USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 87 LYS NZ :NH3+ -157:sc= 1.79 (180deg=1.03) USER MOD Set 1.2: A 89 HIS : no HE2:sc= 1.72 K(o=3.5,f=-5.8!) USER MOD Set 2.1: A 44 HIS : no HE2:sc= 0.552 K(o=0.55,f=-2.9!) USER MOD Set 2.2: A 93 MET CE :methyl -173:sc= 0 (180deg=-0.0143) USER MOD Set 3.1: A 34 CYS SG : rot 180:sc= -0.235 USER MOD Set 3.2: A 69 MET CE :methyl -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.11) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 54:sc= 0.366 USER MOD Single : A 23 SER OG : rot 143:sc= 1.23 USER MOD Single : A 28 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.14) USER MOD Single : A 29 ASN : amide:sc= 0.0322 X(o=0.032,f=-0.00042) USER MOD Single : A 32 SER OG : rot -94:sc= 0.887 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.938 USER MOD Single : A 37 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-0.093) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -41:sc= 0.284 USER MOD Single : A 63 SER OG : rot -80:sc= 1.59 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.12) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 0.612 (180deg=-0.0201) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 2.04 (180deg=1.65) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -49:sc= 1.27 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.744 -0.483 0.837 1.00 0.00 N ATOM 127 CA PHE A 11 -10.698 0.492 1.177 1.00 0.00 C ATOM 128 C PHE A 11 -9.351 0.092 0.605 1.00 0.00 C ATOM 129 O PHE A 11 -8.302 0.273 1.219 1.00 0.00 O ATOM 130 CB PHE A 11 -10.621 0.676 2.694 1.00 0.00 C ATOM 131 CG PHE A 11 -11.965 0.975 3.315 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.723 2.015 2.758 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.473 0.238 4.397 1.00 0.00 C ATOM 134 CE1 PHE A 11 -13.959 2.368 3.314 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.726 0.574 4.946 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.463 1.650 4.413 1.00 0.00 C ATOM 0 HA PHE A 11 -10.966 1.446 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.210 -0.227 3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.931 1.488 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.351 2.547 1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.905 -0.584 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.524 3.190 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.122 0.007 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.413 1.923 4.848 1.00 0.00 H new ATOM 146 N VAL A 12 -9.374 -0.517 -0.571 1.00 0.00 N ATOM 147 CA VAL A 12 -8.127 -0.961 -1.180 1.00 0.00 C ATOM 148 C VAL A 12 -7.283 0.240 -1.579 1.00 0.00 C ATOM 149 O VAL A 12 -7.772 1.221 -2.143 1.00 0.00 O ATOM 150 CB VAL A 12 -8.301 -1.918 -2.359 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.939 -2.518 -2.743 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.250 -3.051 -1.989 1.00 0.00 C ATOM 0 H VAL A 12 -10.217 -0.712 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.612 -1.542 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.715 -1.360 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.066 -3.200 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.255 -1.717 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.529 -3.063 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.363 -3.723 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.844 -3.603 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.223 -2.638 -1.721 1.00 0.00 H new ATOM 162 N VAL A 13 -5.982 0.095 -1.378 1.00 0.00 N ATOM 163 CA VAL A 13 -4.973 0.833 -2.110 1.00 0.00 C ATOM 164 C VAL A 13 -4.029 -0.118 -2.832 1.00 0.00 C ATOM 165 O VAL A 13 -3.480 -1.049 -2.252 1.00 0.00 O ATOM 166 CB VAL A 13 -4.192 1.780 -1.190 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.081 2.904 -0.653 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.490 1.119 0.005 1.00 0.00 C ATOM 0 H VAL A 13 -5.595 -0.550 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.484 1.443 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.410 2.167 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.493 3.555 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.478 3.484 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.906 2.475 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.969 1.879 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.230 0.624 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.771 0.383 -0.356 1.00 0.00 H new ATOM 178 N LYS A 14 -3.864 0.106 -4.129 1.00 0.00 N ATOM 179 CA LYS A 14 -2.816 -0.482 -4.961 1.00 0.00 C ATOM 180 C LYS A 14 -1.515 0.217 -4.628 1.00 0.00 C ATOM 181 O LYS A 14 -1.503 1.405 -4.320 1.00 0.00 O ATOM 182 CB LYS A 14 -3.182 -0.197 -6.425 1.00 0.00 C ATOM 183 CG LYS A 14 -2.031 -0.207 -7.455 1.00 0.00 C ATOM 184 CD LYS A 14 -2.514 0.116 -8.872 1.00 0.00 C ATOM 185 CE LYS A 14 -1.400 -0.025 -9.922 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.230 -1.437 -10.339 1.00 0.00 N ATOM 0 H LYS A 14 -4.480 0.727 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.718 -1.555 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.922 -0.934 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.666 0.779 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.274 0.519 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.552 -1.186 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.339 -0.548 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.904 1.133 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.637 0.587 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.462 0.351 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.507 -1.494 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.931 -2.007 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.133 -1.802 -10.704 1.00 0.00 H new ATOM 200 N LEU A 15 -0.421 -0.505 -4.777 1.00 0.00 N ATOM 201 CA LEU A 15 0.925 -0.091 -4.451 1.00 0.00 C ATOM 202 C LEU A 15 1.816 -0.564 -5.578 1.00 0.00 C ATOM 203 O LEU A 15 1.866 -1.764 -5.861 1.00 0.00 O ATOM 204 CB LEU A 15 1.358 -0.730 -3.126 1.00 0.00 C ATOM 205 CG LEU A 15 0.387 -0.522 -1.981 1.00 0.00 C ATOM 206 CD1 LEU A 15 0.801 -1.270 -0.751 1.00 0.00 C ATOM 207 CD2 LEU A 15 0.216 0.924 -1.538 1.00 0.00 C ATOM 0 H LEU A 15 -0.453 -1.453 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 15 0.989 0.991 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.494 -1.800 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.328 -0.323 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.552 -0.888 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.077 -1.092 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.844 -2.337 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.784 -0.926 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.497 0.971 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.177 1.320 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.154 1.519 -2.373 1.00 0.00 H new ATOM 219 N ARG A 16 2.519 0.368 -6.214 1.00 0.00 N ATOM 220 CA ARG A 16 3.419 0.035 -7.317 1.00 0.00 C ATOM 221 C ARG A 16 4.759 0.717 -7.164 1.00 0.00 C ATOM 222 O ARG A 16 4.865 1.943 -7.229 1.00 0.00 O ATOM 223 CB ARG A 16 2.752 0.324 -8.663 1.00 0.00 C ATOM 224 CG ARG A 16 3.635 -0.218 -9.807 1.00 0.00 C ATOM 225 CD ARG A 16 4.492 0.821 -10.519 1.00 0.00 C ATOM 226 NE ARG A 16 3.698 1.850 -11.212 1.00 0.00 N ATOM 227 CZ ARG A 16 3.608 3.121 -10.873 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.197 3.614 -9.828 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.899 3.960 -11.560 1.00 0.00 N ATOM 0 H ARG A 16 2.484 1.361 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 16 3.622 -1.035 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.767 -0.141 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.602 1.397 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.290 -0.990 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.991 -0.700 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.146 1.304 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.135 0.319 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 16 3.168 1.551 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.760 3.011 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.098 4.605 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.392 3.643 -12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.847 4.938 -11.274 1.00 0.00 H new ATOM 243 N GLY A 17 5.771 -0.120 -6.999 1.00 0.00 N ATOM 244 CA GLY A 17 7.171 0.264 -7.008 1.00 0.00 C ATOM 245 C GLY A 17 8.050 -0.532 -6.020 1.00 0.00 C ATOM 246 O GLY A 17 9.273 -0.578 -6.176 1.00 0.00 O ATOM 0 H GLY A 17 5.634 -1.120 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.566 0.133 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.247 1.325 -6.771 1.00 0.00 H new ATOM 250 N LEU A 18 7.406 -1.138 -5.008 1.00 0.00 N ATOM 251 CA LEU A 18 7.969 -1.933 -3.905 1.00 0.00 C ATOM 252 C LEU A 18 9.105 -2.916 -4.302 1.00 0.00 C ATOM 253 O LEU A 18 9.200 -3.323 -5.461 1.00 0.00 O ATOM 254 CB LEU A 18 6.874 -2.690 -3.103 1.00 0.00 C ATOM 255 CG LEU A 18 5.482 -2.923 -3.722 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.943 -4.283 -3.296 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.443 -1.872 -3.322 1.00 0.00 C ATOM 0 H LEU A 18 6.390 -1.078 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 18 8.432 -1.179 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.281 -3.668 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.726 -2.149 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 18 5.630 -2.860 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.959 -4.439 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.621 -5.066 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.862 -4.318 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.490 -2.104 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.320 -1.876 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.779 -0.887 -3.645 1.00 0.00 H new ATOM 269 N PRO A 19 9.947 -3.359 -3.346 1.00 0.00 N ATOM 270 CA PRO A 19 10.979 -4.376 -3.576 1.00 0.00 C ATOM 271 C PRO A 19 10.485 -5.683 -4.221 1.00 0.00 C ATOM 272 O PRO A 19 9.349 -6.116 -4.012 1.00 0.00 O ATOM 273 CB PRO A 19 11.586 -4.661 -2.198 1.00 0.00 C ATOM 274 CG PRO A 19 11.338 -3.371 -1.428 1.00 0.00 C ATOM 275 CD PRO A 19 9.989 -2.905 -1.960 1.00 0.00 C ATOM 0 HA PRO A 19 11.694 -3.987 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.107 -5.514 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.650 -4.889 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.309 -3.543 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.120 -2.635 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.169 -3.330 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.894 -1.821 -1.898 1.00 0.00 H new ATOM 283 N TRP A 20 11.395 -6.377 -4.913 1.00 0.00 N ATOM 284 CA TRP A 20 11.199 -7.722 -5.490 1.00 0.00 C ATOM 285 C TRP A 20 10.892 -8.836 -4.462 1.00 0.00 C ATOM 286 O TRP A 20 10.551 -9.959 -4.838 1.00 0.00 O ATOM 287 CB TRP A 20 12.421 -8.084 -6.320 1.00 0.00 C ATOM 288 CG TRP A 20 12.673 -7.288 -7.569 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.758 -7.521 -8.326 1.00 0.00 C ATOM 290 CD2 TRP A 20 11.919 -6.235 -8.274 1.00 0.00 C ATOM 291 NE1 TRP A 20 13.774 -6.688 -9.423 1.00 0.00 N ATOM 292 CE2 TRP A 20 12.662 -5.880 -9.448 1.00 0.00 C ATOM 293 CE3 TRP A 20 10.699 -5.541 -8.080 1.00 0.00 C ATOM 294 CZ2 TRP A 20 12.238 -4.892 -10.350 1.00 0.00 C ATOM 295 CZ3 TRP A 20 10.254 -4.564 -8.995 1.00 0.00 C ATOM 296 CH2 TRP A 20 11.022 -4.231 -10.122 1.00 0.00 C ATOM 0 H TRP A 20 12.328 -6.007 -5.097 1.00 0.00 H new ATOM 0 HA TRP A 20 10.303 -7.664 -6.109 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.300 -7.994 -5.681 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.337 -9.134 -6.602 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.514 -8.260 -8.105 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.514 -6.673 -10.125 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.096 -5.765 -7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.841 -4.643 -11.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.311 -4.066 -8.826 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.679 -3.471 -10.809 1.00 0.00 H new ATOM 307 N SER A 21 11.001 -8.531 -3.164 1.00 0.00 N ATOM 308 CA SER A 21 10.748 -9.434 -2.029 1.00 0.00 C ATOM 309 C SER A 21 9.930 -8.765 -0.904 1.00 0.00 C ATOM 310 O SER A 21 9.988 -9.190 0.253 1.00 0.00 O ATOM 311 CB SER A 21 12.087 -9.989 -1.521 1.00 0.00 C ATOM 312 OG SER A 21 12.918 -8.957 -1.006 1.00 0.00 O ATOM 0 H SER A 21 11.283 -7.600 -2.858 1.00 0.00 H new ATOM 0 HA SER A 21 10.129 -10.261 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.903 -10.731 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.602 -10.500 -2.334 1.00 0.00 H new ATOM 0 HG SER A 21 13.761 -9.343 -0.690 1.00 0.00 H new ATOM 318 N CYS A 22 9.184 -7.698 -1.227 1.00 0.00 N ATOM 319 CA CYS A 22 8.347 -6.936 -0.287 1.00 0.00 C ATOM 320 C CYS A 22 7.320 -7.819 0.451 1.00 0.00 C ATOM 321 O CYS A 22 6.841 -8.815 -0.093 1.00 0.00 O ATOM 322 CB CYS A 22 7.643 -5.833 -1.088 1.00 0.00 C ATOM 323 SG CYS A 22 6.935 -4.566 0.005 1.00 0.00 S ATOM 0 H CYS A 22 9.145 -7.330 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 22 8.981 -6.512 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.353 -5.369 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.853 -6.272 -1.697 1.00 0.00 H new ATOM 0 HG CYS A 22 7.856 -4.120 0.807 1.00 0.00 H new ATOM 329 N SER A 23 6.931 -7.438 1.667 1.00 0.00 N ATOM 330 CA SER A 23 5.933 -8.164 2.464 1.00 0.00 C ATOM 331 C SER A 23 5.022 -7.249 3.261 1.00 0.00 C ATOM 332 O SER A 23 5.249 -6.059 3.444 1.00 0.00 O ATOM 333 CB SER A 23 6.585 -9.139 3.459 1.00 0.00 C ATOM 334 OG SER A 23 7.391 -8.454 4.404 1.00 0.00 O ATOM 0 H SER A 23 7.301 -6.610 2.134 1.00 0.00 H new ATOM 0 HA SER A 23 5.343 -8.707 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.810 -9.702 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.194 -9.862 2.916 1.00 0.00 H new ATOM 0 HG SER A 23 7.306 -8.885 5.280 1.00 0.00 H new ATOM 340 N VAL A 24 3.990 -7.856 3.820 1.00 0.00 N ATOM 341 CA VAL A 24 3.155 -7.362 4.886 1.00 0.00 C ATOM 342 C VAL A 24 3.838 -6.602 6.024 1.00 0.00 C ATOM 343 O VAL A 24 3.256 -5.666 6.550 1.00 0.00 O ATOM 344 CB VAL A 24 2.405 -8.564 5.459 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.239 -8.002 6.211 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.870 -9.498 4.370 1.00 0.00 C ATOM 0 H VAL A 24 3.696 -8.782 3.510 1.00 0.00 H new ATOM 0 HA VAL A 24 2.515 -6.606 4.432 1.00 0.00 H new ATOM 0 HB VAL A 24 3.083 -9.151 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.660 -8.816 6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.599 -7.348 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.607 -7.432 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.346 -10.334 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.182 -8.950 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.701 -9.876 3.774 1.00 0.00 H new ATOM 356 N GLU A 25 5.061 -6.927 6.426 1.00 0.00 N ATOM 357 CA GLU A 25 5.725 -6.168 7.489 1.00 0.00 C ATOM 358 C GLU A 25 6.261 -4.843 6.947 1.00 0.00 C ATOM 359 O GLU A 25 6.333 -3.846 7.658 1.00 0.00 O ATOM 360 CB GLU A 25 6.863 -7.005 8.060 1.00 0.00 C ATOM 361 CG GLU A 25 6.332 -8.252 8.778 1.00 0.00 C ATOM 362 CD GLU A 25 6.044 -9.460 7.856 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.696 -9.610 6.792 1.00 0.00 O ATOM 364 OE2 GLU A 25 5.167 -10.285 8.206 1.00 0.00 O ATOM 0 H GLU A 25 5.609 -7.697 6.042 1.00 0.00 H new ATOM 0 HA GLU A 25 5.005 -5.944 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.536 -7.304 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.446 -6.403 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.057 -8.555 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.415 -7.988 9.304 1.00 0.00 H new ATOM 371 N ASP A 26 6.567 -4.828 5.656 1.00 0.00 N ATOM 372 CA ASP A 26 7.076 -3.715 4.872 1.00 0.00 C ATOM 373 C ASP A 26 5.991 -2.721 4.435 1.00 0.00 C ATOM 374 O ASP A 26 6.262 -1.542 4.208 1.00 0.00 O ATOM 375 CB ASP A 26 7.673 -4.312 3.598 1.00 0.00 C ATOM 376 CG ASP A 26 8.928 -3.574 3.101 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.459 -2.696 3.823 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.394 -3.906 1.986 1.00 0.00 O ATOM 0 H ASP A 26 6.455 -5.666 5.085 1.00 0.00 H new ATOM 0 HA ASP A 26 7.789 -3.171 5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.924 -5.357 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.918 -4.298 2.812 1.00 0.00 H new ATOM 383 N VAL A 27 4.755 -3.207 4.310 1.00 0.00 N ATOM 384 CA VAL A 27 3.614 -2.469 3.741 1.00 0.00 C ATOM 385 C VAL A 27 2.977 -1.666 4.876 1.00 0.00 C ATOM 386 O VAL A 27 2.644 -0.490 4.751 1.00 0.00 O ATOM 387 CB VAL A 27 2.648 -3.473 3.054 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.677 -4.171 3.978 1.00 0.00 C ATOM 389 CG2 VAL A 27 1.907 -2.874 1.874 1.00 0.00 C ATOM 0 H VAL A 27 4.508 -4.150 4.609 1.00 0.00 H new ATOM 0 HA VAL A 27 3.913 -1.765 2.964 1.00 0.00 H new ATOM 0 HB VAL A 27 3.326 -4.244 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.049 -4.849 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.231 -4.738 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.050 -3.430 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.249 -3.626 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.314 -2.024 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.625 -2.542 1.124 1.00 0.00 H new ATOM 399 N GLN A 28 2.965 -2.307 6.043 1.00 0.00 N ATOM 400 CA GLN A 28 2.720 -1.777 7.365 1.00 0.00 C ATOM 401 C GLN A 28 3.867 -0.885 7.899 1.00 0.00 C ATOM 402 O GLN A 28 3.587 0.129 8.529 1.00 0.00 O ATOM 403 CB GLN A 28 2.551 -3.038 8.207 1.00 0.00 C ATOM 404 CG GLN A 28 1.175 -3.720 8.112 1.00 0.00 C ATOM 405 CD GLN A 28 0.843 -4.320 9.473 1.00 0.00 C ATOM 406 OE1 GLN A 28 0.758 -3.652 10.496 1.00 0.00 O ATOM 407 NE2 GLN A 28 0.696 -5.615 9.552 1.00 0.00 N ATOM 0 H GLN A 28 3.146 -3.310 6.080 1.00 0.00 H new ATOM 0 HA GLN A 28 1.857 -1.111 7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.314 -3.757 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.740 -2.785 9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.413 -2.998 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.188 -4.497 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.763 -6.188 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.514 -6.053 10.455 1.00 0.00 H new ATOM 416 N ASN A 29 5.144 -1.193 7.624 1.00 0.00 N ATOM 417 CA ASN A 29 6.297 -0.295 7.847 1.00 0.00 C ATOM 418 C ASN A 29 6.182 0.999 7.034 1.00 0.00 C ATOM 419 O ASN A 29 6.360 2.086 7.586 1.00 0.00 O ATOM 420 CB ASN A 29 7.589 -1.048 7.484 1.00 0.00 C ATOM 421 CG ASN A 29 8.762 -0.156 7.105 1.00 0.00 C ATOM 422 OD1 ASN A 29 9.214 0.685 7.869 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.270 -0.287 5.901 1.00 0.00 N ATOM 0 H ASN A 29 5.414 -2.095 7.231 1.00 0.00 H new ATOM 0 HA ASN A 29 6.315 -0.006 8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.881 -1.669 8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.379 -1.721 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.040 0.312 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.894 -0.988 5.262 1.00 0.00 H new ATOM 430 N PHE A 30 5.854 0.903 5.741 1.00 0.00 N ATOM 431 CA PHE A 30 5.622 2.070 4.912 1.00 0.00 C ATOM 432 C PHE A 30 4.508 2.940 5.485 1.00 0.00 C ATOM 433 O PHE A 30 4.632 4.163 5.508 1.00 0.00 O ATOM 434 CB PHE A 30 5.335 1.642 3.471 1.00 0.00 C ATOM 435 CG PHE A 30 5.115 2.824 2.561 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.100 3.818 2.486 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.927 2.959 1.827 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.926 4.925 1.650 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.739 4.088 1.006 1.00 0.00 C ATOM 440 CZ PHE A 30 4.749 5.065 0.902 1.00 0.00 C ATOM 0 H PHE A 30 5.745 0.015 5.251 1.00 0.00 H new ATOM 0 HA PHE A 30 6.524 2.682 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.169 1.047 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.453 1.002 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.999 3.728 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.160 2.201 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.701 5.674 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.818 4.205 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.617 5.916 0.250 1.00 0.00 H new ATOM 450 N LEU A 31 3.472 2.310 6.039 1.00 0.00 N ATOM 451 CA LEU A 31 2.295 2.987 6.586 1.00 0.00 C ATOM 452 C LEU A 31 2.180 2.836 8.100 1.00 0.00 C ATOM 453 O LEU A 31 1.112 2.622 8.675 1.00 0.00 O ATOM 454 CB LEU A 31 1.082 2.615 5.768 1.00 0.00 C ATOM 455 CG LEU A 31 1.244 3.390 4.448 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.713 2.499 3.385 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.541 4.740 4.444 1.00 0.00 C ATOM 0 H LEU A 31 3.426 1.294 6.122 1.00 0.00 H new ATOM 0 HA LEU A 31 2.395 4.068 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.038 1.540 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.160 2.893 6.279 1.00 0.00 H new ATOM 0 HG LEU A 31 2.294 3.636 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.800 2.994 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.284 1.571 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.335 2.277 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.698 5.229 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.527 4.595 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.948 5.364 5.240 1.00 0.00 H new ATOM 469 N SER A 32 3.332 3.060 8.721 1.00 0.00 N ATOM 470 CA SER A 32 3.586 3.381 10.138 1.00 0.00 C ATOM 471 C SER A 32 2.985 4.752 10.546 1.00 0.00 C ATOM 472 O SER A 32 3.599 5.608 11.185 1.00 0.00 O ATOM 473 CB SER A 32 5.093 3.252 10.399 1.00 0.00 C ATOM 474 OG SER A 32 5.871 4.067 9.534 1.00 0.00 O ATOM 0 H SER A 32 4.207 3.019 8.199 1.00 0.00 H new ATOM 0 HA SER A 32 3.070 2.670 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.303 3.524 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.391 2.211 10.276 1.00 0.00 H new ATOM 0 HG SER A 32 6.155 3.541 8.757 1.00 0.00 H new ATOM 480 N ASP A 33 1.756 4.951 10.075 1.00 0.00 N ATOM 481 CA ASP A 33 0.988 6.184 9.869 1.00 0.00 C ATOM 482 C ASP A 33 -0.534 5.908 9.767 1.00 0.00 C ATOM 483 O ASP A 33 -1.342 6.824 9.929 1.00 0.00 O ATOM 484 CB ASP A 33 1.463 6.780 8.528 1.00 0.00 C ATOM 485 CG ASP A 33 0.697 8.044 8.102 1.00 0.00 C ATOM 486 OD1 ASP A 33 0.841 9.114 8.739 1.00 0.00 O ATOM 487 OD2 ASP A 33 -0.039 7.999 7.092 1.00 0.00 O ATOM 0 H ASP A 33 1.199 4.145 9.790 1.00 0.00 H new ATOM 0 HA ASP A 33 1.148 6.855 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.524 7.018 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.360 6.025 7.749 1.00 0.00 H new ATOM 492 N CYS A 34 -0.941 4.660 9.488 1.00 0.00 N ATOM 493 CA CYS A 34 -2.235 4.307 8.912 1.00 0.00 C ATOM 494 C CYS A 34 -2.814 3.024 9.535 1.00 0.00 C ATOM 495 O CYS A 34 -2.065 2.146 9.976 1.00 0.00 O ATOM 496 CB CYS A 34 -1.991 4.091 7.408 1.00 0.00 C ATOM 497 SG CYS A 34 -3.463 4.532 6.475 1.00 0.00 S ATOM 0 H CYS A 34 -0.353 3.845 9.666 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.959 5.099 9.105 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.147 4.696 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.730 3.050 7.220 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.244 4.348 5.207 1.00 0.00 H new ATOM 503 N THR A 35 -4.140 2.877 9.518 1.00 0.00 N ATOM 504 CA THR A 35 -4.840 1.657 9.951 1.00 0.00 C ATOM 505 C THR A 35 -5.150 0.780 8.740 1.00 0.00 C ATOM 506 O THR A 35 -5.744 1.240 7.769 1.00 0.00 O ATOM 507 CB THR A 35 -6.182 1.951 10.663 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.209 3.223 11.277 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.504 0.910 11.734 1.00 0.00 C ATOM 0 H THR A 35 -4.772 3.612 9.199 1.00 0.00 H new ATOM 0 HA THR A 35 -4.173 1.158 10.654 1.00 0.00 H new ATOM 0 HB THR A 35 -6.930 1.917 9.871 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.266 3.918 10.588 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.454 1.157 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.573 -0.076 11.274 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.715 0.905 12.486 1.00 0.00 H new ATOM 517 N ILE A 36 -4.814 -0.506 8.804 1.00 0.00 N ATOM 518 CA ILE A 36 -5.258 -1.524 7.837 1.00 0.00 C ATOM 519 C ILE A 36 -6.421 -2.308 8.457 1.00 0.00 C ATOM 520 O ILE A 36 -6.653 -2.276 9.665 1.00 0.00 O ATOM 521 CB ILE A 36 -4.091 -2.512 7.515 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.636 -1.985 7.569 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.287 -3.246 6.179 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.196 -0.917 6.558 1.00 0.00 C ATOM 0 H ILE A 36 -4.216 -0.883 9.539 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.571 -1.036 6.914 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.180 -3.184 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.468 -1.582 8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.971 -2.841 7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.447 -3.919 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.212 -3.822 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.341 -2.519 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.152 -0.659 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.309 -1.305 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.814 -0.027 6.676 1.00 0.00 H new ATOM 536 N HIS A 37 -7.150 -3.042 7.622 1.00 0.00 N ATOM 537 CA HIS A 37 -8.406 -3.712 7.984 1.00 0.00 C ATOM 538 C HIS A 37 -8.237 -5.070 8.701 1.00 0.00 C ATOM 539 O HIS A 37 -9.202 -5.715 9.113 1.00 0.00 O ATOM 540 CB HIS A 37 -9.289 -3.630 6.727 1.00 0.00 C ATOM 541 CG HIS A 37 -9.968 -4.831 6.116 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.082 -4.746 5.313 1.00 0.00 N ATOM 543 CD2 HIS A 37 -9.513 -6.123 6.023 1.00 0.00 C ATOM 544 CE1 HIS A 37 -11.309 -5.948 4.767 1.00 0.00 C ATOM 545 NE2 HIS A 37 -10.384 -6.831 5.182 1.00 0.00 N ATOM 0 H HIS A 37 -6.882 -3.194 6.650 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.935 -3.212 8.795 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.077 -2.910 6.950 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.670 -3.193 5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.637 -6.524 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.119 -6.175 4.090 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.327 -7.819 4.935 1.00 0.00 H new ATOM 553 N ASP A 38 -6.977 -5.435 8.925 1.00 0.00 N ATOM 554 CA ASP A 38 -6.486 -6.413 9.909 1.00 0.00 C ATOM 555 C ASP A 38 -5.000 -6.146 10.212 1.00 0.00 C ATOM 556 O ASP A 38 -4.613 -5.926 11.361 1.00 0.00 O ATOM 557 CB ASP A 38 -6.648 -7.837 9.359 1.00 0.00 C ATOM 558 CG ASP A 38 -5.808 -8.854 10.154 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.268 -9.329 11.219 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.679 -9.155 9.697 1.00 0.00 O ATOM 0 H ASP A 38 -6.212 -5.029 8.387 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.067 -6.314 10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.699 -8.124 9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.349 -7.858 8.311 1.00 0.00 H new ATOM 565 N GLY A 39 -4.183 -6.155 9.154 1.00 0.00 N ATOM 566 CA GLY A 39 -2.725 -6.020 9.197 1.00 0.00 C ATOM 567 C GLY A 39 -2.012 -6.891 8.169 1.00 0.00 C ATOM 568 O GLY A 39 -1.087 -6.434 7.502 1.00 0.00 O ATOM 0 H GLY A 39 -4.536 -6.261 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.458 -4.977 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.371 -6.282 10.194 1.00 0.00 H new ATOM 572 N ALA A 40 -2.505 -8.112 7.978 1.00 0.00 N ATOM 573 CA ALA A 40 -2.079 -9.049 6.934 1.00 0.00 C ATOM 574 C ALA A 40 -3.287 -9.674 6.226 1.00 0.00 C ATOM 575 O ALA A 40 -3.246 -9.916 5.020 1.00 0.00 O ATOM 576 CB ALA A 40 -1.260 -10.160 7.610 1.00 0.00 C ATOM 0 H ALA A 40 -3.243 -8.494 8.569 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.489 -8.517 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.927 -10.876 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.392 -9.723 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.879 -10.671 8.348 1.00 0.00 H new ATOM 582 N ALA A 41 -4.408 -9.826 6.934 1.00 0.00 N ATOM 583 CA ALA A 41 -5.689 -10.249 6.354 1.00 0.00 C ATOM 584 C ALA A 41 -6.419 -9.071 5.667 1.00 0.00 C ATOM 585 O ALA A 41 -7.640 -9.089 5.505 1.00 0.00 O ATOM 586 CB ALA A 41 -6.530 -10.953 7.430 1.00 0.00 C ATOM 0 H ALA A 41 -4.455 -9.657 7.939 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.509 -10.972 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.481 -11.267 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.992 -11.826 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.714 -10.265 8.255 1.00 0.00 H new ATOM 592 N GLY A 42 -5.666 -8.032 5.279 1.00 0.00 N ATOM 593 CA GLY A 42 -6.122 -6.875 4.525 1.00 0.00 C ATOM 594 C GLY A 42 -5.032 -6.440 3.551 1.00 0.00 C ATOM 595 O GLY A 42 -5.046 -5.318 3.073 1.00 0.00 O ATOM 0 H GLY A 42 -4.671 -7.982 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.034 -7.119 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.365 -6.058 5.204 1.00 0.00 H new ATOM 599 N VAL A 43 -4.056 -7.300 3.252 1.00 0.00 N ATOM 600 CA VAL A 43 -2.985 -7.054 2.325 1.00 0.00 C ATOM 601 C VAL A 43 -2.879 -8.224 1.349 1.00 0.00 C ATOM 602 O VAL A 43 -3.182 -9.373 1.684 1.00 0.00 O ATOM 603 CB VAL A 43 -1.698 -6.824 3.117 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.762 -5.901 4.336 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.810 -7.997 3.352 1.00 0.00 C ATOM 0 H VAL A 43 -4.002 -8.226 3.677 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.174 -6.161 1.730 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.193 -6.236 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.775 -5.835 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.084 -4.908 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.472 -6.302 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.062 -7.684 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.355 -8.760 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.487 -8.406 2.395 1.00 0.00 H new ATOM 615 N HIS A 44 -2.419 -7.929 0.141 1.00 0.00 N ATOM 616 CA HIS A 44 -2.284 -8.882 -0.946 1.00 0.00 C ATOM 617 C HIS A 44 -1.096 -8.468 -1.810 1.00 0.00 C ATOM 618 O HIS A 44 -0.867 -7.279 -2.032 1.00 0.00 O ATOM 619 CB HIS A 44 -3.557 -8.898 -1.807 1.00 0.00 C ATOM 620 CG HIS A 44 -4.861 -8.554 -1.129 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.294 -7.274 -0.879 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.862 -9.401 -0.737 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.521 -7.337 -0.349 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.915 -8.618 -0.234 1.00 0.00 N ATOM 0 H HIS A 44 -2.120 -6.988 -0.115 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.129 -9.880 -0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.413 -8.201 -2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.656 -9.892 -2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.769 -6.420 -1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.846 -10.479 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.111 -6.481 -0.055 1.00 0.00 H new ATOM 632 N PHE A 45 -0.363 -9.438 -2.338 1.00 0.00 N ATOM 633 CA PHE A 45 0.869 -9.198 -3.084 1.00 0.00 C ATOM 634 C PHE A 45 0.758 -9.805 -4.485 1.00 0.00 C ATOM 635 O PHE A 45 0.078 -10.812 -4.688 1.00 0.00 O ATOM 636 CB PHE A 45 2.052 -9.715 -2.250 1.00 0.00 C ATOM 637 CG PHE A 45 2.473 -8.727 -1.172 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.760 -8.597 0.045 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.551 -7.858 -1.435 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.099 -7.577 0.946 1.00 0.00 C ATOM 641 CE2 PHE A 45 3.907 -6.866 -0.507 1.00 0.00 C ATOM 642 CZ PHE A 45 3.175 -6.724 0.681 1.00 0.00 C ATOM 0 H PHE A 45 -0.608 -10.425 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 45 1.043 -8.135 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.780 -10.663 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.898 -9.914 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.958 -9.281 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.107 -7.956 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.525 -7.449 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.744 -6.213 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.442 -5.956 1.391 1.00 0.00 H new ATOM 652 N ILE A 46 1.380 -9.148 -5.463 1.00 0.00 N ATOM 653 CA ILE A 46 1.318 -9.526 -6.882 1.00 0.00 C ATOM 654 C ILE A 46 2.626 -10.180 -7.264 1.00 0.00 C ATOM 655 O ILE A 46 3.706 -9.879 -6.759 1.00 0.00 O ATOM 656 CB ILE A 46 1.034 -8.298 -7.780 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.246 -7.542 -7.311 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.050 -8.631 -9.297 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.459 -7.668 -8.229 1.00 0.00 C ATOM 0 H ILE A 46 1.953 -8.322 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 46 0.497 -10.227 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 46 1.866 -7.605 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.521 -7.909 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.003 -6.485 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.844 -7.727 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.030 -9.021 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.288 -9.379 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.293 -7.105 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.213 -7.272 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.739 -8.717 -8.320 1.00 0.00 H new ATOM 671 N TYR A 47 2.477 -11.108 -8.184 1.00 0.00 N ATOM 672 CA TYR A 47 3.299 -12.277 -8.324 1.00 0.00 C ATOM 673 C TYR A 47 3.645 -12.401 -9.806 1.00 0.00 C ATOM 674 O TYR A 47 2.754 -12.317 -10.652 1.00 0.00 O ATOM 675 CB TYR A 47 2.427 -13.421 -7.793 1.00 0.00 C ATOM 676 CG TYR A 47 2.114 -13.434 -6.300 1.00 0.00 C ATOM 677 CD1 TYR A 47 3.078 -13.060 -5.338 1.00 0.00 C ATOM 678 CD2 TYR A 47 0.840 -13.864 -5.875 1.00 0.00 C ATOM 679 CE1 TYR A 47 2.756 -13.087 -3.967 1.00 0.00 C ATOM 680 CE2 TYR A 47 0.519 -13.908 -4.505 1.00 0.00 C ATOM 681 CZ TYR A 47 1.474 -13.505 -3.546 1.00 0.00 C ATOM 682 OH TYR A 47 1.168 -13.523 -2.219 1.00 0.00 O ATOM 0 H TYR A 47 1.740 -11.059 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 47 4.243 -12.263 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.481 -13.402 -8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.918 -14.362 -8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.064 -12.753 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.104 -14.162 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.492 -12.787 -3.235 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.455 -14.249 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 47 0.246 -13.835 -2.100 1.00 0.00 H new ATOM 793 N SER A 54 6.213 -8.742 -7.722 1.00 0.00 N ATOM 794 CA SER A 54 6.340 -7.938 -8.955 1.00 0.00 C ATOM 795 C SER A 54 6.649 -6.441 -8.710 1.00 0.00 C ATOM 796 O SER A 54 6.393 -5.594 -9.568 1.00 0.00 O ATOM 797 CB SER A 54 5.046 -8.137 -9.765 1.00 0.00 C ATOM 798 OG SER A 54 5.156 -7.670 -11.099 1.00 0.00 O ATOM 0 HA SER A 54 7.208 -8.289 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.789 -9.196 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.228 -7.615 -9.268 1.00 0.00 H new ATOM 0 HG SER A 54 5.650 -6.824 -11.110 1.00 0.00 H new ATOM 804 N GLY A 55 7.122 -6.088 -7.507 1.00 0.00 N ATOM 805 CA GLY A 55 7.027 -4.740 -6.929 1.00 0.00 C ATOM 806 C GLY A 55 5.636 -4.132 -7.066 1.00 0.00 C ATOM 807 O GLY A 55 5.490 -2.938 -7.326 1.00 0.00 O ATOM 0 H GLY A 55 7.594 -6.750 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.297 -4.783 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.752 -4.089 -7.417 1.00 0.00 H new ATOM 811 N GLU A 56 4.617 -4.967 -6.889 1.00 0.00 N ATOM 812 CA GLU A 56 3.212 -4.597 -6.922 1.00 0.00 C ATOM 813 C GLU A 56 2.426 -5.361 -5.860 1.00 0.00 C ATOM 814 O GLU A 56 2.699 -6.529 -5.565 1.00 0.00 O ATOM 815 CB GLU A 56 2.635 -4.839 -8.325 1.00 0.00 C ATOM 816 CG GLU A 56 2.737 -3.577 -9.194 1.00 0.00 C ATOM 817 CD GLU A 56 1.363 -3.106 -9.695 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.424 -2.982 -8.875 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.207 -2.801 -10.902 1.00 0.00 O ATOM 0 H GLU A 56 4.757 -5.962 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 56 3.123 -3.535 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.171 -5.658 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.592 -5.144 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.206 -2.778 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.384 -3.777 -10.048 1.00 0.00 H new ATOM 826 N ALA A 57 1.461 -4.671 -5.264 1.00 0.00 N ATOM 827 CA ALA A 57 0.617 -5.174 -4.192 1.00 0.00 C ATOM 828 C ALA A 57 -0.632 -4.301 -4.033 1.00 0.00 C ATOM 829 O ALA A 57 -0.720 -3.210 -4.587 1.00 0.00 O ATOM 830 CB ALA A 57 1.452 -5.194 -2.911 1.00 0.00 C ATOM 0 H ALA A 57 1.238 -3.711 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 57 0.270 -6.182 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.845 -5.568 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.315 -5.845 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.792 -4.184 -2.682 1.00 0.00 H new ATOM 836 N PHE A 58 -1.607 -4.791 -3.281 1.00 0.00 N ATOM 837 CA PHE A 58 -2.907 -4.157 -3.055 1.00 0.00 C ATOM 838 C PHE A 58 -3.291 -4.396 -1.579 1.00 0.00 C ATOM 839 O PHE A 58 -3.109 -5.495 -1.063 1.00 0.00 O ATOM 840 CB PHE A 58 -3.934 -4.789 -3.994 1.00 0.00 C ATOM 841 CG PHE A 58 -3.808 -4.350 -5.449 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.755 -4.838 -6.247 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.718 -3.433 -6.014 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.536 -4.326 -7.533 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.595 -3.058 -7.363 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.476 -3.458 -8.107 1.00 0.00 C ATOM 0 H PHE A 58 -1.514 -5.679 -2.789 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.872 -3.086 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.836 -5.873 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.934 -4.543 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.110 -5.615 -5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.511 -3.018 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.646 -4.599 -8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.365 -2.460 -7.828 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.339 -3.100 -9.117 1.00 0.00 H new ATOM 856 N VAL A 59 -3.843 -3.414 -0.875 1.00 0.00 N ATOM 857 CA VAL A 59 -4.044 -3.427 0.592 1.00 0.00 C ATOM 858 C VAL A 59 -5.419 -2.842 0.927 1.00 0.00 C ATOM 859 O VAL A 59 -5.622 -1.641 0.791 1.00 0.00 O ATOM 860 CB VAL A 59 -2.934 -2.607 1.285 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.210 -2.309 2.765 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.619 -3.385 1.246 1.00 0.00 C ATOM 0 H VAL A 59 -4.177 -2.555 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.996 -4.455 0.952 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.891 -1.665 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.385 -1.730 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.135 -1.739 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.307 -3.246 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.838 -2.804 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.743 -4.336 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.337 -3.571 0.210 1.00 0.00 H new ATOM 872 N GLU A 60 -6.362 -3.672 1.366 1.00 0.00 N ATOM 873 CA GLU A 60 -7.569 -3.254 2.098 1.00 0.00 C ATOM 874 C GLU A 60 -7.197 -2.504 3.390 1.00 0.00 C ATOM 875 O GLU A 60 -6.818 -3.113 4.394 1.00 0.00 O ATOM 876 CB GLU A 60 -8.401 -4.493 2.483 1.00 0.00 C ATOM 877 CG GLU A 60 -9.285 -5.035 1.363 1.00 0.00 C ATOM 878 CD GLU A 60 -10.649 -4.322 1.359 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.710 -3.111 1.048 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.666 -4.972 1.697 1.00 0.00 O ATOM 0 H GLU A 60 -6.313 -4.681 1.222 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.142 -2.594 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.724 -5.283 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.031 -4.241 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.791 -4.893 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.429 -6.108 1.492 1.00 0.00 H new ATOM 887 N LEU A 61 -7.310 -1.178 3.388 1.00 0.00 N ATOM 888 CA LEU A 61 -7.128 -0.362 4.595 1.00 0.00 C ATOM 889 C LEU A 61 -8.334 -0.418 5.548 1.00 0.00 C ATOM 890 O LEU A 61 -9.400 -0.933 5.230 1.00 0.00 O ATOM 891 CB LEU A 61 -6.749 1.087 4.254 1.00 0.00 C ATOM 892 CG LEU A 61 -5.301 1.238 3.813 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.955 2.410 2.948 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.296 1.189 4.954 1.00 0.00 C ATOM 0 H LEU A 61 -7.530 -0.635 2.553 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.291 -0.807 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.403 1.450 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.924 1.717 5.126 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.219 0.352 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.891 2.387 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.531 2.363 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.190 3.334 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.288 1.304 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.503 1.997 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.376 0.231 5.469 1.00 0.00 H new ATOM 906 N GLY A 62 -8.160 0.111 6.755 1.00 0.00 N ATOM 907 CA GLY A 62 -9.143 0.030 7.832 1.00 0.00 C ATOM 908 C GLY A 62 -10.340 0.992 7.701 1.00 0.00 C ATOM 909 O GLY A 62 -11.360 0.792 8.363 1.00 0.00 O ATOM 0 H GLY A 62 -7.315 0.618 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.522 -0.991 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.639 0.229 8.778 1.00 0.00 H new ATOM 913 N SER A 63 -10.250 1.981 6.806 1.00 0.00 N ATOM 914 CA SER A 63 -11.311 2.912 6.385 1.00 0.00 C ATOM 915 C SER A 63 -10.880 3.660 5.111 1.00 0.00 C ATOM 916 O SER A 63 -9.713 3.586 4.725 1.00 0.00 O ATOM 917 CB SER A 63 -11.616 3.909 7.511 1.00 0.00 C ATOM 918 OG SER A 63 -10.563 4.833 7.691 1.00 0.00 O ATOM 0 H SER A 63 -9.373 2.168 6.320 1.00 0.00 H new ATOM 0 HA SER A 63 -12.216 2.344 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.536 4.446 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.787 3.367 8.441 1.00 0.00 H new ATOM 0 HG SER A 63 -9.849 4.416 8.217 1.00 0.00 H new ATOM 924 N GLU A 64 -11.754 4.425 4.447 1.00 0.00 N ATOM 925 CA GLU A 64 -11.312 5.289 3.334 1.00 0.00 C ATOM 926 C GLU A 64 -10.545 6.523 3.837 1.00 0.00 C ATOM 927 O GLU A 64 -9.762 7.095 3.093 1.00 0.00 O ATOM 928 CB GLU A 64 -12.463 5.647 2.377 1.00 0.00 C ATOM 929 CG GLU A 64 -11.944 5.741 0.930 1.00 0.00 C ATOM 930 CD GLU A 64 -13.063 5.793 -0.128 1.00 0.00 C ATOM 931 OE1 GLU A 64 -14.061 6.527 0.067 1.00 0.00 O ATOM 932 OE2 GLU A 64 -12.917 5.136 -1.191 1.00 0.00 O ATOM 0 H GLU A 64 -12.752 4.468 4.651 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.605 4.708 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.247 4.892 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.909 6.596 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.323 6.632 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.304 4.883 0.727 1.00 0.00 H new ATOM 939 N ASP A 65 -10.664 6.914 5.106 1.00 0.00 N ATOM 940 CA ASP A 65 -9.750 7.887 5.703 1.00 0.00 C ATOM 941 C ASP A 65 -8.342 7.289 5.900 1.00 0.00 C ATOM 942 O ASP A 65 -7.354 7.997 5.731 1.00 0.00 O ATOM 943 CB ASP A 65 -10.370 8.415 7.001 1.00 0.00 C ATOM 944 CG ASP A 65 -11.346 9.582 6.749 1.00 0.00 C ATOM 945 OD1 ASP A 65 -12.092 9.568 5.736 1.00 0.00 O ATOM 946 OD2 ASP A 65 -11.364 10.533 7.566 1.00 0.00 O ATOM 0 H ASP A 65 -11.385 6.571 5.741 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.611 8.731 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.897 7.605 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.577 8.745 7.672 1.00 0.00 H new ATOM 951 N ASP A 66 -8.225 5.978 6.135 1.00 0.00 N ATOM 952 CA ASP A 66 -6.977 5.227 5.940 1.00 0.00 C ATOM 953 C ASP A 66 -6.519 5.247 4.485 1.00 0.00 C ATOM 954 O ASP A 66 -5.366 5.607 4.250 1.00 0.00 O ATOM 955 CB ASP A 66 -7.046 3.848 6.579 1.00 0.00 C ATOM 956 CG ASP A 66 -7.280 3.972 8.091 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.368 4.450 8.805 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.381 3.605 8.563 1.00 0.00 O ATOM 0 H ASP A 66 -8.998 5.403 6.468 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.180 5.740 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.851 3.270 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.119 3.306 6.391 1.00 0.00 H new ATOM 963 N VAL A 67 -7.378 4.988 3.489 1.00 0.00 N ATOM 964 CA VAL A 67 -6.947 5.079 2.089 1.00 0.00 C ATOM 965 C VAL A 67 -6.335 6.437 1.764 1.00 0.00 C ATOM 966 O VAL A 67 -5.210 6.509 1.286 1.00 0.00 O ATOM 967 CB VAL A 67 -8.040 4.713 1.078 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.761 3.417 1.391 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.756 5.797 0.276 1.00 0.00 C ATOM 0 H VAL A 67 -8.353 4.720 3.622 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.170 4.322 1.985 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.442 4.471 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.518 3.229 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.045 2.595 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.239 3.493 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.492 5.336 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.258 6.483 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.029 6.347 -0.321 1.00 0.00 H new ATOM 979 N LYS A 68 -7.054 7.507 2.110 1.00 0.00 N ATOM 980 CA LYS A 68 -6.678 8.920 2.039 1.00 0.00 C ATOM 981 C LYS A 68 -5.370 9.233 2.773 1.00 0.00 C ATOM 982 O LYS A 68 -4.545 9.968 2.235 1.00 0.00 O ATOM 983 CB LYS A 68 -7.852 9.711 2.629 1.00 0.00 C ATOM 984 CG LYS A 68 -9.066 9.822 1.685 1.00 0.00 C ATOM 985 CD LYS A 68 -10.309 10.355 2.426 1.00 0.00 C ATOM 986 CE LYS A 68 -11.565 9.553 2.057 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.691 9.841 2.984 1.00 0.00 N ATOM 0 H LYS A 68 -7.998 7.396 2.480 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.486 9.199 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.168 9.235 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.510 10.714 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.824 10.485 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.287 8.844 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.144 10.302 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.460 11.406 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.863 9.792 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.337 8.487 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.476 9.186 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.372 9.719 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.014 10.820 2.844 1.00 0.00 H new ATOM 1001 N MET A 69 -5.130 8.654 3.952 1.00 0.00 N ATOM 1002 CA MET A 69 -3.835 8.743 4.640 1.00 0.00 C ATOM 1003 C MET A 69 -2.705 8.090 3.844 1.00 0.00 C ATOM 1004 O MET A 69 -1.659 8.692 3.614 1.00 0.00 O ATOM 1005 CB MET A 69 -3.912 8.143 6.048 1.00 0.00 C ATOM 1006 CG MET A 69 -4.523 9.181 6.981 1.00 0.00 C ATOM 1007 SD MET A 69 -4.250 8.913 8.750 1.00 0.00 S ATOM 1008 CE MET A 69 -5.118 7.335 8.921 1.00 0.00 C ATOM 0 H MET A 69 -5.827 8.109 4.459 1.00 0.00 H new ATOM 0 HA MET A 69 -3.603 9.805 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.517 7.236 6.041 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.918 7.860 6.394 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.123 10.160 6.716 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.597 9.216 6.800 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.138 7.043 9.971 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.139 7.440 8.554 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.600 6.570 8.342 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.941 6.889 3.348 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.024 6.228 2.420 1.00 0.00 C ATOM 1020 C ALA A 70 -1.805 7.030 1.109 1.00 0.00 C ATOM 1021 O ALA A 70 -0.682 7.077 0.605 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.478 4.775 2.220 1.00 0.00 C ATOM 0 H ALA A 70 -3.771 6.340 3.573 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.025 6.200 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.800 4.274 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.469 4.256 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.488 4.763 1.810 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.813 7.756 0.599 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.674 8.688 -0.529 1.00 0.00 C ATOM 1030 C LEU A 71 -1.776 9.902 -0.236 1.00 0.00 C ATOM 1031 O LEU A 71 -1.135 10.399 -1.164 1.00 0.00 O ATOM 1032 CB LEU A 71 -4.025 9.222 -1.034 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.097 8.214 -1.490 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.154 8.956 -2.299 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.589 7.021 -2.296 1.00 0.00 C ATOM 0 H LEU A 71 -3.763 7.710 0.966 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.200 8.076 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.459 9.828 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.824 9.891 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.499 7.782 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.920 8.254 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.612 9.727 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.688 9.419 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.428 6.379 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.101 7.376 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.875 6.455 -1.698 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.655 10.367 1.023 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.649 11.393 1.403 1.00 0.00 C ATOM 1049 C LYS A 72 0.767 11.013 0.950 1.00 0.00 C ATOM 1050 O LYS A 72 1.605 11.878 0.691 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.567 11.598 2.930 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.892 11.889 3.638 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.780 11.960 5.176 1.00 0.00 C ATOM 1054 CE LYS A 72 -1.011 10.789 5.822 1.00 0.00 C ATOM 1055 NZ LYS A 72 -1.066 10.785 7.308 1.00 0.00 N ATOM 0 H LYS A 72 -2.239 10.052 1.798 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.987 12.303 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.129 10.704 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.118 12.422 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.289 12.835 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.612 11.115 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.288 12.894 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.784 11.994 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.418 9.849 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.031 10.832 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.205 10.341 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.132 11.763 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.899 10.248 7.623 1.00 0.00 H new ATOM 1069 N LYS A 73 1.013 9.700 0.885 1.00 0.00 N ATOM 1070 CA LYS A 73 2.309 9.049 0.658 1.00 0.00 C ATOM 1071 C LYS A 73 2.476 8.525 -0.765 1.00 0.00 C ATOM 1072 O LYS A 73 3.426 7.792 -1.030 1.00 0.00 O ATOM 1073 CB LYS A 73 2.496 7.891 1.662 1.00 0.00 C ATOM 1074 CG LYS A 73 2.160 8.213 3.128 1.00 0.00 C ATOM 1075 CD LYS A 73 3.340 8.195 4.097 1.00 0.00 C ATOM 1076 CE LYS A 73 3.936 6.791 4.225 1.00 0.00 C ATOM 1077 NZ LYS A 73 5.224 6.822 4.954 1.00 0.00 N ATOM 0 H LYS A 73 0.263 9.018 0.997 1.00 0.00 H new ATOM 0 HA LYS A 73 3.074 9.811 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.875 7.054 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.532 7.556 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.696 9.199 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.416 7.497 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.107 8.888 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.014 8.544 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.234 6.141 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.086 6.365 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.454 5.866 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.976 7.154 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.148 7.468 5.766 1.00 0.00 H new ATOM 1091 N ASP A 74 1.566 8.862 -1.679 1.00 0.00 N ATOM 1092 CA ASP A 74 1.379 8.170 -2.957 1.00 0.00 C ATOM 1093 C ASP A 74 2.525 8.210 -3.990 1.00 0.00 C ATOM 1094 O ASP A 74 2.296 7.830 -5.133 1.00 0.00 O ATOM 1095 CB ASP A 74 0.040 8.563 -3.605 1.00 0.00 C ATOM 1096 CG ASP A 74 0.011 9.933 -4.308 1.00 0.00 C ATOM 1097 OD1 ASP A 74 0.831 10.830 -4.008 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.805 10.106 -5.245 1.00 0.00 O ATOM 0 H ASP A 74 0.922 9.642 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 74 1.379 7.123 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.228 7.797 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.731 8.555 -2.834 1.00 0.00 H new ATOM 1103 N ARG A 75 3.739 8.628 -3.623 1.00 0.00 N ATOM 1104 CA ARG A 75 4.983 8.536 -4.398 1.00 0.00 C ATOM 1105 C ARG A 75 6.256 8.572 -3.534 1.00 0.00 C ATOM 1106 O ARG A 75 7.346 8.762 -4.072 1.00 0.00 O ATOM 1107 CB ARG A 75 4.959 9.632 -5.485 1.00 0.00 C ATOM 1108 CG ARG A 75 4.911 8.988 -6.876 1.00 0.00 C ATOM 1109 CD ARG A 75 4.357 9.916 -7.972 1.00 0.00 C ATOM 1110 NE ARG A 75 2.903 9.712 -8.151 1.00 0.00 N ATOM 1111 CZ ARG A 75 1.915 10.175 -7.409 1.00 0.00 C ATOM 1112 NH1 ARG A 75 2.051 11.149 -6.556 1.00 0.00 N ATOM 1113 NH2 ARG A 75 0.746 9.629 -7.511 1.00 0.00 N ATOM 0 H ARG A 75 3.891 9.070 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 75 5.027 7.556 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.092 10.277 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.844 10.263 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.916 8.672 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.296 8.089 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.553 10.955 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.874 9.724 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 75 2.629 9.140 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.959 11.597 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.249 11.464 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.600 8.854 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.029 9.974 -6.945 1.00 0.00 H new ATOM 1127 N GLU A 76 6.143 8.381 -2.213 1.00 0.00 N ATOM 1128 CA GLU A 76 7.306 8.150 -1.341 1.00 0.00 C ATOM 1129 C GLU A 76 7.697 6.655 -1.273 1.00 0.00 C ATOM 1130 O GLU A 76 7.331 5.880 -2.153 1.00 0.00 O ATOM 1131 CB GLU A 76 7.199 8.898 -0.001 1.00 0.00 C ATOM 1132 CG GLU A 76 6.022 8.612 0.922 1.00 0.00 C ATOM 1133 CD GLU A 76 6.355 9.092 2.344 1.00 0.00 C ATOM 1134 OE1 GLU A 76 6.189 10.299 2.638 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.782 8.257 3.179 1.00 0.00 O ATOM 0 H GLU A 76 5.250 8.382 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 76 8.177 8.614 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.111 8.696 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.190 9.965 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.128 9.118 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.803 7.544 0.929 1.00 0.00 H new ATOM 1142 N SER A 77 8.516 6.251 -0.302 1.00 0.00 N ATOM 1143 CA SER A 77 9.275 4.990 -0.265 1.00 0.00 C ATOM 1144 C SER A 77 9.332 4.348 1.130 1.00 0.00 C ATOM 1145 O SER A 77 9.248 5.027 2.157 1.00 0.00 O ATOM 1146 CB SER A 77 10.704 5.255 -0.771 1.00 0.00 C ATOM 1147 OG SER A 77 11.341 6.277 -0.018 1.00 0.00 O ATOM 0 H SER A 77 8.680 6.822 0.527 1.00 0.00 H new ATOM 0 HA SER A 77 8.753 4.281 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.289 4.337 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.672 5.542 -1.822 1.00 0.00 H new ATOM 0 HG SER A 77 12.247 6.421 -0.362 1.00 0.00 H new ATOM 1194 N ARG A 81 12.977 1.643 -1.696 1.00 0.00 N ATOM 1195 CA ARG A 81 12.122 1.419 -2.878 1.00 0.00 C ATOM 1196 C ARG A 81 10.775 2.108 -2.719 1.00 0.00 C ATOM 1197 O ARG A 81 10.279 2.323 -1.613 1.00 0.00 O ATOM 1198 CB ARG A 81 11.925 -0.089 -3.098 1.00 0.00 C ATOM 1199 CG ARG A 81 12.941 -0.751 -4.037 1.00 0.00 C ATOM 1200 CD ARG A 81 12.774 -0.273 -5.488 1.00 0.00 C ATOM 1201 NE ARG A 81 13.346 -1.244 -6.439 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.690 -2.154 -7.142 1.00 0.00 C ATOM 1203 NH1 ARG A 81 11.395 -2.268 -7.125 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.333 -3.001 -7.889 1.00 0.00 N ATOM 0 HA ARG A 81 12.618 1.849 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.969 -0.590 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.924 -0.254 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.951 -0.527 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.823 -1.834 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.716 -0.127 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.262 0.694 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 81 14.357 -1.211 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.835 -1.638 -6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.939 -2.987 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.351 -2.968 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.819 -3.699 -8.427 1.00 0.00 H new ATOM 1218 N TYR A 82 10.201 2.466 -3.855 1.00 0.00 N ATOM 1219 CA TYR A 82 9.115 3.441 -3.939 1.00 0.00 C ATOM 1220 C TYR A 82 7.741 2.775 -3.964 1.00 0.00 C ATOM 1221 O TYR A 82 7.566 1.661 -4.449 1.00 0.00 O ATOM 1222 CB TYR A 82 9.349 4.374 -5.134 1.00 0.00 C ATOM 1223 CG TYR A 82 10.449 5.383 -4.852 1.00 0.00 C ATOM 1224 CD1 TYR A 82 11.801 5.053 -5.072 1.00 0.00 C ATOM 1225 CD2 TYR A 82 10.116 6.629 -4.288 1.00 0.00 C ATOM 1226 CE1 TYR A 82 12.818 5.962 -4.719 1.00 0.00 C ATOM 1227 CE2 TYR A 82 11.128 7.544 -3.939 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.484 7.212 -4.148 1.00 0.00 C ATOM 1229 OH TYR A 82 13.458 8.093 -3.792 1.00 0.00 O ATOM 0 H TYR A 82 10.477 2.085 -4.760 1.00 0.00 H new ATOM 0 HA TYR A 82 9.120 4.048 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.613 3.783 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.424 4.900 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.058 4.101 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.080 6.884 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.854 5.704 -4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.866 8.501 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 82 13.048 8.900 -3.417 1.00 0.00 H new ATOM 1239 N ILE A 83 6.748 3.465 -3.419 1.00 0.00 N ATOM 1240 CA ILE A 83 5.412 2.918 -3.207 1.00 0.00 C ATOM 1241 C ILE A 83 4.389 3.922 -3.742 1.00 0.00 C ATOM 1242 O ILE A 83 3.880 4.764 -3.000 1.00 0.00 O ATOM 1243 CB ILE A 83 5.197 2.586 -1.711 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.364 1.865 -0.995 1.00 0.00 C ATOM 1245 CG2 ILE A 83 3.902 1.776 -1.570 1.00 0.00 C ATOM 1246 CD1 ILE A 83 6.652 0.441 -1.473 1.00 0.00 C ATOM 0 H ILE A 83 6.847 4.431 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 83 5.288 1.980 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 83 5.137 3.548 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.268 2.461 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.148 1.834 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.737 1.534 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.063 2.363 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.985 0.854 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.487 0.029 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.769 -0.179 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.906 0.457 -2.533 1.00 0.00 H new ATOM 1258 N GLU A 84 4.099 3.884 -5.049 1.00 0.00 N ATOM 1259 CA GLU A 84 2.989 4.700 -5.551 1.00 0.00 C ATOM 1260 C GLU A 84 1.651 4.111 -5.084 1.00 0.00 C ATOM 1261 O GLU A 84 1.291 3.004 -5.485 1.00 0.00 O ATOM 1262 CB GLU A 84 3.040 4.869 -7.069 1.00 0.00 C ATOM 1263 CG GLU A 84 1.820 5.649 -7.572 1.00 0.00 C ATOM 1264 CD GLU A 84 2.040 6.416 -8.890 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.913 6.029 -9.701 1.00 0.00 O ATOM 1266 OE2 GLU A 84 1.355 7.444 -9.108 1.00 0.00 O ATOM 0 H GLU A 84 4.590 3.326 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 84 3.087 5.702 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.953 5.393 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.074 3.890 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.992 4.953 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.517 6.358 -6.802 1.00 0.00 H new ATOM 1273 N VAL A 85 0.934 4.845 -4.228 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.326 4.386 -3.605 1.00 0.00 C ATOM 1275 C VAL A 85 -1.504 4.864 -4.455 1.00 0.00 C ATOM 1276 O VAL A 85 -1.923 6.018 -4.363 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.518 4.860 -2.147 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.715 4.111 -1.543 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.722 4.562 -1.298 1.00 0.00 C ATOM 0 H VAL A 85 1.209 5.784 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.276 3.298 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.686 5.937 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.864 4.434 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.611 4.328 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.520 3.039 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.556 4.907 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.909 3.488 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.584 5.078 -1.720 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.057 3.995 -5.292 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.335 4.241 -5.942 1.00 0.00 C ATOM 1291 C PHE A 86 -4.432 3.808 -4.998 1.00 0.00 C ATOM 1292 O PHE A 86 -4.299 2.847 -4.250 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.373 3.397 -7.213 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.535 3.893 -8.377 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.181 3.517 -8.469 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -3.104 4.705 -9.376 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.391 3.961 -9.544 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -2.315 5.148 -10.454 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.958 4.780 -10.537 1.00 0.00 C ATOM 0 H PHE A 86 -1.632 3.101 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.468 5.294 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.047 2.388 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.409 3.324 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.747 2.884 -7.709 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.145 4.988 -9.315 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.648 3.674 -9.607 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.751 5.772 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.353 5.126 -11.362 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.554 4.496 -5.085 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.808 4.036 -4.513 1.00 0.00 C ATOM 1311 C LYS A 87 -7.396 2.977 -5.445 1.00 0.00 C ATOM 1312 O LYS A 87 -7.263 3.082 -6.667 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.724 5.243 -4.366 1.00 0.00 C ATOM 1314 CG LYS A 87 -8.792 4.941 -3.308 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.924 5.974 -3.324 1.00 0.00 C ATOM 1316 CE LYS A 87 -11.043 5.530 -4.270 1.00 0.00 C ATOM 1317 NZ LYS A 87 -11.843 4.416 -3.694 1.00 0.00 N ATOM 0 H LYS A 87 -5.623 5.397 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.674 3.585 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.146 6.120 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.196 5.474 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.205 3.948 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.330 4.925 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.321 6.103 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.536 6.942 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.697 6.376 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.612 5.215 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.309 3.890 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.216 3.775 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.564 4.802 -3.052 1.00 0.00 H new ATOM 1331 N SER A 88 -8.021 1.957 -4.875 1.00 0.00 N ATOM 1332 CA SER A 88 -8.402 0.746 -5.582 1.00 0.00 C ATOM 1333 C SER A 88 -9.685 0.169 -4.979 1.00 0.00 C ATOM 1334 O SER A 88 -10.208 0.686 -3.985 1.00 0.00 O ATOM 1335 CB SER A 88 -7.216 -0.235 -5.556 1.00 0.00 C ATOM 1336 OG SER A 88 -6.755 -0.466 -6.866 1.00 0.00 O ATOM 0 H SER A 88 -8.282 1.949 -3.889 1.00 0.00 H new ATOM 0 HA SER A 88 -8.628 0.957 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.410 0.171 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.521 -1.176 -5.098 1.00 0.00 H new ATOM 0 HG SER A 88 -7.513 -0.689 -7.445 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.201 -0.905 -5.566 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.464 -1.530 -5.185 1.00 0.00 C ATOM 1344 C HIS A 89 -11.374 -3.050 -5.383 1.00 0.00 C ATOM 1345 O HIS A 89 -10.553 -3.524 -6.169 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.598 -0.977 -6.074 1.00 0.00 C ATOM 1347 CG HIS A 89 -12.571 0.519 -6.278 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -11.934 1.161 -7.313 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -13.071 1.486 -5.450 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -12.037 2.484 -7.120 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -12.729 2.737 -5.991 1.00 0.00 N ATOM 0 H HIS A 89 -9.740 -1.379 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.669 -1.309 -4.137 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.547 -1.463 -7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.555 -1.252 -5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -11.463 0.708 -8.096 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.630 1.318 -4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.625 3.238 -7.774 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.256 -3.838 -4.756 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.341 -5.307 -4.928 1.00 0.00 C ATOM 1361 C ARG A 90 -12.976 -5.717 -6.277 1.00 0.00 C ATOM 1362 O ARG A 90 -13.880 -6.552 -6.336 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.050 -5.925 -3.709 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.303 -5.661 -2.385 1.00 0.00 C ATOM 1365 CD ARG A 90 -13.081 -6.192 -1.178 1.00 0.00 C ATOM 1366 NE ARG A 90 -14.361 -5.483 -1.028 1.00 0.00 N ATOM 1367 CZ ARG A 90 -14.931 -4.996 0.053 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -14.372 -4.944 1.226 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -16.125 -4.514 -0.080 1.00 0.00 N ATOM 0 H ARG A 90 -12.947 -3.473 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.330 -5.711 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.060 -5.520 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.147 -7.000 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.321 -6.133 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.137 -4.590 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.264 -7.260 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.485 -6.071 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.886 -5.349 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.424 -5.297 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.882 -4.550 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.580 -4.524 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.611 -4.124 0.728 1.00 0.00 H new ATOM 1383 N THR A 91 -12.516 -5.107 -7.373 1.00 0.00 N ATOM 1384 CA THR A 91 -12.932 -5.371 -8.763 1.00 0.00 C ATOM 1385 C THR A 91 -11.756 -5.221 -9.728 1.00 0.00 C ATOM 1386 O THR A 91 -11.401 -6.197 -10.388 1.00 0.00 O ATOM 1387 CB THR A 91 -14.075 -4.441 -9.209 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.161 -4.497 -8.305 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.612 -4.809 -10.595 1.00 0.00 C ATOM 0 H THR A 91 -11.806 -4.377 -7.317 1.00 0.00 H new ATOM 0 HA THR A 91 -13.293 -6.399 -8.788 1.00 0.00 H new ATOM 0 HB THR A 91 -13.648 -3.438 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.872 -3.896 -8.611 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.417 -4.126 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.809 -4.734 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.993 -5.830 -10.578 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.084 -4.060 -9.791 1.00 0.00 N ATOM 1398 CA GLU A 92 -9.852 -3.968 -10.597 1.00 0.00 C ATOM 1399 C GLU A 92 -8.650 -4.612 -9.877 1.00 0.00 C ATOM 1400 O GLU A 92 -7.823 -5.250 -10.528 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.601 -2.553 -11.153 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.766 -1.582 -10.311 1.00 0.00 C ATOM 1403 CD GLU A 92 -9.432 -1.234 -8.980 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -10.503 -0.584 -8.978 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -8.866 -1.606 -7.929 1.00 0.00 O ATOM 0 H GLU A 92 -11.357 -3.201 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.999 -4.570 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.113 -2.658 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.571 -2.089 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.788 -2.022 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.598 -0.667 -10.879 1.00 0.00 H new ATOM 1412 N MET A 93 -8.621 -4.580 -8.537 1.00 0.00 N ATOM 1413 CA MET A 93 -7.726 -5.411 -7.720 1.00 0.00 C ATOM 1414 C MET A 93 -7.947 -6.915 -7.955 1.00 0.00 C ATOM 1415 O MET A 93 -7.010 -7.695 -8.108 1.00 0.00 O ATOM 1416 CB MET A 93 -7.958 -5.115 -6.237 1.00 0.00 C ATOM 1417 CG MET A 93 -6.926 -5.849 -5.383 1.00 0.00 C ATOM 1418 SD MET A 93 -7.526 -7.352 -4.569 1.00 0.00 S ATOM 1419 CE MET A 93 -8.537 -6.573 -3.285 1.00 0.00 C ATOM 0 H MET A 93 -9.224 -3.970 -7.985 1.00 0.00 H new ATOM 0 HA MET A 93 -6.706 -5.164 -8.014 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.891 -4.042 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.963 -5.424 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.077 -6.111 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.557 -5.164 -4.619 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.898 -7.335 -2.594 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.936 -5.845 -2.740 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.387 -6.070 -3.746 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.213 -7.322 -7.996 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.620 -8.725 -8.125 1.00 0.00 C ATOM 1431 C ASP A 94 -9.095 -9.354 -9.422 1.00 0.00 C ATOM 1432 O ASP A 94 -8.643 -10.501 -9.436 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.150 -8.789 -8.068 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.677 -10.218 -8.234 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.490 -11.053 -7.320 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -12.214 -10.540 -9.320 1.00 0.00 O ATOM 0 H ASP A 94 -10.001 -6.677 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.189 -9.300 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.493 -8.386 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.568 -8.156 -8.851 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.105 -8.573 -10.501 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.491 -8.899 -11.786 1.00 0.00 C ATOM 1443 C TRP A 95 -6.993 -9.168 -11.613 1.00 0.00 C ATOM 1444 O TRP A 95 -6.509 -10.241 -11.985 1.00 0.00 O ATOM 1445 CB TRP A 95 -8.807 -7.762 -12.786 1.00 0.00 C ATOM 1446 CG TRP A 95 -7.729 -7.254 -13.704 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -7.384 -5.952 -13.833 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -6.894 -7.975 -14.670 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -6.408 -5.814 -14.799 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -6.086 -7.026 -15.367 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -6.736 -9.330 -15.032 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -5.199 -7.396 -16.390 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -5.866 -9.713 -16.072 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.101 -8.749 -16.754 1.00 0.00 C ATOM 0 H TRP A 95 -9.559 -7.660 -10.503 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.907 -9.820 -12.193 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -9.634 -8.099 -13.411 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.170 -6.912 -12.208 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -7.810 -5.139 -13.263 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.979 -4.926 -15.059 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.293 -10.088 -14.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.600 -6.650 -16.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.786 -10.754 -16.348 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.441 -9.048 -17.555 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.249 -8.236 -11.009 1.00 0.00 N ATOM 1466 CA VAL A 96 -4.787 -8.297 -11.061 1.00 0.00 C ATOM 1467 C VAL A 96 -4.171 -9.400 -10.186 1.00 0.00 C ATOM 1468 O VAL A 96 -3.115 -9.927 -10.529 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.143 -6.939 -10.738 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -4.503 -5.863 -11.761 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.521 -6.405 -9.375 1.00 0.00 C ATOM 0 H VAL A 96 -6.627 -7.445 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.560 -8.560 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.073 -7.145 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.023 -4.924 -11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.160 -6.171 -12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.584 -5.726 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.032 -5.445 -9.212 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.602 -6.275 -9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.202 -7.109 -8.607 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.830 -9.816 -9.098 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.422 -10.969 -8.282 1.00 0.00 C ATOM 1483 C LEU A 97 -4.651 -12.338 -8.968 1.00 0.00 C ATOM 1484 O LEU A 97 -4.182 -13.354 -8.452 1.00 0.00 O ATOM 1485 CB LEU A 97 -5.143 -10.905 -6.922 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.441 -10.043 -5.852 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.343 -8.567 -6.178 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -5.237 -10.187 -4.553 1.00 0.00 C ATOM 0 H LEU A 97 -5.673 -9.356 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.343 -10.898 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.149 -10.515 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.251 -11.919 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.415 -10.405 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.834 -8.048 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.780 -8.435 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.344 -8.154 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.769 -9.589 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.258 -9.841 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.252 -11.234 -4.250 1.00 0.00 H new