.00 C ATOM 1104 NZ LYS B 72 5.962 -21.721 -18.243 1.00 0.00 N ATOM 0 H LYS B 72 4.047 -19.347 -12.555 1.00 0.00 H new ATOM 0 HA LYS B 72 4.865 -22.148 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.575 -22.100 -14.411 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.853 -21.841 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS B 72 4.131 -19.433 -14.668 1.00 0.00 H new ATOM 0 HG3 LYS B 72 5.869 -19.627 -14.769 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.986 -21.407 -16.382 1.00 0.00 H new ATOM 0 HD3 LYS B 72 4.482 -19.843 -16.998 1.00 0.00 H new ATOM 0 HE2 LYS B 72 6.890 -20.540 -16.765 1.00 0.00 H new ATOM 0 HE3 LYS B 72 6.364 -22.117 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 6.864 -22.132 -18.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 5.212 -22.438 -18.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 5.722 -20.909 -18.847 1.00 0.00 H new ATOM 1118 N SER B 73 7.419 -21.630 -12.580 1.00 0.00 N ATOM 1119 CA SER B 73 8.787 -21.502 -12.118 1.00 0.00 C ATOM 1120 C SER B 73 9.707 -20.790 -13.096 1.00 0.00 C ATOM 1121 O SER B 73 9.471 -20.752 -14.303 1.00 0.00 O ATOM 1122 CB SER B 73 9.289 -22.909 -11.791 1.00 0.00 C ATOM 1123 OG SER B 73 10.662 -22.907 -11.472 1.00 0.00 O ATOM 0 H SER B 73 7.270 -22.417 -13.211 1.00 0.00 H new ATOM 0 HA SER B 73 8.799 -20.864 -11.234 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.721 -23.314 -10.954 1.00 0.00 H new ATOM 0 HB3 SER B 73 9.113 -23.566 -12.643 1.00 0.00 H new ATOM 0 HG SER B 73 11.024 -23.811 -11.579 1.00 0.00 H new ATOM 1129 N LEU B 74 10.772 -20.226 -12.520 1.00 0.00 N ATOM 1130 CA LEU B 74 11.876 -19.631 -13.239 1.00 0.00 C ATOM 1131 C LEU B 74 13.147 -20.259 -12.714 1.00 0.00 C ATOM 1132 O LEU B 74 13.394 -20.209 -11.510 1.00 0.00 O ATOM 1133 CB LEU B 74 11.973 -18.126 -12.980 1.00 0.00 C ATOM 1134 CG LEU B 74 12.322 -17.327 -14.235 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.523 -17.870 -15.005 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.110 -17.320 -15.155 1.00 0.00 C ATOM 0 H LEU B 74 10.883 -20.175 -11.507 1.00 0.00 H new ATOM 0 HA LEU B 74 11.728 -19.796 -14.306 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.023 -17.769 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.729 -17.942 -12.217 1.00 0.00 H new ATOM 0 HG LEU B 74 12.595 -16.325 -13.905 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.705 -17.248 -15.881 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.403 -17.858 -14.362 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.320 -18.893 -15.322 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.341 -16.753 -16.057 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.853 -18.344 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.267 -16.857 -14.642 1.00 0.00 H new ATOM 1148 N ASP B 75 13.940 -20.843 -13.609 1.00 0.00 N ATOM 1149 CA ASP B 75 15.189 -21.502 -13.279 1.00 0.00 C ATOM 1150 C ASP B 75 15.042 -22.696 -12.341 1.00 0.00 C ATOM 1151 O ASP B 75 15.894 -23.582 -12.331 1.00 0.00 O ATOM 1152 CB ASP B 75 16.133 -20.456 -12.678 1.00 0.00 C ATOM 1153 CG ASP B 75 17.600 -20.811 -12.911 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.093 -21.737 -12.234 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.215 -20.148 -13.774 1.00 0.00 O ATOM 0 H ASP B 75 13.722 -20.869 -14.605 1.00 0.00 H new ATOM 0 HA ASP B 75 15.593 -21.921 -14.201 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.921 -19.481 -13.117 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.946 -20.371 -11.608 1.00 0.00 H new ATOM 1160 N GLY B 76 13.969 -22.732 -11.555 1.00 0.00 N ATOM 1161 CA GLY B 76 13.736 -23.808 -10.630 1.00 0.00 C ATOM 1162 C GLY B 76 12.803 -23.422 -9.482 1.00 0.00 C ATOM 1163 O GLY B 76 12.358 -24.302 -8.745 1.00 0.00 O ATOM 0 H GLY B 76 13.246 -22.013 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.310 -24.655 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.690 -24.139 -10.219 1.00 0.00 H new ATOM 1167 N LYS B 77 12.504 -22.123 -9.322 1.00 0.00 N ATOM 1168 CA LYS B 77 11.693 -21.626 -8.218 1.00 0.00 C ATOM 1169 C LYS B 77 10.404 -21.005 -8.740 1.00 0.00 C ATOM 1170 O LYS B 77 10.430 -20.253 -9.709 1.00 0.00 O ATOM 1171 CB LYS B 77 12.501 -20.616 -7.393 1.00 0.00 C ATOM 1172 CG LYS B 77 13.886 -21.152 -7.018 1.00 0.00 C ATOM 1173 CD LYS B 77 13.813 -22.427 -6.176 1.00 0.00 C ATOM 1174 CE LYS B 77 15.198 -23.065 -6.059 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.180 -22.151 -5.443 1.00 0.00 N ATOM 0 H LYS B 77 12.822 -21.393 -9.960 1.00 0.00 H new ATOM 0 HA LYS B 77 11.421 -22.460 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.612 -19.692 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS B 77 11.951 -20.368 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.453 -21.353 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.431 -20.386 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.427 -22.194 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.117 -23.132 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.128 -23.976 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.547 -23.357 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.974 -22.702 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.534 -21.487 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 15.725 -21.619 -4.674 1.00 0.00 H new ATOM 1189 N ALA B 78 9.279 -21.318 -8.097 1.00 0.00 N ATOM 1190 CA ALA B 78 7.962 -20.841 -8.511 1.00 0.00 C ATOM 1191 C ALA B 78 7.846 -19.332 -8.317 1.00 0.00 C ATOM 1192 O ALA B 78 8.334 -18.802 -7.321 1.00 0.00 O ATOM 1193 CB ALA B 78 6.886 -21.585 -7.725 1.00 0.00 C ATOM 0 H ALA B 78 9.257 -21.913 -7.269 1.00 0.00 H new ATOM 0 HA ALA B 78 7.824 -21.042 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.902 -21.231 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA B 78 6.965 -22.654 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.022 -21.402 -6.659 1.00 0.00 H new ATOM 1199 N ILE B 79 7.201 -18.640 -9.263 1.00 0.00 N ATOM 1200 CA ILE B 79 7.108 -17.183 -9.216 1.00 0.00 C ATOM 1201 C ILE B 79 5.684 -16.649 -9.297 1.00 0.00 C ATOM 1202 O ILE B 79 4.730 -17.385 -9.546 1.00 0.00 O ATOM 1203 CB ILE B 79 7.956 -16.539 -10.320 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.358 -16.741 -11.719 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.374 -17.100 -10.285 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.939 -15.739 -12.712 1.00 0.00 C ATOM 0 H ILE B 79 6.739 -19.067 -10.066 1.00 0.00 H new ATOM 0 HA ILE B 79 7.496 -16.907 -8.236 1.00 0.00 H new ATOM 0 HB ILE B 79 7.971 -15.467 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.559 -17.756 -12.061 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.275 -16.628 -11.675 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.968 -16.637 -11.073 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.826 -16.887 -9.316 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.343 -18.178 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.498 -15.904 -13.695 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.715 -14.725 -12.379 1.00 0.00 H new ATOM 0 HD13 ILE B 79 9.019 -15.871 -12.772 1.00 0.00 H new ATOM 1218 N LYS B 80 5.575 -15.333 -9.084 1.00 0.00 N ATOM 1219 CA LYS B 80 4.374 -14.538 -9.258 1.00 0.00 C ATOM 1220 C LYS B 80 4.626 -13.545 -10.382 1.00 0.00 C ATOM 1221 O LYS B 80 5.742 -13.042 -10.515 1.00 0.00 O ATOM 1222 CB LYS B 80 4.065 -13.766 -7.973 1.00 0.00 C ATOM 1223 CG LYS B 80 2.695 -13.085 -8.064 1.00 0.00 C ATOM 1224 CD LYS B 80 2.489 -12.133 -6.888 1.00 0.00 C ATOM 1225 CE LYS B 80 1.119 -11.450 -6.964 1.00 0.00 C ATOM 1226 NZ LYS B 80 0.018 -12.422 -6.803 1.00 0.00 N ATOM 0 H LYS B 80 6.368 -14.774 -8.770 1.00 0.00 H new ATOM 0 HA LYS B 80 3.531 -15.187 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.082 -14.446 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.838 -13.017 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.618 -12.535 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.908 -13.839 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.573 -12.684 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.275 -11.378 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.048 -10.687 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS B 80 1.018 -10.940 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -0.879 -11.912 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -0.044 -13.020 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.201 -13.019 -5.971 1.00 0.00 H new ATOM 1240 N VAL B 81 3.602 -13.258 -11.186 1.00 0.00 N ATOM 1241 CA VAL B 81 3.691 -12.238 -12.218 1.00 0.00 C ATOM 1242 C VAL B 81 2.424 -11.399 -12.182 1.00 0.00 C ATOM 1243 O VAL B 81 1.316 -11.931 -12.178 1.00 0.00 O ATOM 1244 CB VAL B 81 3.932 -12.859 -13.590 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.069 -11.760 -14.640 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.225 -13.669 -13.573 1.00 0.00 C ATOM 0 H VAL B 81 2.696 -13.725 -11.137 1.00 0.00 H new ATOM 0 HA VAL B 81 4.547 -11.591 -12.025 1.00 0.00 H new ATOM 0 HB VAL B 81 3.088 -13.505 -13.831 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.241 -12.210 -15.618 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.154 -11.168 -14.669 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.910 -11.115 -14.384 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.391 -14.110 -14.556 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.061 -13.015 -13.323 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.148 -14.461 -12.828 1.00 0.00 H new ATOM 1256 N GLU B 82 2.600 -10.077 -12.155 1.00 0.00 N ATOM 1257 CA GLU B 82 1.500 -9.136 -12.004 1.00 0.00 C ATOM 1258 C GLU B 82 1.964 -7.768 -12.494 1.00 0.00 C ATOM 1259 O GLU B 82 3.162 -7.549 -12.637 1.00 0.00 O ATOM 1260 CB GLU B 82 1.140 -9.086 -10.514 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.126 -8.277 -10.230 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.492 -8.368 -8.751 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -0.011 -7.506 -7.980 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.248 -9.302 -8.399 1.00 0.00 O ATOM 0 H GLU B 82 3.514 -9.632 -12.238 1.00 0.00 H new ATOM 0 HA GLU B 82 0.626 -9.436 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.005 -10.103 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.973 -8.653 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.030 -7.235 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.949 -8.651 -10.839 1.00 0.00 H new ATOM 1271 N GLN B 83 1.047 -6.834 -12.757 1.00 0.00 N ATOM 1272 CA GLN B 83 1.448 -5.471 -13.067 1.00 0.00 C ATOM 1273 C GLN B 83 2.149 -4.912 -11.829 1.00 0.00 C ATOM 1274 O GLN B 83 1.655 -5.055 -10.709 1.00 0.00 O ATOM 1275 CB GLN B 83 0.215 -4.654 -13.463 1.00 0.00 C ATOM 1276 CG GLN B 83 0.405 -3.141 -13.342 1.00 0.00 C ATOM 1277 CD GLN B 83 1.368 -2.525 -14.350 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.442 -2.939 -15.503 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.112 -1.517 -13.895 1.00 0.00 N ATOM 0 H GLN B 83 0.040 -6.997 -12.761 1.00 0.00 H new ATOM 0 HA GLN B 83 2.136 -5.429 -13.912 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.053 -4.895 -14.492 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.624 -4.956 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.567 -2.659 -13.451 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.762 -2.915 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.015 -1.208 -12.928 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.778 -1.055 -14.514 1.00 0.00 H new ATOM 1288 N ALA B 84 3.301 -4.276 -12.028 1.00 0.00 N ATOM 1289 CA ALA B 84 4.128 -3.810 -10.931 1.00 0.00 C ATOM 1290 C ALA B 84 3.579 -2.534 -10.309 1.00 0.00 C ATOM 1291 O ALA B 84 2.820 -1.797 -10.938 1.00 0.00 O ATOM 1292 CB ALA B 84 5.546 -3.570 -11.441 1.00 0.00 C ATOM 0 H ALA B 84 3.681 -4.072 -12.952 1.00 0.00 H new ATOM 0 HA ALA B 84 4.130 -4.577 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.173 -3.219 -10.621 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.953 -4.501 -11.837 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.527 -2.818 -12.230 1.00 0.00 H new ATOM 1298 N THR B 85 3.983 -2.280 -9.063 1.00 0.00 N ATOM 1299 CA THR B 85 3.698 -1.024 -8.390 1.00 0.00 C ATOM 1300 C THR B 85 5.000 -0.291 -8.104 1.00 0.00 C ATOM 1301 O THR B 85 6.087 -0.850 -8.240 1.00 0.00 O ATOM 1302 CB THR B 85 2.920 -1.234 -7.090 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.679 -2.005 -6.184 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.592 -1.945 -7.347 1.00 0.00 C ATOM 0 H THR B 85 4.516 -2.942 -8.498 1.00 0.00 H new ATOM 0 HA THR B 85 3.072 -0.425 -9.052 1.00 0.00 H new ATOM 0 HB THR B 85 2.720 -0.250 -6.667 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.171 -2.131 -5.356 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.063 -2.079 -6.404 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.983 -1.345 -8.023 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.782 -2.919 -7.798 1.00 0.00 H new