USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 826 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 Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -3.58 K(o=-3.6,f=-14!) USER MOD Single : A 25 THR OG1 : rot -54:sc= 1.42 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.133 K(o=-0.13,f=-7.2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= -1.04 (180deg=-1.37) USER MOD Single : A 79 SER OG : rot 67:sc= 0.693 USER MOD Single : A 80 SER OG : rot 15:sc= 1.21 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -17:sc= 0.045 USER MOD Single : A 92 HIS : no HE2:sc= -1.8! X(o=-1.8!,f=-1.5) USER MOD Single : A 95 LYS NZ :NH3+ -145:sc= 0.0796 (180deg=-1.78!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 0.91 (180deg=0.256) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.44 K(o=-3.4,f=-13!) USER MOD Single : A 107 THR OG1 : rot 160:sc= 0.00875 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.593 -5.007 10.147 1.00 0.00 N ATOM 143 CA ASN A 13 -11.008 -5.769 8.975 1.00 0.00 C ATOM 144 C ASN A 13 -9.979 -5.648 7.855 1.00 0.00 C ATOM 145 O ASN A 13 -10.320 -5.709 6.674 1.00 0.00 O ATOM 146 CB ASN A 13 -12.373 -5.285 8.482 1.00 0.00 C ATOM 147 CG ASN A 13 -13.485 -5.593 9.467 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.912 -6.740 9.600 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.959 -4.566 10.163 1.00 0.00 N ATOM 0 HA ASN A 13 -11.084 -6.817 9.263 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.333 -4.210 8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.598 -5.755 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.707 -4.711 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.575 -3.632 10.020 1.00 0.00 H new ATOM 156 N GLY A 14 -8.716 -5.476 8.235 1.00 0.00 N ATOM 157 CA GLY A 14 -7.656 -5.349 7.251 1.00 0.00 C ATOM 158 C GLY A 14 -6.986 -6.675 6.947 1.00 0.00 C ATOM 159 O GLY A 14 -7.632 -7.722 6.963 1.00 0.00 O ATOM 0 H GLY A 14 -8.408 -5.422 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.066 -4.933 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.909 -4.643 7.615 1.00 0.00 H new ATOM 163 N ALA A 15 -5.688 -6.629 6.667 1.00 0.00 N ATOM 164 CA ALA A 15 -4.931 -7.836 6.357 1.00 0.00 C ATOM 165 C ALA A 15 -3.477 -7.699 6.797 1.00 0.00 C ATOM 166 O ALA A 15 -2.761 -6.808 6.340 1.00 0.00 O ATOM 167 CB ALA A 15 -5.007 -8.139 4.868 1.00 0.00 C ATOM 0 H ALA A 15 -5.139 -5.770 6.648 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.374 -8.665 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.437 -9.043 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.048 -8.288 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.591 -7.304 4.305 1.00 0.00 H new ATOM 173 N ASP A 16 -3.048 -8.587 7.688 1.00 0.00 N ATOM 174 CA ASP A 16 -1.679 -8.565 8.189 1.00 0.00 C ATOM 175 C ASP A 16 -0.727 -9.231 7.200 1.00 0.00 C ATOM 176 O ASP A 16 -0.748 -10.450 7.027 1.00 0.00 O ATOM 177 CB ASP A 16 -1.599 -9.269 9.545 1.00 0.00 C ATOM 178 CG ASP A 16 -0.351 -8.894 10.320 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.759 -9.218 9.849 1.00 0.00 O ATOM 180 OD2 ASP A 16 -0.484 -8.276 11.397 1.00 0.00 O ATOM 0 H ASP A 16 -3.628 -9.330 8.077 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.379 -7.524 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.480 -9.015 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.618 -10.348 9.392 1.00 0.00 H new ATOM 185 N LEU A 17 0.106 -8.423 6.554 1.00 0.00 N ATOM 186 CA LEU A 17 1.066 -8.933 5.581 1.00 0.00 C ATOM 187 C LEU A 17 2.495 -8.770 6.088 1.00 0.00 C ATOM 188 O LEU A 17 2.806 -7.864 6.862 1.00 0.00 O ATOM 189 CB LEU A 17 0.901 -8.207 4.244 1.00 0.00 C ATOM 190 CG LEU A 17 -0.504 -7.694 3.927 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.476 -6.776 2.715 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.457 -8.858 3.696 1.00 0.00 C ATOM 0 H LEU A 17 0.136 -7.412 6.686 1.00 0.00 H new ATOM 0 HA LEU A 17 0.871 -9.996 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.588 -7.361 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.208 -8.883 3.446 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.863 -7.121 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.485 -6.421 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.174 -5.925 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.097 -7.324 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.452 -8.474 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.102 -9.458 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.500 -9.476 4.593 1.00 0.00 H new ATOM 204 N PRO A 18 3.387 -9.667 5.643 1.00 0.00 N ATOM 205 CA PRO A 18 4.799 -9.642 6.037 1.00 0.00 C ATOM 206 C PRO A 18 5.547 -8.455 5.439 1.00 0.00 C ATOM 207 O PRO A 18 6.587 -8.044 5.951 1.00 0.00 O ATOM 208 CB PRO A 18 5.347 -10.957 5.475 1.00 0.00 C ATOM 209 CG PRO A 18 4.447 -11.286 4.334 1.00 0.00 C ATOM 210 CD PRO A 18 3.087 -10.774 4.719 1.00 0.00 C ATOM 0 HA PRO A 18 4.919 -9.540 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.380 -10.847 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.335 -11.745 6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.795 -10.816 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.423 -12.361 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.526 -10.431 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.488 -11.547 5.200 1.00 0.00 H new ATOM 218 N ASN A 19 5.009 -7.909 4.353 1.00 0.00 N ATOM 219 CA ASN A 19 5.627 -6.768 3.686 1.00 0.00 C ATOM 220 C ASN A 19 5.110 -5.455 4.265 1.00 0.00 C ATOM 221 O ASN A 19 5.844 -4.470 4.349 1.00 0.00 O ATOM 222 CB ASN A 19 5.351 -6.820 2.182 1.00 0.00 C ATOM 223 CG ASN A 19 6.149 -7.905 1.485 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.549 -8.891 2.103 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.385 -7.725 0.190 1.00 0.00 N ATOM 0 H ASN A 19 4.148 -8.238 3.916 1.00 0.00 H new ATOM 0 HA ASN A 19 6.703 -6.819 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.287 -6.992 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.591 -5.854 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.918 -8.420 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.034 -6.892 -0.281 1.00 0.00 H new ATOM 232 N TYR A 20 3.842 -5.448 4.662 1.00 0.00 N ATOM 233 CA TYR A 20 3.226 -4.256 5.231 1.00 0.00 C ATOM 234 C TYR A 20 1.816 -4.556 5.730 1.00 0.00 C ATOM 235 O TYR A 20 1.134 -5.437 5.205 1.00 0.00 O ATOM 236 CB TYR A 20 3.183 -3.133 4.193 1.00 0.00 C ATOM 237 CG TYR A 20 2.663 -3.576 2.844 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.356 -4.021 2.693 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.480 -3.552 1.720 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.877 -4.427 1.463 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.010 -3.955 0.486 1.00 0.00 C ATOM 242 CZ TYR A 20 1.707 -4.392 0.362 1.00 0.00 C ATOM 243 OH TYR A 20 1.235 -4.796 -0.866 1.00 0.00 O ATOM 0 H TYR A 20 3.221 -6.255 4.600 1.00 0.00 H new ATOM 0 HA TYR A 20 3.831 -3.935 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.554 -2.326 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.186 -2.724 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.703 -4.050 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.501 -3.212 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.142 -4.770 1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.658 -3.928 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 20 1.946 -4.708 -1.535 1.00 0.00 H new ATOM 253 N ARG A 21 1.385 -3.818 6.748 1.00 0.00 N ATOM 254 CA ARG A 21 0.057 -4.004 7.319 1.00 0.00 C ATOM 255 C ARG A 21 -0.842 -2.812 7.007 1.00 0.00 C ATOM 256 O ARG A 21 -0.394 -1.665 7.017 1.00 0.00 O ATOM 257 CB ARG A 21 0.153 -4.201 8.833 1.00 0.00 C ATOM 258 CG ARG A 21 1.105 -3.231 9.514 1.00 0.00 C ATOM 259 CD ARG A 21 2.517 -3.791 9.582 1.00 0.00 C ATOM 260 NE ARG A 21 3.269 -3.246 10.709 1.00 0.00 N ATOM 261 CZ ARG A 21 3.932 -2.096 10.663 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.935 -1.373 9.551 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.593 -1.666 11.730 1.00 0.00 N ATOM 0 H ARG A 21 1.937 -3.085 7.194 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.382 -4.895 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.840 -4.089 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.478 -5.221 9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.113 -2.286 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.749 -3.017 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.472 -4.877 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.041 -3.565 8.653 1.00 0.00 H new ATOM 0 HE ARG A 21 3.286 -3.778 11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.427 -1.700 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.445 -0.490 9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.593 -2.219 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.102 -0.783 11.693 1.00 0.00 H new ATOM 277 N TRP A 22 -2.110 -3.091 6.729 1.00 0.00 N ATOM 278 CA TRP A 22 -3.072 -2.041 6.412 1.00 0.00 C ATOM 279 C TRP A 22 -4.463 -2.408 6.916 1.00 0.00 C ATOM 280 O TRP A 22 -4.845 -3.578 6.919 1.00 0.00 O ATOM 281 CB TRP A 22 -3.111 -1.794 4.903 1.00 0.00 C ATOM 282 CG TRP A 22 -3.605 -2.973 4.121 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.845 -3.922 3.500 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.971 -3.327 3.876 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.655 -4.845 2.883 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.964 -4.503 3.100 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.199 -2.767 4.238 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.137 -5.124 2.680 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.362 -3.385 3.821 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.325 -4.554 3.049 1.00 0.00 C ATOM 0 H TRP A 22 -2.496 -4.035 6.717 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.753 -1.127 6.914 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.753 -0.937 4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.110 -1.532 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.765 -3.944 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.334 -5.653 2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.238 -1.867 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.110 -6.024 2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.316 -2.960 4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.252 -5.014 2.739 1.00 0.00 H new ATOM 301 N THR A 23 -5.219 -1.400 7.341 1.00 0.00 N ATOM 302 CA THR A 23 -6.568 -1.617 7.848 1.00 0.00 C ATOM 303 C THR A 23 -7.591 -0.819 7.047 1.00 0.00 C ATOM 304 O THR A 23 -7.235 0.095 6.304 1.00 0.00 O ATOM 305 CB THR A 23 -6.680 -1.227 9.334 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.065 0.047 9.554 1.00 0.00 O ATOM 307 CG2 THR A 23 -6.019 -2.273 10.219 1.00 0.00 C ATOM 0 H THR A 23 -4.919 -0.425 7.344 1.00 0.00 H new ATOM 0 HA THR A 23 -6.777 -2.682 7.743 1.00 0.00 H new ATOM 0 HB THR A 23 -7.737 -1.170 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.142 0.288 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.111 -1.976 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.508 -3.236 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.964 -2.357 9.957 1.00 0.00 H new ATOM 315 N GLN A 24 -8.863 -1.171 7.204 1.00 0.00 N ATOM 316 CA GLN A 24 -9.938 -0.487 6.494 1.00 0.00 C ATOM 317 C GLN A 24 -11.137 -0.262 7.409 1.00 0.00 C ATOM 318 O GLN A 24 -11.575 -1.173 8.113 1.00 0.00 O ATOM 319 CB GLN A 24 -10.362 -1.295 5.267 1.00 0.00 C ATOM 320 CG GLN A 24 -10.940 -2.660 5.607 1.00 0.00 C ATOM 321 CD GLN A 24 -11.557 -3.348 4.405 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.692 -3.060 4.025 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.810 -4.263 3.799 1.00 0.00 N ATOM 0 H GLN A 24 -9.174 -1.925 7.816 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.565 0.484 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.103 -0.726 4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.500 -1.427 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.153 -3.292 6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.696 -2.547 6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.874 -4.470 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.172 -4.759 2.984 1.00 0.00 H new ATOM 332 N THR A 25 -11.664 0.959 7.396 1.00 0.00 N ATOM 333 CA THR A 25 -12.812 1.305 8.225 1.00 0.00 C ATOM 334 C THR A 25 -13.886 2.014 7.409 1.00 0.00 C ATOM 335 O THR A 25 -13.580 2.800 6.511 1.00 0.00 O ATOM 336 CB THR A 25 -12.401 2.205 9.405 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.871 3.442 8.916 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.365 1.514 10.278 1.00 0.00 C ATOM 0 H THR A 25 -11.314 1.725 6.820 1.00 0.00 H new ATOM 0 HA THR A 25 -13.215 0.370 8.614 1.00 0.00 H new ATOM 0 HB THR A 25 -13.287 2.403 10.008 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.147 3.260 8.281 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.090 2.169 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.782 0.587 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.479 1.290 9.683 1.00 0.00 H new ATOM 346 N LEU A 26 -15.145 1.733 7.725 1.00 0.00 N ATOM 347 CA LEU A 26 -16.266 2.346 7.021 1.00 0.00 C ATOM 348 C LEU A 26 -16.002 3.825 6.760 1.00 0.00 C ATOM 349 O LEU A 26 -16.564 4.412 5.835 1.00 0.00 O ATOM 350 CB LEU A 26 -17.554 2.181 7.831 1.00 0.00 C ATOM 351 CG LEU A 26 -18.335 0.888 7.593 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.588 0.855 8.454 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.693 0.744 6.121 1.00 0.00 C ATOM 0 H LEU A 26 -15.415 1.084 8.464 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.380 1.842 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.304 2.241 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.209 3.024 7.610 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.702 0.047 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.131 -0.072 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.308 0.910 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.224 1.704 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.248 -0.182 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.307 1.590 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.781 0.721 5.525 1.00 0.00 H new ATOM 365 N ALA A 27 -15.143 4.421 7.580 1.00 0.00 N ATOM 366 CA ALA A 27 -14.801 5.831 7.435 1.00 0.00 C ATOM 367 C ALA A 27 -13.700 6.025 6.397 1.00 0.00 C ATOM 368 O ALA A 27 -13.903 6.688 5.381 1.00 0.00 O ATOM 369 CB ALA A 27 -14.374 6.411 8.775 1.00 0.00 C ATOM 0 H ALA A 27 -14.671 3.950 8.352 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.688 6.361 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.122 7.464 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.191 6.315 9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.503 5.870 9.145 1.00 0.00 H new ATOM 375 N GLU A 28 -12.535 5.442 6.661 1.00 0.00 N ATOM 376 CA GLU A 28 -11.402 5.553 5.750 1.00 0.00 C ATOM 377 C GLU A 28 -10.482 4.342 5.876 1.00 0.00 C ATOM 378 O GLU A 28 -10.711 3.457 6.701 1.00 0.00 O ATOM 379 CB GLU A 28 -10.617 6.836 6.031 1.00 0.00 C ATOM 380 CG GLU A 28 -10.053 6.908 7.440 1.00 0.00 C ATOM 381 CD GLU A 28 -8.887 5.961 7.651 1.00 0.00 C ATOM 382 OE1 GLU A 28 -7.772 6.280 7.190 1.00 0.00 O ATOM 383 OE2 GLU A 28 -9.092 4.900 8.278 1.00 0.00 O ATOM 0 H GLU A 28 -12.351 4.888 7.498 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.789 5.589 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.798 6.915 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.268 7.694 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.729 7.928 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.841 6.673 8.155 1.00 0.00 H new ATOM 390 N LEU A 29 -9.440 4.310 5.052 1.00 0.00 N ATOM 391 CA LEU A 29 -8.484 3.209 5.070 1.00 0.00 C ATOM 392 C LEU A 29 -7.113 3.685 5.540 1.00 0.00 C ATOM 393 O LEU A 29 -6.779 4.863 5.417 1.00 0.00 O ATOM 394 CB LEU A 29 -8.370 2.584 3.678 1.00 0.00 C ATOM 395 CG LEU A 29 -8.027 1.095 3.637 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.637 0.440 2.408 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.519 0.894 3.657 1.00 0.00 C ATOM 0 H LEU A 29 -9.236 5.034 4.363 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.847 2.457 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.315 2.733 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.608 3.127 3.119 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.449 0.621 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.382 -0.620 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.721 0.552 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.246 0.917 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.294 -0.172 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.075 1.383 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.106 1.327 4.568 1.00 0.00 H new ATOM 409 N ASP A 30 -6.324 2.761 6.076 1.00 0.00 N ATOM 410 CA ASP A 30 -4.988 3.085 6.562 1.00 0.00 C ATOM 411 C ASP A 30 -3.971 2.052 6.085 1.00 0.00 C ATOM 412 O ASP A 30 -4.300 0.879 5.902 1.00 0.00 O ATOM 413 CB ASP A 30 -4.981 3.158 8.089 1.00 0.00 C ATOM 414 CG ASP A 30 -5.290 4.550 8.603 1.00 0.00 C ATOM 415 OD1 ASP A 30 -4.929 5.530 7.918 1.00 0.00 O ATOM 416 OD2 ASP A 30 -5.894 4.660 9.691 1.00 0.00 O ATOM 0 H ASP A 30 -6.586 1.781 6.185 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.708 4.058 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.714 2.456 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.005 2.845 8.460 1.00 0.00 H new ATOM 421 N LEU A 31 -2.735 2.496 5.884 1.00 0.00 N ATOM 422 CA LEU A 31 -1.669 1.610 5.427 1.00 0.00 C ATOM 423 C LEU A 31 -0.360 1.918 6.146 1.00 0.00 C ATOM 424 O LEU A 31 -0.077 3.069 6.476 1.00 0.00 O ATOM 425 CB LEU A 31 -1.479 1.747 3.915 1.00 0.00 C ATOM 426 CG LEU A 31 -0.063 1.503 3.393 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.305 0.032 3.513 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.060 1.969 1.949 1.00 0.00 C ATOM 0 H LEU A 31 -2.446 3.463 6.030 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.957 0.585 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.153 1.048 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.786 2.750 3.620 1.00 0.00 H new ATOM 0 HG LEU A 31 0.633 2.081 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.316 -0.122 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.257 -0.271 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.394 -0.567 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.074 1.788 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.646 1.418 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.160 3.035 1.891 1.00 0.00 H new ATOM 440 N ALA A 32 0.437 0.881 6.384 1.00 0.00 N ATOM 441 CA ALA A 32 1.718 1.041 7.059 1.00 0.00 C ATOM 442 C ALA A 32 2.788 0.159 6.424 1.00 0.00 C ATOM 443 O ALA A 32 2.792 -1.058 6.607 1.00 0.00 O ATOM 444 CB ALA A 32 1.578 0.721 8.540 1.00 0.00 C ATOM 0 H ALA A 32 0.217 -0.079 6.119 1.00 0.00 H new ATOM 0 HA ALA A 32 2.030 2.080 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.543 0.845 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.851 1.397 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.239 -0.308 8.659 1.00 0.00 H new ATOM 450 N VAL A 33 3.694 0.781 5.676 1.00 0.00 N ATOM 451 CA VAL A 33 4.769 0.052 5.014 1.00 0.00 C ATOM 452 C VAL A 33 6.110 0.318 5.689 1.00 0.00 C ATOM 453 O VAL A 33 6.712 1.380 5.532 1.00 0.00 O ATOM 454 CB VAL A 33 4.872 0.432 3.525 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.028 -0.302 2.864 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.562 0.137 2.809 1.00 0.00 C ATOM 0 H VAL A 33 3.705 1.788 5.513 1.00 0.00 H new ATOM 0 HA VAL A 33 4.528 -1.008 5.095 1.00 0.00 H new ATOM 0 HB VAL A 33 5.066 1.502 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.084 -0.020 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.960 -0.035 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.869 -1.377 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.652 0.411 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.335 -0.926 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.759 0.714 3.267 1.00 0.00 H new ATOM 466 N PRO A 34 6.592 -0.670 6.459 1.00 0.00 N ATOM 467 CA PRO A 34 7.868 -0.566 7.172 1.00 0.00 C ATOM 468 C PRO A 34 9.064 -0.588 6.227 1.00 0.00 C ATOM 469 O PRO A 34 9.244 -1.533 5.458 1.00 0.00 O ATOM 470 CB PRO A 34 7.874 -1.806 8.070 1.00 0.00 C ATOM 471 CG PRO A 34 6.987 -2.781 7.375 1.00 0.00 C ATOM 472 CD PRO A 34 5.927 -1.963 6.691 1.00 0.00 C ATOM 0 HA PRO A 34 7.954 0.374 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.882 -2.203 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.502 -1.574 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.549 -3.374 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.543 -3.480 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.605 -2.423 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.040 -1.853 7.314 1.00 0.00 H new ATOM 480 N PHE A 35 9.880 0.459 6.289 1.00 0.00 N ATOM 481 CA PHE A 35 11.060 0.561 5.438 1.00 0.00 C ATOM 482 C PHE A 35 12.312 0.115 6.187 1.00 0.00 C ATOM 483 O PHE A 35 12.449 0.358 7.387 1.00 0.00 O ATOM 484 CB PHE A 35 11.234 1.997 4.940 1.00 0.00 C ATOM 485 CG PHE A 35 10.318 2.353 3.804 1.00 0.00 C ATOM 486 CD1 PHE A 35 9.024 1.860 3.759 1.00 0.00 C ATOM 487 CD2 PHE A 35 10.751 3.180 2.780 1.00 0.00 C ATOM 488 CE1 PHE A 35 8.178 2.185 2.715 1.00 0.00 C ATOM 489 CE2 PHE A 35 9.910 3.510 1.734 1.00 0.00 C ATOM 490 CZ PHE A 35 8.623 3.011 1.701 1.00 0.00 C ATOM 0 H PHE A 35 9.746 1.249 6.920 1.00 0.00 H new ATOM 0 HA PHE A 35 10.917 -0.098 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.057 2.684 5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.267 2.140 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.672 1.214 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.757 3.571 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.172 1.794 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.259 4.158 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.965 3.266 0.883 1.00 0.00 H new ATOM 500 N ARG A 36 13.221 -0.538 5.472 1.00 0.00 N ATOM 501 CA ARG A 36 14.461 -1.020 6.070 1.00 0.00 C ATOM 502 C ARG A 36 15.538 0.061 6.032 1.00 0.00 C ATOM 503 O ARG A 36 16.384 0.078 5.138 1.00 0.00 O ATOM 504 CB ARG A 36 14.953 -2.270 5.338 1.00 0.00 C ATOM 505 CG ARG A 36 14.276 -3.551 5.799 1.00 0.00 C ATOM 506 CD ARG A 36 14.453 -4.671 4.786 1.00 0.00 C ATOM 507 NE ARG A 36 15.827 -5.166 4.752 1.00 0.00 N ATOM 508 CZ ARG A 36 16.159 -6.383 4.337 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.223 -7.225 3.923 1.00 0.00 N ATOM 510 NH2 ARG A 36 17.432 -6.760 4.336 1.00 0.00 N ATOM 0 H ARG A 36 13.123 -0.746 4.478 1.00 0.00 H new ATOM 0 HA ARG A 36 14.259 -1.273 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.785 -2.144 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.029 -2.365 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.691 -3.858 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.213 -3.366 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.778 -5.491 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.172 -4.312 3.796 1.00 0.00 H new ATOM 0 HE ARG A 36 16.572 -4.543 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.244 -6.939 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.482 -8.159 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.155 -6.115 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.687 -7.695 4.017 1.00 0.00 H new ATOM 524 N VAL A 37 15.500 0.961 7.010 1.00 0.00 N ATOM 525 CA VAL A 37 16.472 2.044 7.089 1.00 0.00 C ATOM 526 C VAL A 37 16.900 2.295 8.531 1.00 0.00 C ATOM 527 O VAL A 37 16.154 2.010 9.468 1.00 0.00 O ATOM 528 CB VAL A 37 15.908 3.350 6.498 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.527 3.155 5.039 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.714 3.829 7.310 1.00 0.00 C ATOM 0 H VAL A 37 14.807 0.961 7.758 1.00 0.00 H new ATOM 0 HA VAL A 37 17.338 1.734 6.504 1.00 0.00 H new ATOM 0 HB VAL A 37 16.683 4.115 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.131 4.088 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.408 2.861 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.769 2.376 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.328 4.753 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.934 3.067 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.023 4.011 8.339 1.00 0.00 H new ATOM 540 N SER A 38 18.105 2.829 8.701 1.00 0.00 N ATOM 541 CA SER A 38 18.634 3.115 10.029 1.00 0.00 C ATOM 542 C SER A 38 18.715 4.620 10.269 1.00 0.00 C ATOM 543 O SER A 38 19.454 5.082 11.139 1.00 0.00 O ATOM 544 CB SER A 38 20.017 2.485 10.197 1.00 0.00 C ATOM 545 OG SER A 38 20.258 2.136 11.550 1.00 0.00 O ATOM 0 H SER A 38 18.733 3.072 7.935 1.00 0.00 H new ATOM 0 HA SER A 38 17.955 2.683 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.094 1.597 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.782 3.183 9.856 1.00 0.00 H new ATOM 0 HG SER A 38 21.148 1.734 11.631 1.00 0.00 H new ATOM 551 N PHE A 39 17.951 5.379 9.491 1.00 0.00 N ATOM 552 CA PHE A 39 17.937 6.832 9.617 1.00 0.00 C ATOM 553 C PHE A 39 16.532 7.383 9.394 1.00 0.00 C ATOM 554 O PHE A 39 15.592 6.631 9.133 1.00 0.00 O ATOM 555 CB PHE A 39 18.908 7.461 8.616 1.00 0.00 C ATOM 556 CG PHE A 39 18.588 7.137 7.185 1.00 0.00 C ATOM 557 CD1 PHE A 39 19.073 5.980 6.597 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.802 7.990 6.427 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.780 5.680 5.280 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.505 7.696 5.110 1.00 0.00 C ATOM 561 CZ PHE A 39 17.994 6.539 4.536 1.00 0.00 C ATOM 0 H PHE A 39 17.333 5.012 8.767 1.00 0.00 H new ATOM 0 HA PHE A 39 18.253 7.087 10.629 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.900 8.543 8.746 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.919 7.121 8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.687 5.305 7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.417 8.896 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.165 4.775 4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.891 8.370 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.762 6.306 3.507 1.00 0.00 H new ATOM 571 N ARG A 40 16.396 8.701 9.499 1.00 0.00 N ATOM 572 CA ARG A 40 15.106 9.354 9.311 1.00 0.00 C ATOM 573 C ARG A 40 14.849 9.633 7.833 1.00 0.00 C ATOM 574 O ARG A 40 15.610 10.352 7.184 1.00 0.00 O ATOM 575 CB ARG A 40 15.051 10.660 10.105 1.00 0.00 C ATOM 576 CG ARG A 40 13.638 11.115 10.432 1.00 0.00 C ATOM 577 CD ARG A 40 13.072 12.005 9.337 1.00 0.00 C ATOM 578 NE ARG A 40 11.700 12.417 9.622 1.00 0.00 N ATOM 579 CZ ARG A 40 11.115 13.466 9.054 1.00 0.00 C ATOM 580 NH1 ARG A 40 11.779 14.205 8.176 1.00 0.00 N ATOM 581 NH2 ARG A 40 9.863 13.778 9.365 1.00 0.00 N ATOM 0 H ARG A 40 17.164 9.338 9.713 1.00 0.00 H new ATOM 0 HA ARG A 40 14.330 8.682 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.607 10.534 11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.553 11.443 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.995 10.244 10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.639 11.656 11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.701 12.889 9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.101 11.473 8.386 1.00 0.00 H new ATOM 0 HE ARG A 40 11.162 11.870 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.742 13.969 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.327 15.010 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.349 13.212 10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.415 14.584 8.928 1.00 0.00 H new ATOM 595 N LEU A 41 13.771 9.061 7.307 1.00 0.00 N ATOM 596 CA LEU A 41 13.413 9.248 5.905 1.00 0.00 C ATOM 597 C LEU A 41 12.834 10.640 5.672 1.00 0.00 C ATOM 598 O LEU A 41 12.054 11.144 6.481 1.00 0.00 O ATOM 599 CB LEU A 41 12.404 8.184 5.470 1.00 0.00 C ATOM 600 CG LEU A 41 12.935 6.753 5.378 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.843 5.809 4.899 1.00 0.00 C ATOM 602 CD2 LEU A 41 14.141 6.691 4.452 1.00 0.00 C ATOM 0 H LEU A 41 13.130 8.464 7.830 1.00 0.00 H new ATOM 0 HA LEU A 41 14.319 9.147 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.569 8.196 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.006 8.466 4.495 1.00 0.00 H new ATOM 0 HG LEU A 41 13.249 6.437 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.239 4.795 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.009 5.832 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.498 6.122 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.506 5.665 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.852 7.026 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.930 7.337 4.838 1.00 0.00 H new ATOM 614 N LYS A 42 13.219 11.256 4.560 1.00 0.00 N ATOM 615 CA LYS A 42 12.737 12.589 4.217 1.00 0.00 C ATOM 616 C LYS A 42 11.629 12.514 3.171 1.00 0.00 C ATOM 617 O LYS A 42 11.726 11.760 2.203 1.00 0.00 O ATOM 618 CB LYS A 42 13.888 13.452 3.695 1.00 0.00 C ATOM 619 CG LYS A 42 15.066 13.536 4.650 1.00 0.00 C ATOM 620 CD LYS A 42 14.703 14.291 5.918 1.00 0.00 C ATOM 621 CE LYS A 42 14.421 15.758 5.632 1.00 0.00 C ATOM 622 NZ LYS A 42 14.473 16.584 6.870 1.00 0.00 N ATOM 0 H LYS A 42 13.864 10.853 3.880 1.00 0.00 H new ATOM 0 HA LYS A 42 12.331 13.044 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.231 13.048 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.517 14.458 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.400 12.531 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.901 14.033 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.826 13.834 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.518 14.210 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.149 16.134 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.438 15.856 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.276 17.577 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.761 16.241 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.419 16.511 7.296 1.00 0.00 H new ATOM 636 N GLY A 43 10.577 13.302 3.372 1.00 0.00 N ATOM 637 CA GLY A 43 9.467 13.310 2.437 1.00 0.00 C ATOM 638 C GLY A 43 9.923 13.206 0.995 1.00 0.00 C ATOM 639 O GLY A 43 9.272 12.558 0.175 1.00 0.00 O ATOM 0 H GLY A 43 10.474 13.935 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.799 12.480 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.892 14.227 2.568 1.00 0.00 H new ATOM 643 N LYS A 44 11.044 13.847 0.683 1.00 0.00 N ATOM 644 CA LYS A 44 11.587 13.825 -0.670 1.00 0.00 C ATOM 645 C LYS A 44 12.286 12.499 -0.954 1.00 0.00 C ATOM 646 O LYS A 44 12.222 11.979 -2.068 1.00 0.00 O ATOM 647 CB LYS A 44 12.568 14.983 -0.867 1.00 0.00 C ATOM 648 CG LYS A 44 13.824 14.868 -0.021 1.00 0.00 C ATOM 649 CD LYS A 44 14.454 16.227 0.230 1.00 0.00 C ATOM 650 CE LYS A 44 15.651 16.123 1.164 1.00 0.00 C ATOM 651 NZ LYS A 44 16.615 17.238 0.955 1.00 0.00 N ATOM 0 H LYS A 44 11.595 14.389 1.349 1.00 0.00 H new ATOM 0 HA LYS A 44 10.758 13.936 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.852 15.033 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.064 15.920 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.580 14.398 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.543 14.220 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.768 16.664 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.712 16.899 0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.307 16.130 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.156 15.171 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.416 17.132 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.963 17.217 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.140 18.146 1.134 1.00 0.00 H new ATOM 665 N ASP A 45 12.952 11.958 0.060 1.00 0.00 N ATOM 666 CA ASP A 45 13.661 10.691 -0.081 1.00 0.00 C ATOM 667 C ASP A 45 12.708 9.579 -0.507 1.00 0.00 C ATOM 668 O ASP A 45 13.048 8.743 -1.344 1.00 0.00 O ATOM 669 CB ASP A 45 14.345 10.317 1.235 1.00 0.00 C ATOM 670 CG ASP A 45 15.400 11.324 1.646 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.893 12.061 0.766 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.733 11.377 2.848 1.00 0.00 O ATOM 0 H ASP A 45 13.016 12.376 0.988 1.00 0.00 H new ATOM 0 HA ASP A 45 14.419 10.811 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.595 10.240 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.805 9.334 1.135 1.00 0.00 H new ATOM 677 N VAL A 46 11.513 9.575 0.075 1.00 0.00 N ATOM 678 CA VAL A 46 10.510 8.567 -0.244 1.00 0.00 C ATOM 679 C VAL A 46 9.548 9.067 -1.316 1.00 0.00 C ATOM 680 O VAL A 46 9.333 10.271 -1.459 1.00 0.00 O ATOM 681 CB VAL A 46 9.704 8.161 1.004 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.620 7.560 2.059 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.948 9.358 1.561 1.00 0.00 C ATOM 0 H VAL A 46 11.216 10.259 0.771 1.00 0.00 H new ATOM 0 HA VAL A 46 11.047 7.696 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 46 8.976 7.403 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.033 7.279 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.112 6.676 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.373 8.294 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.384 9.054 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.656 10.140 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.262 9.739 0.805 1.00 0.00 H new ATOM 693 N VAL A 47 8.971 8.135 -2.068 1.00 0.00 N ATOM 694 CA VAL A 47 8.030 8.482 -3.127 1.00 0.00 C ATOM 695 C VAL A 47 6.658 7.872 -2.864 1.00 0.00 C ATOM 696 O VAL A 47 6.468 6.663 -2.999 1.00 0.00 O ATOM 697 CB VAL A 47 8.535 8.009 -4.503 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.518 8.334 -5.586 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.883 8.638 -4.821 1.00 0.00 C ATOM 0 H VAL A 47 9.138 7.134 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 47 7.946 9.569 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 47 8.663 6.927 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.892 7.992 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.577 7.832 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.355 9.411 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.225 8.293 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.784 9.723 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.608 8.349 -4.060 1.00 0.00 H new ATOM 709 N VAL A 48 5.703 8.716 -2.488 1.00 0.00 N ATOM 710 CA VAL A 48 4.347 8.261 -2.208 1.00 0.00 C ATOM 711 C VAL A 48 3.332 8.985 -3.085 1.00 0.00 C ATOM 712 O VAL A 48 2.892 10.089 -2.763 1.00 0.00 O ATOM 713 CB VAL A 48 3.977 8.478 -0.728 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.508 8.158 -0.493 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.866 7.634 0.172 1.00 0.00 C ATOM 0 H VAL A 48 5.844 9.719 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 48 4.319 7.194 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 48 4.140 9.527 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.265 8.317 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.890 8.809 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.315 7.118 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.591 7.800 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.737 6.580 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.908 7.917 0.023 1.00 0.00 H new ATOM 725 N ASP A 49 2.963 8.355 -4.195 1.00 0.00 N ATOM 726 CA ASP A 49 1.997 8.937 -5.120 1.00 0.00 C ATOM 727 C ASP A 49 0.577 8.510 -4.764 1.00 0.00 C ATOM 728 O ASP A 49 0.267 7.319 -4.732 1.00 0.00 O ATOM 729 CB ASP A 49 2.322 8.525 -6.557 1.00 0.00 C ATOM 730 CG ASP A 49 1.630 9.402 -7.581 1.00 0.00 C ATOM 731 OD1 ASP A 49 2.037 10.573 -7.731 1.00 0.00 O ATOM 732 OD2 ASP A 49 0.681 8.918 -8.233 1.00 0.00 O ATOM 0 H ASP A 49 3.318 7.441 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 49 2.062 10.022 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.400 8.573 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.024 7.488 -6.711 1.00 0.00 H new ATOM 737 N ILE A 50 -0.280 9.489 -4.496 1.00 0.00 N ATOM 738 CA ILE A 50 -1.667 9.213 -4.142 1.00 0.00 C ATOM 739 C ILE A 50 -2.620 9.714 -5.222 1.00 0.00 C ATOM 740 O ILE A 50 -2.614 10.894 -5.570 1.00 0.00 O ATOM 741 CB ILE A 50 -2.045 9.864 -2.798 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.132 9.350 -1.683 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.503 9.585 -2.466 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.161 10.205 -0.436 1.00 0.00 C ATOM 0 H ILE A 50 -0.039 10.480 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.760 8.131 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.912 10.942 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.426 8.333 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.109 9.300 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.755 10.051 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.140 9.995 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.661 8.509 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.491 9.781 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.838 11.217 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.176 10.234 -0.039 1.00 0.00 H new ATOM 756 N GLN A 51 -3.439 8.808 -5.747 1.00 0.00 N ATOM 757 CA GLN A 51 -4.399 9.159 -6.787 1.00 0.00 C ATOM 758 C GLN A 51 -5.818 8.798 -6.362 1.00 0.00 C ATOM 759 O GLN A 51 -6.045 8.347 -5.239 1.00 0.00 O ATOM 760 CB GLN A 51 -4.049 8.447 -8.095 1.00 0.00 C ATOM 761 CG GLN A 51 -3.112 9.244 -8.989 1.00 0.00 C ATOM 762 CD GLN A 51 -3.841 10.278 -9.824 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.758 11.477 -9.559 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.560 9.817 -10.841 1.00 0.00 N ATOM 0 H GLN A 51 -3.457 7.827 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.349 10.237 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.588 7.486 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.968 8.237 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.364 9.742 -8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.577 8.561 -9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.600 8.814 -11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.072 10.466 -11.439 1.00 0.00 H new ATOM 773 N ARG A 52 -6.771 8.999 -7.266 1.00 0.00 N ATOM 774 CA ARG A 52 -8.169 8.695 -6.984 1.00 0.00 C ATOM 775 C ARG A 52 -8.366 7.199 -6.759 1.00 0.00 C ATOM 776 O ARG A 52 -8.838 6.777 -5.703 1.00 0.00 O ATOM 777 CB ARG A 52 -9.058 9.171 -8.134 1.00 0.00 C ATOM 778 CG ARG A 52 -10.527 9.288 -7.760 1.00 0.00 C ATOM 779 CD ARG A 52 -10.776 10.477 -6.846 1.00 0.00 C ATOM 780 NE ARG A 52 -11.015 11.705 -7.598 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.201 12.045 -8.092 1.00 0.00 C ATOM 782 NH1 ARG A 52 -13.249 11.253 -7.914 1.00 0.00 N ATOM 783 NH2 ARG A 52 -12.340 13.180 -8.766 1.00 0.00 N ATOM 0 H ARG A 52 -6.601 9.371 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.453 9.221 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.702 10.141 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.959 8.478 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.127 9.391 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.852 8.373 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.635 10.270 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.917 10.615 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.229 12.336 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.146 10.380 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.158 11.517 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.536 13.792 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.251 13.440 -9.145 1.00 0.00 H new ATOM 797 N ARG A 53 -8.002 6.403 -7.759 1.00 0.00 N ATOM 798 CA ARG A 53 -8.140 4.954 -7.671 1.00 0.00 C ATOM 799 C ARG A 53 -6.793 4.266 -7.873 1.00 0.00 C ATOM 800 O ARG A 53 -6.714 3.201 -8.486 1.00 0.00 O ATOM 801 CB ARG A 53 -9.143 4.452 -8.712 1.00 0.00 C ATOM 802 CG ARG A 53 -9.889 3.199 -8.284 1.00 0.00 C ATOM 803 CD ARG A 53 -11.276 3.137 -8.905 1.00 0.00 C ATOM 804 NE ARG A 53 -12.070 2.038 -8.363 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.388 1.945 -8.502 1.00 0.00 C ATOM 806 NH1 ARG A 53 -14.056 2.881 -9.162 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.040 0.914 -7.980 1.00 0.00 N ATOM 0 H ARG A 53 -7.609 6.737 -8.639 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.507 4.709 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.865 5.242 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.616 4.250 -9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.319 2.317 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.974 3.178 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.794 4.080 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.185 3.020 -9.985 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.586 1.301 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.558 3.675 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.068 2.807 -9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.529 0.192 -7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.052 0.843 -8.087 1.00 0.00 H new ATOM 821 N HIS A 54 -5.736 4.883 -7.355 1.00 0.00 N ATOM 822 CA HIS A 54 -4.392 4.330 -7.478 1.00 0.00 C ATOM 823 C HIS A 54 -3.462 4.920 -6.423 1.00 0.00 C ATOM 824 O HIS A 54 -3.507 6.119 -6.142 1.00 0.00 O ATOM 825 CB HIS A 54 -3.833 4.600 -8.876 1.00 0.00 C ATOM 826 CG HIS A 54 -2.551 3.878 -9.157 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.336 4.520 -9.274 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.298 2.562 -9.345 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.392 3.630 -9.522 1.00 0.00 C ATOM 830 NE2 HIS A 54 -0.950 2.434 -9.570 1.00 0.00 N ATOM 0 H HIS A 54 -5.784 5.766 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.453 3.253 -7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.576 4.307 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.670 5.671 -8.993 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.022 1.761 -9.322 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.657 3.844 -9.662 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.459 1.557 -9.746 1.00 0.00 H new ATOM 839 N LEU A 55 -2.622 4.072 -5.840 1.00 0.00 N ATOM 840 CA LEU A 55 -1.682 4.510 -4.814 1.00 0.00 C ATOM 841 C LEU A 55 -0.322 3.844 -5.002 1.00 0.00 C ATOM 842 O LEU A 55 -0.239 2.654 -5.306 1.00 0.00 O ATOM 843 CB LEU A 55 -2.230 4.191 -3.422 1.00 0.00 C ATOM 844 CG LEU A 55 -1.210 4.192 -2.283 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.603 5.575 -2.110 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.858 3.726 -0.987 1.00 0.00 C ATOM 0 H LEU A 55 -2.573 3.077 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.555 5.588 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.010 4.915 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.705 3.211 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.410 3.497 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.120 5.555 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.103 5.871 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.391 6.292 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.118 3.733 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.678 4.396 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.243 2.715 -1.116 1.00 0.00 H new ATOM 858 N ARG A 56 0.741 4.620 -4.818 1.00 0.00 N ATOM 859 CA ARG A 56 2.097 4.106 -4.966 1.00 0.00 C ATOM 860 C ARG A 56 2.999 4.618 -3.846 1.00 0.00 C ATOM 861 O ARG A 56 3.017 5.812 -3.547 1.00 0.00 O ATOM 862 CB ARG A 56 2.673 4.510 -6.324 1.00 0.00 C ATOM 863 CG ARG A 56 4.050 3.927 -6.600 1.00 0.00 C ATOM 864 CD ARG A 56 4.843 4.802 -7.558 1.00 0.00 C ATOM 865 NE ARG A 56 6.183 4.273 -7.799 1.00 0.00 N ATOM 866 CZ ARG A 56 7.050 4.824 -8.642 1.00 0.00 C ATOM 867 NH1 ARG A 56 6.719 5.915 -9.320 1.00 0.00 N ATOM 868 NH2 ARG A 56 8.251 4.285 -8.808 1.00 0.00 N ATOM 0 H ARG A 56 0.689 5.607 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 56 2.054 3.018 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.988 4.190 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.731 5.597 -6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.597 3.823 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.945 2.927 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.308 4.880 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.919 5.810 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 56 6.469 3.435 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.797 6.333 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.386 6.336 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.510 3.446 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.915 4.709 -9.455 1.00 0.00 H new ATOM 882 N VAL A 57 3.746 3.707 -3.231 1.00 0.00 N ATOM 883 CA VAL A 57 4.650 4.066 -2.145 1.00 0.00 C ATOM 884 C VAL A 57 6.008 3.396 -2.317 1.00 0.00 C ATOM 885 O VAL A 57 6.119 2.346 -2.948 1.00 0.00 O ATOM 886 CB VAL A 57 4.065 3.673 -0.775 1.00 0.00 C ATOM 887 CG1 VAL A 57 5.120 3.805 0.313 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.846 4.523 -0.453 1.00 0.00 C ATOM 0 H VAL A 57 3.743 2.715 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 57 4.775 5.148 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 57 3.751 2.630 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.689 3.523 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.961 3.149 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.467 4.837 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.446 4.232 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.132 5.574 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.085 4.373 -1.219 1.00 0.00 H new ATOM 898 N GLY A 58 7.042 4.012 -1.749 1.00 0.00 N ATOM 899 CA GLY A 58 8.380 3.461 -1.851 1.00 0.00 C ATOM 900 C GLY A 58 9.455 4.526 -1.751 1.00 0.00 C ATOM 901 O GLY A 58 9.261 5.555 -1.102 1.00 0.00 O ATOM 0 H GLY A 58 6.976 4.882 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.528 2.725 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.481 2.935 -2.800 1.00 0.00 H new ATOM 905 N LEU A 59 10.591 4.279 -2.392 1.00 0.00 N ATOM 906 CA LEU A 59 11.702 5.224 -2.372 1.00 0.00 C ATOM 907 C LEU A 59 12.043 5.695 -3.782 1.00 0.00 C ATOM 908 O LEU A 59 11.680 5.052 -4.768 1.00 0.00 O ATOM 909 CB LEU A 59 12.931 4.582 -1.726 1.00 0.00 C ATOM 910 CG LEU A 59 12.782 4.173 -0.260 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.921 3.255 0.157 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.732 5.403 0.635 1.00 0.00 C ATOM 0 H LEU A 59 10.768 3.432 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 59 11.399 6.090 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.200 3.698 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.764 5.280 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 59 11.844 3.629 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.798 2.975 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.911 2.358 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.871 3.773 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.626 5.093 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.653 5.975 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.882 6.024 0.353 1.00 0.00 H new ATOM 924 N LYS A 60 12.743 6.821 -3.871 1.00 0.00 N ATOM 925 CA LYS A 60 13.136 7.378 -5.160 1.00 0.00 C ATOM 926 C LYS A 60 14.011 6.395 -5.933 1.00 0.00 C ATOM 927 O LYS A 60 14.975 5.852 -5.396 1.00 0.00 O ATOM 928 CB LYS A 60 13.886 8.697 -4.961 1.00 0.00 C ATOM 929 CG LYS A 60 12.989 9.921 -5.023 1.00 0.00 C ATOM 930 CD LYS A 60 12.613 10.265 -6.455 1.00 0.00 C ATOM 931 CE LYS A 60 13.622 11.214 -7.084 1.00 0.00 C ATOM 932 NZ LYS A 60 13.310 11.487 -8.514 1.00 0.00 N ATOM 0 H LYS A 60 13.050 7.366 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 60 12.231 7.565 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.392 8.676 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.659 8.784 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.085 9.740 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.498 10.770 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.554 9.351 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.623 10.721 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.633 12.152 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.621 10.786 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.020 12.137 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.324 10.595 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.367 11.919 -8.587 1.00 0.00 H new ATOM 946 N GLY A 61 13.667 6.173 -7.198 1.00 0.00 N ATOM 947 CA GLY A 61 14.433 5.258 -8.024 1.00 0.00 C ATOM 948 C GLY A 61 14.147 3.805 -7.698 1.00 0.00 C ATOM 949 O GLY A 61 13.768 3.029 -8.575 1.00 0.00 O ATOM 0 H GLY A 61 12.872 6.610 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.205 5.443 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.497 5.455 -7.889 1.00 0.00 H new ATOM 953 N GLN A 62 14.329 3.437 -6.434 1.00 0.00 N ATOM 954 CA GLN A 62 14.090 2.067 -5.996 1.00 0.00 C ATOM 955 C GLN A 62 12.660 1.638 -6.307 1.00 0.00 C ATOM 956 O GLN A 62 11.778 2.461 -6.552 1.00 0.00 O ATOM 957 CB GLN A 62 14.360 1.935 -4.496 1.00 0.00 C ATOM 958 CG GLN A 62 15.790 1.536 -4.169 1.00 0.00 C ATOM 959 CD GLN A 62 16.720 2.729 -4.065 1.00 0.00 C ATOM 960 OE1 GLN A 62 16.489 3.766 -4.687 1.00 0.00 O ATOM 961 NE2 GLN A 62 17.778 2.588 -3.275 1.00 0.00 N ATOM 0 H GLN A 62 14.641 4.068 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 62 14.772 1.414 -6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.136 2.885 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.680 1.194 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.804 0.987 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.159 0.858 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.930 1.710 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.438 3.357 -3.165 1.00 0.00 H new ATOM 970 N PRO A 63 12.423 0.318 -6.298 1.00 0.00 N ATOM 971 CA PRO A 63 11.101 -0.251 -6.577 1.00 0.00 C ATOM 972 C PRO A 63 10.100 0.036 -5.463 1.00 0.00 C ATOM 973 O PRO A 63 10.384 -0.144 -4.278 1.00 0.00 O ATOM 974 CB PRO A 63 11.375 -1.754 -6.676 1.00 0.00 C ATOM 975 CG PRO A 63 12.603 -1.970 -5.860 1.00 0.00 C ATOM 976 CD PRO A 63 13.427 -0.721 -6.014 1.00 0.00 C ATOM 0 HA PRO A 63 10.655 0.175 -7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.537 -2.335 -6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.528 -2.061 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.351 -2.145 -4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.153 -2.845 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.991 -0.498 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.150 -0.814 -6.825 1.00 0.00 H new ATOM 984 N PRO A 64 8.899 0.492 -5.848 1.00 0.00 N ATOM 985 CA PRO A 64 7.831 0.812 -4.896 1.00 0.00 C ATOM 986 C PRO A 64 7.253 -0.433 -4.233 1.00 0.00 C ATOM 987 O PRO A 64 6.864 -1.385 -4.909 1.00 0.00 O ATOM 988 CB PRO A 64 6.772 1.494 -5.767 1.00 0.00 C ATOM 989 CG PRO A 64 7.009 0.960 -7.138 1.00 0.00 C ATOM 990 CD PRO A 64 8.491 0.730 -7.243 1.00 0.00 C ATOM 0 HA PRO A 64 8.190 1.431 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.765 1.262 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.876 2.579 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.458 0.033 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.669 1.666 -7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.721 -0.124 -7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.002 1.593 -7.670 1.00 0.00 H new ATOM 998 N VAL A 65 7.201 -0.420 -2.905 1.00 0.00 N ATOM 999 CA VAL A 65 6.669 -1.548 -2.149 1.00 0.00 C ATOM 1000 C VAL A 65 5.192 -1.767 -2.456 1.00 0.00 C ATOM 1001 O VAL A 65 4.729 -2.904 -2.556 1.00 0.00 O ATOM 1002 CB VAL A 65 6.843 -1.340 -0.633 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.413 -2.584 0.129 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.283 -0.976 -0.307 1.00 0.00 C ATOM 0 H VAL A 65 7.521 0.359 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 65 7.235 -2.429 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 65 6.204 -0.513 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.543 -2.419 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.364 -2.795 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.023 -3.431 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.388 -0.833 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.944 -1.780 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.551 -0.054 -0.824 1.00 0.00 H new ATOM 1014 N VAL A 66 4.455 -0.671 -2.603 1.00 0.00 N ATOM 1015 CA VAL A 66 3.029 -0.742 -2.900 1.00 0.00 C ATOM 1016 C VAL A 66 2.720 -0.129 -4.261 1.00 0.00 C ATOM 1017 O VAL A 66 2.920 1.067 -4.475 1.00 0.00 O ATOM 1018 CB VAL A 66 2.195 -0.022 -1.824 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.744 0.096 -2.263 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.300 -0.752 -0.493 1.00 0.00 C ATOM 0 H VAL A 66 4.822 0.277 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 66 2.760 -1.798 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 66 2.593 0.984 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.170 0.607 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.690 0.665 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.330 -0.900 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.705 -0.230 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.929 -1.770 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.342 -0.779 -0.174 1.00 0.00 H new ATOM 1030 N ASP A 67 2.230 -0.956 -5.178 1.00 0.00 N ATOM 1031 CA ASP A 67 1.891 -0.495 -6.520 1.00 0.00 C ATOM 1032 C ASP A 67 0.763 -1.334 -7.113 1.00 0.00 C ATOM 1033 O ASP A 67 0.960 -2.495 -7.469 1.00 0.00 O ATOM 1034 CB ASP A 67 3.120 -0.554 -7.428 1.00 0.00 C ATOM 1035 CG ASP A 67 3.596 -1.973 -7.667 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.076 -2.625 -8.596 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.489 -2.432 -6.924 1.00 0.00 O ATOM 0 H ASP A 67 2.059 -1.949 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 67 1.552 0.538 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.884 -0.087 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.927 0.026 -6.980 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.421 -0.737 -7.217 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.562 -1.444 -7.766 1.00 0.00 C ATOM 1044 C GLY A 68 -2.846 -0.645 -7.660 1.00 0.00 C ATOM 1045 O GLY A 68 -3.041 0.102 -6.702 1.00 0.00 O ATOM 0 H GLY A 68 -0.609 0.224 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.370 -1.680 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.684 -2.392 -7.243 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.722 -0.801 -8.647 1.00 0.00 N ATOM 1050 CA GLU A 69 -4.992 -0.084 -8.661 1.00 0.00 C ATOM 1051 C GLU A 69 -5.755 -0.305 -7.358 1.00 0.00 C ATOM 1052 O GLU A 69 -5.873 -1.433 -6.878 1.00 0.00 O ATOM 1053 CB GLU A 69 -5.846 -0.537 -9.848 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.233 0.083 -9.871 1.00 0.00 C ATOM 1055 CD GLU A 69 -7.950 -0.142 -11.188 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.689 -1.176 -11.837 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.772 0.717 -11.569 1.00 0.00 O ATOM 0 H GLU A 69 -3.576 -1.417 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.778 0.980 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.329 -0.285 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.943 -1.622 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.829 -0.338 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.152 1.154 -9.684 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.271 0.780 -6.790 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.022 0.707 -5.542 1.00 0.00 C ATOM 1066 C LEU A 70 -8.383 0.054 -5.763 1.00 0.00 C ATOM 1067 O LEU A 70 -9.029 0.274 -6.788 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.205 2.106 -4.951 1.00 0.00 C ATOM 1069 CG LEU A 70 -5.964 2.734 -4.316 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.145 4.236 -4.161 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.669 2.088 -2.970 1.00 0.00 C ATOM 0 H LEU A 70 -6.183 1.721 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.455 0.095 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.559 2.769 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.991 2.060 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.114 2.558 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.252 4.665 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.307 4.686 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.007 4.435 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.783 2.547 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.519 2.232 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.494 1.021 -3.109 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.813 -0.747 -4.795 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.097 -1.432 -4.884 1.00 0.00 C ATOM 1085 C TYR A 71 -11.208 -0.460 -5.269 1.00 0.00 C ATOM 1086 O TYR A 71 -11.916 -0.667 -6.253 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.433 -2.106 -3.553 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.869 -2.569 -3.453 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.303 -3.702 -4.128 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.791 -1.872 -2.682 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.614 -4.128 -4.040 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.104 -2.290 -2.587 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.511 -3.419 -3.269 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.818 -3.840 -3.177 1.00 0.00 O ATOM 0 H TYR A 71 -8.291 -0.938 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.020 -2.193 -5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.774 -2.962 -3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.228 -1.409 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.603 -4.260 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.476 -0.988 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.935 -5.011 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.808 -1.737 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.318 -3.231 -2.594 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.353 0.603 -4.484 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.377 1.609 -4.741 1.00 0.00 C ATOM 1106 C ASN A 72 -11.770 3.008 -4.769 1.00 0.00 C ATOM 1107 O ASN A 72 -10.584 3.186 -4.494 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.471 1.537 -3.674 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.764 2.187 -4.127 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.338 1.807 -5.148 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.229 3.172 -3.368 1.00 0.00 N ATOM 0 H ASN A 72 -10.774 0.790 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.816 1.403 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.661 0.494 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.121 2.026 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.095 3.647 -3.623 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.720 3.454 -2.530 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.593 3.997 -5.104 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.136 5.381 -5.168 1.00 0.00 C ATOM 1120 C GLU A 73 -11.869 5.931 -3.770 1.00 0.00 C ATOM 1121 O GLU A 73 -12.483 5.501 -2.794 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.173 6.251 -5.881 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.102 6.164 -7.397 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.612 7.420 -8.077 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.239 8.253 -7.391 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.384 7.569 -9.296 1.00 0.00 O ATOM 0 H GLU A 73 -13.578 3.866 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.204 5.403 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.170 5.954 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.034 7.289 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.070 5.985 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.686 5.309 -7.736 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.947 6.885 -3.682 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.598 7.496 -2.405 1.00 0.00 C ATOM 1135 C VAL A 74 -10.299 8.981 -2.570 1.00 0.00 C ATOM 1136 O VAL A 74 -9.479 9.373 -3.401 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.378 6.805 -1.767 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.661 5.328 -1.537 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.146 6.990 -2.639 1.00 0.00 C ATOM 0 H VAL A 74 -10.428 7.251 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.460 7.373 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.184 7.268 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.788 4.856 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.517 5.221 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.881 4.847 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.293 6.496 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.327 6.554 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.934 8.054 -2.748 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.967 9.806 -1.771 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.772 11.250 -1.826 1.00 0.00 C ATOM 1151 C LYS A 75 -9.288 11.599 -1.845 1.00 0.00 C ATOM 1152 O LYS A 75 -8.670 11.786 -0.797 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.449 11.922 -0.629 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.970 13.317 -0.929 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.169 13.663 -0.062 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.609 15.104 -0.270 1.00 0.00 C ATOM 1157 NZ LYS A 75 -12.908 16.037 0.655 1.00 0.00 N ATOM 0 H LYS A 75 -11.649 9.499 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.225 11.618 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.278 11.298 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.738 11.978 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.177 14.046 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.249 13.384 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.995 12.992 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.918 13.506 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.412 15.399 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.685 15.181 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.373 16.967 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.945 15.659 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.916 16.137 0.361 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.720 11.685 -3.044 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.308 12.013 -3.199 1.00 0.00 C ATOM 1173 C VAL A 76 -7.016 13.427 -2.709 1.00 0.00 C ATOM 1174 O VAL A 76 -5.966 13.685 -2.120 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.861 11.888 -4.668 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.672 12.821 -5.555 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.373 12.175 -4.798 1.00 0.00 C ATOM 0 H VAL A 76 -9.216 11.532 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.748 11.299 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.041 10.865 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.342 12.719 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.729 12.563 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.527 13.851 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.074 12.082 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.166 13.187 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.811 11.462 -4.195 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.951 14.339 -2.957 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.792 15.727 -2.541 1.00 0.00 C ATOM 1189 C GLU A 77 -7.586 15.823 -1.032 1.00 0.00 C ATOM 1190 O GLU A 77 -7.044 16.807 -0.531 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.016 16.549 -2.952 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.232 16.608 -4.455 1.00 0.00 C ATOM 1193 CD GLU A 77 -8.444 17.724 -5.114 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -8.780 18.904 -4.883 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -7.492 17.416 -5.861 1.00 0.00 O ATOM 0 H GLU A 77 -8.826 14.142 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.909 16.129 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.903 16.124 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.907 17.564 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.944 15.654 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.293 16.747 -4.661 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.023 14.792 -0.314 1.00 0.00 N ATOM 1203 CA GLU A 78 -7.887 14.761 1.137 1.00 0.00 C ATOM 1204 C GLU A 78 -6.820 13.756 1.562 1.00 0.00 C ATOM 1205 O GLU A 78 -6.137 13.948 2.568 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.225 14.407 1.789 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.096 15.616 2.086 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.667 16.350 3.342 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.817 15.779 4.443 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.182 17.494 3.225 1.00 0.00 O ATOM 0 H GLU A 78 -8.473 13.969 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.580 15.753 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.771 13.729 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.036 13.869 2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.061 16.301 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.132 15.295 2.193 1.00 0.00 H new ATOM 1217 N SER A 79 -6.684 12.684 0.789 1.00 0.00 N ATOM 1218 CA SER A 79 -5.704 11.646 1.087 1.00 0.00 C ATOM 1219 C SER A 79 -4.344 12.259 1.408 1.00 0.00 C ATOM 1220 O SER A 79 -4.003 13.333 0.913 1.00 0.00 O ATOM 1221 CB SER A 79 -5.575 10.682 -0.094 1.00 0.00 C ATOM 1222 OG SER A 79 -6.680 9.797 -0.153 1.00 0.00 O ATOM 0 H SER A 79 -7.240 12.511 -0.049 1.00 0.00 H new ATOM 0 HA SER A 79 -6.050 11.094 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.508 11.248 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.652 10.110 -0.002 1.00 0.00 H new ATOM 0 HG SER A 79 -7.492 10.302 -0.368 1.00 0.00 H new ATOM 1228 N SER A 80 -3.572 11.568 2.240 1.00 0.00 N ATOM 1229 CA SER A 80 -2.251 12.045 2.632 1.00 0.00 C ATOM 1230 C SER A 80 -1.446 10.931 3.295 1.00 0.00 C ATOM 1231 O SER A 80 -1.963 9.843 3.549 1.00 0.00 O ATOM 1232 CB SER A 80 -2.377 13.236 3.584 1.00 0.00 C ATOM 1233 OG SER A 80 -2.627 14.434 2.871 1.00 0.00 O ATOM 0 H SER A 80 -3.839 10.676 2.656 1.00 0.00 H new ATOM 0 HA SER A 80 -1.725 12.363 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.185 13.055 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.461 13.339 4.165 1.00 0.00 H new ATOM 0 HG SER A 80 -2.902 14.218 1.955 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.178 11.212 3.574 1.00 0.00 N ATOM 1240 CA TRP A 81 0.700 10.235 4.208 1.00 0.00 C ATOM 1241 C TRP A 81 1.706 10.921 5.125 1.00 0.00 C ATOM 1242 O TRP A 81 1.830 12.147 5.120 1.00 0.00 O ATOM 1243 CB TRP A 81 1.435 9.415 3.146 1.00 0.00 C ATOM 1244 CG TRP A 81 2.275 10.249 2.228 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.840 10.991 1.167 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.695 10.425 2.287 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.904 11.617 0.563 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.053 11.287 1.232 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.698 9.939 3.130 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.371 11.671 1.000 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 6.006 10.321 2.898 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.333 11.180 1.841 1.00 0.00 C ATOM 0 H TRP A 81 0.265 12.108 3.371 1.00 0.00 H new ATOM 0 HA TRP A 81 0.084 9.567 4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 81 2.070 8.680 3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.705 8.861 2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.811 11.074 0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.847 12.228 -0.252 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.456 9.277 3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.625 12.333 0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.789 9.951 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.364 11.460 1.687 1.00 0.00 H new ATOM 1263 N LEU A 82 2.423 10.125 5.910 1.00 0.00 N ATOM 1264 CA LEU A 82 3.420 10.657 6.833 1.00 0.00 C ATOM 1265 C LEU A 82 4.386 9.564 7.280 1.00 0.00 C ATOM 1266 O LEU A 82 3.982 8.427 7.524 1.00 0.00 O ATOM 1267 CB LEU A 82 2.735 11.278 8.052 1.00 0.00 C ATOM 1268 CG LEU A 82 2.290 10.302 9.142 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.415 10.064 10.137 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.050 10.825 9.852 1.00 0.00 C ATOM 0 H LEU A 82 2.333 9.109 5.926 1.00 0.00 H new ATOM 0 HA LEU A 82 3.988 11.427 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.417 12.002 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.861 11.832 7.710 1.00 0.00 H new ATOM 0 HG LEU A 82 2.041 9.351 8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.080 9.367 10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.277 9.645 9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.695 11.009 10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.747 10.118 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.272 11.789 10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.241 10.943 9.131 1.00 0.00 H new ATOM 1282 N ILE A 83 5.662 9.918 7.388 1.00 0.00 N ATOM 1283 CA ILE A 83 6.684 8.968 7.809 1.00 0.00 C ATOM 1284 C ILE A 83 6.666 8.776 9.322 1.00 0.00 C ATOM 1285 O ILE A 83 6.801 9.735 10.080 1.00 0.00 O ATOM 1286 CB ILE A 83 8.090 9.426 7.377 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.170 9.533 5.853 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.145 8.463 7.902 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.326 10.379 5.367 1.00 0.00 C ATOM 0 H ILE A 83 6.013 10.855 7.190 1.00 0.00 H new ATOM 0 HA ILE A 83 6.454 8.020 7.322 1.00 0.00 H new ATOM 0 HB ILE A 83 8.281 10.411 7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.260 8.532 5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.238 9.955 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.133 8.800 7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.100 8.433 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.958 7.466 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.321 10.411 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.227 11.391 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.265 9.946 5.713 1.00 0.00 H new ATOM 1301 N GLU A 84 6.501 7.529 9.752 1.00 0.00 N ATOM 1302 CA GLU A 84 6.466 7.212 11.175 1.00 0.00 C ATOM 1303 C GLU A 84 7.819 6.688 11.648 1.00 0.00 C ATOM 1304 O GLU A 84 8.511 5.976 10.920 1.00 0.00 O ATOM 1305 CB GLU A 84 5.377 6.176 11.463 1.00 0.00 C ATOM 1306 CG GLU A 84 4.025 6.789 11.787 1.00 0.00 C ATOM 1307 CD GLU A 84 3.978 7.399 13.174 1.00 0.00 C ATOM 1308 OE1 GLU A 84 5.016 7.926 13.626 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.904 7.349 13.809 1.00 0.00 O ATOM 0 H GLU A 84 6.390 6.723 9.137 1.00 0.00 H new ATOM 0 HA GLU A 84 6.239 8.128 11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.272 5.521 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.693 5.551 12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.792 7.556 11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.254 6.023 11.705 1.00 0.00 H new ATOM 1316 N ASP A 85 8.190 7.047 12.873 1.00 0.00 N ATOM 1317 CA ASP A 85 9.460 6.614 13.444 1.00 0.00 C ATOM 1318 C ASP A 85 10.575 6.683 12.406 1.00 0.00 C ATOM 1319 O ASP A 85 11.573 5.970 12.504 1.00 0.00 O ATOM 1320 CB ASP A 85 9.339 5.189 13.987 1.00 0.00 C ATOM 1321 CG ASP A 85 8.793 5.153 15.401 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.230 5.981 16.228 1.00 0.00 O ATOM 1323 OD2 ASP A 85 7.928 4.296 15.681 1.00 0.00 O ATOM 0 H ASP A 85 7.630 7.636 13.489 1.00 0.00 H new ATOM 0 HA ASP A 85 9.710 7.288 14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.687 4.609 13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.318 4.711 13.966 1.00 0.00 H new ATOM 1328 N GLY A 86 10.398 7.546 11.411 1.00 0.00 N ATOM 1329 CA GLY A 86 11.397 7.692 10.368 1.00 0.00 C ATOM 1330 C GLY A 86 11.841 6.358 9.800 1.00 0.00 C ATOM 1331 O GLY A 86 12.883 6.267 9.151 1.00 0.00 O ATOM 0 H GLY A 86 9.580 8.147 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.992 8.309 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.263 8.219 10.769 1.00 0.00 H new ATOM 1335 N LYS A 87 11.049 5.319 10.046 1.00 0.00 N ATOM 1336 CA LYS A 87 11.365 3.983 9.555 1.00 0.00 C ATOM 1337 C LYS A 87 10.177 3.381 8.812 1.00 0.00 C ATOM 1338 O LYS A 87 10.329 2.431 8.045 1.00 0.00 O ATOM 1339 CB LYS A 87 11.767 3.073 10.718 1.00 0.00 C ATOM 1340 CG LYS A 87 10.607 2.287 11.304 1.00 0.00 C ATOM 1341 CD LYS A 87 10.530 0.887 10.719 1.00 0.00 C ATOM 1342 CE LYS A 87 11.681 0.017 11.199 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.333 -0.728 12.440 1.00 0.00 N ATOM 0 H LYS A 87 10.184 5.377 10.583 1.00 0.00 H new ATOM 0 HA LYS A 87 12.201 4.066 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.531 2.376 10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.218 3.679 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.719 2.224 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.673 2.815 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.583 0.426 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.546 0.945 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.953 -0.690 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.556 0.641 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.143 -1.309 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.098 -0.053 13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.514 -1.343 12.258 1.00 0.00 H new ATOM 1357 N VAL A 88 8.994 3.943 9.042 1.00 0.00 N ATOM 1358 CA VAL A 88 7.781 3.463 8.392 1.00 0.00 C ATOM 1359 C VAL A 88 7.106 4.576 7.599 1.00 0.00 C ATOM 1360 O VAL A 88 7.315 5.759 7.867 1.00 0.00 O ATOM 1361 CB VAL A 88 6.780 2.899 9.418 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.443 2.606 8.754 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.342 1.649 10.078 1.00 0.00 C ATOM 0 H VAL A 88 8.851 4.731 9.674 1.00 0.00 H new ATOM 0 HA VAL A 88 8.080 2.666 7.712 1.00 0.00 H new ATOM 0 HB VAL A 88 6.617 3.649 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.749 2.208 9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.037 3.526 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.584 1.874 7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.622 1.264 10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.535 0.892 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.273 1.895 10.590 1.00 0.00 H new ATOM 1373 N VAL A 89 6.294 4.189 6.620 1.00 0.00 N ATOM 1374 CA VAL A 89 5.585 5.154 5.788 1.00 0.00 C ATOM 1375 C VAL A 89 4.088 4.870 5.769 1.00 0.00 C ATOM 1376 O VAL A 89 3.618 4.006 5.028 1.00 0.00 O ATOM 1377 CB VAL A 89 6.117 5.145 4.342 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.215 5.969 3.436 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.547 5.663 4.297 1.00 0.00 C ATOM 0 H VAL A 89 6.111 3.214 6.384 1.00 0.00 H new ATOM 0 HA VAL A 89 5.759 6.137 6.226 1.00 0.00 H new ATOM 0 HB VAL A 89 6.115 4.117 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.607 5.951 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.209 5.549 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.182 6.998 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.907 5.650 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.576 6.684 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.184 5.027 4.912 1.00 0.00 H new ATOM 1389 N THR A 90 3.341 5.602 6.589 1.00 0.00 N ATOM 1390 CA THR A 90 1.896 5.429 6.668 1.00 0.00 C ATOM 1391 C THR A 90 1.178 6.347 5.686 1.00 0.00 C ATOM 1392 O THR A 90 1.579 7.494 5.486 1.00 0.00 O ATOM 1393 CB THR A 90 1.374 5.707 8.090 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.737 7.031 8.495 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.934 4.697 9.080 1.00 0.00 C ATOM 0 H THR A 90 3.714 6.321 7.209 1.00 0.00 H new ATOM 0 HA THR A 90 1.687 4.391 6.409 1.00 0.00 H new ATOM 0 HB THR A 90 0.288 5.616 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.452 7.366 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.551 4.914 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.631 3.692 8.786 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.022 4.760 9.088 1.00 0.00 H new ATOM 1403 N VAL A 91 0.113 5.836 5.076 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.663 6.612 4.115 1.00 0.00 C ATOM 1405 C VAL A 91 -2.157 6.489 4.390 1.00 0.00 C ATOM 1406 O VAL A 91 -2.716 5.392 4.367 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.379 6.161 2.670 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.052 7.097 1.677 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.120 6.093 2.419 1.00 0.00 C ATOM 0 H VAL A 91 -0.232 4.889 5.230 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.360 7.653 4.229 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.794 5.163 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.840 6.763 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.129 7.091 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.669 8.108 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.303 5.773 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.560 7.078 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.572 5.380 3.108 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.801 7.623 4.649 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.232 7.643 4.927 1.00 0.00 C ATOM 1421 C HIS A 92 -5.034 7.787 3.637 1.00 0.00 C ATOM 1422 O HIS A 92 -4.744 8.649 2.806 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.572 8.788 5.882 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.967 9.309 5.721 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.982 9.031 6.612 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.512 10.097 4.765 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.092 9.624 6.210 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.834 10.278 5.092 1.00 0.00 N ATOM 0 H HIS A 92 -2.354 8.540 4.672 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.499 6.696 5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.437 8.446 6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.868 9.604 5.723 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.890 8.457 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.003 10.507 3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.048 9.581 6.711 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.043 6.938 3.475 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.887 6.970 2.286 1.00 0.00 C ATOM 1439 C LEU A 93 -8.342 7.239 2.657 1.00 0.00 C ATOM 1440 O LEU A 93 -8.973 6.442 3.350 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.780 5.647 1.525 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.424 5.351 0.881 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.302 3.871 0.552 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.232 6.196 -0.370 1.00 0.00 C ATOM 0 H LEU A 93 -6.296 6.219 4.152 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.539 7.781 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.018 4.835 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.541 5.637 0.744 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.640 5.610 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.331 3.679 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.394 3.286 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.093 3.586 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.262 5.972 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.021 5.969 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.275 7.253 -0.106 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.867 8.367 2.189 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.248 8.740 2.472 1.00 0.00 C ATOM 1458 C GLU A 94 -11.205 8.065 1.493 1.00 0.00 C ATOM 1459 O GLU A 94 -11.130 8.282 0.283 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.415 10.259 2.399 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.855 10.722 2.548 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.380 10.549 3.959 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.332 9.412 4.475 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.841 11.549 4.548 1.00 0.00 O ATOM 0 H GLU A 94 -8.358 9.037 1.613 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.489 8.403 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.811 10.720 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.025 10.613 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.926 11.772 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.486 10.162 1.858 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.105 7.245 2.025 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.078 6.538 1.201 1.00 0.00 C ATOM 1473 C LYS A 95 -14.183 7.481 0.734 1.00 0.00 C ATOM 1474 O LYS A 95 -14.896 8.068 1.549 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.686 5.370 1.981 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.762 4.170 2.095 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.475 2.973 2.703 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.489 1.976 3.291 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.171 0.752 3.795 1.00 0.00 N ATOM 0 H LYS A 95 -12.181 7.054 3.024 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.560 6.150 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.951 5.711 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.611 5.061 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.383 3.906 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.899 4.431 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.159 3.312 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.079 2.482 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.758 1.698 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.939 2.447 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.679 0.405 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.157 0.978 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.153 0.017 3.059 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.321 7.619 -0.580 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.341 8.488 -1.154 1.00 0.00 C ATOM 1495 C ILE A 96 -16.681 8.301 -0.451 1.00 0.00 C ATOM 1496 O ILE A 96 -17.404 9.265 -0.203 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.523 8.224 -2.660 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.250 8.596 -3.422 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.714 9.006 -3.194 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.946 10.078 -3.406 1.00 0.00 C ATOM 0 H ILE A 96 -13.739 7.140 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.999 9.513 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.715 7.161 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.407 8.056 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.345 8.264 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.830 8.809 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.617 8.698 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.549 10.072 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.030 10.268 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.771 10.624 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.818 10.412 -2.376 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.006 7.052 -0.130 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.260 6.738 0.546 1.00 0.00 C ATOM 1514 C ASN A 97 -17.998 6.099 1.907 1.00 0.00 C ATOM 1515 O ASN A 97 -17.464 4.993 1.994 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.107 5.800 -0.316 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.954 6.550 -1.326 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.909 7.236 -0.964 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.606 6.421 -2.601 1.00 0.00 N ATOM 0 H ASN A 97 -16.419 6.242 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.805 7.669 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.453 5.103 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.755 5.206 0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.139 6.902 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.806 5.841 -2.855 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.379 6.803 2.967 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.188 6.306 4.325 1.00 0.00 C ATOM 1528 C LYS A 98 -19.093 5.109 4.598 1.00 0.00 C ATOM 1529 O LYS A 98 -18.959 4.439 5.621 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.472 7.415 5.340 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.732 8.710 5.049 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.303 8.664 5.563 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.581 9.980 5.321 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.546 10.244 6.358 1.00 0.00 N ATOM 0 H LYS A 98 -18.822 7.720 2.912 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.151 5.986 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.543 7.615 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.197 7.065 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.727 8.894 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.260 9.544 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.306 8.440 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.764 7.856 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.113 9.962 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.305 10.795 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.808 10.860 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.986 10.712 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.121 9.345 6.661 1.00 0.00 H new ATOM 1548 N MET A 99 -20.013 4.846 3.675 1.00 0.00 N ATOM 1549 CA MET A 99 -20.937 3.727 3.816 1.00 0.00 C ATOM 1550 C MET A 99 -20.559 2.586 2.876 1.00 0.00 C ATOM 1551 O MET A 99 -21.427 1.904 2.333 1.00 0.00 O ATOM 1552 CB MET A 99 -22.370 4.183 3.532 1.00 0.00 C ATOM 1553 CG MET A 99 -23.051 4.829 4.728 1.00 0.00 C ATOM 1554 SD MET A 99 -23.307 3.674 6.089 1.00 0.00 S ATOM 1555 CE MET A 99 -22.672 4.627 7.466 1.00 0.00 C ATOM 0 H MET A 99 -20.138 5.392 2.823 1.00 0.00 H new ATOM 0 HA MET A 99 -20.874 3.364 4.842 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.360 4.892 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.959 3.324 3.209 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.447 5.667 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 99 -24.013 5.237 4.417 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.762 4.045 8.383 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.623 4.867 7.290 1.00 0.00 H new ATOM 0 HE3 MET A 99 -23.244 5.550 7.564 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.258 2.387 2.690 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.766 1.329 1.815 1.00 0.00 C ATOM 1567 C GLU A 100 -17.585 0.601 2.451 1.00 0.00 C ATOM 1568 O GLU A 100 -16.788 1.202 3.172 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.352 1.909 0.461 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.840 0.865 -0.518 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.945 0.275 -1.373 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -20.046 0.032 -0.834 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.710 0.057 -2.579 1.00 0.00 O ATOM 0 H GLU A 100 -18.527 2.943 3.133 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.573 0.612 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.206 2.422 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.576 2.659 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.088 1.317 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.347 0.065 0.035 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.481 -0.694 2.180 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.398 -1.505 2.726 1.00 0.00 C ATOM 1582 C TRP A 101 -15.364 -1.826 1.653 1.00 0.00 C ATOM 1583 O TRP A 101 -15.595 -1.594 0.466 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.953 -2.800 3.320 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.395 -2.659 4.746 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.680 -2.641 5.208 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.551 -2.512 5.893 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.686 -2.493 6.574 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.393 -2.413 7.019 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -15.168 -2.458 6.081 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.894 -2.260 8.310 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.674 -2.307 7.362 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.536 -2.210 8.464 1.00 0.00 C ATOM 0 H TRP A 101 -18.133 -1.206 1.586 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.910 -0.932 3.514 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.797 -3.135 2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.190 -3.576 3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.562 -2.730 4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.519 -2.450 7.162 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.496 -2.533 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.556 -2.184 9.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.606 -2.263 7.518 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -15.119 -2.094 9.454 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.224 -2.359 2.077 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.154 -2.712 1.151 1.00 0.00 C ATOM 1606 C TRP A 102 -12.796 -4.189 1.270 1.00 0.00 C ATOM 1607 O TRP A 102 -12.869 -4.769 2.352 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.917 -1.852 1.416 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.979 -0.505 0.762 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.023 0.375 0.794 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.954 0.114 -0.024 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.709 1.504 0.076 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.445 1.368 -0.436 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.670 -0.269 -0.419 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.696 2.239 -1.222 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.927 0.596 -1.199 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.441 1.838 -1.594 1.00 0.00 C ATOM 0 H TRP A 102 -14.017 -2.556 3.056 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.508 -2.524 0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.798 -1.721 2.492 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.033 -2.381 1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.958 0.208 1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.318 2.312 -0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.265 -1.225 -0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.091 3.197 -1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.933 0.310 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.835 2.492 -2.204 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.409 -4.792 0.150 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.040 -6.203 0.130 1.00 0.00 C ATOM 1630 C ASN A 103 -10.523 -6.368 0.148 1.00 0.00 C ATOM 1631 O ASN A 103 -10.010 -7.448 0.444 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.624 -6.886 -1.108 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.507 -8.397 -1.044 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.418 -8.939 -0.849 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -13.631 -9.085 -1.208 1.00 0.00 N ATOM 0 H ASN A 103 -12.343 -4.326 -0.755 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.450 -6.674 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.673 -6.610 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.110 -6.522 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.614 -10.104 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -14.511 -8.594 -1.367 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.812 -5.292 -0.169 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.354 -5.318 -0.190 1.00 0.00 C ATOM 1644 C ARG A 104 -7.790 -3.926 -0.458 1.00 0.00 C ATOM 1645 O ARG A 104 -8.466 -3.068 -1.026 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.855 -6.296 -1.255 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.384 -5.999 -2.649 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.978 -7.079 -3.640 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.327 -6.722 -5.012 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.050 -7.485 -6.064 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.424 -8.643 -5.900 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -8.399 -7.092 -7.282 1.00 0.00 N ATOM 0 H ARG A 104 -10.221 -4.391 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.007 -5.650 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.765 -6.272 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.146 -7.308 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.471 -5.922 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.005 -5.034 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.903 -7.248 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.466 -8.017 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.810 -5.838 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.154 -8.949 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.212 -9.227 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.881 -6.203 -7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.185 -7.679 -8.088 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.546 -3.708 -0.044 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.889 -2.420 -0.238 1.00 0.00 C ATOM 1668 C LEU A 105 -5.746 -2.100 -1.723 1.00 0.00 C ATOM 1669 O LEU A 105 -6.173 -1.042 -2.185 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.514 -2.420 0.430 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.696 -1.137 0.283 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.361 0.009 1.030 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.275 -1.349 0.786 1.00 0.00 C ATOM 0 H LEU A 105 -5.972 -4.407 0.428 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.509 -1.651 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.649 -2.621 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.933 -3.246 0.020 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.651 -0.878 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.764 0.914 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.359 0.178 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.437 -0.242 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.708 -0.425 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.300 -1.634 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.798 -2.140 0.207 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.144 -3.023 -2.466 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.947 -2.842 -3.900 1.00 0.00 C ATOM 1687 C VAL A 106 -5.344 -4.095 -4.672 1.00 0.00 C ATOM 1688 O VAL A 106 -5.752 -5.097 -4.084 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.483 -2.493 -4.225 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.147 -1.091 -3.739 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.542 -3.519 -3.612 1.00 0.00 C ATOM 0 H VAL A 106 -4.784 -3.904 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.586 -2.014 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.354 -2.517 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.108 -0.862 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.800 -0.369 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.292 -1.035 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.512 -3.257 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.671 -3.530 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.768 -4.506 -4.015 1.00 0.00 H new ATOM 1701 N THR A 107 -5.220 -4.033 -5.994 1.00 0.00 N ATOM 1702 CA THR A 107 -5.566 -5.162 -6.848 1.00 0.00 C ATOM 1703 C THR A 107 -4.409 -6.150 -6.948 1.00 0.00 C ATOM 1704 O THR A 107 -4.263 -6.850 -7.950 1.00 0.00 O ATOM 1705 CB THR A 107 -5.953 -4.697 -8.265 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.973 -3.781 -8.765 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.321 -4.033 -8.261 1.00 0.00 C ATOM 0 H THR A 107 -4.882 -3.212 -6.497 1.00 0.00 H new ATOM 0 HA THR A 107 -6.423 -5.655 -6.389 1.00 0.00 H new ATOM 0 HB THR A 107 -5.994 -5.573 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.034 -3.738 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.573 -3.713 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.069 -4.743 -7.908 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.303 -3.166 -7.600 1.00 0.00 H new ATOM 1715 N SER A 108 -3.589 -6.201 -5.904 1.00 0.00 N ATOM 1716 CA SER A 108 -2.442 -7.102 -5.876 1.00 0.00 C ATOM 1717 C SER A 108 -2.511 -8.032 -4.669 1.00 0.00 C ATOM 1718 O SER A 108 -2.291 -9.238 -4.786 1.00 0.00 O ATOM 1719 CB SER A 108 -1.139 -6.302 -5.843 1.00 0.00 C ATOM 1720 OG SER A 108 -0.012 -7.159 -5.897 1.00 0.00 O ATOM 0 H SER A 108 -3.697 -5.629 -5.066 1.00 0.00 H new ATOM 0 HA SER A 108 -2.465 -7.708 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.113 -5.609 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.100 -5.702 -4.934 1.00 0.00 H new ATOM 0 HG SER A 108 0.808 -6.623 -5.876 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.819 -7.463 -3.508 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.918 -8.240 -2.278 1.00 0.00 C ATOM 1728 C ASP A 109 -4.121 -9.178 -2.324 1.00 0.00 C ATOM 1729 O ASP A 109 -5.041 -9.008 -3.123 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.027 -7.310 -1.069 1.00 0.00 C ATOM 1731 CG ASP A 109 -3.658 -5.976 -1.420 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -4.738 -5.978 -2.047 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -3.071 -4.931 -1.068 1.00 0.00 O ATOM 0 H ASP A 109 -3.004 -6.467 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.014 -8.841 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.619 -7.796 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.034 -7.141 -0.654 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.114 -10.192 -1.446 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.197 -11.177 -1.366 1.00 0.00 C ATOM 1740 C PRO A 110 -6.486 -10.578 -0.814 1.00 0.00 C ATOM 1741 O PRO A 110 -6.454 -9.627 -0.035 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.645 -12.235 -0.407 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.651 -11.505 0.429 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.050 -10.455 -0.463 1.00 0.00 C ATOM 0 HA PRO A 110 -5.464 -11.570 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.437 -12.666 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.178 -13.057 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.129 -11.052 1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.885 -12.183 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.787 -9.556 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.138 -10.810 -0.943 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.618 -11.143 -1.223 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.918 -10.663 -0.768 1.00 0.00 C ATOM 1754 C GLU A 111 -9.195 -11.116 0.663 1.00 0.00 C ATOM 1755 O GLU A 111 -8.517 -12.001 1.187 1.00 0.00 O ATOM 1756 CB GLU A 111 -10.025 -11.165 -1.697 1.00 0.00 C ATOM 1757 CG GLU A 111 -10.124 -10.390 -3.000 1.00 0.00 C ATOM 1758 CD GLU A 111 -11.400 -10.691 -3.762 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -11.654 -11.881 -4.046 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -12.144 -9.738 -4.075 1.00 0.00 O ATOM 0 H GLU A 111 -7.661 -11.932 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.902 -9.573 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.849 -12.217 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.980 -11.106 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.075 -9.322 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.265 -10.630 -3.627 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.194 -10.503 1.288 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.561 -10.843 2.657 1.00 0.00 C ATOM 1769 C ILE A 112 -12.068 -10.735 2.865 1.00 0.00 C ATOM 1770 O ILE A 112 -12.714 -9.830 2.339 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.847 -9.934 3.674 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.758 -8.503 3.138 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.460 -10.475 3.986 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.600 -7.460 4.221 1.00 0.00 C ATOM 0 H ILE A 112 -10.764 -9.768 0.868 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.247 -11.874 2.821 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.427 -9.921 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.914 -8.433 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.657 -8.283 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.968 -9.821 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.546 -11.477 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.870 -10.514 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.544 -6.470 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.456 -7.502 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.686 -7.654 4.783 1.00 0.00 H new