USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 774 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 79 GLN : amide:sc= 0.746 K(o=1.8,f=-3) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 154:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 77 HIS : no HE2:sc= 0.102 K(o=0.2,f=-0.83) USER MOD Set 2.2: B 159 THR OG1 : rot 180:sc= 0.0981 USER MOD Set 3.1: A 30 THR OG1 : rot 40:sc= -0.275 USER MOD Set 3.2: A 44 LYS NZ :NH3+ 148:sc= 0.935 (180deg=-0.354) USER MOD Set 3.3: A 45 SER OG : rot 180:sc= -0.17 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -115:sc= -0.116 (180deg=-0.51) USER MOD Set 4.2: A 92 SER OG : rot -179:sc= -1.03 USER MOD Single : A 5 THR OG1 : rot -41:sc= 0.725 USER MOD Single : A 7 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.246 (180deg=-0.835) USER MOD Single : A 17 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-6.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -6.84! (180deg=-7.01!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 173:sc= -1.25 (180deg=-1.63) USER MOD Single : A 60 THR OG1 : rot 170:sc= -0.0751 USER MOD Single : A 66 SER OG : rot -135:sc= 0.906 USER MOD Single : A 68 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.19) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 71 CYS SG : rot -130:sc= -1.4 USER MOD Single : A 75 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-5.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.913 K(o=-0.91,f=-2.3!) USER MOD Single : A 86 SER OG : rot 82:sc= 1.28 USER MOD Single : A 98 CYS SG : rot -146:sc= 0.72 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.379 USER MOD Single : B 160 GLN : amide:sc= -0.682 K(o=-0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 111.281 12.780 -5.141 1.00 0.00 N ATOM 121 CA THR A 5 110.270 13.687 -4.687 1.00 0.00 C ATOM 122 C THR A 5 109.381 12.993 -3.680 1.00 0.00 C ATOM 123 O THR A 5 108.200 13.324 -3.522 1.00 0.00 O ATOM 124 CB THR A 5 109.482 14.366 -5.846 1.00 0.00 C ATOM 125 OG1 THR A 5 108.519 15.314 -5.335 1.00 0.00 O ATOM 126 CG2 THR A 5 108.782 13.350 -6.738 1.00 0.00 C ATOM 0 HA THR A 5 110.762 14.520 -4.185 1.00 0.00 H new ATOM 0 HB THR A 5 110.217 14.896 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.086 14.943 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 5 108.246 13.871 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.522 12.681 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 5 108.076 12.769 -6.144 1.00 0.00 H new ATOM 134 N ARG A 6 110.004 12.034 -2.954 1.00 0.00 N ATOM 135 CA ARG A 6 109.378 11.223 -1.911 1.00 0.00 C ATOM 136 C ARG A 6 108.066 10.653 -2.352 1.00 0.00 C ATOM 137 O ARG A 6 107.052 10.664 -1.671 1.00 0.00 O ATOM 138 CB ARG A 6 109.370 11.936 -0.567 1.00 0.00 C ATOM 139 CG ARG A 6 108.729 13.295 -0.535 1.00 0.00 C ATOM 140 CD ARG A 6 107.254 13.239 -0.218 1.00 0.00 C ATOM 141 NE ARG A 6 107.004 12.795 1.161 1.00 0.00 N ATOM 142 CZ ARG A 6 106.171 11.822 1.543 1.00 0.00 C ATOM 143 NH1 ARG A 6 105.558 11.059 0.642 1.00 0.00 N ATOM 144 NH2 ARG A 6 105.989 11.596 2.833 1.00 0.00 N ATOM 0 H ARG A 6 110.988 11.805 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 6 109.999 10.343 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.857 11.300 0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 6 110.401 12.036 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 6 109.233 13.912 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 6 108.870 13.781 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 6 106.813 14.225 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 6 106.759 12.560 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 6 107.517 13.277 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 6 105.721 11.213 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 6 104.925 10.320 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 6 106.482 12.161 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 6 105.356 10.856 3.137 1.00 0.00 H new ATOM 158 N ASN A 7 108.089 10.240 -3.529 1.00 0.00 N ATOM 159 CA ASN A 7 106.955 9.592 -4.133 1.00 0.00 C ATOM 160 C ASN A 7 107.190 8.114 -4.403 1.00 0.00 C ATOM 161 O ASN A 7 107.996 7.724 -5.240 1.00 0.00 O ATOM 162 CB ASN A 7 106.533 10.294 -5.424 1.00 0.00 C ATOM 163 CG ASN A 7 105.549 11.440 -5.225 1.00 0.00 C ATOM 164 OD1 ASN A 7 104.718 11.705 -6.089 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.621 12.117 -4.119 1.00 0.00 N ATOM 0 H ASN A 7 108.898 10.327 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 7 106.148 9.668 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 7 107.423 10.678 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 7 106.085 9.559 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.977 12.890 -3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.321 11.875 -3.418 1.00 0.00 H new ATOM 172 N PRO A 8 106.438 7.237 -3.720 1.00 0.00 N ATOM 173 CA PRO A 8 106.474 5.795 -4.015 1.00 0.00 C ATOM 174 C PRO A 8 106.119 5.583 -5.436 1.00 0.00 C ATOM 175 O PRO A 8 106.572 4.692 -6.121 1.00 0.00 O ATOM 176 CB PRO A 8 105.279 5.268 -3.301 1.00 0.00 C ATOM 177 CG PRO A 8 104.760 6.305 -2.383 1.00 0.00 C ATOM 178 CD PRO A 8 105.537 7.549 -2.584 1.00 0.00 C ATOM 0 HA PRO A 8 107.440 5.359 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.509 4.983 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.542 4.370 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.702 6.485 -2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.843 5.970 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.886 8.393 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 8 106.101 7.815 -1.690 1.00 0.00 H new ATOM 186 N SER A 9 105.245 6.402 -5.799 1.00 0.00 N ATOM 187 CA SER A 9 104.644 6.434 -7.001 1.00 0.00 C ATOM 188 C SER A 9 105.594 6.986 -8.134 1.00 0.00 C ATOM 189 O SER A 9 105.313 6.805 -9.327 1.00 0.00 O ATOM 190 CB SER A 9 103.434 7.267 -6.771 1.00 0.00 C ATOM 191 OG SER A 9 102.595 6.656 -5.800 1.00 0.00 O ATOM 0 H SER A 9 104.910 7.139 -5.178 1.00 0.00 H new ATOM 0 HA SER A 9 104.381 5.443 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 9 103.727 8.262 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.888 7.394 -7.706 1.00 0.00 H new ATOM 0 HG SER A 9 101.802 7.214 -5.655 1.00 0.00 H new ATOM 197 N GLU A 10 106.723 7.654 -7.749 1.00 0.00 N ATOM 198 CA GLU A 10 107.716 8.106 -8.744 1.00 0.00 C ATOM 199 C GLU A 10 108.566 6.913 -9.076 1.00 0.00 C ATOM 200 O GLU A 10 109.097 6.781 -10.189 1.00 0.00 O ATOM 201 CB GLU A 10 108.607 9.279 -8.239 1.00 0.00 C ATOM 202 CG GLU A 10 109.652 8.923 -7.185 1.00 0.00 C ATOM 203 CD GLU A 10 110.311 10.119 -6.605 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.904 10.887 -7.370 1.00 0.00 O ATOM 205 OE2 GLU A 10 110.206 10.341 -5.360 1.00 0.00 O ATOM 0 H GLU A 10 106.954 7.881 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 10 107.193 8.496 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 10 109.119 9.714 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.957 10.052 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 10 109.177 8.352 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 110.408 8.278 -7.632 1.00 0.00 H new ATOM 212 N LEU A 11 108.701 6.050 -8.075 1.00 0.00 N ATOM 213 CA LEU A 11 109.317 4.775 -8.256 1.00 0.00 C ATOM 214 C LEU A 11 108.422 3.964 -9.156 1.00 0.00 C ATOM 215 O LEU A 11 107.190 3.989 -9.027 1.00 0.00 O ATOM 216 CB LEU A 11 109.498 4.087 -6.916 1.00 0.00 C ATOM 217 CG LEU A 11 110.456 4.768 -5.948 1.00 0.00 C ATOM 218 CD1 LEU A 11 110.351 4.118 -4.599 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.883 4.659 -6.460 1.00 0.00 C ATOM 0 H LEU A 11 108.382 6.230 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 11 110.304 4.883 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 108.523 4.005 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.852 3.072 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 11 110.191 5.822 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 11 111.037 4.605 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 11 109.331 4.214 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.609 3.062 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 11 112.559 5.149 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 112.157 3.608 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.958 5.141 -7.435 1.00 0.00 H new ATOM 231 N LYS A 12 109.024 3.291 -10.067 1.00 0.00 N ATOM 232 CA LYS A 12 108.299 2.551 -11.080 1.00 0.00 C ATOM 233 C LYS A 12 107.851 1.185 -10.591 1.00 0.00 C ATOM 234 O LYS A 12 108.123 0.787 -9.462 1.00 0.00 O ATOM 235 CB LYS A 12 109.114 2.387 -12.365 1.00 0.00 C ATOM 236 CG LYS A 12 110.404 1.629 -12.164 1.00 0.00 C ATOM 237 CD LYS A 12 110.694 0.669 -13.314 1.00 0.00 C ATOM 238 CE LYS A 12 109.728 -0.516 -13.336 1.00 0.00 C ATOM 239 NZ LYS A 12 109.931 -1.383 -14.508 1.00 0.00 N ATOM 0 H LYS A 12 110.039 3.226 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 12 107.413 3.147 -11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.508 1.868 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.340 3.373 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 12 111.228 2.336 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.353 1.069 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 12 110.627 1.207 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.716 0.300 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 12 109.856 -1.103 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.703 -0.146 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.253 -2.171 -14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 109.783 -0.832 -15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 110.900 -1.759 -14.498 1.00 0.00 H new ATOM 253 N GLY A 13 107.187 0.474 -11.469 1.00 0.00 N ATOM 254 CA GLY A 13 106.706 -0.831 -11.171 1.00 0.00 C ATOM 255 C GLY A 13 105.376 -0.786 -10.499 1.00 0.00 C ATOM 256 O GLY A 13 104.449 -0.101 -10.959 1.00 0.00 O ATOM 0 H GLY A 13 106.970 0.796 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.630 -1.410 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.421 -1.345 -10.529 1.00 0.00 H new ATOM 260 N LYS A 14 105.281 -1.475 -9.424 1.00 0.00 N ATOM 261 CA LYS A 14 104.065 -1.592 -8.687 1.00 0.00 C ATOM 262 C LYS A 14 104.284 -1.203 -7.251 1.00 0.00 C ATOM 263 O LYS A 14 105.327 -1.462 -6.692 1.00 0.00 O ATOM 264 CB LYS A 14 103.516 -3.008 -8.828 1.00 0.00 C ATOM 265 CG LYS A 14 104.519 -4.084 -8.504 1.00 0.00 C ATOM 266 CD LYS A 14 104.459 -5.264 -9.472 1.00 0.00 C ATOM 267 CE LYS A 14 103.198 -6.149 -9.328 1.00 0.00 C ATOM 268 NZ LYS A 14 101.944 -5.510 -9.806 1.00 0.00 N ATOM 0 H LYS A 14 106.062 -1.989 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 14 103.320 -0.906 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 14 102.653 -3.120 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.161 -3.150 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.521 -3.656 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.344 -4.443 -7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 14 104.506 -4.883 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 14 105.342 -5.885 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 14 103.354 -7.075 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 14 103.077 -6.420 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 101.237 -6.244 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 101.577 -4.873 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 102.139 -4.965 -10.670 1.00 0.00 H new ATOM 282 N PHE A 15 103.308 -0.606 -6.682 1.00 0.00 N ATOM 283 CA PHE A 15 103.362 -0.082 -5.365 1.00 0.00 C ATOM 284 C PHE A 15 102.420 -0.893 -4.516 1.00 0.00 C ATOM 285 O PHE A 15 101.196 -0.855 -4.708 1.00 0.00 O ATOM 286 CB PHE A 15 102.943 1.384 -5.435 1.00 0.00 C ATOM 287 CG PHE A 15 102.883 2.145 -4.139 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.535 1.706 -2.999 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.164 3.314 -4.084 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.462 2.429 -1.824 1.00 0.00 C ATOM 291 CE2 PHE A 15 102.088 4.048 -2.927 1.00 0.00 C ATOM 292 CZ PHE A 15 102.735 3.608 -1.790 1.00 0.00 C ATOM 0 H PHE A 15 102.407 -0.461 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 15 104.359 -0.138 -4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.635 1.902 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.959 1.432 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.106 0.790 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.649 3.662 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.969 2.077 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.523 4.968 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.675 4.181 -0.877 1.00 0.00 H new ATOM 302 N ILE A 16 102.973 -1.624 -3.618 1.00 0.00 N ATOM 303 CA ILE A 16 102.228 -2.513 -2.789 1.00 0.00 C ATOM 304 C ILE A 16 102.518 -2.270 -1.328 1.00 0.00 C ATOM 305 O ILE A 16 103.576 -1.765 -0.962 1.00 0.00 O ATOM 306 CB ILE A 16 102.423 -4.034 -3.130 1.00 0.00 C ATOM 307 CG1 ILE A 16 103.914 -4.473 -3.170 1.00 0.00 C ATOM 308 CG2 ILE A 16 101.701 -4.416 -4.419 1.00 0.00 C ATOM 309 CD1 ILE A 16 104.697 -4.029 -4.413 1.00 0.00 C ATOM 0 H ILE A 16 103.976 -1.625 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 16 101.183 -2.284 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 16 101.967 -4.583 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.415 -4.079 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 16 103.957 -5.560 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.858 -5.475 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 16 100.634 -4.222 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.095 -3.825 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 16 105.725 -4.386 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.229 -4.445 -5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.694 -2.941 -4.475 1.00 0.00 H new ATOM 321 N HIS A 17 101.563 -2.583 -0.523 1.00 0.00 N ATOM 322 CA HIS A 17 101.644 -2.435 0.904 1.00 0.00 C ATOM 323 C HIS A 17 101.460 -3.826 1.504 1.00 0.00 C ATOM 324 O HIS A 17 100.378 -4.419 1.411 1.00 0.00 O ATOM 325 CB HIS A 17 100.546 -1.440 1.318 1.00 0.00 C ATOM 326 CG HIS A 17 100.318 -1.172 2.791 1.00 0.00 C ATOM 327 ND1 HIS A 17 100.433 0.077 3.367 1.00 0.00 N ATOM 328 CD2 HIS A 17 99.832 -1.978 3.760 1.00 0.00 C ATOM 329 CE1 HIS A 17 100.016 -0.006 4.626 1.00 0.00 C ATOM 330 NE2 HIS A 17 99.635 -1.234 4.921 1.00 0.00 N ATOM 0 H HIS A 17 100.671 -2.962 -0.842 1.00 0.00 H new ATOM 0 HA HIS A 17 102.597 -2.041 1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 17 100.769 -0.486 0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.605 -1.795 0.898 1.00 0.00 H new ATOM 0 HD1 HIS A 17 100.778 0.919 2.906 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.628 -3.033 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 17 99.992 0.823 5.317 1.00 0.00 H new ATOM 338 N THR A 18 102.523 -4.371 2.017 1.00 0.00 N ATOM 339 CA THR A 18 102.510 -5.724 2.560 1.00 0.00 C ATOM 340 C THR A 18 103.176 -5.759 3.955 1.00 0.00 C ATOM 341 O THR A 18 104.091 -5.018 4.223 1.00 0.00 O ATOM 342 CB THR A 18 103.207 -6.725 1.573 1.00 0.00 C ATOM 343 OG1 THR A 18 102.982 -8.076 1.985 1.00 0.00 O ATOM 344 CG2 THR A 18 104.710 -6.474 1.470 1.00 0.00 C ATOM 0 H THR A 18 103.428 -3.904 2.077 1.00 0.00 H new ATOM 0 HA THR A 18 101.473 -6.038 2.677 1.00 0.00 H new ATOM 0 HB THR A 18 102.765 -6.560 0.590 1.00 0.00 H new ATOM 0 HG1 THR A 18 103.422 -8.687 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.152 -7.189 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.886 -5.461 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.167 -6.592 2.453 1.00 0.00 H new ATOM 352 N LYS A 19 102.700 -6.622 4.811 1.00 0.00 N ATOM 353 CA LYS A 19 103.154 -6.700 6.194 1.00 0.00 C ATOM 354 C LYS A 19 104.286 -7.714 6.352 1.00 0.00 C ATOM 355 O LYS A 19 104.259 -8.783 5.739 1.00 0.00 O ATOM 356 CB LYS A 19 101.913 -7.042 7.082 1.00 0.00 C ATOM 357 CG LYS A 19 102.104 -7.298 8.606 1.00 0.00 C ATOM 358 CD LYS A 19 102.750 -8.665 8.919 1.00 0.00 C ATOM 359 CE LYS A 19 102.568 -9.079 10.364 1.00 0.00 C ATOM 360 NZ LYS A 19 101.154 -9.253 10.724 1.00 0.00 N ATOM 0 H LYS A 19 101.978 -7.303 4.576 1.00 0.00 H new ATOM 0 HA LYS A 19 103.573 -5.746 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.201 -6.224 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.444 -7.930 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.724 -6.506 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.135 -7.240 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.315 -9.425 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.815 -8.621 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 19 103.103 -10.012 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 19 103.015 -8.327 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.887 -8.542 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.563 -9.135 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 101.010 -10.205 11.117 1.00 0.00 H new ATOM 374 N LEU A 20 105.267 -7.372 7.183 1.00 0.00 N ATOM 375 CA LEU A 20 106.344 -8.280 7.534 1.00 0.00 C ATOM 376 C LEU A 20 106.316 -8.421 9.018 1.00 0.00 C ATOM 377 O LEU A 20 106.297 -7.402 9.755 1.00 0.00 O ATOM 378 CB LEU A 20 107.713 -7.753 7.089 1.00 0.00 C ATOM 379 CG LEU A 20 108.488 -8.597 6.072 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.669 -8.907 4.844 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.773 -7.903 5.683 1.00 0.00 C ATOM 0 H LEU A 20 105.334 -6.457 7.629 1.00 0.00 H new ATOM 0 HA LEU A 20 106.199 -9.235 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.572 -6.759 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.335 -7.636 7.976 1.00 0.00 H new ATOM 0 HG LEU A 20 108.722 -9.547 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 20 108.262 -9.507 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.776 -9.462 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.376 -7.977 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.313 -8.515 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.543 -6.934 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.391 -7.759 6.569 1.00 0.00 H new ATOM 393 N ARG A 21 106.278 -9.625 9.481 1.00 0.00 N ATOM 394 CA ARG A 21 106.187 -9.866 10.864 1.00 0.00 C ATOM 395 C ARG A 21 107.574 -9.859 11.458 1.00 0.00 C ATOM 396 O ARG A 21 108.417 -10.651 11.075 1.00 0.00 O ATOM 397 CB ARG A 21 105.509 -11.197 11.143 1.00 0.00 C ATOM 398 CG ARG A 21 105.098 -11.366 12.594 1.00 0.00 C ATOM 399 CD ARG A 21 104.471 -12.712 12.832 1.00 0.00 C ATOM 400 NE ARG A 21 103.935 -12.833 14.204 1.00 0.00 N ATOM 401 CZ ARG A 21 103.934 -13.959 14.932 1.00 0.00 C ATOM 402 NH1 ARG A 21 104.502 -15.066 14.452 1.00 0.00 N ATOM 403 NH2 ARG A 21 103.361 -13.976 16.139 1.00 0.00 N ATOM 0 H ARG A 21 106.310 -10.465 8.903 1.00 0.00 H new ATOM 0 HA ARG A 21 105.584 -9.081 11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.627 -11.288 10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.185 -12.007 10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 21 105.971 -11.250 13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.393 -10.581 12.868 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.668 -12.871 12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.212 -13.493 12.661 1.00 0.00 H new ATOM 0 HE ARG A 21 103.536 -11.996 14.629 1.00 0.00 H new ATOM 0 HH11 ARG A 21 104.938 -15.057 13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 21 104.500 -15.922 15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 21 102.924 -13.132 16.508 1.00 0.00 H new ATOM 0 HH22 ARG A 21 103.361 -14.833 16.692 1.00 0.00 H new ATOM 417 N LYS A 22 107.815 -8.880 12.291 1.00 0.00 N ATOM 418 CA LYS A 22 108.997 -8.739 13.087 1.00 0.00 C ATOM 419 C LYS A 22 109.424 -10.018 13.685 1.00 0.00 C ATOM 420 O LYS A 22 108.820 -10.478 14.677 1.00 0.00 O ATOM 421 CB LYS A 22 108.698 -7.800 14.211 1.00 0.00 C ATOM 422 CG LYS A 22 108.811 -6.319 13.960 1.00 0.00 C ATOM 423 CD LYS A 22 108.058 -5.728 12.794 1.00 0.00 C ATOM 424 CE LYS A 22 108.689 -6.132 11.512 1.00 0.00 C ATOM 425 NZ LYS A 22 110.175 -6.151 11.630 1.00 0.00 N ATOM 0 H LYS A 22 107.151 -8.119 12.437 1.00 0.00 H new ATOM 0 HA LYS A 22 109.792 -8.374 12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 22 107.682 -8.002 14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.365 -8.048 15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 22 108.482 -5.804 14.863 1.00 0.00 H new ATOM 0 HG3 LYS A 22 109.867 -6.085 13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 22 107.020 -6.061 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 22 108.046 -4.641 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 22 108.331 -7.120 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 22 108.392 -5.441 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 110.600 -6.047 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 110.485 -5.366 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 110.479 -7.053 12.049 1.00 0.00 H new ATOM 439 N SER A 23 110.469 -10.534 13.126 1.00 0.00 N ATOM 440 CA SER A 23 111.033 -11.766 13.529 1.00 0.00 C ATOM 441 C SER A 23 112.443 -11.429 13.941 1.00 0.00 C ATOM 442 O SER A 23 113.139 -10.717 13.201 1.00 0.00 O ATOM 443 CB SER A 23 110.991 -12.761 12.356 1.00 0.00 C ATOM 444 OG SER A 23 111.348 -14.079 12.761 1.00 0.00 O ATOM 0 H SER A 23 110.964 -10.090 12.352 1.00 0.00 H new ATOM 0 HA SER A 23 110.494 -12.241 14.349 1.00 0.00 H new ATOM 0 HB2 SER A 23 109.989 -12.773 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 23 111.670 -12.426 11.572 1.00 0.00 H new ATOM 0 HG SER A 23 111.308 -14.681 11.989 1.00 0.00 H new ATOM 450 N SER A 24 112.836 -11.883 15.129 1.00 0.00 N ATOM 451 CA SER A 24 114.080 -11.477 15.773 1.00 0.00 C ATOM 452 C SER A 24 114.011 -9.949 16.004 1.00 0.00 C ATOM 453 O SER A 24 112.913 -9.358 15.928 1.00 0.00 O ATOM 454 CB SER A 24 115.284 -11.869 14.923 1.00 0.00 C ATOM 455 OG SER A 24 115.185 -13.221 14.519 1.00 0.00 O ATOM 0 H SER A 24 112.293 -12.550 15.676 1.00 0.00 H new ATOM 0 HA SER A 24 114.202 -11.986 16.729 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.343 -11.224 14.046 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.202 -11.719 15.491 1.00 0.00 H new ATOM 0 HG SER A 24 115.964 -13.457 13.973 1.00 0.00 H new ATOM 461 N ARG A 25 115.106 -9.298 16.297 1.00 0.00 N ATOM 462 CA ARG A 25 115.034 -7.866 16.495 1.00 0.00 C ATOM 463 C ARG A 25 115.123 -7.139 15.170 1.00 0.00 C ATOM 464 O ARG A 25 116.047 -6.362 14.924 1.00 0.00 O ATOM 465 CB ARG A 25 116.062 -7.315 17.499 1.00 0.00 C ATOM 466 CG ARG A 25 115.802 -7.660 18.963 1.00 0.00 C ATOM 467 CD ARG A 25 116.250 -9.055 19.341 1.00 0.00 C ATOM 468 NE ARG A 25 116.000 -9.320 20.768 1.00 0.00 N ATOM 469 CZ ARG A 25 116.421 -10.399 21.451 1.00 0.00 C ATOM 470 NH1 ARG A 25 117.152 -11.327 20.850 1.00 0.00 N ATOM 471 NH2 ARG A 25 116.099 -10.538 22.734 1.00 0.00 N ATOM 0 H ARG A 25 116.031 -9.714 16.402 1.00 0.00 H new ATOM 0 HA ARG A 25 114.060 -7.676 16.946 1.00 0.00 H new ATOM 0 HB2 ARG A 25 117.048 -7.690 17.225 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.095 -6.230 17.400 1.00 0.00 H new ATOM 0 HG2 ARG A 25 116.317 -6.937 19.596 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.736 -7.561 19.168 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.720 -9.788 18.733 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.312 -9.170 19.126 1.00 0.00 H new ATOM 0 HE ARG A 25 115.460 -8.624 21.283 1.00 0.00 H new ATOM 0 HH11 ARG A 25 117.397 -11.224 19.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 117.469 -12.144 21.372 1.00 0.00 H new ATOM 0 HH21 ARG A 25 115.534 -9.827 23.198 1.00 0.00 H new ATOM 0 HH22 ARG A 25 116.417 -11.356 23.254 1.00 0.00 H new ATOM 485 N GLY A 26 114.172 -7.410 14.318 1.00 0.00 N ATOM 486 CA GLY A 26 114.145 -6.784 13.059 1.00 0.00 C ATOM 487 C GLY A 26 113.407 -7.573 12.021 1.00 0.00 C ATOM 488 O GLY A 26 112.179 -7.914 12.168 1.00 0.00 O ATOM 0 H GLY A 26 113.410 -8.066 14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.680 -5.803 13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.168 -6.619 12.721 1.00 0.00 H new ATOM 492 N PHE A 27 114.121 -7.886 10.999 1.00 0.00 N ATOM 493 CA PHE A 27 113.573 -8.421 9.807 1.00 0.00 C ATOM 494 C PHE A 27 114.392 -9.613 9.279 1.00 0.00 C ATOM 495 O PHE A 27 114.282 -10.719 9.793 1.00 0.00 O ATOM 496 CB PHE A 27 113.561 -7.299 8.780 1.00 0.00 C ATOM 497 CG PHE A 27 112.611 -6.217 8.982 1.00 0.00 C ATOM 498 CD1 PHE A 27 111.283 -6.354 8.666 1.00 0.00 C ATOM 499 CD2 PHE A 27 113.062 -5.026 9.491 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.425 -5.312 8.867 1.00 0.00 C ATOM 501 CE2 PHE A 27 112.224 -4.000 9.693 1.00 0.00 C ATOM 502 CZ PHE A 27 110.907 -4.129 9.391 1.00 0.00 C ATOM 0 H PHE A 27 115.134 -7.773 10.970 1.00 0.00 H new ATOM 0 HA PHE A 27 112.569 -8.797 10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.561 -6.867 8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.367 -7.740 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.917 -7.285 8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 27 114.109 -4.913 9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 27 109.379 -5.412 8.619 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.597 -3.070 10.096 1.00 0.00 H new ATOM 0 HZ PHE A 27 110.233 -3.302 9.561 1.00 0.00 H new ATOM 512 N GLY A 28 115.205 -9.370 8.291 1.00 0.00 N ATOM 513 CA GLY A 28 115.946 -10.393 7.613 1.00 0.00 C ATOM 514 C GLY A 28 116.028 -10.104 6.129 1.00 0.00 C ATOM 515 O GLY A 28 115.555 -10.895 5.297 1.00 0.00 O ATOM 0 H GLY A 28 115.374 -8.433 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.950 -10.459 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.470 -11.360 7.774 1.00 0.00 H new ATOM 519 N PHE A 29 116.563 -8.956 5.799 1.00 0.00 N ATOM 520 CA PHE A 29 116.799 -8.562 4.417 1.00 0.00 C ATOM 521 C PHE A 29 117.825 -7.455 4.388 1.00 0.00 C ATOM 522 O PHE A 29 117.870 -6.627 5.273 1.00 0.00 O ATOM 523 CB PHE A 29 115.492 -8.144 3.672 1.00 0.00 C ATOM 524 CG PHE A 29 114.789 -6.907 4.168 1.00 0.00 C ATOM 525 CD1 PHE A 29 115.141 -5.658 3.685 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.760 -6.995 5.086 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.482 -4.521 4.107 1.00 0.00 C ATOM 528 CE2 PHE A 29 113.099 -5.861 5.517 1.00 0.00 C ATOM 529 CZ PHE A 29 113.461 -4.623 5.028 1.00 0.00 C ATOM 0 H PHE A 29 116.853 -8.256 6.482 1.00 0.00 H new ATOM 0 HA PHE A 29 117.179 -9.430 3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.734 -7.997 2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.791 -8.977 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.943 -5.572 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.469 -7.961 5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.765 -3.555 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 29 112.298 -5.944 6.237 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.946 -3.736 5.366 1.00 0.00 H new ATOM 539 N THR A 30 118.670 -7.438 3.421 1.00 0.00 N ATOM 540 CA THR A 30 119.615 -6.383 3.388 1.00 0.00 C ATOM 541 C THR A 30 119.194 -5.358 2.403 1.00 0.00 C ATOM 542 O THR A 30 118.757 -5.672 1.267 1.00 0.00 O ATOM 543 CB THR A 30 121.060 -6.877 3.203 1.00 0.00 C ATOM 544 OG1 THR A 30 121.148 -7.741 2.056 1.00 0.00 O ATOM 545 CG2 THR A 30 121.502 -7.650 4.438 1.00 0.00 C ATOM 0 H THR A 30 118.728 -8.119 2.664 1.00 0.00 H new ATOM 0 HA THR A 30 119.630 -5.902 4.366 1.00 0.00 H new ATOM 0 HB THR A 30 121.706 -6.012 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 30 120.588 -7.385 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.526 -7.998 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.452 -7.000 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.844 -8.507 4.586 1.00 0.00 H new ATOM 553 N VAL A 31 119.301 -4.145 2.821 1.00 0.00 N ATOM 554 CA VAL A 31 118.782 -3.090 2.110 1.00 0.00 C ATOM 555 C VAL A 31 119.846 -2.050 1.854 1.00 0.00 C ATOM 556 O VAL A 31 120.733 -1.830 2.671 1.00 0.00 O ATOM 557 CB VAL A 31 117.579 -2.541 2.899 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.930 -1.906 4.208 1.00 0.00 C ATOM 559 CG2 VAL A 31 116.758 -1.663 2.121 1.00 0.00 C ATOM 0 H VAL A 31 119.767 -3.880 3.689 1.00 0.00 H new ATOM 0 HA VAL A 31 118.437 -3.408 1.126 1.00 0.00 H new ATOM 0 HB VAL A 31 116.999 -3.433 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 31 117.022 -1.548 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 118.420 -2.640 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 31 118.604 -1.067 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 31 115.926 -1.308 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 31 117.351 -0.812 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 31 116.370 -2.199 1.255 1.00 0.00 H new ATOM 569 N VAL A 32 119.765 -1.475 0.712 1.00 0.00 N ATOM 570 CA VAL A 32 120.670 -0.474 0.260 1.00 0.00 C ATOM 571 C VAL A 32 119.949 0.814 0.080 1.00 0.00 C ATOM 572 O VAL A 32 118.899 0.850 -0.497 1.00 0.00 O ATOM 573 CB VAL A 32 121.387 -0.892 -1.058 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.443 -1.939 -0.768 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.375 -1.446 -2.073 1.00 0.00 C ATOM 0 H VAL A 32 119.036 -1.696 0.034 1.00 0.00 H new ATOM 0 HA VAL A 32 121.442 -0.351 1.019 1.00 0.00 H new ATOM 0 HB VAL A 32 121.863 -0.008 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 32 122.938 -2.224 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.179 -1.531 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 32 121.973 -2.816 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.896 -1.732 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.877 -2.319 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.634 -0.681 -2.302 1.00 0.00 H new ATOM 585 N GLY A 33 120.495 1.850 0.589 1.00 0.00 N ATOM 586 CA GLY A 33 119.873 3.119 0.435 1.00 0.00 C ATOM 587 C GLY A 33 119.696 3.789 1.736 1.00 0.00 C ATOM 588 O GLY A 33 120.573 3.659 2.616 1.00 0.00 O ATOM 0 H GLY A 33 121.369 1.852 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.478 3.746 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 33 118.904 2.995 -0.048 1.00 0.00 H new ATOM 592 N GLY A 34 118.575 4.506 1.833 1.00 0.00 N ATOM 593 CA GLY A 34 118.143 5.241 3.009 1.00 0.00 C ATOM 594 C GLY A 34 119.233 5.999 3.608 1.00 0.00 C ATOM 595 O GLY A 34 119.663 5.751 4.712 1.00 0.00 O ATOM 0 H GLY A 34 117.919 4.590 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.336 5.921 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.739 4.545 3.744 1.00 0.00 H new ATOM 599 N ASP A 35 119.700 6.897 2.874 1.00 0.00 N ATOM 600 CA ASP A 35 120.803 7.660 3.293 1.00 0.00 C ATOM 601 C ASP A 35 120.325 8.998 3.684 1.00 0.00 C ATOM 602 O ASP A 35 120.704 9.525 4.734 1.00 0.00 O ATOM 603 CB ASP A 35 121.790 7.746 2.147 1.00 0.00 C ATOM 604 CG ASP A 35 123.192 8.180 2.560 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.399 9.314 2.990 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.126 7.384 2.380 1.00 0.00 O ATOM 0 H ASP A 35 119.335 7.138 1.953 1.00 0.00 H new ATOM 0 HA ASP A 35 121.299 7.203 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.852 6.772 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.408 8.448 1.406 1.00 0.00 H new ATOM 611 N GLU A 36 119.433 9.528 2.886 1.00 0.00 N ATOM 612 CA GLU A 36 119.034 10.893 3.034 1.00 0.00 C ATOM 613 C GLU A 36 117.734 11.095 2.373 1.00 0.00 C ATOM 614 O GLU A 36 117.241 10.186 1.721 1.00 0.00 O ATOM 615 CB GLU A 36 120.174 11.799 2.515 1.00 0.00 C ATOM 616 CG GLU A 36 120.808 11.340 1.252 1.00 0.00 C ATOM 617 CD GLU A 36 121.942 12.248 0.863 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.712 13.265 0.168 1.00 0.00 O ATOM 619 OE2 GLU A 36 123.084 11.995 1.246 1.00 0.00 O ATOM 0 H GLU A 36 118.971 9.028 2.126 1.00 0.00 H new ATOM 0 HA GLU A 36 118.877 11.165 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.780 12.804 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 36 120.942 11.871 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.177 10.322 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 36 120.065 11.316 0.455 1.00 0.00 H new ATOM 626 N PRO A 37 117.126 12.265 2.530 1.00 0.00 N ATOM 627 CA PRO A 37 115.862 12.611 1.920 1.00 0.00 C ATOM 628 C PRO A 37 116.098 12.910 0.467 1.00 0.00 C ATOM 629 O PRO A 37 115.947 14.036 -0.024 1.00 0.00 O ATOM 630 CB PRO A 37 115.463 13.858 2.680 1.00 0.00 C ATOM 631 CG PRO A 37 116.342 13.876 3.863 1.00 0.00 C ATOM 632 CD PRO A 37 117.607 13.372 3.305 1.00 0.00 C ATOM 0 HA PRO A 37 115.100 11.833 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.600 14.752 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.412 13.826 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.449 14.878 4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 37 115.965 13.238 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.116 14.117 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.308 13.062 4.080 1.00 0.00 H new ATOM 640 N ASP A 38 116.503 11.880 -0.169 1.00 0.00 N ATOM 641 CA ASP A 38 116.926 11.836 -1.518 1.00 0.00 C ATOM 642 C ASP A 38 117.141 10.378 -1.878 1.00 0.00 C ATOM 643 O ASP A 38 116.634 9.887 -2.884 1.00 0.00 O ATOM 644 CB ASP A 38 118.224 12.638 -1.661 1.00 0.00 C ATOM 645 CG ASP A 38 118.861 12.548 -3.047 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.172 12.194 -4.022 1.00 0.00 O ATOM 647 OD2 ASP A 38 120.028 12.944 -3.207 1.00 0.00 O ATOM 0 H ASP A 38 116.552 10.965 0.278 1.00 0.00 H new ATOM 0 HA ASP A 38 116.185 12.273 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.019 13.684 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.941 12.285 -0.919 1.00 0.00 H new ATOM 652 N GLU A 39 117.836 9.677 -1.007 1.00 0.00 N ATOM 653 CA GLU A 39 118.107 8.277 -1.198 1.00 0.00 C ATOM 654 C GLU A 39 117.224 7.442 -0.266 1.00 0.00 C ATOM 655 O GLU A 39 117.344 7.551 0.997 1.00 0.00 O ATOM 656 CB GLU A 39 119.583 7.987 -0.936 1.00 0.00 C ATOM 657 CG GLU A 39 119.967 6.520 -1.051 1.00 0.00 C ATOM 658 CD GLU A 39 119.816 5.945 -2.446 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.678 5.812 -2.943 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.828 5.572 -3.047 1.00 0.00 O ATOM 0 H GLU A 39 118.227 10.066 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 39 117.879 8.008 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 39 120.184 8.563 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.838 8.339 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 39 121.002 6.401 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.352 5.940 -0.363 1.00 0.00 H new ATOM 667 N PHE A 40 116.401 6.599 -0.925 1.00 0.00 N ATOM 668 CA PHE A 40 115.375 5.660 -0.363 1.00 0.00 C ATOM 669 C PHE A 40 116.010 4.299 -0.168 1.00 0.00 C ATOM 670 O PHE A 40 117.118 4.074 -0.637 1.00 0.00 O ATOM 671 CB PHE A 40 114.205 5.453 -1.340 1.00 0.00 C ATOM 672 CG PHE A 40 113.642 6.673 -2.009 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.262 7.781 -1.284 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.484 6.690 -3.389 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.732 8.885 -1.917 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.952 7.790 -4.029 1.00 0.00 C ATOM 677 CZ PHE A 40 112.573 8.889 -3.294 1.00 0.00 C ATOM 0 H PHE A 40 116.429 6.544 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 40 115.012 6.091 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.533 4.763 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.396 4.962 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.380 7.785 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.782 5.829 -3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.440 9.749 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.834 7.788 -5.102 1.00 0.00 H new ATOM 0 HZ PHE A 40 112.153 9.752 -3.788 1.00 0.00 H new ATOM 687 N LEU A 41 115.354 3.402 0.578 1.00 0.00 N ATOM 688 CA LEU A 41 115.977 2.113 0.833 1.00 0.00 C ATOM 689 C LEU A 41 115.472 1.078 -0.151 1.00 0.00 C ATOM 690 O LEU A 41 114.375 1.157 -0.555 1.00 0.00 O ATOM 691 CB LEU A 41 115.801 1.618 2.253 1.00 0.00 C ATOM 692 CG LEU A 41 116.334 2.474 3.373 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.318 3.519 3.837 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.815 1.604 4.507 1.00 0.00 C ATOM 0 H LEU A 41 114.434 3.540 0.996 1.00 0.00 H new ATOM 0 HA LEU A 41 117.048 2.264 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.735 1.469 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.275 0.639 2.326 1.00 0.00 H new ATOM 0 HG LEU A 41 117.186 3.037 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.748 4.111 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.063 4.174 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.418 3.018 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 117.198 2.233 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.987 1.002 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.609 0.947 4.150 1.00 0.00 H new ATOM 706 N GLN A 42 116.296 0.145 -0.553 1.00 0.00 N ATOM 707 CA GLN A 42 115.928 -0.848 -1.545 1.00 0.00 C ATOM 708 C GLN A 42 116.488 -2.218 -1.151 1.00 0.00 C ATOM 709 O GLN A 42 117.583 -2.314 -0.684 1.00 0.00 O ATOM 710 CB GLN A 42 116.573 -0.438 -2.835 1.00 0.00 C ATOM 711 CG GLN A 42 116.266 -1.329 -4.023 1.00 0.00 C ATOM 712 CD GLN A 42 117.165 -1.042 -5.203 1.00 0.00 C ATOM 713 OE1 GLN A 42 117.588 0.089 -5.424 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.509 -2.063 -5.939 1.00 0.00 N ATOM 0 H GLN A 42 117.249 0.047 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 42 114.843 -0.913 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.259 0.578 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.653 -0.412 -2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.377 -2.373 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.226 -1.190 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.140 -2.990 -5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.147 -1.934 -6.724 1.00 0.00 H new ATOM 723 N ILE A 43 115.772 -3.251 -1.423 1.00 0.00 N ATOM 724 CA ILE A 43 116.180 -4.606 -1.015 1.00 0.00 C ATOM 725 C ILE A 43 117.165 -5.149 -1.992 1.00 0.00 C ATOM 726 O ILE A 43 116.852 -5.317 -3.182 1.00 0.00 O ATOM 727 CB ILE A 43 114.992 -5.657 -0.861 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.057 -5.320 0.287 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.548 -7.059 -0.585 1.00 0.00 C ATOM 730 CD1 ILE A 43 113.470 -3.967 0.253 1.00 0.00 C ATOM 0 H ILE A 43 114.888 -3.213 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 43 116.610 -4.482 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 43 114.441 -5.620 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.246 -6.048 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.603 -5.437 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.723 -7.764 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.187 -7.366 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.130 -7.045 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 43 112.819 -3.831 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.267 -3.224 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 43 112.889 -3.845 -0.661 1.00 0.00 H new ATOM 742 N LYS A 44 118.334 -5.424 -1.506 1.00 0.00 N ATOM 743 CA LYS A 44 119.359 -6.001 -2.342 1.00 0.00 C ATOM 744 C LYS A 44 119.425 -7.487 -2.140 1.00 0.00 C ATOM 745 O LYS A 44 119.902 -8.195 -2.988 1.00 0.00 O ATOM 746 CB LYS A 44 120.754 -5.402 -2.134 1.00 0.00 C ATOM 747 CG LYS A 44 121.434 -5.795 -0.820 1.00 0.00 C ATOM 748 CD LYS A 44 122.930 -5.495 -0.846 1.00 0.00 C ATOM 749 CE LYS A 44 123.641 -6.048 0.388 1.00 0.00 C ATOM 750 NZ LYS A 44 123.532 -7.530 0.484 1.00 0.00 N ATOM 0 H LYS A 44 118.610 -5.262 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 44 119.065 -5.761 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.392 -5.708 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 44 120.677 -4.316 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 44 120.969 -5.256 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.279 -6.858 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.372 -5.927 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.084 -4.417 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 44 124.693 -5.764 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 123.215 -5.595 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 124.387 -7.913 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 122.699 -7.781 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 123.434 -7.933 -0.470 1.00 0.00 H new ATOM 764 N SER A 45 118.993 -7.970 -1.010 1.00 0.00 N ATOM 765 CA SER A 45 118.998 -9.394 -0.780 1.00 0.00 C ATOM 766 C SER A 45 117.911 -9.753 0.193 1.00 0.00 C ATOM 767 O SER A 45 117.796 -9.122 1.252 1.00 0.00 O ATOM 768 CB SER A 45 120.358 -9.831 -0.213 1.00 0.00 C ATOM 769 OG SER A 45 121.427 -9.397 -1.056 1.00 0.00 O ATOM 0 H SER A 45 118.635 -7.408 -0.237 1.00 0.00 H new ATOM 0 HA SER A 45 118.824 -9.906 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.489 -9.419 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.384 -10.916 -0.116 1.00 0.00 H new ATOM 0 HG SER A 45 122.282 -9.685 -0.674 1.00 0.00 H new ATOM 775 N LEU A 46 117.077 -10.706 -0.165 1.00 0.00 N ATOM 776 CA LEU A 46 116.131 -11.180 0.763 1.00 0.00 C ATOM 777 C LEU A 46 116.825 -12.269 1.543 1.00 0.00 C ATOM 778 O LEU A 46 117.299 -13.253 0.975 1.00 0.00 O ATOM 779 CB LEU A 46 114.812 -11.629 0.102 1.00 0.00 C ATOM 780 CG LEU A 46 114.814 -12.868 -0.780 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.364 -14.081 -0.005 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.911 -12.641 -1.928 1.00 0.00 C ATOM 0 H LEU A 46 117.051 -11.149 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 46 115.806 -10.385 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.084 -11.792 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 114.446 -10.797 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 46 115.829 -13.051 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.374 -14.954 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 115.039 -14.248 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.353 -13.919 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 113.906 -13.524 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.901 -12.450 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.259 -11.781 -2.500 1.00 0.00 H new ATOM 794 N VAL A 47 116.981 -12.057 2.787 1.00 0.00 N ATOM 795 CA VAL A 47 117.748 -12.942 3.595 1.00 0.00 C ATOM 796 C VAL A 47 116.869 -14.063 4.130 1.00 0.00 C ATOM 797 O VAL A 47 115.732 -13.829 4.556 1.00 0.00 O ATOM 798 CB VAL A 47 118.410 -12.157 4.758 1.00 0.00 C ATOM 799 CG1 VAL A 47 119.213 -13.071 5.625 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.302 -11.044 4.224 1.00 0.00 C ATOM 0 H VAL A 47 116.582 -11.263 3.287 1.00 0.00 H new ATOM 0 HA VAL A 47 118.535 -13.388 2.987 1.00 0.00 H new ATOM 0 HB VAL A 47 117.612 -11.714 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.668 -12.499 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.563 -13.839 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.995 -13.543 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.755 -10.508 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.086 -11.474 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.705 -10.352 3.630 1.00 0.00 H new ATOM 810 N LEU A 48 117.384 -15.285 4.046 1.00 0.00 N ATOM 811 CA LEU A 48 116.718 -16.456 4.581 1.00 0.00 C ATOM 812 C LEU A 48 116.536 -16.274 6.056 1.00 0.00 C ATOM 813 O LEU A 48 117.409 -15.676 6.708 1.00 0.00 O ATOM 814 CB LEU A 48 117.542 -17.715 4.307 1.00 0.00 C ATOM 815 CG LEU A 48 117.775 -18.056 2.836 1.00 0.00 C ATOM 816 CD1 LEU A 48 118.678 -19.271 2.705 1.00 0.00 C ATOM 817 CD2 LEU A 48 116.456 -18.301 2.124 1.00 0.00 C ATOM 0 H LEU A 48 118.280 -15.487 3.602 1.00 0.00 H new ATOM 0 HA LEU A 48 115.748 -16.574 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.512 -17.603 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 48 117.045 -18.561 4.781 1.00 0.00 H new ATOM 0 HG LEU A 48 118.267 -17.205 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 48 118.832 -19.498 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 48 119.639 -19.063 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 118.212 -20.125 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.646 -18.542 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.935 -19.132 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.839 -17.405 2.183 1.00 0.00 H new ATOM 829 N ASP A 49 115.387 -16.744 6.566 1.00 0.00 N ATOM 830 CA ASP A 49 115.006 -16.618 7.995 1.00 0.00 C ATOM 831 C ASP A 49 114.453 -15.207 8.286 1.00 0.00 C ATOM 832 O ASP A 49 114.087 -14.863 9.411 1.00 0.00 O ATOM 833 CB ASP A 49 116.191 -17.016 8.901 1.00 0.00 C ATOM 834 CG ASP A 49 115.926 -16.972 10.389 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.953 -17.601 10.856 1.00 0.00 O ATOM 836 OD2 ASP A 49 116.739 -16.374 11.132 1.00 0.00 O ATOM 0 H ASP A 49 114.687 -17.226 6.001 1.00 0.00 H new ATOM 0 HA ASP A 49 114.197 -17.312 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 49 116.503 -18.026 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 117.030 -16.356 8.681 1.00 0.00 H new ATOM 841 N GLY A 50 114.356 -14.421 7.227 1.00 0.00 N ATOM 842 CA GLY A 50 113.786 -13.104 7.281 1.00 0.00 C ATOM 843 C GLY A 50 112.347 -13.144 6.901 1.00 0.00 C ATOM 844 O GLY A 50 111.987 -13.975 6.094 1.00 0.00 O ATOM 0 H GLY A 50 114.678 -14.692 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.892 -12.696 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.328 -12.439 6.609 1.00 0.00 H new ATOM 848 N PRO A 51 111.496 -12.194 7.320 1.00 0.00 N ATOM 849 CA PRO A 51 110.084 -12.346 7.139 1.00 0.00 C ATOM 850 C PRO A 51 109.697 -12.185 5.664 1.00 0.00 C ATOM 851 O PRO A 51 108.742 -12.765 5.209 1.00 0.00 O ATOM 852 CB PRO A 51 109.463 -11.332 8.122 1.00 0.00 C ATOM 853 CG PRO A 51 110.548 -10.360 8.469 1.00 0.00 C ATOM 854 CD PRO A 51 111.817 -10.835 7.787 1.00 0.00 C ATOM 0 HA PRO A 51 109.704 -13.342 7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.614 -10.821 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 51 109.092 -11.834 9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.285 -9.356 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.688 -10.310 9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 51 112.089 -10.184 6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.661 -10.841 8.477 1.00 0.00 H new ATOM 862 N ALA A 52 110.523 -11.446 4.917 1.00 0.00 N ATOM 863 CA ALA A 52 110.361 -11.297 3.472 1.00 0.00 C ATOM 864 C ALA A 52 110.530 -12.660 2.798 1.00 0.00 C ATOM 865 O ALA A 52 109.727 -13.054 1.960 1.00 0.00 O ATOM 866 CB ALA A 52 111.399 -10.322 2.930 1.00 0.00 C ATOM 0 H ALA A 52 111.320 -10.936 5.298 1.00 0.00 H new ATOM 0 HA ALA A 52 109.365 -10.908 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.272 -10.217 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.270 -9.351 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.399 -10.700 3.142 1.00 0.00 H new ATOM 872 N ALA A 53 111.550 -13.392 3.250 1.00 0.00 N ATOM 873 CA ALA A 53 111.886 -14.715 2.733 1.00 0.00 C ATOM 874 C ALA A 53 110.777 -15.668 3.016 1.00 0.00 C ATOM 875 O ALA A 53 110.279 -16.374 2.150 1.00 0.00 O ATOM 876 CB ALA A 53 113.141 -15.232 3.439 1.00 0.00 C ATOM 0 H ALA A 53 112.172 -13.077 3.994 1.00 0.00 H new ATOM 0 HA ALA A 53 112.051 -14.639 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 53 113.394 -16.220 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.970 -14.548 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.955 -15.297 4.511 1.00 0.00 H new ATOM 882 N LEU A 54 110.385 -15.628 4.228 1.00 0.00 N ATOM 883 CA LEU A 54 109.466 -16.515 4.801 1.00 0.00 C ATOM 884 C LEU A 54 108.055 -16.323 4.334 1.00 0.00 C ATOM 885 O LEU A 54 107.336 -17.287 4.093 1.00 0.00 O ATOM 886 CB LEU A 54 109.600 -16.334 6.215 1.00 0.00 C ATOM 887 CG LEU A 54 111.030 -16.582 6.658 1.00 0.00 C ATOM 888 CD1 LEU A 54 111.053 -16.382 8.021 1.00 0.00 C ATOM 889 CD2 LEU A 54 111.535 -17.980 6.314 1.00 0.00 C ATOM 0 H LEU A 54 110.723 -14.926 4.887 1.00 0.00 H new ATOM 0 HA LEU A 54 109.686 -17.537 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 54 109.301 -15.321 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.929 -17.015 6.738 1.00 0.00 H new ATOM 0 HG LEU A 54 111.697 -15.901 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 54 112.063 -16.548 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.746 -15.360 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.368 -17.080 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.563 -18.090 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.907 -18.724 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.496 -18.125 5.234 1.00 0.00 H new ATOM 901 N ASP A 55 107.655 -15.073 4.193 1.00 0.00 N ATOM 902 CA ASP A 55 106.330 -14.743 3.679 1.00 0.00 C ATOM 903 C ASP A 55 106.333 -14.989 2.190 1.00 0.00 C ATOM 904 O ASP A 55 105.295 -15.240 1.562 1.00 0.00 O ATOM 905 CB ASP A 55 105.993 -13.279 3.970 1.00 0.00 C ATOM 906 CG ASP A 55 104.565 -12.917 3.645 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.680 -13.153 4.488 1.00 0.00 O ATOM 908 OD2 ASP A 55 104.298 -12.378 2.564 1.00 0.00 O ATOM 0 H ASP A 55 108.229 -14.263 4.427 1.00 0.00 H new ATOM 0 HA ASP A 55 105.576 -15.363 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 55 106.181 -13.073 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.662 -12.639 3.395 1.00 0.00 H new ATOM 913 N GLY A 56 107.537 -14.922 1.634 1.00 0.00 N ATOM 914 CA GLY A 56 107.782 -15.201 0.224 1.00 0.00 C ATOM 915 C GLY A 56 107.266 -14.178 -0.746 1.00 0.00 C ATOM 916 O GLY A 56 107.489 -14.291 -1.964 1.00 0.00 O ATOM 0 H GLY A 56 108.378 -14.670 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.857 -15.305 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.332 -16.164 -0.019 1.00 0.00 H new ATOM 920 N LYS A 57 106.594 -13.202 -0.253 1.00 0.00 N ATOM 921 CA LYS A 57 105.975 -12.249 -1.095 1.00 0.00 C ATOM 922 C LYS A 57 106.850 -11.031 -1.324 1.00 0.00 C ATOM 923 O LYS A 57 106.939 -10.553 -2.447 1.00 0.00 O ATOM 924 CB LYS A 57 104.600 -11.914 -0.551 1.00 0.00 C ATOM 925 CG LYS A 57 103.813 -10.847 -1.322 1.00 0.00 C ATOM 926 CD LYS A 57 103.656 -11.211 -2.809 1.00 0.00 C ATOM 927 CE LYS A 57 102.901 -12.524 -3.026 1.00 0.00 C ATOM 928 NZ LYS A 57 102.915 -12.931 -4.447 1.00 0.00 N ATOM 0 H LYS A 57 106.458 -13.043 0.745 1.00 0.00 H new ATOM 0 HA LYS A 57 105.842 -12.681 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.007 -12.829 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.711 -11.580 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 57 102.828 -10.727 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.322 -9.887 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 57 103.129 -10.406 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 57 104.643 -11.286 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 57 103.352 -13.308 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.870 -12.412 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 102.394 -13.825 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 102.463 -12.193 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 103.898 -13.062 -4.761 1.00 0.00 H new ATOM 942 N MET A 58 107.487 -10.539 -0.286 1.00 0.00 N ATOM 943 CA MET A 58 108.416 -9.418 -0.424 1.00 0.00 C ATOM 944 C MET A 58 109.753 -9.968 -0.887 1.00 0.00 C ATOM 945 O MET A 58 110.235 -10.963 -0.345 1.00 0.00 O ATOM 946 CB MET A 58 108.546 -8.660 0.890 1.00 0.00 C ATOM 947 CG MET A 58 109.599 -7.583 0.893 1.00 0.00 C ATOM 948 SD MET A 58 109.761 -6.852 2.527 1.00 0.00 S ATOM 949 CE MET A 58 111.161 -5.800 2.292 1.00 0.00 C ATOM 0 H MET A 58 107.386 -10.890 0.666 1.00 0.00 H new ATOM 0 HA MET A 58 108.043 -8.706 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.583 -8.209 1.130 1.00 0.00 H new ATOM 0 HB3 MET A 58 108.771 -9.372 1.684 1.00 0.00 H new ATOM 0 HG2 MET A 58 110.555 -8.003 0.581 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.338 -6.811 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 58 111.308 -5.186 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 58 112.049 -6.409 2.120 1.00 0.00 H new ATOM 0 HE3 MET A 58 110.991 -5.155 1.430 1.00 0.00 H new ATOM 959 N GLU A 59 110.346 -9.338 -1.869 1.00 0.00 N ATOM 960 CA GLU A 59 111.496 -9.897 -2.540 1.00 0.00 C ATOM 961 C GLU A 59 112.540 -8.848 -2.847 1.00 0.00 C ATOM 962 O GLU A 59 112.331 -7.654 -2.679 1.00 0.00 O ATOM 963 CB GLU A 59 111.095 -10.594 -3.847 1.00 0.00 C ATOM 964 CG GLU A 59 110.098 -11.722 -3.684 1.00 0.00 C ATOM 965 CD GLU A 59 109.936 -12.520 -4.934 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.394 -12.012 -5.927 1.00 0.00 O ATOM 967 OE2 GLU A 59 110.378 -13.687 -4.967 1.00 0.00 O ATOM 0 H GLU A 59 110.049 -8.429 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 59 111.923 -10.627 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.674 -9.851 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 59 111.993 -10.987 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.424 -12.378 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.132 -11.311 -3.391 1.00 0.00 H new ATOM 974 N THR A 60 113.687 -9.320 -3.239 1.00 0.00 N ATOM 975 CA THR A 60 114.750 -8.501 -3.656 1.00 0.00 C ATOM 976 C THR A 60 114.321 -7.762 -4.917 1.00 0.00 C ATOM 977 O THR A 60 113.857 -8.383 -5.881 1.00 0.00 O ATOM 978 CB THR A 60 115.924 -9.393 -3.949 1.00 0.00 C ATOM 979 OG1 THR A 60 116.109 -10.268 -2.833 1.00 0.00 O ATOM 980 CG2 THR A 60 117.138 -8.589 -4.127 1.00 0.00 C ATOM 0 H THR A 60 113.899 -10.317 -3.273 1.00 0.00 H new ATOM 0 HA THR A 60 115.021 -7.773 -2.891 1.00 0.00 H new ATOM 0 HB THR A 60 115.736 -9.959 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 60 116.761 -10.962 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 60 117.982 -9.246 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 60 116.998 -7.898 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.337 -8.025 -3.216 1.00 0.00 H new ATOM 988 N GLY A 61 114.438 -6.468 -4.891 1.00 0.00 N ATOM 989 CA GLY A 61 113.963 -5.683 -5.982 1.00 0.00 C ATOM 990 C GLY A 61 112.893 -4.736 -5.525 1.00 0.00 C ATOM 991 O GLY A 61 112.447 -3.873 -6.285 1.00 0.00 O ATOM 0 H GLY A 61 114.858 -5.938 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 114.789 -5.123 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 113.570 -6.335 -6.762 1.00 0.00 H new ATOM 995 N ASP A 62 112.441 -4.928 -4.290 1.00 0.00 N ATOM 996 CA ASP A 62 111.513 -3.996 -3.680 1.00 0.00 C ATOM 997 C ASP A 62 112.272 -2.805 -3.215 1.00 0.00 C ATOM 998 O ASP A 62 113.419 -2.923 -2.803 1.00 0.00 O ATOM 999 CB ASP A 62 110.803 -4.572 -2.442 1.00 0.00 C ATOM 1000 CG ASP A 62 109.657 -5.502 -2.726 1.00 0.00 C ATOM 1001 OD1 ASP A 62 108.694 -5.089 -3.388 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.682 -6.667 -2.284 1.00 0.00 O ATOM 0 H ASP A 62 112.703 -5.717 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 62 110.764 -3.761 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.538 -5.104 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.434 -3.743 -1.838 1.00 0.00 H new ATOM 1007 N VAL A 63 111.691 -1.678 -3.313 1.00 0.00 N ATOM 1008 CA VAL A 63 112.260 -0.517 -2.724 1.00 0.00 C ATOM 1009 C VAL A 63 111.376 0.024 -1.625 1.00 0.00 C ATOM 1010 O VAL A 63 110.203 0.339 -1.837 1.00 0.00 O ATOM 1011 CB VAL A 63 112.823 0.556 -3.738 1.00 0.00 C ATOM 1012 CG1 VAL A 63 112.101 0.526 -5.056 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.808 1.972 -3.155 1.00 0.00 C ATOM 0 H VAL A 63 110.809 -1.524 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 63 113.183 -0.840 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 63 113.862 0.279 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.523 1.281 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 63 112.212 -0.459 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 63 111.043 0.734 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.204 2.672 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.785 2.251 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.424 2.002 -2.256 1.00 0.00 H new ATOM 1023 N ILE A 64 111.952 0.042 -0.443 1.00 0.00 N ATOM 1024 CA ILE A 64 111.328 0.454 0.774 1.00 0.00 C ATOM 1025 C ILE A 64 111.051 1.954 0.772 1.00 0.00 C ATOM 1026 O ILE A 64 112.015 2.824 0.767 1.00 0.00 O ATOM 1027 CB ILE A 64 112.168 0.062 2.031 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.269 -1.449 2.173 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.600 0.662 3.307 1.00 0.00 C ATOM 1030 CD1 ILE A 64 110.935 -2.148 2.377 1.00 0.00 C ATOM 0 H ILE A 64 112.921 -0.248 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 64 110.378 -0.078 0.832 1.00 0.00 H new ATOM 0 HB ILE A 64 113.166 0.473 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 64 112.746 -1.855 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 64 112.920 -1.680 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.216 0.363 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.595 1.749 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.581 0.305 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.097 -3.222 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.463 -1.773 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.287 -1.951 1.523 1.00 0.00 H new ATOM 1042 N VAL A 65 109.748 2.226 0.769 1.00 0.00 N ATOM 1043 CA VAL A 65 109.165 3.535 0.748 1.00 0.00 C ATOM 1044 C VAL A 65 108.667 3.918 2.154 1.00 0.00 C ATOM 1045 O VAL A 65 109.046 4.927 2.690 1.00 0.00 O ATOM 1046 CB VAL A 65 107.959 3.550 -0.244 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.256 4.885 -0.281 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.401 3.148 -1.638 1.00 0.00 C ATOM 0 H VAL A 65 109.045 1.487 0.782 1.00 0.00 H new ATOM 0 HA VAL A 65 109.920 4.253 0.428 1.00 0.00 H new ATOM 0 HB VAL A 65 107.241 2.818 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.426 4.840 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.876 5.124 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.958 5.657 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.544 3.166 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.158 3.847 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.820 2.142 -1.611 1.00 0.00 H new ATOM 1058 N SER A 66 107.835 3.105 2.746 1.00 0.00 N ATOM 1059 CA SER A 66 107.280 3.435 4.036 1.00 0.00 C ATOM 1060 C SER A 66 107.136 2.170 4.890 1.00 0.00 C ATOM 1061 O SER A 66 107.103 1.056 4.352 1.00 0.00 O ATOM 1062 CB SER A 66 105.950 4.172 3.827 1.00 0.00 C ATOM 1063 OG SER A 66 105.328 4.547 5.039 1.00 0.00 O ATOM 0 H SER A 66 107.526 2.213 2.360 1.00 0.00 H new ATOM 0 HA SER A 66 107.947 4.100 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.126 5.063 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.273 3.533 3.260 1.00 0.00 H new ATOM 0 HG SER A 66 104.373 4.331 4.997 1.00 0.00 H new ATOM 1069 N VAL A 67 107.072 2.336 6.202 1.00 0.00 N ATOM 1070 CA VAL A 67 107.018 1.218 7.122 1.00 0.00 C ATOM 1071 C VAL A 67 106.126 1.522 8.328 1.00 0.00 C ATOM 1072 O VAL A 67 106.433 2.401 9.143 1.00 0.00 O ATOM 1073 CB VAL A 67 108.459 0.784 7.583 1.00 0.00 C ATOM 1074 CG1 VAL A 67 109.253 1.954 8.120 1.00 0.00 C ATOM 1075 CG2 VAL A 67 108.406 -0.317 8.630 1.00 0.00 C ATOM 0 H VAL A 67 107.056 3.250 6.655 1.00 0.00 H new ATOM 0 HA VAL A 67 106.572 0.381 6.585 1.00 0.00 H new ATOM 0 HB VAL A 67 108.962 0.400 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 67 110.241 1.612 8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.356 2.711 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.734 2.383 8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 67 109.420 -0.590 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.859 0.038 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.901 -1.190 8.215 1.00 0.00 H new ATOM 1085 N ASN A 68 104.992 0.811 8.398 1.00 0.00 N ATOM 1086 CA ASN A 68 104.027 0.855 9.519 1.00 0.00 C ATOM 1087 C ASN A 68 103.257 2.172 9.555 1.00 0.00 C ATOM 1088 O ASN A 68 102.057 2.234 9.279 1.00 0.00 O ATOM 1089 CB ASN A 68 104.762 0.618 10.858 1.00 0.00 C ATOM 1090 CG ASN A 68 103.849 0.445 12.049 1.00 0.00 C ATOM 1091 OD1 ASN A 68 103.427 1.411 12.662 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.610 -0.786 12.434 1.00 0.00 N ATOM 0 H ASN A 68 104.707 0.169 7.658 1.00 0.00 H new ATOM 0 HA ASN A 68 103.298 0.059 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 68 105.387 -0.270 10.763 1.00 0.00 H new ATOM 0 HB3 ASN A 68 105.429 1.459 11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 68 103.054 -0.960 13.272 1.00 0.00 H new ATOM 0 HD22 ASN A 68 103.980 -1.570 11.896 1.00 0.00 H new ATOM 1099 N ASP A 69 103.985 3.188 9.814 1.00 0.00 N ATOM 1100 CA ASP A 69 103.511 4.552 9.996 1.00 0.00 C ATOM 1101 C ASP A 69 104.626 5.514 9.641 1.00 0.00 C ATOM 1102 O ASP A 69 104.401 6.574 9.041 1.00 0.00 O ATOM 1103 CB ASP A 69 103.088 4.773 11.459 1.00 0.00 C ATOM 1104 CG ASP A 69 102.873 6.232 11.795 1.00 0.00 C ATOM 1105 OD1 ASP A 69 101.838 6.813 11.387 1.00 0.00 O ATOM 1106 OD2 ASP A 69 103.742 6.830 12.452 1.00 0.00 O ATOM 0 H ASP A 69 104.997 3.111 9.916 1.00 0.00 H new ATOM 0 HA ASP A 69 102.651 4.725 9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.168 4.221 11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 69 103.852 4.362 12.119 1.00 0.00 H new ATOM 1111 N THR A 70 105.827 5.122 10.001 1.00 0.00 N ATOM 1112 CA THR A 70 107.004 5.887 9.770 1.00 0.00 C ATOM 1113 C THR A 70 107.310 5.970 8.284 1.00 0.00 C ATOM 1114 O THR A 70 107.386 4.945 7.571 1.00 0.00 O ATOM 1115 CB THR A 70 108.179 5.227 10.497 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.761 4.905 11.831 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.375 6.164 10.560 1.00 0.00 C ATOM 0 H THR A 70 106.003 4.236 10.475 1.00 0.00 H new ATOM 0 HA THR A 70 106.848 6.898 10.147 1.00 0.00 H new ATOM 0 HB THR A 70 108.476 4.329 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.501 4.479 12.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.196 5.672 11.081 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.690 6.421 9.549 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.098 7.072 11.096 1.00 0.00 H new ATOM 1125 N CYS A 71 107.487 7.168 7.826 1.00 0.00 N ATOM 1126 CA CYS A 71 107.810 7.403 6.480 1.00 0.00 C ATOM 1127 C CYS A 71 109.312 7.288 6.349 1.00 0.00 C ATOM 1128 O CYS A 71 110.056 8.255 6.530 1.00 0.00 O ATOM 1129 CB CYS A 71 107.324 8.778 6.067 1.00 0.00 C ATOM 1130 SG CYS A 71 107.383 9.074 4.287 1.00 0.00 S ATOM 0 H CYS A 71 107.407 8.012 8.393 1.00 0.00 H new ATOM 0 HA CYS A 71 107.327 6.678 5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.299 8.909 6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 71 107.929 9.532 6.571 1.00 0.00 H new ATOM 0 HG CYS A 71 107.981 10.205 4.055 1.00 0.00 H new ATOM 1136 N VAL A 72 109.756 6.091 6.067 1.00 0.00 N ATOM 1137 CA VAL A 72 111.164 5.790 5.929 1.00 0.00 C ATOM 1138 C VAL A 72 111.661 6.219 4.524 1.00 0.00 C ATOM 1139 O VAL A 72 112.816 6.019 4.135 1.00 0.00 O ATOM 1140 CB VAL A 72 111.409 4.287 6.209 1.00 0.00 C ATOM 1141 CG1 VAL A 72 110.809 3.409 5.148 1.00 0.00 C ATOM 1142 CG2 VAL A 72 112.858 3.972 6.437 1.00 0.00 C ATOM 0 H VAL A 72 109.146 5.286 5.924 1.00 0.00 H new ATOM 0 HA VAL A 72 111.740 6.355 6.662 1.00 0.00 H new ATOM 0 HB VAL A 72 110.891 4.063 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 72 111.006 2.364 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 72 109.733 3.575 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 72 111.253 3.651 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 72 112.973 2.905 6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 72 113.433 4.246 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 72 113.222 4.536 7.296 1.00 0.00 H new ATOM 1152 N LEU A 73 110.761 6.826 3.799 1.00 0.00 N ATOM 1153 CA LEU A 73 111.005 7.371 2.511 1.00 0.00 C ATOM 1154 C LEU A 73 111.942 8.536 2.681 1.00 0.00 C ATOM 1155 O LEU A 73 111.578 9.565 3.268 1.00 0.00 O ATOM 1156 CB LEU A 73 109.656 7.835 1.992 1.00 0.00 C ATOM 1157 CG LEU A 73 109.538 8.238 0.548 1.00 0.00 C ATOM 1158 CD1 LEU A 73 110.064 7.135 -0.341 1.00 0.00 C ATOM 1159 CD2 LEU A 73 108.085 8.482 0.250 1.00 0.00 C ATOM 0 H LEU A 73 109.799 6.955 4.113 1.00 0.00 H new ATOM 0 HA LEU A 73 111.453 6.659 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.939 7.033 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.343 8.684 2.599 1.00 0.00 H new ATOM 0 HG LEU A 73 110.121 9.140 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.975 7.435 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 111.112 6.947 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.486 6.226 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.972 8.776 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.518 7.569 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.710 9.277 0.894 1.00 0.00 H new ATOM 1171 N GLY A 74 113.143 8.367 2.189 1.00 0.00 N ATOM 1172 CA GLY A 74 114.148 9.372 2.343 1.00 0.00 C ATOM 1173 C GLY A 74 114.573 9.515 3.787 1.00 0.00 C ATOM 1174 O GLY A 74 114.783 10.628 4.280 1.00 0.00 O ATOM 0 H GLY A 74 113.443 7.537 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 74 115.014 9.119 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.768 10.326 1.978 1.00 0.00 H new ATOM 1178 N HIS A 75 114.642 8.408 4.475 1.00 0.00 N ATOM 1179 CA HIS A 75 115.074 8.394 5.835 1.00 0.00 C ATOM 1180 C HIS A 75 116.571 8.393 5.823 1.00 0.00 C ATOM 1181 O HIS A 75 117.179 7.870 4.895 1.00 0.00 O ATOM 1182 CB HIS A 75 114.577 7.133 6.519 1.00 0.00 C ATOM 1183 CG HIS A 75 113.861 7.369 7.796 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.608 7.942 7.900 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.238 7.078 9.039 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.282 7.978 9.185 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.242 7.465 9.929 1.00 0.00 N ATOM 0 H HIS A 75 114.398 7.491 4.102 1.00 0.00 H new ATOM 0 HA HIS A 75 114.685 9.259 6.372 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.913 6.602 5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.428 6.478 6.709 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.035 8.278 7.126 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.173 6.613 9.314 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.354 8.374 9.570 1.00 0.00 H new ATOM 1195 N THR A 76 117.153 8.989 6.803 1.00 0.00 N ATOM 1196 CA THR A 76 118.571 9.027 6.901 1.00 0.00 C ATOM 1197 C THR A 76 119.065 7.679 7.444 1.00 0.00 C ATOM 1198 O THR A 76 118.374 7.117 8.287 1.00 0.00 O ATOM 1199 CB THR A 76 118.962 10.160 7.872 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.419 11.421 7.416 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.452 10.279 8.030 1.00 0.00 C ATOM 0 H THR A 76 116.661 9.464 7.560 1.00 0.00 H new ATOM 0 HA THR A 76 119.021 9.209 5.925 1.00 0.00 H new ATOM 0 HB THR A 76 118.542 9.909 8.846 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.673 12.132 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.681 11.089 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.852 9.344 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.905 10.491 7.061 1.00 0.00 H new ATOM 1209 N HIS A 77 120.213 7.164 6.977 1.00 0.00 N ATOM 1210 CA HIS A 77 120.739 5.847 7.413 1.00 0.00 C ATOM 1211 C HIS A 77 120.717 5.668 8.905 1.00 0.00 C ATOM 1212 O HIS A 77 120.155 4.688 9.397 1.00 0.00 O ATOM 1213 CB HIS A 77 122.163 5.609 6.864 1.00 0.00 C ATOM 1214 CG HIS A 77 122.818 4.321 7.332 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.405 3.047 6.971 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.873 4.141 8.162 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.203 2.166 7.577 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.116 2.779 8.314 1.00 0.00 N ATOM 0 H HIS A 77 120.803 7.638 6.293 1.00 0.00 H new ATOM 0 HA HIS A 77 120.066 5.099 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.121 5.604 5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.795 6.448 7.155 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.627 2.823 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.438 4.932 8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.116 1.094 7.479 1.00 0.00 H new ATOM 1226 N ALA A 78 121.248 6.628 9.607 1.00 0.00 N ATOM 1227 CA ALA A 78 121.326 6.566 11.051 1.00 0.00 C ATOM 1228 C ALA A 78 119.936 6.474 11.661 1.00 0.00 C ATOM 1229 O ALA A 78 119.731 5.762 12.648 1.00 0.00 O ATOM 1230 CB ALA A 78 122.077 7.759 11.593 1.00 0.00 C ATOM 0 H ALA A 78 121.641 7.478 9.202 1.00 0.00 H new ATOM 0 HA ALA A 78 121.875 5.666 11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.126 7.695 12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.088 7.769 11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.561 8.675 11.306 1.00 0.00 H new ATOM 1236 N GLN A 79 118.971 7.129 11.023 1.00 0.00 N ATOM 1237 CA GLN A 79 117.622 7.125 11.508 1.00 0.00 C ATOM 1238 C GLN A 79 116.943 5.795 11.210 1.00 0.00 C ATOM 1239 O GLN A 79 116.370 5.171 12.099 1.00 0.00 O ATOM 1240 CB GLN A 79 116.789 8.247 10.908 1.00 0.00 C ATOM 1241 CG GLN A 79 117.204 9.663 11.267 1.00 0.00 C ATOM 1242 CD GLN A 79 117.473 9.844 12.736 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.565 10.061 13.533 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.720 9.861 13.089 1.00 0.00 N ATOM 0 H GLN A 79 119.113 7.667 10.168 1.00 0.00 H new ATOM 0 HA GLN A 79 117.683 7.279 12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.814 8.148 9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.753 8.106 11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.100 9.927 10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.419 10.354 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.448 9.676 12.399 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.973 10.059 14.057 1.00 0.00 H new ATOM 1253 N VAL A 80 117.029 5.366 9.957 1.00 0.00 N ATOM 1254 CA VAL A 80 116.401 4.139 9.524 1.00 0.00 C ATOM 1255 C VAL A 80 116.964 2.930 10.258 1.00 0.00 C ATOM 1256 O VAL A 80 116.203 2.108 10.781 1.00 0.00 O ATOM 1257 CB VAL A 80 116.425 3.942 7.965 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.826 4.003 7.399 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.773 2.625 7.607 1.00 0.00 C ATOM 0 H VAL A 80 117.534 5.860 9.222 1.00 0.00 H new ATOM 0 HA VAL A 80 115.349 4.229 9.794 1.00 0.00 H new ATOM 0 HB VAL A 80 115.865 4.765 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.789 3.861 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.267 4.975 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.434 3.217 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.792 2.492 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.317 1.809 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.740 2.624 7.955 1.00 0.00 H new ATOM 1269 N VAL A 81 118.286 2.867 10.377 1.00 0.00 N ATOM 1270 CA VAL A 81 118.925 1.737 11.047 1.00 0.00 C ATOM 1271 C VAL A 81 118.536 1.703 12.519 1.00 0.00 C ATOM 1272 O VAL A 81 118.307 0.643 13.079 1.00 0.00 O ATOM 1273 CB VAL A 81 120.490 1.673 10.854 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.224 2.789 11.579 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.042 0.315 11.259 1.00 0.00 C ATOM 0 H VAL A 81 118.930 3.575 10.024 1.00 0.00 H new ATOM 0 HA VAL A 81 118.547 0.838 10.559 1.00 0.00 H new ATOM 0 HB VAL A 81 120.669 1.818 9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.296 2.691 11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.883 3.753 11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.020 2.725 12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.122 0.303 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.815 0.128 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.585 -0.461 10.645 1.00 0.00 H new ATOM 1285 N LYS A 82 118.397 2.875 13.111 1.00 0.00 N ATOM 1286 CA LYS A 82 117.989 2.998 14.485 1.00 0.00 C ATOM 1287 C LYS A 82 116.615 2.353 14.724 1.00 0.00 C ATOM 1288 O LYS A 82 116.464 1.531 15.614 1.00 0.00 O ATOM 1289 CB LYS A 82 117.961 4.469 14.850 1.00 0.00 C ATOM 1290 CG LYS A 82 117.472 4.777 16.249 1.00 0.00 C ATOM 1291 CD LYS A 82 117.611 6.253 16.573 1.00 0.00 C ATOM 1292 CE LYS A 82 116.809 7.144 15.623 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.951 8.578 15.956 1.00 0.00 N ATOM 0 H LYS A 82 118.566 3.767 12.645 1.00 0.00 H new ATOM 0 HA LYS A 82 118.702 2.471 15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 82 118.966 4.874 14.736 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.324 4.992 14.136 1.00 0.00 H new ATOM 0 HG2 LYS A 82 116.428 4.479 16.345 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.039 4.190 16.971 1.00 0.00 H new ATOM 0 HD2 LYS A 82 117.279 6.429 17.596 1.00 0.00 H new ATOM 0 HD3 LYS A 82 118.663 6.534 16.526 1.00 0.00 H new ATOM 0 HE2 LYS A 82 117.142 6.975 14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.756 6.864 15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 116.792 9.150 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.252 8.837 16.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 117.909 8.757 16.319 1.00 0.00 H new ATOM 1307 N ILE A 83 115.661 2.661 13.872 1.00 0.00 N ATOM 1308 CA ILE A 83 114.287 2.216 14.055 1.00 0.00 C ATOM 1309 C ILE A 83 114.178 0.730 13.773 1.00 0.00 C ATOM 1310 O ILE A 83 113.676 -0.072 14.598 1.00 0.00 O ATOM 1311 CB ILE A 83 113.326 3.021 13.135 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.363 4.509 13.531 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.899 2.469 13.194 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.499 5.407 12.676 1.00 0.00 C ATOM 0 H ILE A 83 115.810 3.224 13.035 1.00 0.00 H new ATOM 0 HA ILE A 83 113.996 2.395 15.090 1.00 0.00 H new ATOM 0 HB ILE A 83 113.663 2.919 12.103 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.047 4.603 14.570 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.393 4.860 13.479 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.255 3.055 12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.897 1.429 12.868 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.528 2.529 14.217 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.586 6.436 13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.827 5.347 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.460 5.086 12.747 1.00 0.00 H new ATOM 1326 N PHE A 84 114.715 0.376 12.647 1.00 0.00 N ATOM 1327 CA PHE A 84 114.688 -0.958 12.134 1.00 0.00 C ATOM 1328 C PHE A 84 115.387 -1.958 13.036 1.00 0.00 C ATOM 1329 O PHE A 84 114.891 -3.061 13.239 1.00 0.00 O ATOM 1330 CB PHE A 84 115.281 -0.959 10.741 1.00 0.00 C ATOM 1331 CG PHE A 84 114.303 -0.608 9.651 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.614 0.590 9.666 1.00 0.00 C ATOM 1333 CD2 PHE A 84 114.059 -1.496 8.621 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.708 0.891 8.678 1.00 0.00 C ATOM 1335 CE2 PHE A 84 113.150 -1.203 7.632 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.475 -0.009 7.658 1.00 0.00 C ATOM 0 H PHE A 84 115.202 1.033 12.037 1.00 0.00 H new ATOM 0 HA PHE A 84 113.649 -1.284 12.094 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.110 -0.252 10.711 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.697 -1.946 10.536 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.790 1.297 10.463 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.591 -2.435 8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.178 1.832 8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.968 -1.911 6.837 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.762 0.226 6.881 1.00 0.00 H new ATOM 1346 N GLN A 85 116.505 -1.569 13.596 1.00 0.00 N ATOM 1347 CA GLN A 85 117.252 -2.457 14.455 1.00 0.00 C ATOM 1348 C GLN A 85 116.744 -2.413 15.913 1.00 0.00 C ATOM 1349 O GLN A 85 117.081 -3.292 16.720 1.00 0.00 O ATOM 1350 CB GLN A 85 118.756 -2.175 14.337 1.00 0.00 C ATOM 1351 CG GLN A 85 119.303 -2.421 12.934 1.00 0.00 C ATOM 1352 CD GLN A 85 119.291 -3.884 12.517 1.00 0.00 C ATOM 1353 OE1 GLN A 85 118.313 -4.398 11.985 1.00 0.00 O ATOM 1354 NE2 GLN A 85 120.392 -4.544 12.708 1.00 0.00 N ATOM 0 H GLN A 85 116.919 -0.645 13.474 1.00 0.00 H new ATOM 0 HA GLN A 85 117.087 -3.480 14.118 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.949 -1.140 14.619 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.294 -2.804 15.046 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.716 -1.845 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.325 -2.047 12.882 1.00 0.00 H new ATOM 0 HE21 GLN A 85 121.189 -4.089 13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 85 120.461 -5.518 12.413 1.00 0.00 H new ATOM 1363 N SER A 86 115.931 -1.402 16.248 1.00 0.00 N ATOM 1364 CA SER A 86 115.316 -1.330 17.578 1.00 0.00 C ATOM 1365 C SER A 86 113.937 -2.014 17.581 1.00 0.00 C ATOM 1366 O SER A 86 113.231 -2.032 18.604 1.00 0.00 O ATOM 1367 CB SER A 86 115.202 0.115 18.071 1.00 0.00 C ATOM 1368 OG SER A 86 116.486 0.730 18.138 1.00 0.00 O ATOM 0 H SER A 86 115.687 -0.632 15.625 1.00 0.00 H new ATOM 0 HA SER A 86 115.969 -1.864 18.268 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.556 0.683 17.401 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.734 0.132 19.055 1.00 0.00 H new ATOM 0 HG SER A 86 116.743 1.048 17.248 1.00 0.00 H new ATOM 1374 N ILE A 87 113.534 -2.492 16.415 1.00 0.00 N ATOM 1375 CA ILE A 87 112.357 -3.309 16.253 1.00 0.00 C ATOM 1376 C ILE A 87 112.366 -4.554 17.213 1.00 0.00 C ATOM 1377 O ILE A 87 113.418 -5.166 17.457 1.00 0.00 O ATOM 1378 CB ILE A 87 112.212 -3.738 14.754 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.532 -2.654 13.910 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.551 -5.049 14.563 1.00 0.00 C ATOM 1381 CD1 ILE A 87 110.988 -3.170 12.583 1.00 0.00 C ATOM 0 H ILE A 87 114.030 -2.316 15.541 1.00 0.00 H new ATOM 0 HA ILE A 87 111.488 -2.714 16.532 1.00 0.00 H new ATOM 0 HB ILE A 87 113.235 -3.861 14.398 1.00 0.00 H new ATOM 0 HG12 ILE A 87 110.715 -2.217 14.484 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.247 -1.855 13.715 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.489 -5.274 13.498 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.130 -5.825 15.064 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.547 -5.015 14.986 1.00 0.00 H new ATOM 0 HD11 ILE A 87 110.520 -2.350 12.038 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.805 -3.581 11.990 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.249 -3.949 12.771 1.00 0.00 H new ATOM 1393 N PRO A 88 111.196 -4.906 17.786 1.00 0.00 N ATOM 1394 CA PRO A 88 111.053 -6.031 18.712 1.00 0.00 C ATOM 1395 C PRO A 88 110.533 -7.313 18.029 1.00 0.00 C ATOM 1396 O PRO A 88 109.824 -7.273 17.020 1.00 0.00 O ATOM 1397 CB PRO A 88 110.003 -5.492 19.686 1.00 0.00 C ATOM 1398 CG PRO A 88 109.147 -4.544 18.872 1.00 0.00 C ATOM 1399 CD PRO A 88 109.903 -4.237 17.588 1.00 0.00 C ATOM 0 HA PRO A 88 112.001 -6.328 19.161 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.404 -6.301 20.105 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.472 -4.976 20.524 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.180 -4.995 18.650 1.00 0.00 H new ATOM 0 HG3 PRO A 88 108.951 -3.629 19.430 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.381 -4.623 16.712 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.024 -3.164 17.440 1.00 0.00 H new ATOM 1407 N ILE A 89 110.927 -8.437 18.575 1.00 0.00 N ATOM 1408 CA ILE A 89 110.506 -9.750 18.099 1.00 0.00 C ATOM 1409 C ILE A 89 109.012 -9.958 18.357 1.00 0.00 C ATOM 1410 O ILE A 89 108.524 -9.645 19.451 1.00 0.00 O ATOM 1411 CB ILE A 89 111.255 -10.864 18.860 1.00 0.00 C ATOM 1412 CG1 ILE A 89 112.742 -10.570 18.897 1.00 0.00 C ATOM 1413 CG2 ILE A 89 110.992 -12.216 18.215 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.557 -11.583 19.629 1.00 0.00 C ATOM 0 H ILE A 89 111.559 -8.476 19.375 1.00 0.00 H new ATOM 0 HA ILE A 89 110.724 -9.796 17.032 1.00 0.00 H new ATOM 0 HB ILE A 89 110.885 -10.895 19.885 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.110 -10.497 17.874 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.895 -9.596 19.361 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.527 -12.991 18.763 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.923 -12.428 18.237 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.337 -12.199 17.181 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.607 -11.292 19.604 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.221 -11.641 20.664 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.439 -12.557 19.154 1.00 0.00 H new ATOM 1426 N GLY A 90 108.298 -10.489 17.375 1.00 0.00 N ATOM 1427 CA GLY A 90 106.901 -10.788 17.568 1.00 0.00 C ATOM 1428 C GLY A 90 106.014 -9.656 17.140 1.00 0.00 C ATOM 1429 O GLY A 90 104.816 -9.636 17.453 1.00 0.00 O ATOM 0 H GLY A 90 108.664 -10.717 16.450 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.642 -11.684 17.004 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.721 -11.011 18.620 1.00 0.00 H new ATOM 1433 N ALA A 91 106.573 -8.711 16.448 1.00 0.00 N ATOM 1434 CA ALA A 91 105.816 -7.488 16.125 1.00 0.00 C ATOM 1435 C ALA A 91 105.447 -7.441 14.628 1.00 0.00 C ATOM 1436 O ALA A 91 105.611 -8.425 13.921 1.00 0.00 O ATOM 1437 CB ALA A 91 106.581 -6.242 16.601 1.00 0.00 C ATOM 0 H ALA A 91 107.528 -8.737 16.092 1.00 0.00 H new ATOM 0 HA ALA A 91 104.870 -7.502 16.666 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.009 -5.348 16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.726 -6.294 17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.551 -6.200 16.106 1.00 0.00 H new ATOM 1443 N SER A 92 104.940 -6.328 14.165 1.00 0.00 N ATOM 1444 CA SER A 92 104.415 -6.225 12.815 1.00 0.00 C ATOM 1445 C SER A 92 104.550 -4.836 12.232 1.00 0.00 C ATOM 1446 O SER A 92 104.361 -3.840 12.930 1.00 0.00 O ATOM 1447 CB SER A 92 102.963 -6.670 12.827 1.00 0.00 C ATOM 1448 OG SER A 92 102.299 -6.367 11.626 1.00 0.00 O ATOM 0 H SER A 92 104.876 -5.466 14.706 1.00 0.00 H new ATOM 0 HA SER A 92 105.006 -6.874 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.917 -7.745 13.003 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.445 -6.188 13.657 1.00 0.00 H new ATOM 0 HG SER A 92 101.365 -6.659 11.686 1.00 0.00 H new ATOM 1454 N VAL A 93 104.851 -4.775 10.950 1.00 0.00 N ATOM 1455 CA VAL A 93 104.885 -3.521 10.205 1.00 0.00 C ATOM 1456 C VAL A 93 104.430 -3.751 8.818 1.00 0.00 C ATOM 1457 O VAL A 93 104.530 -4.864 8.294 1.00 0.00 O ATOM 1458 CB VAL A 93 106.259 -2.807 10.143 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.755 -2.349 11.487 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.269 -3.662 9.446 1.00 0.00 C ATOM 0 H VAL A 93 105.081 -5.595 10.388 1.00 0.00 H new ATOM 0 HA VAL A 93 104.222 -2.860 10.763 1.00 0.00 H new ATOM 0 HB VAL A 93 106.111 -1.898 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.721 -1.858 11.370 1.00 0.00 H new ATOM 0 HG12 VAL A 93 106.041 -1.648 11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.863 -3.209 12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.226 -3.141 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.385 -4.602 9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.933 -3.867 8.430 1.00 0.00 H new ATOM 1470 N ASP A 94 103.954 -2.711 8.244 1.00 0.00 N ATOM 1471 CA ASP A 94 103.480 -2.709 6.912 1.00 0.00 C ATOM 1472 C ASP A 94 104.451 -1.988 6.049 1.00 0.00 C ATOM 1473 O ASP A 94 104.655 -0.793 6.199 1.00 0.00 O ATOM 1474 CB ASP A 94 102.143 -2.023 6.835 1.00 0.00 C ATOM 1475 CG ASP A 94 101.027 -2.813 7.462 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.534 -3.773 6.854 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.608 -2.469 8.593 1.00 0.00 O ATOM 0 H ASP A 94 103.881 -1.804 8.705 1.00 0.00 H new ATOM 0 HA ASP A 94 103.370 -3.739 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.212 -1.053 7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.900 -1.833 5.789 1.00 0.00 H new ATOM 1482 N LEU A 95 105.049 -2.689 5.181 1.00 0.00 N ATOM 1483 CA LEU A 95 106.000 -2.119 4.274 1.00 0.00 C ATOM 1484 C LEU A 95 105.291 -1.692 3.034 1.00 0.00 C ATOM 1485 O LEU A 95 104.619 -2.489 2.365 1.00 0.00 O ATOM 1486 CB LEU A 95 107.142 -3.089 3.876 1.00 0.00 C ATOM 1487 CG LEU A 95 108.092 -3.587 4.972 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.661 -2.447 5.785 1.00 0.00 C ATOM 1489 CD2 LEU A 95 107.430 -4.601 5.856 1.00 0.00 C ATOM 0 H LEU A 95 104.904 -3.692 5.062 1.00 0.00 H new ATOM 0 HA LEU A 95 106.460 -1.278 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.688 -3.963 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.745 -2.597 3.113 1.00 0.00 H new ATOM 0 HG LEU A 95 108.926 -4.077 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.329 -2.843 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 95 109.217 -1.776 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.848 -1.899 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.133 -4.931 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 95 106.558 -4.154 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.117 -5.456 5.257 1.00 0.00 H new ATOM 1501 N GLU A 96 105.385 -0.446 2.766 1.00 0.00 N ATOM 1502 CA GLU A 96 104.866 0.107 1.573 1.00 0.00 C ATOM 1503 C GLU A 96 106.062 0.210 0.678 1.00 0.00 C ATOM 1504 O GLU A 96 106.999 0.970 0.967 1.00 0.00 O ATOM 1505 CB GLU A 96 104.246 1.469 1.856 1.00 0.00 C ATOM 1506 CG GLU A 96 103.345 1.448 3.088 1.00 0.00 C ATOM 1507 CD GLU A 96 102.537 2.696 3.281 1.00 0.00 C ATOM 1508 OE1 GLU A 96 101.408 2.765 2.746 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.974 3.615 3.984 1.00 0.00 O ATOM 0 H GLU A 96 105.834 0.233 3.381 1.00 0.00 H new ATOM 0 HA GLU A 96 104.074 -0.490 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.038 2.204 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 96 103.667 1.790 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.667 0.598 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.962 1.288 3.972 1.00 0.00 H new ATOM 1516 N LEU A 97 106.089 -0.594 -0.325 1.00 0.00 N ATOM 1517 CA LEU A 97 107.263 -0.738 -1.127 1.00 0.00 C ATOM 1518 C LEU A 97 106.908 -0.886 -2.585 1.00 0.00 C ATOM 1519 O LEU A 97 105.770 -1.247 -2.930 1.00 0.00 O ATOM 1520 CB LEU A 97 108.146 -1.919 -0.586 1.00 0.00 C ATOM 1521 CG LEU A 97 107.664 -3.410 -0.701 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.500 -4.270 0.219 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.203 -3.614 -0.364 1.00 0.00 C ATOM 0 H LEU A 97 105.301 -1.172 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 97 107.862 0.169 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.109 -1.855 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.328 -1.723 0.471 1.00 0.00 H new ATOM 0 HG LEU A 97 107.786 -3.693 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.172 -5.307 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.549 -4.200 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.383 -3.924 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 97 105.950 -4.669 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.018 -3.295 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.587 -3.025 -1.043 1.00 0.00 H new ATOM 1535 N CYS A 98 107.838 -0.554 -3.423 1.00 0.00 N ATOM 1536 CA CYS A 98 107.632 -0.626 -4.833 1.00 0.00 C ATOM 1537 C CYS A 98 108.453 -1.747 -5.435 1.00 0.00 C ATOM 1538 O CYS A 98 109.667 -1.824 -5.239 1.00 0.00 O ATOM 1539 CB CYS A 98 107.951 0.716 -5.480 1.00 0.00 C ATOM 1540 SG CYS A 98 106.980 2.079 -4.793 1.00 0.00 S ATOM 0 H CYS A 98 108.763 -0.225 -3.147 1.00 0.00 H new ATOM 0 HA CYS A 98 106.583 -0.850 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 98 109.012 0.932 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.766 0.650 -6.552 1.00 0.00 H new ATOM 0 HG CYS A 98 106.730 2.948 -5.727 1.00 0.00 H new ATOM 1546 N ARG A 99 107.779 -2.604 -6.143 1.00 0.00 N ATOM 1547 CA ARG A 99 108.364 -3.754 -6.779 1.00 0.00 C ATOM 1548 C ARG A 99 108.510 -3.447 -8.252 1.00 0.00 C ATOM 1549 O ARG A 99 107.744 -2.646 -8.790 1.00 0.00 O ATOM 1550 CB ARG A 99 107.407 -4.937 -6.615 1.00 0.00 C ATOM 1551 CG ARG A 99 107.888 -6.249 -7.201 1.00 0.00 C ATOM 1552 CD ARG A 99 109.006 -6.829 -6.379 1.00 0.00 C ATOM 1553 NE ARG A 99 108.557 -7.083 -5.041 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.021 -8.174 -4.577 1.00 0.00 C ATOM 1555 NH1 ARG A 99 107.907 -9.261 -5.328 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.622 -8.179 -3.342 1.00 0.00 N ATOM 0 H ARG A 99 106.775 -2.522 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 99 109.332 -3.992 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.215 -5.082 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.455 -4.679 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.060 -6.957 -7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.228 -6.091 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.359 -7.755 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.850 -6.140 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 99 108.671 -6.319 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.243 -9.253 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.483 -10.105 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.733 -7.344 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.197 -9.018 -2.947 1.00 0.00 H new ATOM 1570 N GLY A 100 109.450 -4.071 -8.909 1.00 0.00 N ATOM 1571 CA GLY A 100 109.592 -3.854 -10.320 1.00 0.00 C ATOM 1572 C GLY A 100 110.973 -3.440 -10.682 1.00 0.00 C ATOM 1573 O GLY A 100 111.294 -3.291 -11.861 1.00 0.00 O ATOM 0 H GLY A 100 110.118 -4.723 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.335 -4.768 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 100 108.887 -3.087 -10.642 1.00 0.00 H new ATOM 1577 N TYR A 101 111.780 -3.229 -9.680 1.00 0.00 N ATOM 1578 CA TYR A 101 113.155 -2.885 -9.870 1.00 0.00 C ATOM 1579 C TYR A 101 113.996 -4.139 -9.948 1.00 0.00 C ATOM 1580 O TYR A 101 114.048 -4.920 -8.993 1.00 0.00 O ATOM 1581 CB TYR A 101 113.639 -1.940 -8.758 1.00 0.00 C ATOM 1582 CG TYR A 101 113.159 -0.527 -8.950 1.00 0.00 C ATOM 1583 CD1 TYR A 101 111.876 -0.145 -8.590 1.00 0.00 C ATOM 1584 CD2 TYR A 101 113.989 0.422 -9.531 1.00 0.00 C ATOM 1585 CE1 TYR A 101 111.438 1.141 -8.799 1.00 0.00 C ATOM 1586 CE2 TYR A 101 113.555 1.707 -9.751 1.00 0.00 C ATOM 1587 CZ TYR A 101 112.283 2.063 -9.382 1.00 0.00 C ATOM 1588 OH TYR A 101 111.836 3.340 -9.624 1.00 0.00 O ATOM 0 H TYR A 101 111.497 -3.292 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 101 113.261 -2.351 -10.814 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.290 -2.310 -7.794 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.729 -1.949 -8.728 1.00 0.00 H new ATOM 0 HD1 TYR A 101 111.212 -0.867 -8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 101 114.994 0.145 -9.815 1.00 0.00 H new ATOM 0 HE1 TYR A 101 110.438 1.428 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 101 114.211 2.431 -10.211 1.00 0.00 H new ATOM 0 HH TYR A 101 112.553 3.865 -10.037 1.00 0.00 H new ATOM 2091 N GLU B 158 124.382 0.068 3.394 1.00 0.00 N ATOM 2092 CA GLU B 158 123.884 -1.263 3.531 1.00 0.00 C ATOM 2093 C GLU B 158 123.286 -1.479 4.933 1.00 0.00 C ATOM 2094 O GLU B 158 123.941 -1.963 5.859 1.00 0.00 O ATOM 2095 CB GLU B 158 124.963 -2.340 3.163 1.00 0.00 C ATOM 2096 CG GLU B 158 126.192 -2.460 4.091 1.00 0.00 C ATOM 2097 CD GLU B 158 127.108 -1.255 4.125 1.00 0.00 C ATOM 2098 OE1 GLU B 158 126.734 -0.204 4.692 1.00 0.00 O ATOM 2099 OE2 GLU B 158 128.243 -1.368 3.647 1.00 0.00 O ATOM 0 HA GLU B 158 123.078 -1.394 2.809 1.00 0.00 H new ATOM 0 HB2 GLU B 158 124.471 -3.312 3.128 1.00 0.00 H new ATOM 0 HB3 GLU B 158 125.321 -2.128 2.156 1.00 0.00 H new ATOM 0 HG2 GLU B 158 125.842 -2.656 5.104 1.00 0.00 H new ATOM 0 HG3 GLU B 158 126.775 -3.328 3.782 1.00 0.00 H new ATOM 2106 N THR B 159 122.064 -1.087 5.102 1.00 0.00 N ATOM 2107 CA THR B 159 121.396 -1.304 6.353 1.00 0.00 C ATOM 2108 C THR B 159 121.019 -2.796 6.391 1.00 0.00 C ATOM 2109 O THR B 159 120.189 -3.262 5.612 1.00 0.00 O ATOM 2110 CB THR B 159 120.133 -0.403 6.465 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.471 0.945 6.036 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.618 -0.345 7.917 1.00 0.00 C ATOM 0 H THR B 159 121.505 -0.614 4.392 1.00 0.00 H new ATOM 0 HA THR B 159 122.038 -1.045 7.195 1.00 0.00 H new ATOM 0 HB THR B 159 119.352 -0.826 5.833 1.00 0.00 H new ATOM 0 HG1 THR B 159 119.679 1.518 6.103 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.735 0.292 7.965 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.359 -1.350 8.252 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.395 0.064 8.563 1.00 0.00 H new ATOM 2120 N GLN B 160 121.697 -3.555 7.203 1.00 0.00 N ATOM 2121 CA GLN B 160 121.448 -4.973 7.250 1.00 0.00 C ATOM 2122 C GLN B 160 120.364 -5.290 8.253 1.00 0.00 C ATOM 2123 O GLN B 160 120.620 -5.423 9.456 1.00 0.00 O ATOM 2124 CB GLN B 160 122.742 -5.754 7.500 1.00 0.00 C ATOM 2125 CG GLN B 160 123.763 -5.567 6.378 1.00 0.00 C ATOM 2126 CD GLN B 160 125.070 -6.323 6.573 1.00 0.00 C ATOM 2127 OE1 GLN B 160 125.720 -6.715 5.595 1.00 0.00 O ATOM 2128 NE2 GLN B 160 125.467 -6.533 7.799 1.00 0.00 N ATOM 0 H GLN B 160 122.422 -3.222 7.839 1.00 0.00 H new ATOM 0 HA GLN B 160 121.081 -5.297 6.276 1.00 0.00 H new ATOM 0 HB2 GLN B 160 123.181 -5.431 8.444 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.509 -6.814 7.602 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.312 -5.885 5.438 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.985 -4.504 6.281 1.00 0.00 H new ATOM 0 HE21 GLN B 160 124.906 -6.196 8.581 1.00 0.00 H new ATOM 0 HE22 GLN B 160 126.338 -7.034 7.974 1.00 0.00 H new ATOM 2137 N VAL B 161 119.157 -5.369 7.751 1.00 0.00 N ATOM 2138 CA VAL B 161 117.998 -5.606 8.552 1.00 0.00 C ATOM 2139 C VAL B 161 117.412 -6.959 8.253 1.00 0.00 C ATOM 2140 O VAL B 161 116.367 -7.027 7.654 1.00 0.00 O ATOM 2141 CB VAL B 161 116.914 -4.497 8.358 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.324 -3.264 9.058 1.00 0.00 C ATOM 2143 CG2 VAL B 161 116.693 -4.159 6.888 1.00 0.00 C ATOM 2144 OXT VAL B 161 118.036 -7.977 8.596 1.00 0.00 O ATOM 0 H VAL B 161 118.956 -5.268 6.756 1.00 0.00 H new ATOM 0 HA VAL B 161 118.318 -5.578 9.593 1.00 0.00 H new ATOM 0 HB VAL B 161 115.984 -4.888 8.770 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.563 -2.496 8.918 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.439 -3.471 10.122 1.00 0.00 H new ATOM 0 HG13 VAL B 161 118.273 -2.913 8.652 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.931 -3.384 6.803 1.00 0.00 H new ATOM 0 HG22 VAL B 161 117.626 -3.800 6.453 1.00 0.00 H new ATOM 0 HG23 VAL B 161 116.364 -5.051 6.355 1.00 0.00 H new