USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 13 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -118:sc= -0.733 (180deg=-1.1) USER MOD Single : A 16 THR OG1 : rot -103:sc= -4.02! USER MOD Single : A 21 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.4!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.02! C(o=-11!,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.179) USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.51 USER MOD Single : A 26 LYS NZ :NH3+ 163:sc=-0.000224 (180deg=-0.155) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 140:sc= -0.435 (180deg=-2.2!) USER MOD Single : A 37 SER OG : rot -108:sc= 0.321 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -56:sc= 0.411 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.8 F(o=-3.5!,f=-1.8) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 127:sc= 1.03 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc=-0.00346 (180deg=-0.00346) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.345 -1.089 9.485 1.00 0.00 N ATOM 105 CA CYS A 8 10.376 -1.077 8.353 1.00 0.00 C ATOM 106 C CYS A 8 10.142 -2.503 7.844 1.00 0.00 C ATOM 107 O CYS A 8 9.093 -2.814 7.318 1.00 0.00 O ATOM 108 CB CYS A 8 10.930 -0.212 7.219 1.00 0.00 C ATOM 109 SG CYS A 8 9.757 -0.202 5.839 1.00 0.00 S ATOM 0 HA CYS A 8 9.428 -0.665 8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.100 0.805 7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.893 -0.600 6.889 1.00 0.00 H new ATOM 114 N GLU A 9 11.106 -3.377 7.987 1.00 0.00 N ATOM 115 CA GLU A 9 10.907 -4.785 7.496 1.00 0.00 C ATOM 116 C GLU A 9 10.227 -5.627 8.581 1.00 0.00 C ATOM 117 O GLU A 9 9.603 -6.631 8.299 1.00 0.00 O ATOM 118 CB GLU A 9 12.251 -5.437 7.084 1.00 0.00 C ATOM 119 CG GLU A 9 13.214 -5.616 8.294 1.00 0.00 C ATOM 120 CD GLU A 9 13.963 -6.951 8.180 1.00 0.00 C ATOM 121 OE1 GLU A 9 13.319 -7.981 8.284 1.00 0.00 O ATOM 122 OE2 GLU A 9 15.168 -6.917 7.990 1.00 0.00 O ATOM 0 H GLU A 9 12.012 -3.186 8.415 1.00 0.00 H new ATOM 0 HA GLU A 9 10.269 -4.746 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.057 -6.409 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.734 -4.821 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.927 -4.792 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.649 -5.586 9.226 1.00 0.00 H new ATOM 129 N PHE A 10 10.345 -5.229 9.817 1.00 0.00 N ATOM 130 CA PHE A 10 9.710 -6.012 10.915 1.00 0.00 C ATOM 131 C PHE A 10 8.210 -5.707 10.973 1.00 0.00 C ATOM 132 O PHE A 10 7.402 -6.578 11.224 1.00 0.00 O ATOM 133 CB PHE A 10 10.355 -5.635 12.249 1.00 0.00 C ATOM 134 CG PHE A 10 9.711 -6.429 13.361 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.149 -7.729 13.636 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.674 -5.865 14.115 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.552 -8.466 14.666 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.078 -6.601 15.145 1.00 0.00 C ATOM 139 CZ PHE A 10 8.517 -7.902 15.420 1.00 0.00 C ATOM 0 H PHE A 10 10.853 -4.396 10.115 1.00 0.00 H new ATOM 0 HA PHE A 10 9.854 -7.076 10.725 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.426 -5.836 12.217 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.236 -4.567 12.434 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.948 -8.164 13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.335 -4.862 13.901 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.890 -9.469 14.878 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.280 -6.166 15.728 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.056 -8.470 16.215 1.00 0.00 H new ATOM 149 N LEU A 11 7.830 -4.478 10.750 1.00 0.00 N ATOM 150 CA LEU A 11 6.382 -4.125 10.802 1.00 0.00 C ATOM 151 C LEU A 11 5.709 -4.478 9.475 1.00 0.00 C ATOM 152 O LEU A 11 4.625 -5.025 9.446 1.00 0.00 O ATOM 153 CB LEU A 11 6.233 -2.622 11.054 1.00 0.00 C ATOM 154 CG LEU A 11 6.851 -2.252 12.409 1.00 0.00 C ATOM 155 CD1 LEU A 11 6.968 -0.728 12.506 1.00 0.00 C ATOM 156 CD2 LEU A 11 5.972 -2.775 13.560 1.00 0.00 C ATOM 0 H LEU A 11 8.458 -3.704 10.534 1.00 0.00 H new ATOM 0 HA LEU A 11 5.909 -4.686 11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.722 -2.061 10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.179 -2.345 11.038 1.00 0.00 H new ATOM 0 HG LEU A 11 7.838 -2.708 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.406 -0.457 13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.603 -0.360 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.978 -0.281 12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.424 -2.505 14.514 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.979 -2.331 13.490 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.890 -3.860 13.492 1.00 0.00 H new ATOM 168 N VAL A 12 6.332 -4.160 8.375 1.00 0.00 N ATOM 169 CA VAL A 12 5.710 -4.469 7.058 1.00 0.00 C ATOM 170 C VAL A 12 5.609 -5.985 6.866 1.00 0.00 C ATOM 171 O VAL A 12 4.772 -6.458 6.130 1.00 0.00 O ATOM 172 CB VAL A 12 6.552 -3.864 5.936 1.00 0.00 C ATOM 173 CG1 VAL A 12 5.891 -4.156 4.587 1.00 0.00 C ATOM 174 CG2 VAL A 12 6.645 -2.347 6.137 1.00 0.00 C ATOM 0 H VAL A 12 7.242 -3.701 8.331 1.00 0.00 H new ATOM 0 HA VAL A 12 4.708 -4.040 7.031 1.00 0.00 H new ATOM 0 HB VAL A 12 7.551 -4.300 5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.492 -3.724 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.817 -5.234 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.893 -3.718 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.245 -1.910 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.644 -1.915 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.112 -2.135 7.099 1.00 0.00 H new ATOM 184 N LYS A 13 6.451 -6.747 7.521 1.00 0.00 N ATOM 185 CA LYS A 13 6.401 -8.235 7.375 1.00 0.00 C ATOM 186 C LYS A 13 5.351 -8.814 8.333 1.00 0.00 C ATOM 187 O LYS A 13 4.648 -9.748 8.004 1.00 0.00 O ATOM 188 CB LYS A 13 7.782 -8.809 7.701 1.00 0.00 C ATOM 189 CG LYS A 13 7.777 -10.365 7.603 1.00 0.00 C ATOM 190 CD LYS A 13 8.191 -10.996 8.943 1.00 0.00 C ATOM 191 CE LYS A 13 7.045 -10.874 9.951 1.00 0.00 C ATOM 192 NZ LYS A 13 7.370 -11.674 11.166 1.00 0.00 N ATOM 0 H LYS A 13 7.173 -6.401 8.153 1.00 0.00 H new ATOM 0 HA LYS A 13 6.126 -8.500 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.522 -8.400 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.078 -8.505 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.783 -10.713 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.460 -10.687 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.449 -12.045 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.081 -10.500 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.892 -9.829 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.115 -11.228 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.572 -11.635 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.546 -12.662 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.220 -11.284 11.621 1.00 0.00 H new ATOM 206 N GLU A 14 5.235 -8.267 9.514 1.00 0.00 N ATOM 207 CA GLU A 14 4.221 -8.788 10.480 1.00 0.00 C ATOM 208 C GLU A 14 2.828 -8.373 10.000 1.00 0.00 C ATOM 209 O GLU A 14 1.933 -9.179 9.841 1.00 0.00 O ATOM 210 CB GLU A 14 4.484 -8.197 11.867 1.00 0.00 C ATOM 211 CG GLU A 14 3.542 -8.841 12.885 1.00 0.00 C ATOM 212 CD GLU A 14 3.864 -8.314 14.285 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.664 -7.132 14.511 1.00 0.00 O ATOM 214 OE2 GLU A 14 4.306 -9.101 15.105 1.00 0.00 O ATOM 0 H GLU A 14 5.796 -7.485 9.852 1.00 0.00 H new ATOM 0 HA GLU A 14 4.285 -9.875 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.521 -8.369 12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.333 -7.118 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.506 -8.617 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.649 -9.925 12.860 1.00 0.00 H new ATOM 221 N VAL A 15 2.638 -7.117 9.742 1.00 0.00 N ATOM 222 CA VAL A 15 1.314 -6.665 9.246 1.00 0.00 C ATOM 223 C VAL A 15 0.924 -7.554 8.068 1.00 0.00 C ATOM 224 O VAL A 15 -0.198 -7.989 7.959 1.00 0.00 O ATOM 225 CB VAL A 15 1.398 -5.195 8.816 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.198 -5.069 7.518 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.014 -4.646 8.604 1.00 0.00 C ATOM 0 H VAL A 15 3.338 -6.384 9.852 1.00 0.00 H new ATOM 0 HA VAL A 15 0.560 -6.743 10.029 1.00 0.00 H new ATOM 0 HB VAL A 15 1.900 -4.624 9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.250 -4.021 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.206 -5.453 7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.708 -5.643 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.044 -3.601 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.516 -5.224 7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.577 -4.721 9.534 1.00 0.00 H new ATOM 237 N THR A 16 1.860 -7.848 7.207 1.00 0.00 N ATOM 238 CA THR A 16 1.562 -8.732 6.047 1.00 0.00 C ATOM 239 C THR A 16 0.930 -10.034 6.555 1.00 0.00 C ATOM 240 O THR A 16 -0.058 -10.495 6.032 1.00 0.00 O ATOM 241 CB THR A 16 2.875 -9.039 5.304 1.00 0.00 C ATOM 242 OG1 THR A 16 3.944 -8.571 6.088 1.00 0.00 O ATOM 243 CG2 THR A 16 2.890 -8.337 3.945 1.00 0.00 C ATOM 0 H THR A 16 2.822 -7.512 7.258 1.00 0.00 H new ATOM 0 HA THR A 16 0.867 -8.240 5.367 1.00 0.00 H new ATOM 0 HB THR A 16 2.965 -10.113 5.140 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.278 -7.728 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.824 -8.562 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.050 -8.688 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.807 -7.260 4.091 1.00 0.00 H new ATOM 251 N LYS A 17 1.503 -10.638 7.565 1.00 0.00 N ATOM 252 CA LYS A 17 0.929 -11.915 8.086 1.00 0.00 C ATOM 253 C LYS A 17 -0.586 -11.752 8.253 1.00 0.00 C ATOM 254 O LYS A 17 -1.349 -12.655 7.975 1.00 0.00 O ATOM 255 CB LYS A 17 1.579 -12.273 9.436 1.00 0.00 C ATOM 256 CG LYS A 17 2.896 -13.022 9.200 1.00 0.00 C ATOM 257 CD LYS A 17 3.508 -13.419 10.547 1.00 0.00 C ATOM 258 CE LYS A 17 4.579 -14.490 10.329 1.00 0.00 C ATOM 259 NZ LYS A 17 5.593 -13.989 9.359 1.00 0.00 N ATOM 0 H LYS A 17 2.337 -10.305 8.048 1.00 0.00 H new ATOM 0 HA LYS A 17 1.131 -12.722 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.765 -11.366 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.900 -12.890 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.718 -13.910 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.591 -12.391 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.946 -12.546 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.732 -13.797 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.058 -14.738 11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.122 -15.405 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.598 -14.598 8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.356 -13.015 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.534 -14.004 9.802 1.00 0.00 H new ATOM 273 N LEU A 18 -1.033 -10.600 8.692 1.00 0.00 N ATOM 274 CA LEU A 18 -2.506 -10.384 8.854 1.00 0.00 C ATOM 275 C LEU A 18 -3.075 -9.804 7.543 1.00 0.00 C ATOM 276 O LEU A 18 -4.114 -10.215 7.072 1.00 0.00 O ATOM 277 CB LEU A 18 -2.733 -9.461 10.086 1.00 0.00 C ATOM 278 CG LEU A 18 -3.173 -8.040 9.690 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.631 -8.056 9.160 1.00 0.00 C ATOM 280 CD2 LEU A 18 -3.062 -7.136 10.925 1.00 0.00 C ATOM 0 H LEU A 18 -0.446 -9.805 8.944 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.036 -11.317 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.490 -9.905 10.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.812 -9.403 10.666 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.531 -7.660 8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.929 -7.045 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.693 -8.704 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.297 -8.431 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.370 -6.124 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.707 -7.519 11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.030 -7.122 11.274 1.00 0.00 H new ATOM 292 N ILE A 19 -2.394 -8.871 6.948 1.00 0.00 N ATOM 293 CA ILE A 19 -2.869 -8.273 5.670 1.00 0.00 C ATOM 294 C ILE A 19 -2.833 -9.362 4.592 1.00 0.00 C ATOM 295 O ILE A 19 -3.436 -9.235 3.544 1.00 0.00 O ATOM 296 CB ILE A 19 -1.900 -7.113 5.328 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.533 -5.753 5.646 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.466 -7.127 3.856 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.452 -4.657 5.625 1.00 0.00 C ATOM 0 H ILE A 19 -1.514 -8.490 7.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.887 -7.890 5.739 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.017 -7.264 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.310 -5.524 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.013 -5.785 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.788 -6.294 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.958 -8.066 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.344 -7.031 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.907 -3.693 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.690 -4.883 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.992 -4.618 4.637 1.00 0.00 H new ATOM 311 N ASP A 20 -2.102 -10.416 4.841 1.00 0.00 N ATOM 312 CA ASP A 20 -1.982 -11.516 3.844 1.00 0.00 C ATOM 313 C ASP A 20 -3.349 -11.804 3.213 1.00 0.00 C ATOM 314 O ASP A 20 -3.516 -11.715 2.012 1.00 0.00 O ATOM 315 CB ASP A 20 -1.469 -12.778 4.542 1.00 0.00 C ATOM 316 CG ASP A 20 -2.461 -13.202 5.625 1.00 0.00 C ATOM 317 OD1 ASP A 20 -3.055 -12.327 6.233 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.610 -14.395 5.831 1.00 0.00 O ATOM 0 H ASP A 20 -1.577 -10.562 5.704 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.284 -11.216 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.342 -13.581 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.491 -12.590 4.984 1.00 0.00 H new ATOM 323 N ASN A 21 -4.333 -12.139 4.012 1.00 0.00 N ATOM 324 CA ASN A 21 -5.685 -12.422 3.448 1.00 0.00 C ATOM 325 C ASN A 21 -6.760 -12.256 4.521 1.00 0.00 C ATOM 326 O ASN A 21 -7.577 -13.133 4.728 1.00 0.00 O ATOM 327 CB ASN A 21 -5.739 -13.852 2.915 1.00 0.00 C ATOM 328 CG ASN A 21 -4.712 -14.028 1.795 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.568 -14.349 2.049 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.074 -13.830 0.557 1.00 0.00 N ATOM 0 H ASN A 21 -4.257 -12.228 5.025 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.870 -11.716 2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.536 -14.558 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.739 -14.073 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.397 -13.945 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.034 -13.561 0.343 1.00 0.00 H new ATOM 337 N ASN A 22 -6.783 -11.135 5.191 1.00 0.00 N ATOM 338 CA ASN A 22 -7.821 -10.895 6.242 1.00 0.00 C ATOM 339 C ASN A 22 -8.845 -9.913 5.682 1.00 0.00 C ATOM 340 O ASN A 22 -10.021 -10.207 5.591 1.00 0.00 O ATOM 341 CB ASN A 22 -7.155 -10.311 7.485 1.00 0.00 C ATOM 342 CG ASN A 22 -6.217 -11.362 8.081 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.550 -12.150 7.279 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.091 -11.468 9.284 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.124 -10.368 5.056 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.315 -11.827 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.598 -9.411 7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.909 -10.020 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.613 -10.852 9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.464 -12.173 9.671 1.00 0.00 H new ATOM 351 N LYS A 23 -8.397 -8.759 5.274 1.00 0.00 N ATOM 352 CA LYS A 23 -9.324 -7.755 4.676 1.00 0.00 C ATOM 353 C LYS A 23 -9.258 -7.904 3.153 1.00 0.00 C ATOM 354 O LYS A 23 -8.231 -7.705 2.539 1.00 0.00 O ATOM 355 CB LYS A 23 -8.914 -6.341 5.125 1.00 0.00 C ATOM 356 CG LYS A 23 -7.566 -5.920 4.490 1.00 0.00 C ATOM 357 CD LYS A 23 -7.814 -5.081 3.220 1.00 0.00 C ATOM 358 CE LYS A 23 -6.617 -5.198 2.269 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.383 -4.734 2.964 1.00 0.00 N ATOM 0 H LYS A 23 -7.422 -8.465 5.329 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.349 -7.918 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.689 -5.628 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.832 -6.311 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.982 -5.343 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.981 -6.805 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.720 -5.423 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.973 -4.037 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.497 -6.231 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.790 -4.600 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.631 -4.571 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.582 -3.848 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.073 -5.459 3.642 1.00 0.00 H new ATOM 373 N THR A 24 -10.339 -8.292 2.538 1.00 0.00 N ATOM 374 CA THR A 24 -10.319 -8.486 1.060 1.00 0.00 C ATOM 375 C THR A 24 -10.419 -7.133 0.350 1.00 0.00 C ATOM 376 O THR A 24 -10.285 -6.090 0.958 1.00 0.00 O ATOM 377 CB THR A 24 -11.484 -9.388 0.651 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.683 -8.910 1.246 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.209 -10.821 1.123 1.00 0.00 C ATOM 0 H THR A 24 -11.233 -8.483 2.991 1.00 0.00 H new ATOM 0 HA THR A 24 -9.381 -8.959 0.770 1.00 0.00 H new ATOM 0 HB THR A 24 -11.591 -9.379 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.145 -9.651 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.039 -11.465 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.289 -11.185 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.103 -10.833 2.208 1.00 0.00 H new ATOM 387 N GLU A 25 -10.630 -7.145 -0.941 1.00 0.00 N ATOM 388 CA GLU A 25 -10.712 -5.863 -1.705 1.00 0.00 C ATOM 389 C GLU A 25 -12.142 -5.314 -1.690 1.00 0.00 C ATOM 390 O GLU A 25 -12.468 -4.399 -2.420 1.00 0.00 O ATOM 391 CB GLU A 25 -10.270 -6.107 -3.158 1.00 0.00 C ATOM 392 CG GLU A 25 -9.142 -7.150 -3.193 1.00 0.00 C ATOM 393 CD GLU A 25 -9.732 -8.562 -3.117 1.00 0.00 C ATOM 394 OE1 GLU A 25 -10.380 -8.963 -4.069 1.00 0.00 O ATOM 395 OE2 GLU A 25 -9.525 -9.215 -2.108 1.00 0.00 O ATOM 0 H GLU A 25 -10.749 -7.989 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.055 -5.132 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.116 -6.453 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.928 -5.174 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.561 -7.039 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.459 -6.987 -2.360 1.00 0.00 H new ATOM 402 N LYS A 26 -12.997 -5.854 -0.870 1.00 0.00 N ATOM 403 CA LYS A 26 -14.392 -5.352 -0.817 1.00 0.00 C ATOM 404 C LYS A 26 -14.405 -4.137 0.105 1.00 0.00 C ATOM 405 O LYS A 26 -14.974 -3.106 -0.202 1.00 0.00 O ATOM 406 CB LYS A 26 -15.306 -6.456 -0.250 1.00 0.00 C ATOM 407 CG LYS A 26 -15.817 -7.381 -1.374 1.00 0.00 C ATOM 408 CD LYS A 26 -14.703 -8.326 -1.869 1.00 0.00 C ATOM 409 CE LYS A 26 -14.625 -9.576 -0.984 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.759 -10.486 -1.310 1.00 0.00 N ATOM 0 H LYS A 26 -12.788 -6.623 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.751 -5.079 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.759 -7.043 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.152 -6.003 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.660 -7.968 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.183 -6.779 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.897 -8.616 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.745 -7.806 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.676 -10.088 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.662 -9.293 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.559 -11.436 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.632 -10.121 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.878 -10.536 -2.342 1.00 0.00 H new ATOM 424 N GLU A 27 -13.764 -4.255 1.232 1.00 0.00 N ATOM 425 CA GLU A 27 -13.721 -3.118 2.179 1.00 0.00 C ATOM 426 C GLU A 27 -12.815 -2.026 1.613 1.00 0.00 C ATOM 427 O GLU A 27 -12.797 -0.910 2.092 1.00 0.00 O ATOM 428 CB GLU A 27 -13.170 -3.591 3.526 1.00 0.00 C ATOM 429 CG GLU A 27 -14.034 -4.734 4.063 1.00 0.00 C ATOM 430 CD GLU A 27 -13.755 -6.006 3.259 1.00 0.00 C ATOM 431 OE1 GLU A 27 -12.592 -6.334 3.091 1.00 0.00 O ATOM 432 OE2 GLU A 27 -14.710 -6.631 2.827 1.00 0.00 O ATOM 0 H GLU A 27 -13.268 -5.093 1.536 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.727 -2.723 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.139 -3.925 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.160 -2.764 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.818 -4.903 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.089 -4.471 3.992 1.00 0.00 H new ATOM 439 N ILE A 28 -12.054 -2.341 0.597 1.00 0.00 N ATOM 440 CA ILE A 28 -11.142 -1.331 0.002 1.00 0.00 C ATOM 441 C ILE A 28 -11.884 -0.524 -1.070 1.00 0.00 C ATOM 442 O ILE A 28 -12.217 0.624 -0.857 1.00 0.00 O ATOM 443 CB ILE A 28 -9.953 -2.048 -0.630 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.152 -2.806 0.443 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.063 -1.023 -1.322 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.675 -1.861 1.553 1.00 0.00 C ATOM 0 H ILE A 28 -12.028 -3.260 0.155 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.795 -0.651 0.780 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.315 -2.771 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.771 -3.593 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.292 -3.293 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.211 -1.529 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.634 -0.508 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.707 -0.298 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.112 -2.427 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.036 -1.089 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.537 -1.395 2.029 1.00 0.00 H new ATOM 458 N LEU A 29 -12.146 -1.104 -2.226 1.00 0.00 N ATOM 459 CA LEU A 29 -12.865 -0.349 -3.292 1.00 0.00 C ATOM 460 C LEU A 29 -14.043 0.400 -2.665 1.00 0.00 C ATOM 461 O LEU A 29 -14.488 1.413 -3.169 1.00 0.00 O ATOM 462 CB LEU A 29 -13.361 -1.328 -4.377 1.00 0.00 C ATOM 463 CG LEU A 29 -12.280 -1.511 -5.454 1.00 0.00 C ATOM 464 CD1 LEU A 29 -11.080 -2.251 -4.868 1.00 0.00 C ATOM 465 CD2 LEU A 29 -12.849 -2.307 -6.632 1.00 0.00 C ATOM 0 H LEU A 29 -11.891 -2.062 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.192 0.371 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.604 -2.290 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.277 -0.948 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.960 -0.530 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.319 -2.377 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.667 -1.676 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.397 -3.230 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.078 -2.433 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.179 -3.286 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -13.695 -1.769 -7.060 1.00 0.00 H new ATOM 477 N ASP A 30 -14.524 -0.067 -1.547 1.00 0.00 N ATOM 478 CA ASP A 30 -15.636 0.651 -0.875 1.00 0.00 C ATOM 479 C ASP A 30 -15.054 1.923 -0.262 1.00 0.00 C ATOM 480 O ASP A 30 -15.481 3.024 -0.555 1.00 0.00 O ATOM 481 CB ASP A 30 -16.233 -0.228 0.227 1.00 0.00 C ATOM 482 CG ASP A 30 -16.988 -1.399 -0.405 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.575 -1.843 -1.463 1.00 0.00 O ATOM 484 OD2 ASP A 30 -17.968 -1.831 0.181 1.00 0.00 O ATOM 0 H ASP A 30 -14.196 -0.909 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.425 0.891 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.442 -0.601 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.908 0.360 0.850 1.00 0.00 H new ATOM 489 N ALA A 31 -14.053 1.769 0.568 1.00 0.00 N ATOM 490 CA ALA A 31 -13.398 2.951 1.198 1.00 0.00 C ATOM 491 C ALA A 31 -13.180 4.034 0.149 1.00 0.00 C ATOM 492 O ALA A 31 -13.255 5.211 0.434 1.00 0.00 O ATOM 493 CB ALA A 31 -12.063 2.530 1.784 1.00 0.00 C ATOM 0 H ALA A 31 -13.660 0.867 0.837 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.036 3.344 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.580 3.391 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.223 1.757 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.425 2.138 0.992 1.00 0.00 H new ATOM 499 N PHE A 32 -12.930 3.649 -1.068 1.00 0.00 N ATOM 500 CA PHE A 32 -12.736 4.669 -2.127 1.00 0.00 C ATOM 501 C PHE A 32 -14.089 5.334 -2.394 1.00 0.00 C ATOM 502 O PHE A 32 -14.180 6.524 -2.603 1.00 0.00 O ATOM 503 CB PHE A 32 -12.202 3.999 -3.402 1.00 0.00 C ATOM 504 CG PHE A 32 -10.710 3.776 -3.271 1.00 0.00 C ATOM 505 CD1 PHE A 32 -9.817 4.777 -3.673 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.219 2.567 -2.753 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.437 4.574 -3.558 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.836 2.367 -2.640 1.00 0.00 C ATOM 509 CZ PHE A 32 -7.947 3.370 -3.042 1.00 0.00 C ATOM 0 H PHE A 32 -12.852 2.679 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.011 5.419 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.709 3.048 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.412 4.625 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.194 5.707 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.905 1.793 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.750 5.348 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.456 1.438 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.882 3.214 -2.954 1.00 0.00 H new ATOM 519 N ASP A 33 -15.153 4.582 -2.355 1.00 0.00 N ATOM 520 CA ASP A 33 -16.484 5.198 -2.575 1.00 0.00 C ATOM 521 C ASP A 33 -16.808 6.072 -1.366 1.00 0.00 C ATOM 522 O ASP A 33 -17.842 6.705 -1.296 1.00 0.00 O ATOM 523 CB ASP A 33 -17.546 4.109 -2.732 1.00 0.00 C ATOM 524 CG ASP A 33 -18.906 4.755 -3.003 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.071 5.313 -4.075 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.758 4.682 -2.133 1.00 0.00 O ATOM 0 H ASP A 33 -15.156 3.577 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.474 5.800 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.279 3.442 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.594 3.501 -1.829 1.00 0.00 H new ATOM 531 N LYS A 34 -15.909 6.105 -0.413 1.00 0.00 N ATOM 532 CA LYS A 34 -16.110 6.935 0.817 1.00 0.00 C ATOM 533 C LYS A 34 -15.032 8.022 0.867 1.00 0.00 C ATOM 534 O LYS A 34 -15.293 9.196 0.697 1.00 0.00 O ATOM 535 CB LYS A 34 -15.944 6.037 2.059 1.00 0.00 C ATOM 536 CG LYS A 34 -17.210 5.166 2.304 1.00 0.00 C ATOM 537 CD LYS A 34 -16.834 3.680 2.429 1.00 0.00 C ATOM 538 CE LYS A 34 -16.058 3.457 3.730 1.00 0.00 C ATOM 539 NZ LYS A 34 -17.019 3.239 4.848 1.00 0.00 N ATOM 0 H LYS A 34 -15.032 5.585 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.103 7.384 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.076 5.391 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.752 6.657 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.714 5.496 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.914 5.300 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.733 3.064 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.229 3.374 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.398 2.595 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.426 4.319 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.494 3.087 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.631 4.074 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.604 2.403 4.645 1.00 0.00 H new ATOM 553 N MET A 35 -13.820 7.616 1.114 1.00 0.00 N ATOM 554 CA MET A 35 -12.683 8.573 1.201 1.00 0.00 C ATOM 555 C MET A 35 -12.480 9.248 -0.162 1.00 0.00 C ATOM 556 O MET A 35 -12.393 10.456 -0.255 1.00 0.00 O ATOM 557 CB MET A 35 -11.441 7.769 1.668 1.00 0.00 C ATOM 558 CG MET A 35 -10.144 8.154 0.925 1.00 0.00 C ATOM 559 SD MET A 35 -8.844 6.974 1.364 1.00 0.00 S ATOM 560 CE MET A 35 -9.605 5.505 0.619 1.00 0.00 C ATOM 0 H MET A 35 -13.564 6.640 1.263 1.00 0.00 H new ATOM 0 HA MET A 35 -12.871 9.373 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.298 7.925 2.737 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.631 6.705 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.311 8.148 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.841 9.166 1.195 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.836 4.903 0.134 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.092 4.915 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.344 5.813 -0.120 1.00 0.00 H new ATOM 570 N CYS A 36 -12.407 8.483 -1.219 1.00 0.00 N ATOM 571 CA CYS A 36 -12.215 9.098 -2.562 1.00 0.00 C ATOM 572 C CYS A 36 -13.584 9.581 -3.054 1.00 0.00 C ATOM 573 O CYS A 36 -13.803 9.814 -4.225 1.00 0.00 O ATOM 574 CB CYS A 36 -11.603 8.059 -3.517 1.00 0.00 C ATOM 575 SG CYS A 36 -11.583 8.704 -5.208 1.00 0.00 S ATOM 0 H CYS A 36 -12.472 7.465 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.531 9.945 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.589 7.816 -3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.179 7.135 -3.479 1.00 0.00 H new ATOM 580 N SER A 37 -14.505 9.747 -2.137 1.00 0.00 N ATOM 581 CA SER A 37 -15.869 10.230 -2.498 1.00 0.00 C ATOM 582 C SER A 37 -15.903 11.754 -2.368 1.00 0.00 C ATOM 583 O SER A 37 -16.238 12.467 -3.295 1.00 0.00 O ATOM 584 CB SER A 37 -16.890 9.621 -1.533 1.00 0.00 C ATOM 585 OG SER A 37 -17.040 10.472 -0.404 1.00 0.00 O ATOM 0 H SER A 37 -14.366 9.566 -1.143 1.00 0.00 H new ATOM 0 HA SER A 37 -16.110 9.937 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.849 9.492 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.561 8.632 -1.215 1.00 0.00 H new ATOM 0 HG SER A 37 -16.614 10.059 0.376 1.00 0.00 H new ATOM 591 N LYS A 38 -15.553 12.253 -1.214 1.00 0.00 N ATOM 592 CA LYS A 38 -15.551 13.725 -0.985 1.00 0.00 C ATOM 593 C LYS A 38 -14.628 14.407 -1.997 1.00 0.00 C ATOM 594 O LYS A 38 -14.771 15.579 -2.290 1.00 0.00 O ATOM 595 CB LYS A 38 -15.043 14.009 0.432 1.00 0.00 C ATOM 596 CG LYS A 38 -13.680 13.333 0.636 1.00 0.00 C ATOM 597 CD LYS A 38 -13.288 13.398 2.114 1.00 0.00 C ATOM 598 CE LYS A 38 -11.807 13.042 2.264 1.00 0.00 C ATOM 599 NZ LYS A 38 -11.440 13.039 3.709 1.00 0.00 N ATOM 0 H LYS A 38 -15.265 11.695 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.563 14.112 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.954 15.084 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.758 13.638 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.725 12.295 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.923 13.827 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.475 14.397 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.900 12.707 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.611 12.063 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.192 13.762 1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.434 12.797 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.612 13.982 4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.018 12.336 4.212 1.00 0.00 H new ATOM 613 N LEU A 39 -13.673 13.686 -2.518 1.00 0.00 N ATOM 614 CA LEU A 39 -12.715 14.283 -3.502 1.00 0.00 C ATOM 615 C LEU A 39 -13.492 15.163 -4.519 1.00 0.00 C ATOM 616 O LEU A 39 -14.617 14.840 -4.845 1.00 0.00 O ATOM 617 CB LEU A 39 -11.991 13.128 -4.263 1.00 0.00 C ATOM 618 CG LEU A 39 -10.434 13.227 -4.147 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.891 12.056 -3.325 1.00 0.00 C ATOM 620 CD2 LEU A 39 -9.809 13.193 -5.547 1.00 0.00 C ATOM 0 H LEU A 39 -13.511 12.702 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.985 14.900 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.323 12.169 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.277 13.153 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.178 14.164 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.806 12.135 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.326 12.080 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.154 11.117 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.724 13.262 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.076 12.259 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.182 14.033 -6.132 1.00 0.00 H new ATOM 632 N PRO A 40 -12.879 16.227 -5.026 1.00 0.00 N ATOM 633 CA PRO A 40 -13.551 17.072 -6.026 1.00 0.00 C ATOM 634 C PRO A 40 -13.977 16.194 -7.210 1.00 0.00 C ATOM 635 O PRO A 40 -13.205 15.400 -7.708 1.00 0.00 O ATOM 636 CB PRO A 40 -12.495 18.121 -6.445 1.00 0.00 C ATOM 637 CG PRO A 40 -11.248 17.916 -5.541 1.00 0.00 C ATOM 638 CD PRO A 40 -11.512 16.674 -4.663 1.00 0.00 C ATOM 0 HA PRO A 40 -14.449 17.560 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.231 18.000 -7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.890 19.130 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.354 17.774 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.076 18.795 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.778 15.892 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -11.446 16.919 -3.603 1.00 0.00 H new ATOM 646 N LYS A 41 -15.200 16.330 -7.648 1.00 0.00 N ATOM 647 CA LYS A 41 -15.711 15.509 -8.785 1.00 0.00 C ATOM 648 C LYS A 41 -14.634 15.286 -9.848 1.00 0.00 C ATOM 649 O LYS A 41 -14.448 14.191 -10.341 1.00 0.00 O ATOM 650 CB LYS A 41 -16.882 16.244 -9.422 1.00 0.00 C ATOM 651 CG LYS A 41 -17.577 15.335 -10.433 1.00 0.00 C ATOM 652 CD LYS A 41 -18.890 15.994 -10.907 1.00 0.00 C ATOM 653 CE LYS A 41 -19.161 15.621 -12.365 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.477 16.179 -12.788 1.00 0.00 N ATOM 0 H LYS A 41 -15.878 16.986 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.015 14.536 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.589 16.555 -8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.529 17.149 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.921 15.154 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.788 14.366 -9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.719 15.668 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.821 17.077 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.368 16.009 -13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.160 14.537 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.659 15.924 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.230 15.788 -12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.461 17.215 -12.694 1.00 0.00 H new ATOM 668 N SER A 42 -13.944 16.318 -10.215 1.00 0.00 N ATOM 669 CA SER A 42 -12.892 16.183 -11.263 1.00 0.00 C ATOM 670 C SER A 42 -11.890 15.095 -10.878 1.00 0.00 C ATOM 671 O SER A 42 -11.729 14.109 -11.574 1.00 0.00 O ATOM 672 CB SER A 42 -12.150 17.510 -11.401 1.00 0.00 C ATOM 673 OG SER A 42 -13.083 18.545 -11.680 1.00 0.00 O ATOM 0 H SER A 42 -14.059 17.258 -9.836 1.00 0.00 H new ATOM 0 HA SER A 42 -13.368 15.913 -12.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.607 17.733 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.412 17.445 -12.200 1.00 0.00 H new ATOM 0 HG SER A 42 -12.609 19.398 -11.767 1.00 0.00 H new ATOM 679 N LEU A 43 -11.203 15.268 -9.786 1.00 0.00 N ATOM 680 CA LEU A 43 -10.201 14.249 -9.376 1.00 0.00 C ATOM 681 C LEU A 43 -10.904 13.071 -8.705 1.00 0.00 C ATOM 682 O LEU A 43 -10.271 12.109 -8.336 1.00 0.00 O ATOM 683 CB LEU A 43 -9.188 14.869 -8.403 1.00 0.00 C ATOM 684 CG LEU A 43 -8.093 15.610 -9.174 1.00 0.00 C ATOM 685 CD1 LEU A 43 -8.681 16.862 -9.819 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.983 15.997 -8.198 1.00 0.00 C ATOM 0 H LEU A 43 -11.292 16.069 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.674 13.896 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.697 15.558 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.743 14.089 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.686 14.969 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.901 17.389 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.478 16.577 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.084 17.515 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.195 16.526 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.391 16.644 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.570 15.097 -7.741 1.00 0.00 H new ATOM 698 N SER A 44 -12.205 13.113 -8.567 1.00 0.00 N ATOM 699 CA SER A 44 -12.914 11.964 -7.950 1.00 0.00 C ATOM 700 C SER A 44 -13.132 10.962 -9.065 1.00 0.00 C ATOM 701 O SER A 44 -13.270 9.772 -8.851 1.00 0.00 O ATOM 702 CB SER A 44 -14.263 12.407 -7.376 1.00 0.00 C ATOM 703 OG SER A 44 -15.247 12.359 -8.402 1.00 0.00 O ATOM 0 H SER A 44 -12.799 13.891 -8.855 1.00 0.00 H new ATOM 0 HA SER A 44 -12.336 11.539 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.551 11.758 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.187 13.418 -6.976 1.00 0.00 H new ATOM 0 HG SER A 44 -14.955 12.906 -9.161 1.00 0.00 H new ATOM 709 N GLU A 45 -13.137 11.456 -10.274 1.00 0.00 N ATOM 710 CA GLU A 45 -13.320 10.575 -11.443 1.00 0.00 C ATOM 711 C GLU A 45 -11.966 9.974 -11.809 1.00 0.00 C ATOM 712 O GLU A 45 -11.856 8.814 -12.157 1.00 0.00 O ATOM 713 CB GLU A 45 -13.857 11.389 -12.623 1.00 0.00 C ATOM 714 CG GLU A 45 -15.302 11.809 -12.339 1.00 0.00 C ATOM 715 CD GLU A 45 -16.214 10.583 -12.409 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.596 10.215 -13.507 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.516 10.034 -11.362 1.00 0.00 O ATOM 0 H GLU A 45 -13.020 12.445 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.031 9.783 -11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.236 12.270 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.812 10.797 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.371 12.270 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.624 12.556 -13.064 1.00 0.00 H new ATOM 724 N GLU A 46 -10.927 10.762 -11.722 1.00 0.00 N ATOM 725 CA GLU A 46 -9.570 10.248 -12.055 1.00 0.00 C ATOM 726 C GLU A 46 -9.018 9.460 -10.863 1.00 0.00 C ATOM 727 O GLU A 46 -8.086 8.692 -10.992 1.00 0.00 O ATOM 728 CB GLU A 46 -8.641 11.422 -12.367 1.00 0.00 C ATOM 729 CG GLU A 46 -9.205 12.223 -13.543 1.00 0.00 C ATOM 730 CD GLU A 46 -8.283 13.404 -13.846 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.806 14.016 -12.905 1.00 0.00 O ATOM 732 OE2 GLU A 46 -8.069 13.678 -15.016 1.00 0.00 O ATOM 0 H GLU A 46 -10.962 11.740 -11.434 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.631 9.595 -12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.542 12.063 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.643 11.055 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.295 11.584 -14.422 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.206 12.582 -13.305 1.00 0.00 H new ATOM 739 N CYS A 47 -9.592 9.643 -9.705 1.00 0.00 N ATOM 740 CA CYS A 47 -9.107 8.903 -8.504 1.00 0.00 C ATOM 741 C CYS A 47 -9.685 7.486 -8.535 1.00 0.00 C ATOM 742 O CYS A 47 -9.043 6.533 -8.143 1.00 0.00 O ATOM 743 CB CYS A 47 -9.579 9.633 -7.241 1.00 0.00 C ATOM 744 SG CYS A 47 -9.667 8.508 -5.822 1.00 0.00 S ATOM 0 H CYS A 47 -10.376 10.273 -9.538 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.018 8.853 -8.502 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.897 10.453 -7.016 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.560 10.074 -7.419 1.00 0.00 H new ATOM 749 N GLN A 48 -10.891 7.342 -9.018 1.00 0.00 N ATOM 750 CA GLN A 48 -11.504 5.996 -9.092 1.00 0.00 C ATOM 751 C GLN A 48 -10.972 5.333 -10.347 1.00 0.00 C ATOM 752 O GLN A 48 -11.038 4.132 -10.517 1.00 0.00 O ATOM 753 CB GLN A 48 -13.028 6.128 -9.178 1.00 0.00 C ATOM 754 CG GLN A 48 -13.599 6.419 -7.787 1.00 0.00 C ATOM 755 CD GLN A 48 -13.592 5.138 -6.951 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.063 4.053 -7.447 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -14.074 5.123 -5.835 1.00 0.00 N flip ATOM 0 H GLN A 48 -11.474 8.104 -9.364 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.261 5.405 -8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.295 6.930 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.461 5.210 -9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.007 7.190 -7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.615 6.803 -7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.488 5.971 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.065 4.263 -5.287 1.00 0.00 H new ATOM 766 N GLU A 49 -10.428 6.124 -11.227 1.00 0.00 N ATOM 767 CA GLU A 49 -9.874 5.570 -12.470 1.00 0.00 C ATOM 768 C GLU A 49 -8.628 4.753 -12.123 1.00 0.00 C ATOM 769 O GLU A 49 -8.494 3.603 -12.503 1.00 0.00 O ATOM 770 CB GLU A 49 -9.506 6.721 -13.409 1.00 0.00 C ATOM 771 CG GLU A 49 -9.012 6.167 -14.744 1.00 0.00 C ATOM 772 CD GLU A 49 -10.149 5.424 -15.448 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.097 6.077 -15.851 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.053 4.214 -15.571 1.00 0.00 O ATOM 0 H GLU A 49 -10.347 7.136 -11.129 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.604 4.929 -12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.373 7.362 -13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.733 7.340 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.651 6.980 -15.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.171 5.493 -14.580 1.00 0.00 H new ATOM 781 N VAL A 50 -7.717 5.335 -11.390 1.00 0.00 N ATOM 782 CA VAL A 50 -6.491 4.587 -11.013 1.00 0.00 C ATOM 783 C VAL A 50 -6.876 3.377 -10.166 1.00 0.00 C ATOM 784 O VAL A 50 -6.335 2.311 -10.333 1.00 0.00 O ATOM 785 CB VAL A 50 -5.548 5.477 -10.215 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.251 4.706 -9.966 1.00 0.00 C ATOM 787 CG2 VAL A 50 -5.248 6.750 -11.008 1.00 0.00 C ATOM 0 H VAL A 50 -7.771 6.291 -11.039 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.986 4.261 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.007 5.754 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.562 5.328 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.470 3.797 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.796 4.442 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.573 7.385 -10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.780 6.486 -11.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.177 7.287 -11.199 1.00 0.00 H new ATOM 797 N VAL A 51 -7.816 3.529 -9.263 1.00 0.00 N ATOM 798 CA VAL A 51 -8.247 2.370 -8.414 1.00 0.00 C ATOM 799 C VAL A 51 -8.420 1.147 -9.314 1.00 0.00 C ATOM 800 O VAL A 51 -7.812 0.117 -9.096 1.00 0.00 O ATOM 801 CB VAL A 51 -9.576 2.726 -7.730 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.205 1.481 -7.098 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.319 3.769 -6.638 1.00 0.00 C ATOM 0 H VAL A 51 -8.304 4.405 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.502 2.150 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.260 3.126 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.145 1.752 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.394 0.736 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.524 1.067 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.260 4.024 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.627 3.361 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.887 4.665 -7.085 1.00 0.00 H new ATOM 813 N ASP A 52 -9.213 1.258 -10.344 1.00 0.00 N ATOM 814 CA ASP A 52 -9.374 0.105 -11.270 1.00 0.00 C ATOM 815 C ASP A 52 -7.975 -0.358 -11.681 1.00 0.00 C ATOM 816 O ASP A 52 -7.717 -1.532 -11.852 1.00 0.00 O ATOM 817 CB ASP A 52 -10.161 0.540 -12.508 1.00 0.00 C ATOM 818 CG ASP A 52 -11.582 0.931 -12.097 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.717 1.671 -11.136 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.511 0.485 -12.749 1.00 0.00 O ATOM 0 H ASP A 52 -9.752 2.091 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.918 -0.704 -10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.665 1.383 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.191 -0.271 -13.236 1.00 0.00 H new ATOM 825 N THR A 53 -7.060 0.573 -11.812 1.00 0.00 N ATOM 826 CA THR A 53 -5.663 0.209 -12.179 1.00 0.00 C ATOM 827 C THR A 53 -4.898 -0.199 -10.915 1.00 0.00 C ATOM 828 O THR A 53 -3.930 -0.932 -10.975 1.00 0.00 O ATOM 829 CB THR A 53 -4.991 1.384 -12.899 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.713 1.670 -14.088 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.547 1.023 -13.264 1.00 0.00 C ATOM 0 H THR A 53 -7.225 1.571 -11.679 1.00 0.00 H new ATOM 0 HA THR A 53 -5.662 -0.639 -12.864 1.00 0.00 H new ATOM 0 HB THR A 53 -4.986 2.253 -12.241 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.291 2.422 -14.554 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.080 1.865 -13.775 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.989 0.794 -12.356 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.544 0.153 -13.921 1.00 0.00 H new ATOM 839 N TYR A 54 -5.335 0.263 -9.768 1.00 0.00 N ATOM 840 CA TYR A 54 -4.659 -0.092 -8.480 1.00 0.00 C ATOM 841 C TYR A 54 -5.720 -0.563 -7.488 1.00 0.00 C ATOM 842 O TYR A 54 -6.082 0.153 -6.576 1.00 0.00 O ATOM 843 CB TYR A 54 -3.966 1.130 -7.883 1.00 0.00 C ATOM 844 CG TYR A 54 -2.748 1.482 -8.696 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.914 1.964 -9.985 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.468 1.353 -8.154 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.810 2.325 -10.753 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.351 1.717 -8.914 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.521 2.207 -10.218 1.00 0.00 C ATOM 850 OH TYR A 54 0.578 2.566 -10.973 1.00 0.00 O ATOM 0 H TYR A 54 -6.142 0.879 -9.669 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.920 -0.870 -8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.655 1.974 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.678 0.927 -6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.908 2.060 -10.397 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.340 0.973 -7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.947 2.695 -11.758 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.641 1.621 -8.498 1.00 0.00 H new ATOM 0 HH TYR A 54 1.395 2.423 -10.451 1.00 0.00 H new ATOM 860 N GLY A 55 -6.230 -1.750 -7.661 1.00 0.00 N ATOM 861 CA GLY A 55 -7.278 -2.267 -6.727 1.00 0.00 C ATOM 862 C GLY A 55 -7.034 -3.745 -6.430 1.00 0.00 C ATOM 863 O GLY A 55 -6.729 -4.117 -5.324 1.00 0.00 O ATOM 0 H GLY A 55 -5.967 -2.390 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.264 -1.695 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.266 -2.135 -7.168 1.00 0.00 H new ATOM 867 N SER A 56 -7.183 -4.596 -7.398 1.00 0.00 N ATOM 868 CA SER A 56 -6.966 -6.049 -7.139 1.00 0.00 C ATOM 869 C SER A 56 -5.464 -6.361 -7.102 1.00 0.00 C ATOM 870 O SER A 56 -5.047 -7.384 -6.596 1.00 0.00 O ATOM 871 CB SER A 56 -7.632 -6.859 -8.251 1.00 0.00 C ATOM 872 OG SER A 56 -7.423 -6.204 -9.496 1.00 0.00 O ATOM 0 H SER A 56 -7.444 -4.356 -8.354 1.00 0.00 H new ATOM 0 HA SER A 56 -7.403 -6.313 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.217 -7.866 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.699 -6.960 -8.054 1.00 0.00 H new ATOM 0 HG SER A 56 -7.847 -6.721 -10.213 1.00 0.00 H new ATOM 878 N SER A 57 -4.651 -5.488 -7.628 1.00 0.00 N ATOM 879 CA SER A 57 -3.175 -5.730 -7.620 1.00 0.00 C ATOM 880 C SER A 57 -2.581 -5.098 -6.370 1.00 0.00 C ATOM 881 O SER A 57 -2.202 -5.786 -5.452 1.00 0.00 O ATOM 882 CB SER A 57 -2.526 -5.101 -8.856 1.00 0.00 C ATOM 883 OG SER A 57 -2.929 -5.818 -10.015 1.00 0.00 O ATOM 0 H SER A 57 -4.943 -4.614 -8.065 1.00 0.00 H new ATOM 0 HA SER A 57 -2.987 -6.804 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.819 -4.055 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.440 -5.122 -8.761 1.00 0.00 H new ATOM 0 HG SER A 57 -2.516 -5.416 -10.808 1.00 0.00 H new ATOM 889 N ILE A 58 -2.516 -3.785 -6.338 1.00 0.00 N ATOM 890 CA ILE A 58 -1.962 -3.045 -5.153 1.00 0.00 C ATOM 891 C ILE A 58 -2.150 -3.859 -3.877 1.00 0.00 C ATOM 892 O ILE A 58 -1.260 -3.976 -3.057 1.00 0.00 O ATOM 893 CB ILE A 58 -2.716 -1.721 -5.035 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.140 -0.875 -3.886 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.206 -1.979 -4.785 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.075 0.312 -3.614 1.00 0.00 C ATOM 0 H ILE A 58 -2.830 -3.183 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.894 -2.872 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.599 -1.176 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.035 -1.484 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.144 -0.516 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.731 -1.027 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.620 -2.552 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.328 -2.542 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.671 0.914 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.157 0.924 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.062 -0.058 -3.336 1.00 0.00 H new ATOM 908 N LEU A 59 -3.302 -4.426 -3.707 1.00 0.00 N ATOM 909 CA LEU A 59 -3.540 -5.249 -2.482 1.00 0.00 C ATOM 910 C LEU A 59 -2.943 -6.650 -2.685 1.00 0.00 C ATOM 911 O LEU A 59 -2.265 -7.169 -1.829 1.00 0.00 O ATOM 912 CB LEU A 59 -5.046 -5.416 -2.174 1.00 0.00 C ATOM 913 CG LEU A 59 -5.823 -4.141 -2.483 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.321 -4.451 -2.507 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.528 -3.067 -1.427 1.00 0.00 C ATOM 0 H LEU A 59 -4.089 -4.361 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.068 -4.729 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.450 -6.241 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.177 -5.678 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.514 -3.763 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.878 -3.540 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.526 -5.197 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.628 -4.837 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.090 -2.163 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.823 -3.433 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.462 -2.841 -1.425 1.00 0.00 H new ATOM 927 N SER A 60 -3.228 -7.273 -3.804 1.00 0.00 N ATOM 928 CA SER A 60 -2.720 -8.663 -4.053 1.00 0.00 C ATOM 929 C SER A 60 -1.258 -8.655 -4.514 1.00 0.00 C ATOM 930 O SER A 60 -0.693 -9.687 -4.815 1.00 0.00 O ATOM 931 CB SER A 60 -3.578 -9.317 -5.135 1.00 0.00 C ATOM 932 OG SER A 60 -4.949 -9.059 -4.868 1.00 0.00 O ATOM 0 H SER A 60 -3.791 -6.879 -4.558 1.00 0.00 H new ATOM 0 HA SER A 60 -2.779 -9.221 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.307 -8.926 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.396 -10.392 -5.159 1.00 0.00 H new ATOM 0 HG SER A 60 -5.368 -8.664 -5.661 1.00 0.00 H new ATOM 938 N ILE A 61 -0.652 -7.505 -4.602 1.00 0.00 N ATOM 939 CA ILE A 61 0.763 -7.420 -5.079 1.00 0.00 C ATOM 940 C ILE A 61 1.721 -7.337 -3.884 1.00 0.00 C ATOM 941 O ILE A 61 2.614 -8.147 -3.746 1.00 0.00 O ATOM 942 CB ILE A 61 0.850 -6.185 -6.012 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.895 -6.390 -7.121 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.147 -4.896 -5.244 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.315 -6.279 -6.572 1.00 0.00 C ATOM 0 H ILE A 61 -1.078 -6.610 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 61 1.060 -8.309 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.133 -6.080 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.755 -7.369 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.747 -5.647 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.198 -4.060 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.355 -4.714 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.100 -4.993 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.030 -6.429 -7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.461 -5.290 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.469 -7.039 -5.806 1.00 0.00 H new ATOM 957 N LEU A 62 1.545 -6.382 -3.025 1.00 0.00 N ATOM 958 CA LEU A 62 2.451 -6.251 -1.845 1.00 0.00 C ATOM 959 C LEU A 62 2.416 -7.523 -0.995 1.00 0.00 C ATOM 960 O LEU A 62 3.024 -7.586 0.056 1.00 0.00 O ATOM 961 CB LEU A 62 2.030 -5.044 -1.008 1.00 0.00 C ATOM 962 CG LEU A 62 2.168 -3.775 -1.858 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.608 -2.577 -1.084 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.638 -3.525 -2.234 1.00 0.00 C ATOM 0 H LEU A 62 0.809 -5.678 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 62 3.472 -6.105 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.000 -5.161 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.652 -4.969 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 62 1.602 -3.907 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.706 -1.675 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.556 -2.750 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.163 -2.453 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.710 -2.620 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.230 -3.405 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.017 -4.373 -2.805 1.00 0.00 H new ATOM 976 N LEU A 63 1.701 -8.534 -1.424 1.00 0.00 N ATOM 977 CA LEU A 63 1.621 -9.794 -0.620 1.00 0.00 C ATOM 978 C LEU A 63 2.620 -10.845 -1.129 1.00 0.00 C ATOM 979 O LEU A 63 3.318 -11.460 -0.347 1.00 0.00 O ATOM 980 CB LEU A 63 0.201 -10.387 -0.711 1.00 0.00 C ATOM 981 CG LEU A 63 -0.856 -9.294 -0.939 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.244 -9.903 -0.690 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.636 -8.085 0.003 1.00 0.00 C ATOM 0 H LEU A 63 1.170 -8.542 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 63 1.863 -9.542 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.160 -11.110 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.027 -10.929 0.207 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.773 -8.930 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.009 -9.142 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.408 -10.730 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.302 -10.270 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.401 -7.332 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.700 -8.415 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.349 -7.655 -0.181 1.00 0.00 H new ATOM 995 N GLU A 64 2.656 -11.099 -2.422 1.00 0.00 N ATOM 996 CA GLU A 64 3.574 -12.168 -2.954 1.00 0.00 C ATOM 997 C GLU A 64 4.430 -11.658 -4.102 1.00 0.00 C ATOM 998 O GLU A 64 5.642 -11.716 -4.044 1.00 0.00 O ATOM 999 CB GLU A 64 2.728 -13.327 -3.465 1.00 0.00 C ATOM 1000 CG GLU A 64 1.982 -13.975 -2.297 1.00 0.00 C ATOM 1001 CD GLU A 64 1.064 -15.077 -2.827 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -0.021 -14.752 -3.280 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.461 -16.230 -2.770 1.00 0.00 O ATOM 0 H GLU A 64 2.096 -10.618 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 64 4.234 -12.480 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.017 -12.970 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.363 -14.064 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.693 -14.391 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.398 -13.225 -1.764 1.00 0.00 H new ATOM 1010 N GLU A 65 3.835 -11.156 -5.150 1.00 0.00 N ATOM 1011 CA GLU A 65 4.664 -10.648 -6.281 1.00 0.00 C ATOM 1012 C GLU A 65 5.703 -9.689 -5.715 1.00 0.00 C ATOM 1013 O GLU A 65 6.628 -9.264 -6.378 1.00 0.00 O ATOM 1014 CB GLU A 65 3.773 -9.924 -7.291 1.00 0.00 C ATOM 1015 CG GLU A 65 2.602 -10.831 -7.674 1.00 0.00 C ATOM 1016 CD GLU A 65 1.746 -10.142 -8.737 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.312 -9.459 -9.575 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.537 -10.307 -8.694 1.00 0.00 O ATOM 0 H GLU A 65 2.826 -11.076 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 65 5.159 -11.475 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.402 -8.993 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.349 -9.660 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.975 -11.782 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.998 -11.053 -6.794 1.00 0.00 H new ATOM 1025 N VAL A 66 5.522 -9.348 -4.478 1.00 0.00 N ATOM 1026 CA VAL A 66 6.428 -8.416 -3.780 1.00 0.00 C ATOM 1027 C VAL A 66 6.566 -8.860 -2.312 1.00 0.00 C ATOM 1028 O VAL A 66 5.593 -8.935 -1.588 1.00 0.00 O ATOM 1029 CB VAL A 66 5.759 -7.048 -3.874 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.165 -6.132 -2.727 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.106 -6.411 -5.207 1.00 0.00 C ATOM 0 H VAL A 66 4.753 -9.692 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 66 7.427 -8.392 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 66 4.681 -7.192 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.665 -5.170 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.877 -6.586 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.245 -5.984 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.630 -5.433 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.187 -6.295 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.751 -7.047 -6.018 1.00 0.00 H new ATOM 1041 N SER A 67 7.761 -9.132 -1.863 1.00 0.00 N ATOM 1042 CA SER A 67 7.940 -9.541 -0.440 1.00 0.00 C ATOM 1043 C SER A 67 7.804 -8.280 0.435 1.00 0.00 C ATOM 1044 O SER A 67 8.069 -7.199 -0.045 1.00 0.00 O ATOM 1045 CB SER A 67 9.335 -10.157 -0.267 1.00 0.00 C ATOM 1046 OG SER A 67 9.271 -11.547 -0.561 1.00 0.00 O ATOM 0 H SER A 67 8.617 -9.089 -2.416 1.00 0.00 H new ATOM 0 HA SER A 67 7.192 -10.279 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.048 -9.665 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.689 -10.004 0.752 1.00 0.00 H new ATOM 0 HG SER A 67 10.160 -11.945 -0.454 1.00 0.00 H new ATOM 1052 N PRO A 68 7.399 -8.431 1.684 1.00 0.00 N ATOM 1053 CA PRO A 68 7.240 -7.266 2.579 1.00 0.00 C ATOM 1054 C PRO A 68 8.546 -6.451 2.627 1.00 0.00 C ATOM 1055 O PRO A 68 8.540 -5.234 2.583 1.00 0.00 O ATOM 1056 CB PRO A 68 6.891 -7.870 3.960 1.00 0.00 C ATOM 1057 CG PRO A 68 6.872 -9.418 3.802 1.00 0.00 C ATOM 1058 CD PRO A 68 7.080 -9.734 2.305 1.00 0.00 C ATOM 0 HA PRO A 68 6.466 -6.577 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.626 -7.570 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.922 -7.508 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.658 -9.874 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.925 -9.828 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.889 -10.450 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.184 -10.173 1.865 1.00 0.00 H new ATOM 1066 N GLU A 69 9.664 -7.120 2.727 1.00 0.00 N ATOM 1067 CA GLU A 69 10.969 -6.395 2.792 1.00 0.00 C ATOM 1068 C GLU A 69 11.128 -5.521 1.539 1.00 0.00 C ATOM 1069 O GLU A 69 11.420 -4.341 1.622 1.00 0.00 O ATOM 1070 CB GLU A 69 12.155 -7.398 2.889 1.00 0.00 C ATOM 1071 CG GLU A 69 11.696 -8.778 3.391 1.00 0.00 C ATOM 1072 CD GLU A 69 10.741 -8.632 4.582 1.00 0.00 C ATOM 1073 OE1 GLU A 69 10.669 -7.548 5.132 1.00 0.00 O ATOM 1074 OE2 GLU A 69 10.099 -9.611 4.921 1.00 0.00 O ATOM 0 H GLU A 69 9.731 -8.137 2.767 1.00 0.00 H new ATOM 0 HA GLU A 69 10.978 -5.768 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.622 -7.504 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.914 -7.000 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.199 -9.317 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.563 -9.371 3.684 1.00 0.00 H new ATOM 1081 N LEU A 70 10.941 -6.090 0.378 1.00 0.00 N ATOM 1082 CA LEU A 70 11.083 -5.303 -0.876 1.00 0.00 C ATOM 1083 C LEU A 70 10.320 -3.985 -0.733 1.00 0.00 C ATOM 1084 O LEU A 70 10.836 -2.925 -1.025 1.00 0.00 O ATOM 1085 CB LEU A 70 10.509 -6.123 -2.039 1.00 0.00 C ATOM 1086 CG LEU A 70 10.343 -5.248 -3.285 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.679 -4.590 -3.637 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.876 -6.119 -4.458 1.00 0.00 C ATOM 0 H LEU A 70 10.695 -7.071 0.246 1.00 0.00 H new ATOM 0 HA LEU A 70 12.133 -5.084 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.170 -6.961 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.545 -6.545 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 70 9.603 -4.473 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.556 -3.969 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.011 -3.971 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.423 -5.361 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.757 -5.499 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.617 -6.894 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.922 -6.583 -4.209 1.00 0.00 H new ATOM 1100 N VAL A 71 9.088 -4.048 -0.299 1.00 0.00 N ATOM 1101 CA VAL A 71 8.279 -2.802 -0.147 1.00 0.00 C ATOM 1102 C VAL A 71 9.133 -1.728 0.512 1.00 0.00 C ATOM 1103 O VAL A 71 9.409 -0.710 -0.086 1.00 0.00 O ATOM 1104 CB VAL A 71 7.045 -3.089 0.712 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.976 -2.014 0.487 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.479 -4.442 0.311 1.00 0.00 C ATOM 0 H VAL A 71 8.606 -4.910 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 71 7.953 -2.454 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 71 7.330 -3.088 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.105 -2.232 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.378 -1.038 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.683 -2.006 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.598 -4.661 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.201 -4.422 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.231 -5.214 0.473 1.00 0.00 H new ATOM 1116 N CYS A 72 9.577 -1.958 1.728 1.00 0.00 N ATOM 1117 CA CYS A 72 10.438 -0.943 2.414 1.00 0.00 C ATOM 1118 C CYS A 72 11.433 -0.366 1.410 1.00 0.00 C ATOM 1119 O CYS A 72 11.802 0.791 1.475 1.00 0.00 O ATOM 1120 CB CYS A 72 11.196 -1.586 3.569 1.00 0.00 C ATOM 1121 SG CYS A 72 10.050 -1.974 4.914 1.00 0.00 S ATOM 0 H CYS A 72 9.381 -2.799 2.270 1.00 0.00 H new ATOM 0 HA CYS A 72 9.805 -0.148 2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.693 -2.495 3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.974 -0.911 3.925 1.00 0.00 H new ATOM 1126 N SER A 73 11.836 -1.156 0.451 1.00 0.00 N ATOM 1127 CA SER A 73 12.761 -0.635 -0.585 1.00 0.00 C ATOM 1128 C SER A 73 11.942 0.271 -1.511 1.00 0.00 C ATOM 1129 O SER A 73 12.274 1.420 -1.722 1.00 0.00 O ATOM 1130 CB SER A 73 13.394 -1.802 -1.364 1.00 0.00 C ATOM 1131 OG SER A 73 14.804 -1.627 -1.398 1.00 0.00 O ATOM 0 H SER A 73 11.564 -2.133 0.344 1.00 0.00 H new ATOM 0 HA SER A 73 13.577 -0.069 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.144 -2.751 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.995 -1.838 -2.378 1.00 0.00 H new ATOM 0 HG SER A 73 15.214 -2.368 -1.891 1.00 0.00 H new ATOM 1137 N MET A 74 10.853 -0.229 -2.048 1.00 0.00 N ATOM 1138 CA MET A 74 10.012 0.626 -2.931 1.00 0.00 C ATOM 1139 C MET A 74 9.636 1.906 -2.174 1.00 0.00 C ATOM 1140 O MET A 74 9.603 2.983 -2.734 1.00 0.00 O ATOM 1141 CB MET A 74 8.729 -0.119 -3.317 1.00 0.00 C ATOM 1142 CG MET A 74 9.068 -1.377 -4.129 1.00 0.00 C ATOM 1143 SD MET A 74 7.639 -1.844 -5.144 1.00 0.00 S ATOM 1144 CE MET A 74 6.698 -2.721 -3.869 1.00 0.00 C ATOM 0 H MET A 74 10.517 -1.182 -1.912 1.00 0.00 H new ATOM 0 HA MET A 74 10.572 0.870 -3.834 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.177 -0.395 -2.419 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.082 0.536 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 74 9.934 -1.190 -4.765 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.335 -2.194 -3.459 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.767 -3.094 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.286 -3.558 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.474 -2.039 -3.049 1.00 0.00 H new