USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 44 CYS SG : rot 103:sc= -0.616 USER MOD Single : A 46 SER OG : rot -31:sc= 0.306 USER MOD Single : A 47 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 57 CYS SG : rot 101:sc= -1.17 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 ASN : amide:sc= 0.0018 X(o=0.0018,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.094) USER MOD Single : A 78 CYS SG : rot 84:sc= 1.1 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 82 CYS SG : rot 75:sc= 1.09 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -1.45 (180deg=-2.02) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0136) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= -0.11 (180deg=-0.616) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.327 -6.110 8.984 1.00 0.00 N ATOM 143 CA GLN A 34 -6.783 -7.414 9.344 1.00 0.00 C ATOM 144 C GLN A 34 -5.857 -7.937 8.247 1.00 0.00 C ATOM 145 O GLN A 34 -5.454 -9.099 8.262 1.00 0.00 O ATOM 146 CB GLN A 34 -7.921 -8.406 9.596 1.00 0.00 C ATOM 147 CG GLN A 34 -7.491 -9.650 10.357 1.00 0.00 C ATOM 148 CD GLN A 34 -8.662 -10.540 10.725 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.263 -10.386 11.788 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.989 -11.482 9.847 1.00 0.00 N ATOM 0 HA GLN A 34 -6.200 -7.304 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.711 -7.904 10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.348 -8.706 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.785 -10.217 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.965 -9.353 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.463 -11.574 8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.766 -12.113 10.042 1.00 0.00 H new ATOM 159 N TRP A 35 -5.522 -7.066 7.298 1.00 0.00 N ATOM 160 CA TRP A 35 -4.641 -7.435 6.193 1.00 0.00 C ATOM 161 C TRP A 35 -3.272 -7.871 6.707 1.00 0.00 C ATOM 162 O TRP A 35 -2.848 -7.465 7.789 1.00 0.00 O ATOM 163 CB TRP A 35 -4.479 -6.258 5.225 1.00 0.00 C ATOM 164 CG TRP A 35 -5.210 -6.433 3.925 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.319 -7.199 3.698 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.883 -5.822 2.672 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.695 -7.106 2.379 1.00 0.00 N ATOM 168 CE2 TRP A 35 -5.830 -6.264 1.730 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.878 -4.943 2.255 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -5.802 -5.858 0.399 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -3.852 -4.539 0.933 1.00 0.00 C ATOM 172 CH2 TRP A 35 -4.808 -4.997 0.019 1.00 0.00 C ATOM 0 H TRP A 35 -5.847 -6.100 7.272 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.097 -8.273 5.666 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.835 -5.349 5.711 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.419 -6.114 5.018 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.826 -7.791 4.446 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.488 -7.585 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.135 -4.586 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.538 -6.210 -0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.082 -3.859 0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -4.760 -4.664 -1.007 1.00 0.00 H new ATOM 183 N SER A 36 -2.586 -8.699 5.924 1.00 0.00 N ATOM 184 CA SER A 36 -1.264 -9.189 6.300 1.00 0.00 C ATOM 185 C SER A 36 -0.178 -8.511 5.471 1.00 0.00 C ATOM 186 O SER A 36 -0.467 -7.701 4.593 1.00 0.00 O ATOM 187 CB SER A 36 -1.186 -10.706 6.124 1.00 0.00 C ATOM 188 OG SER A 36 -2.162 -11.363 6.913 1.00 0.00 O ATOM 0 H SER A 36 -2.924 -9.044 5.026 1.00 0.00 H new ATOM 0 HA SER A 36 -1.100 -8.946 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.331 -10.961 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.192 -11.057 6.403 1.00 0.00 H new ATOM 0 HG SER A 36 -2.092 -12.331 6.781 1.00 0.00 H new ATOM 194 N VAL A 37 1.076 -8.853 5.758 1.00 0.00 N ATOM 195 CA VAL A 37 2.210 -8.278 5.044 1.00 0.00 C ATOM 196 C VAL A 37 2.171 -8.639 3.561 1.00 0.00 C ATOM 197 O VAL A 37 2.332 -7.776 2.701 1.00 0.00 O ATOM 198 CB VAL A 37 3.548 -8.755 5.644 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.725 -8.162 4.882 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.630 -8.397 7.118 1.00 0.00 C ATOM 0 H VAL A 37 1.331 -9.526 6.481 1.00 0.00 H new ATOM 0 HA VAL A 37 2.136 -7.196 5.151 1.00 0.00 H new ATOM 0 HB VAL A 37 3.595 -9.840 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.658 -8.513 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.677 -8.474 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.684 -7.074 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.581 -8.742 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.556 -7.316 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.811 -8.876 7.655 1.00 0.00 H new ATOM 210 N ASP A 38 1.956 -9.918 3.274 1.00 0.00 N ATOM 211 CA ASP A 38 1.900 -10.394 1.897 1.00 0.00 C ATOM 212 C ASP A 38 0.789 -9.699 1.113 1.00 0.00 C ATOM 213 O ASP A 38 0.923 -9.457 -0.085 1.00 0.00 O ATOM 214 CB ASP A 38 1.687 -11.909 1.871 1.00 0.00 C ATOM 215 CG ASP A 38 0.406 -12.323 2.567 1.00 0.00 C ATOM 216 OD1 ASP A 38 0.439 -12.528 3.799 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.630 -12.444 1.880 1.00 0.00 O ATOM 0 H ASP A 38 1.818 -10.644 3.977 1.00 0.00 H new ATOM 0 HA ASP A 38 2.851 -10.155 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.663 -12.252 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.533 -12.401 2.351 1.00 0.00 H new ATOM 222 N ASP A 39 -0.304 -9.376 1.797 1.00 0.00 N ATOM 223 CA ASP A 39 -1.438 -8.714 1.159 1.00 0.00 C ATOM 224 C ASP A 39 -1.089 -7.286 0.747 1.00 0.00 C ATOM 225 O ASP A 39 -1.441 -6.841 -0.346 1.00 0.00 O ATOM 226 CB ASP A 39 -2.644 -8.703 2.100 1.00 0.00 C ATOM 227 CG ASP A 39 -3.177 -10.096 2.371 1.00 0.00 C ATOM 228 OD1 ASP A 39 -4.034 -10.566 1.593 1.00 0.00 O ATOM 229 OD2 ASP A 39 -2.737 -10.717 3.360 1.00 0.00 O ATOM 0 H ASP A 39 -0.429 -9.561 2.792 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.688 -9.276 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.362 -8.235 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.435 -8.092 1.665 1.00 0.00 H new ATOM 234 N VAL A 40 -0.393 -6.573 1.627 1.00 0.00 N ATOM 235 CA VAL A 40 -0.003 -5.193 1.358 1.00 0.00 C ATOM 236 C VAL A 40 1.050 -5.113 0.254 1.00 0.00 C ATOM 237 O VAL A 40 0.947 -4.287 -0.652 1.00 0.00 O ATOM 238 CB VAL A 40 0.544 -4.509 2.627 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.947 -3.072 2.335 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.486 -4.561 3.744 1.00 0.00 C ATOM 0 H VAL A 40 -0.087 -6.928 2.533 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.902 -4.672 1.028 1.00 0.00 H new ATOM 0 HB VAL A 40 1.433 -5.050 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.330 -2.609 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.722 -3.060 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.079 -2.515 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.084 -4.074 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.393 -4.046 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.720 -5.600 3.975 1.00 0.00 H new ATOM 250 N ILE A 41 2.060 -5.975 0.337 1.00 0.00 N ATOM 251 CA ILE A 41 3.134 -5.991 -0.650 1.00 0.00 C ATOM 252 C ILE A 41 2.622 -6.391 -2.031 1.00 0.00 C ATOM 253 O ILE A 41 2.831 -5.674 -3.009 1.00 0.00 O ATOM 254 CB ILE A 41 4.265 -6.954 -0.240 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.814 -6.571 1.136 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.377 -6.940 -1.282 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.858 -7.534 1.661 1.00 0.00 C ATOM 0 H ILE A 41 2.157 -6.670 1.077 1.00 0.00 H new ATOM 0 HA ILE A 41 3.526 -4.975 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 41 3.860 -7.964 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.248 -5.573 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.989 -6.520 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.169 -7.625 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.976 -7.253 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.783 -5.932 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.202 -7.200 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.423 -8.529 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.702 -7.567 0.972 1.00 0.00 H new ATOM 269 N THR A 42 1.957 -7.540 -2.103 1.00 0.00 N ATOM 270 CA THR A 42 1.424 -8.037 -3.368 1.00 0.00 C ATOM 271 C THR A 42 0.594 -6.974 -4.080 1.00 0.00 C ATOM 272 O THR A 42 0.898 -6.596 -5.210 1.00 0.00 O ATOM 273 CB THR A 42 0.558 -9.294 -3.164 1.00 0.00 C ATOM 274 OG1 THR A 42 1.335 -10.330 -2.548 1.00 0.00 O ATOM 275 CG2 THR A 42 0.007 -9.793 -4.493 1.00 0.00 C ATOM 0 H THR A 42 1.774 -8.144 -1.302 1.00 0.00 H new ATOM 0 HA THR A 42 2.285 -8.294 -3.986 1.00 0.00 H new ATOM 0 HB THR A 42 -0.278 -9.031 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.106 -10.389 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.601 -10.681 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.606 -9.015 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.833 -10.040 -5.160 1.00 0.00 H new ATOM 283 N TRP A 43 -0.457 -6.498 -3.415 1.00 0.00 N ATOM 284 CA TRP A 43 -1.328 -5.480 -3.995 1.00 0.00 C ATOM 285 C TRP A 43 -0.527 -4.247 -4.399 1.00 0.00 C ATOM 286 O TRP A 43 -0.794 -3.633 -5.433 1.00 0.00 O ATOM 287 CB TRP A 43 -2.428 -5.085 -3.007 1.00 0.00 C ATOM 288 CG TRP A 43 -3.360 -4.041 -3.546 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.392 -4.234 -4.420 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.344 -2.639 -3.249 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.017 -3.039 -4.684 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.392 -2.045 -3.978 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.545 -1.827 -2.437 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.661 -0.680 -3.919 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.814 -0.471 -2.380 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.864 0.090 -3.117 1.00 0.00 C ATOM 0 H TRP A 43 -0.725 -6.800 -2.478 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.790 -5.903 -4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.002 -5.972 -2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.968 -4.714 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.675 -5.187 -4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.816 -2.913 -5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.733 -2.251 -1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.470 -0.245 -4.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.204 0.166 -1.756 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.048 1.152 -3.051 1.00 0.00 H new ATOM 307 N CYS A 44 0.454 -3.889 -3.576 1.00 0.00 N ATOM 308 CA CYS A 44 1.295 -2.729 -3.847 1.00 0.00 C ATOM 309 C CYS A 44 2.028 -2.888 -5.175 1.00 0.00 C ATOM 310 O CYS A 44 1.735 -2.189 -6.141 1.00 0.00 O ATOM 311 CB CYS A 44 2.304 -2.529 -2.715 1.00 0.00 C ATOM 312 SG CYS A 44 3.380 -1.092 -2.931 1.00 0.00 S ATOM 0 H CYS A 44 0.686 -4.386 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 44 0.652 -1.851 -3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.763 -2.426 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.922 -3.423 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 44 2.971 -0.124 -2.165 1.00 0.00 H new ATOM 318 N ILE A 45 2.980 -3.815 -5.208 1.00 0.00 N ATOM 319 CA ILE A 45 3.770 -4.081 -6.408 1.00 0.00 C ATOM 320 C ILE A 45 2.883 -4.339 -7.626 1.00 0.00 C ATOM 321 O ILE A 45 3.276 -4.068 -8.760 1.00 0.00 O ATOM 322 CB ILE A 45 4.686 -5.302 -6.195 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.536 -5.117 -4.936 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.572 -5.526 -7.411 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.321 -6.351 -4.549 1.00 0.00 C ATOM 0 H ILE A 45 3.226 -4.400 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 45 4.372 -3.191 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 45 4.060 -6.184 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.229 -4.290 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.887 -4.835 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.211 -6.392 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.949 -5.701 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.192 -4.645 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.900 -6.146 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.633 -7.175 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.996 -6.622 -5.361 1.00 0.00 H new ATOM 337 N SER A 46 1.686 -4.860 -7.381 1.00 0.00 N ATOM 338 CA SER A 46 0.749 -5.171 -8.457 1.00 0.00 C ATOM 339 C SER A 46 0.309 -3.918 -9.210 1.00 0.00 C ATOM 340 O SER A 46 -0.294 -4.013 -10.280 1.00 0.00 O ATOM 341 CB SER A 46 -0.476 -5.893 -7.897 1.00 0.00 C ATOM 342 OG SER A 46 -1.395 -6.209 -8.927 1.00 0.00 O ATOM 0 H SER A 46 1.340 -5.076 -6.446 1.00 0.00 H new ATOM 0 HA SER A 46 1.267 -5.820 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.164 -6.806 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.963 -5.265 -7.151 1.00 0.00 H new ATOM 0 HG SER A 46 -1.348 -5.526 -9.628 1.00 0.00 H new ATOM 348 N THR A 47 0.602 -2.745 -8.655 1.00 0.00 N ATOM 349 CA THR A 47 0.213 -1.492 -9.293 1.00 0.00 C ATOM 350 C THR A 47 1.002 -0.301 -8.750 1.00 0.00 C ATOM 351 O THR A 47 0.580 0.846 -8.899 1.00 0.00 O ATOM 352 CB THR A 47 -1.295 -1.226 -9.105 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.663 0.005 -9.737 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.659 -1.177 -7.628 1.00 0.00 C ATOM 0 H THR A 47 1.103 -2.636 -7.773 1.00 0.00 H new ATOM 0 HA THR A 47 0.439 -1.600 -10.354 1.00 0.00 H new ATOM 0 HB THR A 47 -1.843 -2.046 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.080 0.724 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.727 -0.988 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.411 -2.130 -7.160 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.100 -0.378 -7.142 1.00 0.00 H new ATOM 362 N LEU A 48 2.151 -0.565 -8.134 1.00 0.00 N ATOM 363 CA LEU A 48 2.968 0.512 -7.581 1.00 0.00 C ATOM 364 C LEU A 48 3.847 1.133 -8.661 1.00 0.00 C ATOM 365 O LEU A 48 3.616 2.265 -9.087 1.00 0.00 O ATOM 366 CB LEU A 48 3.842 -0.025 -6.438 1.00 0.00 C ATOM 367 CG LEU A 48 4.409 1.022 -5.466 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.398 1.944 -6.163 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.284 1.826 -4.833 1.00 0.00 C ATOM 0 H LEU A 48 2.534 -1.502 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 48 2.303 1.283 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.254 -0.741 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.676 -0.575 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 48 4.945 0.492 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.781 2.673 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.225 1.356 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.897 2.464 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.704 2.562 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.719 2.337 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.622 1.156 -4.284 1.00 0.00 H new ATOM 381 N GLU A 49 4.855 0.389 -9.104 1.00 0.00 N ATOM 382 CA GLU A 49 5.761 0.871 -10.138 1.00 0.00 C ATOM 383 C GLU A 49 6.182 -0.254 -11.074 1.00 0.00 C ATOM 384 O GLU A 49 5.965 -0.190 -12.284 1.00 0.00 O ATOM 385 CB GLU A 49 7.000 1.511 -9.510 1.00 0.00 C ATOM 386 CG GLU A 49 7.974 2.075 -10.533 1.00 0.00 C ATOM 387 CD GLU A 49 9.236 2.623 -9.900 1.00 0.00 C ATOM 388 OE1 GLU A 49 10.159 1.825 -9.631 1.00 0.00 O ATOM 389 OE2 GLU A 49 9.302 3.849 -9.672 1.00 0.00 O ATOM 0 H GLU A 49 5.064 -0.549 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 49 5.226 1.621 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.686 2.311 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.514 0.768 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.240 1.293 -11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.483 2.867 -11.098 1.00 0.00 H new ATOM 396 N VAL A 50 6.791 -1.285 -10.495 1.00 0.00 N ATOM 397 CA VAL A 50 7.274 -2.426 -11.263 1.00 0.00 C ATOM 398 C VAL A 50 6.503 -3.698 -10.921 1.00 0.00 C ATOM 399 O VAL A 50 5.451 -3.649 -10.285 1.00 0.00 O ATOM 400 CB VAL A 50 8.777 -2.656 -11.002 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.572 -1.401 -11.333 1.00 0.00 C ATOM 402 CG2 VAL A 50 9.012 -3.072 -9.557 1.00 0.00 C ATOM 0 H VAL A 50 6.962 -1.353 -9.492 1.00 0.00 H new ATOM 0 HA VAL A 50 7.116 -2.197 -12.317 1.00 0.00 H new ATOM 0 HB VAL A 50 9.120 -3.463 -11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.630 -1.580 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.430 -1.146 -12.383 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.226 -0.576 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.078 -3.230 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.654 -2.288 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.473 -3.997 -9.352 1.00 0.00 H new ATOM 412 N GLU A 51 7.038 -4.838 -11.351 1.00 0.00 N ATOM 413 CA GLU A 51 6.411 -6.130 -11.094 1.00 0.00 C ATOM 414 C GLU A 51 7.079 -6.819 -9.912 1.00 0.00 C ATOM 415 O GLU A 51 7.930 -6.230 -9.245 1.00 0.00 O ATOM 416 CB GLU A 51 6.507 -7.020 -12.334 1.00 0.00 C ATOM 417 CG GLU A 51 7.927 -7.188 -12.847 1.00 0.00 C ATOM 418 CD GLU A 51 8.039 -8.258 -13.915 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.992 -9.456 -13.563 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.173 -7.898 -15.104 1.00 0.00 O ATOM 0 H GLU A 51 7.908 -4.892 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 51 5.361 -5.962 -10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.094 -8.001 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.890 -6.595 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.278 -6.238 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.583 -7.442 -12.014 1.00 0.00 H new ATOM 427 N GLU A 52 6.694 -8.065 -9.651 1.00 0.00 N ATOM 428 CA GLU A 52 7.273 -8.812 -8.541 1.00 0.00 C ATOM 429 C GLU A 52 8.656 -9.337 -8.914 1.00 0.00 C ATOM 430 O GLU A 52 8.836 -10.526 -9.178 1.00 0.00 O ATOM 431 CB GLU A 52 6.357 -9.973 -8.142 1.00 0.00 C ATOM 432 CG GLU A 52 6.508 -10.403 -6.689 1.00 0.00 C ATOM 433 CD GLU A 52 7.920 -10.832 -6.346 1.00 0.00 C ATOM 434 OE1 GLU A 52 8.245 -12.021 -6.544 1.00 0.00 O ATOM 435 OE2 GLU A 52 8.702 -9.977 -5.875 1.00 0.00 O ATOM 0 H GLU A 52 5.991 -8.574 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 52 7.374 -8.139 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.321 -9.684 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.565 -10.826 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.216 -9.578 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.824 -11.227 -6.486 1.00 0.00 H new ATOM 442 N THR A 53 9.624 -8.429 -8.942 1.00 0.00 N ATOM 443 CA THR A 53 11.003 -8.770 -9.270 1.00 0.00 C ATOM 444 C THR A 53 11.962 -7.958 -8.411 1.00 0.00 C ATOM 445 O THR A 53 12.896 -8.495 -7.814 1.00 0.00 O ATOM 446 CB THR A 53 11.314 -8.507 -10.755 1.00 0.00 C ATOM 447 OG1 THR A 53 11.140 -7.118 -11.057 1.00 0.00 O ATOM 448 CG2 THR A 53 10.410 -9.341 -11.651 1.00 0.00 C ATOM 0 H THR A 53 9.477 -7.440 -8.739 1.00 0.00 H new ATOM 0 HA THR A 53 11.132 -9.834 -9.071 1.00 0.00 H new ATOM 0 HB THR A 53 12.350 -8.790 -10.941 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.342 -6.961 -12.003 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.647 -9.139 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.566 -10.399 -11.441 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.369 -9.083 -11.459 1.00 0.00 H new ATOM 456 N ASP A 54 11.710 -6.656 -8.361 1.00 0.00 N ATOM 457 CA ASP A 54 12.525 -5.733 -7.585 1.00 0.00 C ATOM 458 C ASP A 54 12.477 -6.088 -6.096 1.00 0.00 C ATOM 459 O ASP A 54 11.445 -6.540 -5.599 1.00 0.00 O ATOM 460 CB ASP A 54 12.025 -4.303 -7.812 1.00 0.00 C ATOM 461 CG ASP A 54 12.820 -3.269 -7.038 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.854 -2.802 -7.561 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.410 -2.924 -5.911 1.00 0.00 O ATOM 0 H ASP A 54 10.937 -6.212 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 54 13.561 -5.809 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.075 -4.071 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.976 -4.240 -7.521 1.00 0.00 H new ATOM 468 N PRO A 55 13.594 -5.894 -5.363 1.00 0.00 N ATOM 469 CA PRO A 55 13.666 -6.200 -3.925 1.00 0.00 C ATOM 470 C PRO A 55 12.629 -5.443 -3.093 1.00 0.00 C ATOM 471 O PRO A 55 12.573 -5.603 -1.874 1.00 0.00 O ATOM 472 CB PRO A 55 15.081 -5.762 -3.532 1.00 0.00 C ATOM 473 CG PRO A 55 15.853 -5.773 -4.804 1.00 0.00 C ATOM 474 CD PRO A 55 14.878 -5.380 -5.875 1.00 0.00 C ATOM 0 HA PRO A 55 13.457 -7.253 -3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.076 -4.770 -3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.516 -6.442 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.689 -5.075 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.272 -6.760 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.851 -4.300 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.135 -5.824 -6.837 1.00 0.00 H new ATOM 482 N LEU A 56 11.818 -4.619 -3.754 1.00 0.00 N ATOM 483 CA LEU A 56 10.783 -3.840 -3.075 1.00 0.00 C ATOM 484 C LEU A 56 9.961 -4.716 -2.130 1.00 0.00 C ATOM 485 O LEU A 56 9.465 -4.245 -1.106 1.00 0.00 O ATOM 486 CB LEU A 56 9.862 -3.183 -4.106 1.00 0.00 C ATOM 487 CG LEU A 56 8.770 -2.281 -3.530 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.370 -1.005 -2.957 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.739 -1.951 -4.598 1.00 0.00 C ATOM 0 H LEU A 56 11.858 -4.473 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 56 11.275 -3.069 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.473 -2.594 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.388 -3.967 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 56 8.274 -2.817 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.575 -0.379 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.072 -1.258 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.894 -0.463 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.968 -1.308 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.225 -1.436 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.284 -2.872 -4.961 1.00 0.00 H new ATOM 501 N CYS A 57 9.823 -5.992 -2.481 1.00 0.00 N ATOM 502 CA CYS A 57 9.062 -6.935 -1.669 1.00 0.00 C ATOM 503 C CYS A 57 9.810 -7.274 -0.384 1.00 0.00 C ATOM 504 O CYS A 57 9.246 -7.209 0.707 1.00 0.00 O ATOM 505 CB CYS A 57 8.785 -8.213 -2.460 1.00 0.00 C ATOM 506 SG CYS A 57 7.926 -9.495 -1.517 1.00 0.00 S ATOM 0 H CYS A 57 10.230 -6.397 -3.324 1.00 0.00 H new ATOM 0 HA CYS A 57 8.115 -6.465 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.189 -7.962 -3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.731 -8.616 -2.822 1.00 0.00 H new ATOM 0 HG CYS A 57 6.664 -9.493 -1.831 1.00 0.00 H new ATOM 512 N GLN A 58 11.081 -7.639 -0.524 1.00 0.00 N ATOM 513 CA GLN A 58 11.906 -7.990 0.626 1.00 0.00 C ATOM 514 C GLN A 58 12.038 -6.806 1.579 1.00 0.00 C ATOM 515 O GLN A 58 12.224 -6.985 2.783 1.00 0.00 O ATOM 516 CB GLN A 58 13.291 -8.451 0.166 1.00 0.00 C ATOM 517 CG GLN A 58 14.157 -8.993 1.291 1.00 0.00 C ATOM 518 CD GLN A 58 15.523 -9.444 0.810 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.064 -8.904 -0.155 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.087 -10.441 1.482 1.00 0.00 N ATOM 0 H GLN A 58 11.561 -7.699 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 58 11.419 -8.808 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.174 -9.223 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.805 -7.614 -0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.280 -8.223 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.647 -9.832 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.602 -10.859 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.005 -10.788 1.204 1.00 0.00 H new ATOM 529 N ARG A 59 11.942 -5.598 1.033 1.00 0.00 N ATOM 530 CA ARG A 59 12.048 -4.385 1.836 1.00 0.00 C ATOM 531 C ARG A 59 10.845 -4.253 2.765 1.00 0.00 C ATOM 532 O ARG A 59 10.995 -4.173 3.984 1.00 0.00 O ATOM 533 CB ARG A 59 12.147 -3.155 0.931 1.00 0.00 C ATOM 534 CG ARG A 59 12.565 -1.893 1.665 1.00 0.00 C ATOM 535 CD ARG A 59 14.043 -1.918 2.022 1.00 0.00 C ATOM 536 NE ARG A 59 14.427 -0.771 2.838 1.00 0.00 N ATOM 537 CZ ARG A 59 15.577 -0.117 2.699 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.448 -0.486 1.769 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.854 0.912 3.489 1.00 0.00 N ATOM 0 H ARG A 59 11.791 -5.433 0.038 1.00 0.00 H new ATOM 0 HA ARG A 59 12.952 -4.452 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.864 -3.357 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.181 -2.986 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.355 -1.023 1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.972 -1.786 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.271 -2.838 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.637 -1.928 1.108 1.00 0.00 H new ATOM 0 HE ARG A 59 13.776 -0.452 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.237 -1.274 1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.329 0.018 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.185 1.201 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.736 1.414 3.383 1.00 0.00 H new ATOM 553 N LEU A 60 9.653 -4.227 2.175 1.00 0.00 N ATOM 554 CA LEU A 60 8.417 -4.116 2.941 1.00 0.00 C ATOM 555 C LEU A 60 8.298 -5.249 3.954 1.00 0.00 C ATOM 556 O LEU A 60 7.961 -5.023 5.116 1.00 0.00 O ATOM 557 CB LEU A 60 7.211 -4.130 2.000 1.00 0.00 C ATOM 558 CG LEU A 60 6.955 -2.822 1.251 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.057 -3.063 0.048 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.334 -1.793 2.182 1.00 0.00 C ATOM 0 H LEU A 60 9.518 -4.282 1.165 1.00 0.00 H new ATOM 0 HA LEU A 60 8.439 -3.171 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.349 -4.927 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.322 -4.379 2.579 1.00 0.00 H new ATOM 0 HG LEU A 60 7.909 -2.435 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.886 -2.121 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.537 -3.770 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.103 -3.471 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.157 -0.867 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.388 -2.174 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.011 -1.599 3.014 1.00 0.00 H new ATOM 572 N ARG A 61 8.576 -6.472 3.505 1.00 0.00 N ATOM 573 CA ARG A 61 8.502 -7.641 4.375 1.00 0.00 C ATOM 574 C ARG A 61 9.452 -7.500 5.560 1.00 0.00 C ATOM 575 O ARG A 61 9.127 -7.908 6.676 1.00 0.00 O ATOM 576 CB ARG A 61 8.829 -8.916 3.594 1.00 0.00 C ATOM 577 CG ARG A 61 8.603 -10.190 4.394 1.00 0.00 C ATOM 578 CD ARG A 61 8.970 -11.430 3.593 1.00 0.00 C ATOM 579 NE ARG A 61 8.680 -12.658 4.329 1.00 0.00 N ATOM 580 CZ ARG A 61 8.837 -13.879 3.824 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.277 -14.035 2.582 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.551 -14.945 4.559 1.00 0.00 N ATOM 0 H ARG A 61 8.854 -6.677 2.545 1.00 0.00 H new ATOM 0 HA ARG A 61 7.482 -7.711 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.216 -8.948 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.869 -8.878 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.198 -10.157 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.558 -10.249 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.419 -11.431 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.030 -11.399 3.341 1.00 0.00 H new ATOM 0 HE ARG A 61 8.337 -12.575 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.496 -13.218 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.397 -14.972 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.210 -14.830 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.672 -15.880 4.170 1.00 0.00 H new ATOM 596 N GLU A 62 10.626 -6.922 5.315 1.00 0.00 N ATOM 597 CA GLU A 62 11.616 -6.726 6.369 1.00 0.00 C ATOM 598 C GLU A 62 11.014 -5.942 7.527 1.00 0.00 C ATOM 599 O GLU A 62 11.103 -6.356 8.683 1.00 0.00 O ATOM 600 CB GLU A 62 12.845 -5.996 5.822 1.00 0.00 C ATOM 601 CG GLU A 62 13.922 -5.742 6.868 1.00 0.00 C ATOM 602 CD GLU A 62 15.138 -5.039 6.298 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.146 -3.790 6.276 1.00 0.00 O ATOM 604 OE2 GLU A 62 16.083 -5.736 5.874 1.00 0.00 O ATOM 0 H GLU A 62 10.914 -6.582 4.397 1.00 0.00 H new ATOM 0 HA GLU A 62 11.925 -7.706 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.272 -6.582 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.531 -5.042 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.504 -5.140 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.229 -6.692 7.306 1.00 0.00 H new ATOM 611 N ASN A 63 10.403 -4.808 7.210 1.00 0.00 N ATOM 612 CA ASN A 63 9.778 -3.973 8.224 1.00 0.00 C ATOM 613 C ASN A 63 8.315 -4.357 8.400 1.00 0.00 C ATOM 614 O ASN A 63 7.444 -3.856 7.690 1.00 0.00 O ATOM 615 CB ASN A 63 9.888 -2.496 7.844 1.00 0.00 C ATOM 616 CG ASN A 63 11.326 -2.051 7.669 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.971 -1.609 8.621 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.838 -2.167 6.450 1.00 0.00 N ATOM 0 H ASN A 63 10.328 -4.447 6.259 1.00 0.00 H new ATOM 0 HA ASN A 63 10.300 -4.132 9.168 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.341 -2.320 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.414 -1.889 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.802 -1.885 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.267 -2.538 5.690 1.00 0.00 H new ATOM 625 N ASP A 64 8.059 -5.271 9.333 1.00 0.00 N ATOM 626 CA ASP A 64 6.699 -5.723 9.610 1.00 0.00 C ATOM 627 C ASP A 64 5.760 -4.539 9.833 1.00 0.00 C ATOM 628 O ASP A 64 5.714 -3.963 10.920 1.00 0.00 O ATOM 629 CB ASP A 64 6.685 -6.645 10.832 1.00 0.00 C ATOM 630 CG ASP A 64 7.407 -6.044 12.022 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.649 -6.161 12.084 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.732 -5.457 12.894 1.00 0.00 O ATOM 0 H ASP A 64 8.775 -5.713 9.909 1.00 0.00 H new ATOM 0 HA ASP A 64 6.345 -6.278 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.653 -6.861 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.150 -7.596 10.571 1.00 0.00 H new ATOM 637 N ILE A 65 5.019 -4.180 8.789 1.00 0.00 N ATOM 638 CA ILE A 65 4.079 -3.067 8.858 1.00 0.00 C ATOM 639 C ILE A 65 2.707 -3.481 8.330 1.00 0.00 C ATOM 640 O ILE A 65 2.560 -3.825 7.157 1.00 0.00 O ATOM 641 CB ILE A 65 4.587 -1.853 8.051 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.908 -1.331 8.627 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.538 -0.749 8.024 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.800 -0.804 10.044 1.00 0.00 C ATOM 0 H ILE A 65 5.052 -4.646 7.882 1.00 0.00 H new ATOM 0 HA ILE A 65 3.993 -2.783 9.907 1.00 0.00 H new ATOM 0 HB ILE A 65 4.768 -2.178 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.644 -2.134 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.284 -0.536 7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.915 0.098 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.626 -1.125 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.320 -0.429 9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.777 -0.454 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.090 0.022 10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.456 -1.601 10.703 1.00 0.00 H new ATOM 656 N VAL A 66 1.705 -3.443 9.204 1.00 0.00 N ATOM 657 CA VAL A 66 0.346 -3.816 8.827 1.00 0.00 C ATOM 658 C VAL A 66 -0.318 -2.705 8.013 1.00 0.00 C ATOM 659 O VAL A 66 0.172 -1.577 7.970 1.00 0.00 O ATOM 660 CB VAL A 66 -0.508 -4.131 10.073 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.790 -2.867 10.869 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.803 -4.829 9.686 1.00 0.00 C ATOM 0 H VAL A 66 1.809 -3.158 10.178 1.00 0.00 H new ATOM 0 HA VAL A 66 0.411 -4.713 8.212 1.00 0.00 H new ATOM 0 HB VAL A 66 0.061 -4.811 10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.393 -3.114 11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.152 -2.423 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.331 -2.156 10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.385 -5.039 10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.379 -4.185 9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.574 -5.764 9.175 1.00 0.00 H new ATOM 672 N GLY A 67 -1.429 -3.038 7.363 1.00 0.00 N ATOM 673 CA GLY A 67 -2.143 -2.064 6.554 1.00 0.00 C ATOM 674 C GLY A 67 -2.642 -0.875 7.356 1.00 0.00 C ATOM 675 O GLY A 67 -2.809 0.218 6.815 1.00 0.00 O ATOM 0 H GLY A 67 -1.849 -3.967 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.486 -1.709 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.991 -2.552 6.073 1.00 0.00 H new ATOM 679 N ASP A 68 -2.880 -1.088 8.647 1.00 0.00 N ATOM 680 CA ASP A 68 -3.370 -0.027 9.524 1.00 0.00 C ATOM 681 C ASP A 68 -2.277 1.001 9.807 1.00 0.00 C ATOM 682 O ASP A 68 -2.527 2.036 10.425 1.00 0.00 O ATOM 683 CB ASP A 68 -3.874 -0.623 10.839 1.00 0.00 C ATOM 684 CG ASP A 68 -4.499 0.418 11.748 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.704 0.701 11.586 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.781 0.950 12.621 1.00 0.00 O ATOM 0 H ASP A 68 -2.742 -1.986 9.110 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.192 0.477 9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.607 -1.400 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.044 -1.103 11.358 1.00 0.00 H new ATOM 691 N LEU A 69 -1.065 0.709 9.346 1.00 0.00 N ATOM 692 CA LEU A 69 0.071 1.599 9.557 1.00 0.00 C ATOM 693 C LEU A 69 0.431 2.356 8.282 1.00 0.00 C ATOM 694 O LEU A 69 1.329 3.198 8.286 1.00 0.00 O ATOM 695 CB LEU A 69 1.279 0.793 10.043 1.00 0.00 C ATOM 696 CG LEU A 69 1.392 0.607 11.561 1.00 0.00 C ATOM 697 CD1 LEU A 69 0.039 0.289 12.180 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.391 -0.495 11.877 1.00 0.00 C ATOM 0 H LEU A 69 -0.844 -0.138 8.823 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.210 2.331 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.246 -0.192 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.185 1.283 9.688 1.00 0.00 H new ATOM 0 HG LEU A 69 1.745 1.543 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.152 0.163 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.653 1.107 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.352 -0.631 11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.465 -0.620 12.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.057 -1.429 11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.368 -0.227 11.475 1.00 0.00 H new ATOM 710 N LEU A 70 -0.268 2.054 7.194 1.00 0.00 N ATOM 711 CA LEU A 70 -0.010 2.714 5.919 1.00 0.00 C ATOM 712 C LEU A 70 -0.443 4.185 5.951 1.00 0.00 C ATOM 713 O LEU A 70 0.337 5.064 5.582 1.00 0.00 O ATOM 714 CB LEU A 70 -0.712 1.973 4.775 1.00 0.00 C ATOM 715 CG LEU A 70 -0.291 0.513 4.590 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.132 -0.152 3.513 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.190 0.422 4.244 1.00 0.00 C ATOM 0 H LEU A 70 -1.015 1.360 7.168 1.00 0.00 H new ATOM 0 HA LEU A 70 1.066 2.687 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.788 2.005 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.523 2.510 3.845 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.457 -0.014 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.819 -1.189 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.183 -0.121 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.999 0.377 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.470 -0.624 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.381 0.965 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.779 0.860 5.050 1.00 0.00 H new ATOM 729 N PRO A 71 -1.686 4.482 6.387 1.00 0.00 N ATOM 730 CA PRO A 71 -2.183 5.855 6.457 1.00 0.00 C ATOM 731 C PRO A 71 -1.822 6.541 7.772 1.00 0.00 C ATOM 732 O PRO A 71 -2.075 7.732 7.950 1.00 0.00 O ATOM 733 CB PRO A 71 -3.691 5.666 6.351 1.00 0.00 C ATOM 734 CG PRO A 71 -3.954 4.359 7.022 1.00 0.00 C ATOM 735 CD PRO A 71 -2.712 3.518 6.839 1.00 0.00 C ATOM 0 HA PRO A 71 -1.754 6.493 5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.228 6.478 6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.017 5.650 5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.170 4.504 8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.822 3.867 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.419 3.032 7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.870 2.729 6.103 1.00 0.00 H new ATOM 743 N GLU A 72 -1.230 5.781 8.688 1.00 0.00 N ATOM 744 CA GLU A 72 -0.839 6.313 9.989 1.00 0.00 C ATOM 745 C GLU A 72 0.566 6.906 9.944 1.00 0.00 C ATOM 746 O GLU A 72 0.878 7.845 10.676 1.00 0.00 O ATOM 747 CB GLU A 72 -0.909 5.214 11.053 1.00 0.00 C ATOM 748 CG GLU A 72 -0.511 5.682 12.444 1.00 0.00 C ATOM 749 CD GLU A 72 -0.643 4.589 13.486 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.322 3.817 13.661 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.713 4.505 14.126 1.00 0.00 O ATOM 0 H GLU A 72 -1.010 4.794 8.553 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.536 7.110 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.925 4.820 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.258 4.392 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.519 6.037 12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.134 6.529 12.730 1.00 0.00 H new ATOM 758 N LEU A 73 1.410 6.353 9.078 1.00 0.00 N ATOM 759 CA LEU A 73 2.783 6.827 8.942 1.00 0.00 C ATOM 760 C LEU A 73 2.882 7.918 7.880 1.00 0.00 C ATOM 761 O LEU A 73 1.939 8.150 7.124 1.00 0.00 O ATOM 762 CB LEU A 73 3.712 5.663 8.591 1.00 0.00 C ATOM 763 CG LEU A 73 3.762 4.540 9.630 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.576 3.367 9.109 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.342 5.052 10.941 1.00 0.00 C ATOM 0 H LEU A 73 1.168 5.578 8.461 1.00 0.00 H new ATOM 0 HA LEU A 73 3.092 7.252 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.397 5.241 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.720 6.052 8.450 1.00 0.00 H new ATOM 0 HG LEU A 73 2.744 4.197 9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.600 2.578 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.119 2.984 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.593 3.696 8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.370 4.240 11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.353 5.422 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.719 5.860 11.324 1.00 0.00 H new ATOM 777 N CYS A 74 4.033 8.584 7.830 1.00 0.00 N ATOM 778 CA CYS A 74 4.259 9.655 6.864 1.00 0.00 C ATOM 779 C CYS A 74 5.161 9.182 5.728 1.00 0.00 C ATOM 780 O CYS A 74 5.427 7.988 5.591 1.00 0.00 O ATOM 781 CB CYS A 74 4.885 10.868 7.557 1.00 0.00 C ATOM 782 SG CYS A 74 3.858 11.585 8.860 1.00 0.00 S ATOM 0 H CYS A 74 4.824 8.401 8.448 1.00 0.00 H new ATOM 0 HA CYS A 74 3.295 9.941 6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.843 10.574 7.985 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.091 11.634 6.809 1.00 0.00 H new ATOM 0 HG CYS A 74 4.473 12.602 9.387 1.00 0.00 H new ATOM 788 N LEU A 75 5.627 10.126 4.915 1.00 0.00 N ATOM 789 CA LEU A 75 6.503 9.804 3.792 1.00 0.00 C ATOM 790 C LEU A 75 7.870 9.342 4.285 1.00 0.00 C ATOM 791 O LEU A 75 8.698 8.878 3.501 1.00 0.00 O ATOM 792 CB LEU A 75 6.663 11.019 2.875 1.00 0.00 C ATOM 793 CG LEU A 75 5.396 11.449 2.132 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.628 12.762 1.401 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.958 10.367 1.156 1.00 0.00 C ATOM 0 H LEU A 75 5.413 11.119 5.012 1.00 0.00 H new ATOM 0 HA LEU A 75 6.045 8.991 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.017 11.860 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.438 10.800 2.141 1.00 0.00 H new ATOM 0 HG LEU A 75 4.601 11.597 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.717 13.053 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.897 13.536 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.437 12.639 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.056 10.689 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.751 10.189 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.753 9.446 1.702 1.00 0.00 H new ATOM 807 N GLN A 76 8.101 9.473 5.589 1.00 0.00 N ATOM 808 CA GLN A 76 9.368 9.068 6.187 1.00 0.00 C ATOM 809 C GLN A 76 9.602 7.573 5.998 1.00 0.00 C ATOM 810 O GLN A 76 10.537 7.162 5.309 1.00 0.00 O ATOM 811 CB GLN A 76 9.386 9.415 7.677 1.00 0.00 C ATOM 812 CG GLN A 76 10.703 9.087 8.365 1.00 0.00 C ATOM 813 CD GLN A 76 11.874 9.856 7.784 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.193 10.956 8.235 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.519 9.279 6.777 1.00 0.00 N ATOM 0 H GLN A 76 7.426 9.857 6.251 1.00 0.00 H new ATOM 0 HA GLN A 76 10.170 9.610 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.179 10.479 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.581 8.876 8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.618 9.311 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.897 8.018 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.219 8.366 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.314 9.749 6.345 1.00 0.00 H new ATOM 824 N ASP A 77 8.746 6.762 6.613 1.00 0.00 N ATOM 825 CA ASP A 77 8.859 5.312 6.512 1.00 0.00 C ATOM 826 C ASP A 77 8.667 4.855 5.070 1.00 0.00 C ATOM 827 O ASP A 77 9.296 3.894 4.624 1.00 0.00 O ATOM 828 CB ASP A 77 7.829 4.632 7.415 1.00 0.00 C ATOM 829 CG ASP A 77 7.974 5.043 8.868 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.811 4.443 9.574 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.249 5.964 9.299 1.00 0.00 O ATOM 0 H ASP A 77 7.967 7.085 7.186 1.00 0.00 H new ATOM 0 HA ASP A 77 9.859 5.027 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.826 4.880 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.936 3.550 7.334 1.00 0.00 H new ATOM 836 N CYS A 78 7.797 5.551 4.346 1.00 0.00 N ATOM 837 CA CYS A 78 7.522 5.219 2.953 1.00 0.00 C ATOM 838 C CYS A 78 8.791 5.318 2.112 1.00 0.00 C ATOM 839 O CYS A 78 9.026 4.493 1.229 1.00 0.00 O ATOM 840 CB CYS A 78 6.447 6.147 2.386 1.00 0.00 C ATOM 841 SG CYS A 78 4.863 6.056 3.251 1.00 0.00 S ATOM 0 H CYS A 78 7.270 6.349 4.701 1.00 0.00 H new ATOM 0 HA CYS A 78 7.160 4.192 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.811 7.174 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.290 5.904 1.335 1.00 0.00 H new ATOM 0 HG CYS A 78 4.897 6.822 4.301 1.00 0.00 H new ATOM 847 N GLN A 79 9.605 6.331 2.394 1.00 0.00 N ATOM 848 CA GLN A 79 10.850 6.533 1.663 1.00 0.00 C ATOM 849 C GLN A 79 11.856 5.442 2.011 1.00 0.00 C ATOM 850 O GLN A 79 12.605 4.977 1.152 1.00 0.00 O ATOM 851 CB GLN A 79 11.437 7.912 1.978 1.00 0.00 C ATOM 852 CG GLN A 79 12.390 8.425 0.913 1.00 0.00 C ATOM 853 CD GLN A 79 12.925 9.809 1.225 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.095 10.174 2.388 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.187 10.591 0.184 1.00 0.00 N ATOM 0 H GLN A 79 9.425 7.023 3.122 1.00 0.00 H new ATOM 0 HA GLN A 79 10.634 6.480 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.622 8.626 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.963 7.865 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.225 7.731 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.877 8.446 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.031 10.248 -0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.544 11.535 0.332 1.00 0.00 H new ATOM 864 N ASP A 80 11.866 5.040 3.279 1.00 0.00 N ATOM 865 CA ASP A 80 12.773 3.995 3.745 1.00 0.00 C ATOM 866 C ASP A 80 12.350 2.635 3.196 1.00 0.00 C ATOM 867 O ASP A 80 13.145 1.696 3.150 1.00 0.00 O ATOM 868 CB ASP A 80 12.794 3.955 5.274 1.00 0.00 C ATOM 869 CG ASP A 80 13.701 2.866 5.812 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.902 3.144 6.022 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.213 1.736 6.025 1.00 0.00 O ATOM 0 H ASP A 80 11.256 5.422 4.002 1.00 0.00 H new ATOM 0 HA ASP A 80 13.775 4.223 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.125 4.921 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.781 3.796 5.644 1.00 0.00 H new ATOM 876 N LEU A 81 11.092 2.544 2.782 1.00 0.00 N ATOM 877 CA LEU A 81 10.547 1.307 2.234 1.00 0.00 C ATOM 878 C LEU A 81 10.790 1.222 0.732 1.00 0.00 C ATOM 879 O LEU A 81 10.631 0.162 0.125 1.00 0.00 O ATOM 880 CB LEU A 81 9.047 1.220 2.534 1.00 0.00 C ATOM 881 CG LEU A 81 8.664 0.416 3.784 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.654 0.654 4.917 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.257 0.779 4.230 1.00 0.00 C ATOM 0 H LEU A 81 10.427 3.316 2.816 1.00 0.00 H new ATOM 0 HA LEU A 81 11.056 0.467 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.657 2.232 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.548 0.777 1.672 1.00 0.00 H new ATOM 0 HG LEU A 81 8.694 -0.643 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.356 0.071 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.651 0.348 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.664 1.713 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.996 0.202 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.212 1.843 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.552 0.552 3.430 1.00 0.00 H new ATOM 895 N CYS A 82 11.176 2.346 0.137 1.00 0.00 N ATOM 896 CA CYS A 82 11.446 2.403 -1.293 1.00 0.00 C ATOM 897 C CYS A 82 12.945 2.327 -1.564 1.00 0.00 C ATOM 898 O CYS A 82 13.755 2.347 -0.636 1.00 0.00 O ATOM 899 CB CYS A 82 10.869 3.687 -1.889 1.00 0.00 C ATOM 900 SG CYS A 82 9.072 3.818 -1.756 1.00 0.00 S ATOM 0 H CYS A 82 11.309 3.231 0.626 1.00 0.00 H new ATOM 0 HA CYS A 82 10.967 1.546 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.323 4.543 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.150 3.745 -2.940 1.00 0.00 H new ATOM 0 HG CYS A 82 8.748 4.110 -0.531 1.00 0.00 H new ATOM 906 N ASP A 83 13.308 2.238 -2.840 1.00 0.00 N ATOM 907 CA ASP A 83 14.710 2.161 -3.232 1.00 0.00 C ATOM 908 C ASP A 83 15.440 3.461 -2.911 1.00 0.00 C ATOM 909 O ASP A 83 16.671 3.504 -2.888 1.00 0.00 O ATOM 910 CB ASP A 83 14.826 1.853 -4.726 1.00 0.00 C ATOM 911 CG ASP A 83 14.210 0.516 -5.089 1.00 0.00 C ATOM 912 OD1 ASP A 83 14.899 -0.515 -4.938 1.00 0.00 O ATOM 913 OD2 ASP A 83 13.039 0.500 -5.522 1.00 0.00 O ATOM 0 H ASP A 83 12.650 2.217 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 83 15.176 1.356 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.336 2.643 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.877 1.856 -5.015 1.00 0.00 H new ATOM 918 N GLY A 84 14.674 4.519 -2.661 1.00 0.00 N ATOM 919 CA GLY A 84 15.264 5.807 -2.344 1.00 0.00 C ATOM 920 C GLY A 84 14.655 6.938 -3.150 1.00 0.00 C ATOM 921 O GLY A 84 14.752 8.105 -2.767 1.00 0.00 O ATOM 0 H GLY A 84 13.654 4.507 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.134 6.011 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.337 5.768 -2.532 1.00 0.00 H new ATOM 925 N ASP A 85 14.026 6.590 -4.266 1.00 0.00 N ATOM 926 CA ASP A 85 13.396 7.580 -5.133 1.00 0.00 C ATOM 927 C ASP A 85 12.175 8.196 -4.456 1.00 0.00 C ATOM 928 O ASP A 85 11.259 7.487 -4.043 1.00 0.00 O ATOM 929 CB ASP A 85 12.993 6.935 -6.461 1.00 0.00 C ATOM 930 CG ASP A 85 12.251 7.894 -7.370 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.838 8.930 -7.747 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.082 7.609 -7.704 1.00 0.00 O ATOM 0 H ASP A 85 13.938 5.628 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 85 14.117 8.374 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.886 6.573 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.364 6.067 -6.264 1.00 0.00 H new ATOM 937 N LEU A 86 12.173 9.522 -4.344 1.00 0.00 N ATOM 938 CA LEU A 86 11.066 10.235 -3.716 1.00 0.00 C ATOM 939 C LEU A 86 9.762 9.983 -4.464 1.00 0.00 C ATOM 940 O LEU A 86 8.722 9.739 -3.851 1.00 0.00 O ATOM 941 CB LEU A 86 11.361 11.737 -3.667 1.00 0.00 C ATOM 942 CG LEU A 86 10.237 12.603 -3.089 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.945 12.213 -1.648 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.600 14.077 -3.180 1.00 0.00 C ATOM 0 H LEU A 86 12.925 10.123 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 86 10.956 9.861 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.262 11.895 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.580 12.081 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 86 9.336 12.433 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.144 12.840 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.640 11.167 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.842 12.352 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.790 14.677 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.515 14.262 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.756 14.350 -4.224 1.00 0.00 H new ATOM 956 N ASN A 87 9.825 10.048 -5.791 1.00 0.00 N ATOM 957 CA ASN A 87 8.650 9.823 -6.626 1.00 0.00 C ATOM 958 C ASN A 87 8.001 8.481 -6.307 1.00 0.00 C ATOM 959 O ASN A 87 6.780 8.340 -6.365 1.00 0.00 O ATOM 960 CB ASN A 87 9.031 9.879 -8.104 1.00 0.00 C ATOM 961 CG ASN A 87 9.240 11.297 -8.597 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.305 11.945 -9.069 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.469 11.786 -8.493 1.00 0.00 N ATOM 0 H ASN A 87 10.678 10.255 -6.311 1.00 0.00 H new ATOM 0 HA ASN A 87 7.929 10.613 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.944 9.305 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.249 9.404 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.669 12.734 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.214 11.214 -8.095 1.00 0.00 H new ATOM 970 N LYS A 88 8.829 7.498 -5.973 1.00 0.00 N ATOM 971 CA LYS A 88 8.340 6.164 -5.640 1.00 0.00 C ATOM 972 C LYS A 88 7.403 6.224 -4.437 1.00 0.00 C ATOM 973 O LYS A 88 6.317 5.641 -4.452 1.00 0.00 O ATOM 974 CB LYS A 88 9.519 5.235 -5.341 1.00 0.00 C ATOM 975 CG LYS A 88 9.144 3.762 -5.273 1.00 0.00 C ATOM 976 CD LYS A 88 9.142 3.124 -6.654 1.00 0.00 C ATOM 977 CE LYS A 88 9.026 1.610 -6.571 1.00 0.00 C ATOM 978 NZ LYS A 88 10.012 1.028 -5.619 1.00 0.00 N ATOM 0 H LYS A 88 9.843 7.599 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 88 7.785 5.773 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.279 5.371 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.969 5.529 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.848 3.235 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.158 3.657 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.312 3.522 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.059 3.391 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.017 1.340 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.179 1.180 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.055 -0.003 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.951 1.439 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.720 1.241 -4.644 1.00 0.00 H new ATOM 992 N ALA A 89 7.829 6.939 -3.399 1.00 0.00 N ATOM 993 CA ALA A 89 7.033 7.079 -2.186 1.00 0.00 C ATOM 994 C ALA A 89 5.737 7.833 -2.461 1.00 0.00 C ATOM 995 O ALA A 89 4.728 7.616 -1.790 1.00 0.00 O ATOM 996 CB ALA A 89 7.834 7.783 -1.101 1.00 0.00 C ATOM 0 H ALA A 89 8.722 7.431 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 89 6.775 6.079 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.224 7.879 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.727 7.201 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.126 8.774 -1.449 1.00 0.00 H new ATOM 1002 N ILE A 90 5.771 8.725 -3.448 1.00 0.00 N ATOM 1003 CA ILE A 90 4.591 9.500 -3.811 1.00 0.00 C ATOM 1004 C ILE A 90 3.482 8.581 -4.310 1.00 0.00 C ATOM 1005 O ILE A 90 2.397 8.535 -3.731 1.00 0.00 O ATOM 1006 CB ILE A 90 4.912 10.550 -4.895 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.973 11.531 -4.385 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.648 11.294 -5.307 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.409 12.550 -5.417 1.00 0.00 C ATOM 0 H ILE A 90 6.599 8.927 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 90 4.258 10.022 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 90 5.308 10.037 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.581 12.055 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.845 10.968 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.893 12.031 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.922 10.585 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.224 11.799 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.161 13.209 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.832 12.036 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.548 13.140 -5.732 1.00 0.00 H new ATOM 1021 N LYS A 91 3.764 7.845 -5.383 1.00 0.00 N ATOM 1022 CA LYS A 91 2.790 6.921 -5.953 1.00 0.00 C ATOM 1023 C LYS A 91 2.318 5.926 -4.899 1.00 0.00 C ATOM 1024 O LYS A 91 1.189 5.435 -4.950 1.00 0.00 O ATOM 1025 CB LYS A 91 3.397 6.175 -7.145 1.00 0.00 C ATOM 1026 CG LYS A 91 3.878 7.093 -8.260 1.00 0.00 C ATOM 1027 CD LYS A 91 2.730 7.873 -8.886 1.00 0.00 C ATOM 1028 CE LYS A 91 1.774 6.960 -9.639 1.00 0.00 C ATOM 1029 NZ LYS A 91 0.678 7.726 -10.293 1.00 0.00 N ATOM 0 H LYS A 91 4.658 7.871 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 91 1.932 7.497 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.235 5.571 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.654 5.487 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.617 7.789 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.377 6.502 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.186 8.407 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.129 8.624 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.326 6.399 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.347 6.232 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.048 7.069 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.136 8.242 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.084 8.403 -10.970 1.00 0.00 H new ATOM 1043 N PHE A 92 3.195 5.633 -3.943 1.00 0.00 N ATOM 1044 CA PHE A 92 2.880 4.706 -2.864 1.00 0.00 C ATOM 1045 C PHE A 92 1.743 5.252 -2.005 1.00 0.00 C ATOM 1046 O PHE A 92 0.654 4.676 -1.953 1.00 0.00 O ATOM 1047 CB PHE A 92 4.128 4.466 -2.010 1.00 0.00 C ATOM 1048 CG PHE A 92 3.927 3.496 -0.879 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.625 2.167 -1.129 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.052 3.915 0.436 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.449 1.273 -0.088 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.877 3.027 1.481 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.575 1.705 1.219 1.00 0.00 C ATOM 0 H PHE A 92 4.134 6.028 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 92 2.556 3.758 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.928 4.097 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.462 5.419 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.526 1.825 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.289 4.947 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.214 0.240 -0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.976 3.367 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.438 1.010 2.034 1.00 0.00 H new ATOM 1063 N LYS A 93 2.002 6.374 -1.338 1.00 0.00 N ATOM 1064 CA LYS A 93 1.005 7.005 -0.482 1.00 0.00 C ATOM 1065 C LYS A 93 -0.229 7.406 -1.287 1.00 0.00 C ATOM 1066 O LYS A 93 -1.306 7.605 -0.729 1.00 0.00 O ATOM 1067 CB LYS A 93 1.599 8.234 0.208 1.00 0.00 C ATOM 1068 CG LYS A 93 0.662 8.876 1.220 1.00 0.00 C ATOM 1069 CD LYS A 93 1.263 10.135 1.823 1.00 0.00 C ATOM 1070 CE LYS A 93 1.383 11.247 0.793 1.00 0.00 C ATOM 1071 NZ LYS A 93 1.946 12.494 1.382 1.00 0.00 N ATOM 0 H LYS A 93 2.896 6.864 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 93 0.703 6.282 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.522 7.947 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.864 8.972 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.284 9.120 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.440 8.163 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.643 10.473 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.248 9.909 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.019 10.914 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.401 11.457 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.309 13.104 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.201 12.998 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.721 12.252 2.032 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.062 7.521 -2.602 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.163 7.896 -3.484 1.00 0.00 C ATOM 1087 C ILE A 94 -2.232 6.809 -3.527 1.00 0.00 C ATOM 1088 O ILE A 94 -3.361 7.020 -3.084 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.666 8.179 -4.919 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.115 9.606 -5.016 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.787 7.966 -5.929 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.494 9.931 -6.363 1.00 0.00 C ATOM 0 H ILE A 94 0.825 7.360 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.598 8.808 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 94 0.137 7.480 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.920 10.312 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.639 9.749 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.416 8.171 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.135 6.935 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.613 8.640 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.863 10.957 -6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.321 9.249 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.262 9.821 -7.140 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.873 5.651 -4.077 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.807 4.537 -4.182 1.00 0.00 C ATOM 1106 C LEU A 95 -3.429 4.242 -2.825 1.00 0.00 C ATOM 1107 O LEU A 95 -4.608 3.895 -2.729 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.101 3.288 -4.719 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.327 3.481 -6.026 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.721 2.162 -6.484 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.230 4.054 -7.111 1.00 0.00 C ATOM 0 H LEU A 95 -0.945 5.462 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.596 4.816 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.410 2.926 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.846 2.507 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.521 4.191 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.174 2.316 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.039 1.790 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.515 1.434 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.658 4.182 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.060 3.371 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.619 5.020 -6.788 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.629 4.396 -1.776 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.098 4.146 -0.423 1.00 0.00 C ATOM 1125 C ILE A 96 -4.012 5.267 0.060 1.00 0.00 C ATOM 1126 O ILE A 96 -4.900 5.046 0.884 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.920 3.989 0.558 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.925 2.958 0.025 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.424 3.585 1.937 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.430 3.022 0.693 1.00 0.00 C ATOM 0 H ILE A 96 -1.655 4.692 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.663 3.214 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.411 4.948 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.341 1.960 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.799 3.107 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.578 3.479 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.100 4.351 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.955 2.635 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.083 2.262 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.867 4.008 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.317 2.842 1.762 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.788 6.470 -0.458 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.591 7.627 -0.082 1.00 0.00 C ATOM 1144 C ASN A 97 -6.051 7.423 -0.473 1.00 0.00 C ATOM 1145 O ASN A 97 -6.930 7.372 0.387 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.046 8.894 -0.742 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.839 10.131 -0.368 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.402 10.215 0.724 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.886 11.100 -1.274 1.00 0.00 N ATOM 0 H ASN A 97 -3.056 6.669 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.534 7.740 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.005 9.032 -0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.061 8.771 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.404 11.957 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.404 10.988 -2.166 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.302 7.306 -1.774 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.660 7.108 -2.273 1.00 0.00 C ATOM 1158 C LYS A 98 -8.274 5.833 -1.704 1.00 0.00 C ATOM 1159 O LYS A 98 -9.473 5.785 -1.425 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.675 7.058 -3.802 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.516 8.421 -4.458 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.056 8.823 -4.574 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.335 7.996 -5.625 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.969 8.126 -6.966 1.00 0.00 N ATOM 0 H LYS A 98 -5.586 7.345 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.259 7.957 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.873 6.404 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.613 6.612 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.968 8.402 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.054 9.170 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.987 9.880 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.565 8.697 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.294 8.312 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.334 6.948 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.278 7.877 -7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.786 7.486 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.286 9.106 -7.106 1.00 0.00 H new ATOM 1178 N MET A 99 -7.450 4.801 -1.536 1.00 0.00 N ATOM 1179 CA MET A 99 -7.924 3.531 -0.996 1.00 0.00 C ATOM 1180 C MET A 99 -8.542 3.720 0.386 1.00 0.00 C ATOM 1181 O MET A 99 -9.537 3.078 0.724 1.00 0.00 O ATOM 1182 CB MET A 99 -6.775 2.524 -0.912 1.00 0.00 C ATOM 1183 CG MET A 99 -7.194 1.172 -0.353 1.00 0.00 C ATOM 1184 SD MET A 99 -5.802 0.050 -0.124 1.00 0.00 S ATOM 1185 CE MET A 99 -6.635 -1.391 0.534 1.00 0.00 C ATOM 0 H MET A 99 -6.456 4.820 -1.765 1.00 0.00 H new ATOM 0 HA MET A 99 -8.690 3.147 -1.670 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.353 2.382 -1.907 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.984 2.938 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.697 1.319 0.603 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.917 0.713 -1.027 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.905 -2.176 0.728 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.140 -1.127 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.369 -1.749 -0.188 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.948 4.606 1.180 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.438 4.873 2.528 1.00 0.00 C ATOM 1197 C ARG A 100 -9.684 5.754 2.496 1.00 0.00 C ATOM 1198 O ARG A 100 -10.639 5.519 3.237 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.344 5.543 3.365 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.316 5.092 4.818 1.00 0.00 C ATOM 1201 CD ARG A 100 -8.586 5.485 5.559 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.546 5.082 6.961 1.00 0.00 N ATOM 1203 CZ ARG A 100 -9.490 5.391 7.847 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -10.549 6.099 7.476 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -9.376 4.990 9.106 1.00 0.00 N ATOM 0 H ARG A 100 -7.128 5.151 0.914 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.706 3.920 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.375 5.335 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.486 6.623 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.191 4.010 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.453 5.532 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.724 6.564 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.447 5.025 5.074 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.749 4.532 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.642 6.409 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.270 6.334 8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.564 4.444 9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.100 5.227 9.784 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.668 6.768 1.634 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.797 7.683 1.509 1.00 0.00 C ATOM 1221 C ASP A 101 -12.085 6.928 1.192 1.00 0.00 C ATOM 1222 O ASP A 101 -13.151 7.261 1.709 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.522 8.727 0.423 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.394 9.669 0.797 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -9.573 10.462 1.746 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -8.333 9.616 0.140 1.00 0.00 O ATOM 0 H ASP A 101 -8.886 6.976 1.013 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.923 8.190 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.274 8.220 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.428 9.305 0.241 1.00 0.00 H new