USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 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= -0.286 USER MOD Single : A 42 THR OG1 : rot 77:sc= 0.479 USER MOD Single : A 44 CYS SG : rot 81:sc= -0.0584 USER MOD Single : A 46 SER OG : rot 52:sc= 1.2 USER MOD Single : A 47 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 58 GLN : amide:sc= -1.01 K(o=-1,f=-0.033) USER MOD Single : A 63 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.0061) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.34 K(o=-1.3,f=-2) USER MOD Single : A 78 CYS SG : rot 83:sc= 0.507 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 82 CYS SG : rot 70:sc= 0.234 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 88 LYS NZ :NH3+ -152:sc= -1.77! (180deg=-3.3!) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 0.0271 (180deg=-0.23) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.21) USER MOD Single : A 97 ASN : amide:sc= -0.615 K(o=-0.62,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc=-0.00468 (180deg=-0.872) USER MOD Single : A 99 MET CE :methyl -169:sc= 0 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.164 -6.284 8.143 1.00 0.00 N ATOM 143 CA GLN A 34 -6.944 -7.700 8.420 1.00 0.00 C ATOM 144 C GLN A 34 -5.867 -8.278 7.508 1.00 0.00 C ATOM 145 O GLN A 34 -5.518 -9.454 7.614 1.00 0.00 O ATOM 146 CB GLN A 34 -8.247 -8.481 8.245 1.00 0.00 C ATOM 147 CG GLN A 34 -9.358 -8.027 9.177 1.00 0.00 C ATOM 148 CD GLN A 34 -10.660 -8.764 8.934 1.00 0.00 C ATOM 149 OE1 GLN A 34 -11.489 -8.335 8.130 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.846 -9.881 9.627 1.00 0.00 N ATOM 0 HA GLN A 34 -6.605 -7.792 9.452 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.585 -8.380 7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.052 -9.540 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.046 -8.180 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.521 -6.957 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.132 -10.199 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.703 -10.421 9.504 1.00 0.00 H new ATOM 159 N TRP A 35 -5.345 -7.447 6.612 1.00 0.00 N ATOM 160 CA TRP A 35 -4.306 -7.879 5.682 1.00 0.00 C ATOM 161 C TRP A 35 -2.990 -8.132 6.406 1.00 0.00 C ATOM 162 O TRP A 35 -2.756 -7.608 7.495 1.00 0.00 O ATOM 163 CB TRP A 35 -4.096 -6.829 4.588 1.00 0.00 C ATOM 164 CG TRP A 35 -5.217 -6.747 3.594 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.448 -7.333 3.683 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.204 -6.031 2.354 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.198 -7.025 2.575 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.457 -6.227 1.744 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.251 -5.243 1.702 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.781 -5.663 0.514 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.575 -4.683 0.480 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.831 -4.895 -0.103 1.00 0.00 C ATOM 0 H TRP A 35 -5.624 -6.471 6.510 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.637 -8.812 5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.968 -5.853 5.056 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.170 -7.052 4.058 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.782 -7.949 4.505 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.152 -7.339 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.280 -5.075 2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.748 -5.826 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.848 -4.072 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.054 -4.443 -1.058 1.00 0.00 H new ATOM 183 N SER A 36 -2.133 -8.939 5.788 1.00 0.00 N ATOM 184 CA SER A 36 -0.832 -9.260 6.358 1.00 0.00 C ATOM 185 C SER A 36 0.280 -8.713 5.468 1.00 0.00 C ATOM 186 O SER A 36 0.012 -8.181 4.393 1.00 0.00 O ATOM 187 CB SER A 36 -0.679 -10.774 6.519 1.00 0.00 C ATOM 188 OG SER A 36 0.575 -11.104 7.090 1.00 0.00 O ATOM 0 H SER A 36 -2.319 -9.383 4.889 1.00 0.00 H new ATOM 0 HA SER A 36 -0.759 -8.796 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.481 -11.158 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.778 -11.258 5.547 1.00 0.00 H new ATOM 0 HG SER A 36 0.646 -12.077 7.183 1.00 0.00 H new ATOM 194 N VAL A 37 1.524 -8.847 5.921 1.00 0.00 N ATOM 195 CA VAL A 37 2.670 -8.363 5.158 1.00 0.00 C ATOM 196 C VAL A 37 2.615 -8.846 3.710 1.00 0.00 C ATOM 197 O VAL A 37 2.964 -8.111 2.788 1.00 0.00 O ATOM 198 CB VAL A 37 4.004 -8.808 5.801 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.167 -8.614 4.840 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.252 -8.041 7.090 1.00 0.00 C ATOM 0 H VAL A 37 1.763 -9.286 6.810 1.00 0.00 H new ATOM 0 HA VAL A 37 2.622 -7.274 5.169 1.00 0.00 H new ATOM 0 HB VAL A 37 3.929 -9.871 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.092 -8.935 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.999 -9.207 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.245 -7.561 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.195 -8.365 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.300 -6.974 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.439 -8.233 7.790 1.00 0.00 H new ATOM 210 N ASP A 38 2.166 -10.081 3.516 1.00 0.00 N ATOM 211 CA ASP A 38 2.070 -10.656 2.179 1.00 0.00 C ATOM 212 C ASP A 38 1.049 -9.906 1.326 1.00 0.00 C ATOM 213 O ASP A 38 1.320 -9.566 0.175 1.00 0.00 O ATOM 214 CB ASP A 38 1.690 -12.136 2.264 1.00 0.00 C ATOM 215 CG ASP A 38 1.524 -12.769 0.896 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.547 -13.132 0.279 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.368 -12.903 0.442 1.00 0.00 O ATOM 0 H ASP A 38 1.863 -10.702 4.266 1.00 0.00 H new ATOM 0 HA ASP A 38 3.047 -10.562 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.458 -12.674 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.760 -12.238 2.824 1.00 0.00 H new ATOM 222 N ASP A 39 -0.124 -9.653 1.900 1.00 0.00 N ATOM 223 CA ASP A 39 -1.187 -8.948 1.190 1.00 0.00 C ATOM 224 C ASP A 39 -0.781 -7.511 0.870 1.00 0.00 C ATOM 225 O ASP A 39 -1.124 -6.982 -0.188 1.00 0.00 O ATOM 226 CB ASP A 39 -2.471 -8.953 2.023 1.00 0.00 C ATOM 227 CG ASP A 39 -2.981 -10.356 2.287 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.537 -10.975 3.276 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.828 -10.835 1.503 1.00 0.00 O ATOM 0 H ASP A 39 -0.362 -9.925 2.854 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.365 -9.469 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.287 -8.451 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.240 -8.381 1.504 1.00 0.00 H new ATOM 234 N VAL A 40 -0.049 -6.888 1.787 1.00 0.00 N ATOM 235 CA VAL A 40 0.397 -5.513 1.603 1.00 0.00 C ATOM 236 C VAL A 40 1.417 -5.408 0.473 1.00 0.00 C ATOM 237 O VAL A 40 1.318 -4.526 -0.379 1.00 0.00 O ATOM 238 CB VAL A 40 1.009 -4.942 2.898 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.472 -3.509 2.688 1.00 0.00 C ATOM 240 CG2 VAL A 40 0.006 -5.022 4.040 1.00 0.00 C ATOM 0 H VAL A 40 0.248 -7.314 2.665 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.484 -4.927 1.341 1.00 0.00 H new ATOM 0 HB VAL A 40 1.879 -5.544 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.900 -3.126 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.226 -3.482 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.622 -2.891 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.454 -4.615 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.883 -4.446 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.272 -6.063 4.208 1.00 0.00 H new ATOM 250 N ILE A 41 2.395 -6.311 0.471 1.00 0.00 N ATOM 251 CA ILE A 41 3.432 -6.315 -0.557 1.00 0.00 C ATOM 252 C ILE A 41 2.835 -6.514 -1.949 1.00 0.00 C ATOM 253 O ILE A 41 3.056 -5.702 -2.850 1.00 0.00 O ATOM 254 CB ILE A 41 4.479 -7.419 -0.294 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.226 -7.146 1.014 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.458 -7.513 -1.456 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.101 -8.296 1.462 1.00 0.00 C ATOM 0 H ILE A 41 2.491 -7.048 1.169 1.00 0.00 H new ATOM 0 HA ILE A 41 3.921 -5.342 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 41 3.959 -8.373 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.844 -6.256 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.501 -6.925 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.189 -8.296 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.915 -7.751 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.972 -6.559 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.599 -8.032 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.486 -9.182 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.849 -8.503 0.697 1.00 0.00 H new ATOM 269 N THR A 42 2.083 -7.599 -2.114 1.00 0.00 N ATOM 270 CA THR A 42 1.457 -7.911 -3.394 1.00 0.00 C ATOM 271 C THR A 42 0.741 -6.695 -3.969 1.00 0.00 C ATOM 272 O THR A 42 0.965 -6.320 -5.118 1.00 0.00 O ATOM 273 CB THR A 42 0.450 -9.071 -3.258 1.00 0.00 C ATOM 274 OG1 THR A 42 1.104 -10.232 -2.731 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.177 -9.406 -4.604 1.00 0.00 C ATOM 0 H THR A 42 1.893 -8.277 -1.376 1.00 0.00 H new ATOM 0 HA THR A 42 2.256 -8.210 -4.072 1.00 0.00 H new ATOM 0 HB THR A 42 -0.339 -8.757 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.233 -10.125 -1.765 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.883 -10.227 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.700 -8.531 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.603 -9.700 -5.306 1.00 0.00 H new ATOM 283 N TRP A 43 -0.117 -6.080 -3.160 1.00 0.00 N ATOM 284 CA TRP A 43 -0.866 -4.905 -3.592 1.00 0.00 C ATOM 285 C TRP A 43 0.061 -3.708 -3.782 1.00 0.00 C ATOM 286 O TRP A 43 -0.203 -2.830 -4.605 1.00 0.00 O ATOM 287 CB TRP A 43 -1.952 -4.567 -2.570 1.00 0.00 C ATOM 288 CG TRP A 43 -2.790 -3.386 -2.956 1.00 0.00 C ATOM 289 CD1 TRP A 43 -3.936 -3.403 -3.699 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.550 -2.015 -2.620 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.423 -2.127 -3.843 1.00 0.00 N ATOM 292 CE2 TRP A 43 -3.590 -1.257 -3.190 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.557 -1.353 -1.890 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -3.666 0.126 -3.053 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -1.633 0.021 -1.756 1.00 0.00 C ATOM 296 CH2 TRP A 43 -2.680 0.748 -2.335 1.00 0.00 C ATOM 0 H TRP A 43 -0.310 -6.376 -2.203 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.334 -5.133 -4.550 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.599 -5.434 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.484 -4.370 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.392 -4.290 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.268 -1.869 -4.353 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.746 -1.905 -1.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.474 0.688 -3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.872 0.542 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.711 1.821 -2.213 1.00 0.00 H new ATOM 307 N CYS A 44 1.147 -3.682 -3.020 1.00 0.00 N ATOM 308 CA CYS A 44 2.112 -2.591 -3.098 1.00 0.00 C ATOM 309 C CYS A 44 2.908 -2.660 -4.395 1.00 0.00 C ATOM 310 O CYS A 44 3.597 -1.711 -4.763 1.00 0.00 O ATOM 311 CB CYS A 44 3.063 -2.640 -1.899 1.00 0.00 C ATOM 312 SG CYS A 44 4.359 -1.377 -1.929 1.00 0.00 S ATOM 0 H CYS A 44 1.382 -4.405 -2.340 1.00 0.00 H new ATOM 0 HA CYS A 44 1.562 -1.650 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.482 -2.527 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.531 -3.624 -1.860 1.00 0.00 H new ATOM 0 HG CYS A 44 3.878 -0.251 -1.493 1.00 0.00 H new ATOM 318 N ILE A 45 2.821 -3.795 -5.079 1.00 0.00 N ATOM 319 CA ILE A 45 3.538 -3.987 -6.335 1.00 0.00 C ATOM 320 C ILE A 45 2.583 -4.262 -7.497 1.00 0.00 C ATOM 321 O ILE A 45 2.963 -4.158 -8.662 1.00 0.00 O ATOM 322 CB ILE A 45 4.527 -5.160 -6.214 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.403 -4.982 -4.973 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.381 -5.267 -7.466 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.246 -6.194 -4.647 1.00 0.00 C ATOM 0 H ILE A 45 2.262 -4.596 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 45 4.078 -3.063 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 45 3.963 -6.087 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.058 -4.124 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.766 -4.753 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.075 -6.102 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.739 -5.433 -8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.943 -4.343 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.841 -5.995 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.597 -7.051 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.909 -6.412 -5.484 1.00 0.00 H new ATOM 337 N SER A 46 1.340 -4.602 -7.178 1.00 0.00 N ATOM 338 CA SER A 46 0.350 -4.912 -8.204 1.00 0.00 C ATOM 339 C SER A 46 0.056 -3.709 -9.098 1.00 0.00 C ATOM 340 O SER A 46 0.373 -3.721 -10.288 1.00 0.00 O ATOM 341 CB SER A 46 -0.948 -5.409 -7.564 1.00 0.00 C ATOM 342 OG SER A 46 -0.781 -6.700 -7.003 1.00 0.00 O ATOM 0 H SER A 46 0.994 -4.670 -6.221 1.00 0.00 H new ATOM 0 HA SER A 46 0.772 -5.699 -8.829 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.265 -4.711 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.739 -5.435 -8.313 1.00 0.00 H new ATOM 0 HG SER A 46 -0.000 -6.701 -6.411 1.00 0.00 H new ATOM 348 N THR A 47 -0.552 -2.676 -8.525 1.00 0.00 N ATOM 349 CA THR A 47 -0.907 -1.484 -9.290 1.00 0.00 C ATOM 350 C THR A 47 -0.127 -0.252 -8.835 1.00 0.00 C ATOM 351 O THR A 47 -0.617 0.871 -8.949 1.00 0.00 O ATOM 352 CB THR A 47 -2.416 -1.187 -9.174 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.762 -0.057 -9.984 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.807 -0.918 -7.728 1.00 0.00 C ATOM 0 H THR A 47 -0.809 -2.639 -7.539 1.00 0.00 H new ATOM 0 HA THR A 47 -0.647 -1.695 -10.327 1.00 0.00 H new ATOM 0 HB THR A 47 -2.960 -2.064 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.220 0.715 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.876 -0.711 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.574 -1.792 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.251 -0.058 -7.355 1.00 0.00 H new ATOM 362 N LEU A 48 1.087 -0.450 -8.332 1.00 0.00 N ATOM 363 CA LEU A 48 1.888 0.679 -7.875 1.00 0.00 C ATOM 364 C LEU A 48 2.837 1.173 -8.965 1.00 0.00 C ATOM 365 O LEU A 48 2.645 2.256 -9.516 1.00 0.00 O ATOM 366 CB LEU A 48 2.688 0.306 -6.629 1.00 0.00 C ATOM 367 CG LEU A 48 3.128 1.495 -5.774 1.00 0.00 C ATOM 368 CD1 LEU A 48 2.017 1.902 -4.820 1.00 0.00 C ATOM 369 CD2 LEU A 48 4.401 1.169 -5.009 1.00 0.00 C ATOM 0 H LEU A 48 1.531 -1.363 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 48 1.197 1.486 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.086 -0.364 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.573 -0.252 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 48 3.338 2.334 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.346 2.749 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.132 2.184 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.775 1.065 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.695 2.030 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.225 0.314 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.198 0.930 -5.713 1.00 0.00 H new ATOM 381 N GLU A 49 3.860 0.378 -9.275 1.00 0.00 N ATOM 382 CA GLU A 49 4.830 0.762 -10.298 1.00 0.00 C ATOM 383 C GLU A 49 5.304 -0.427 -11.133 1.00 0.00 C ATOM 384 O GLU A 49 4.890 -0.598 -12.280 1.00 0.00 O ATOM 385 CB GLU A 49 6.032 1.457 -9.655 1.00 0.00 C ATOM 386 CG GLU A 49 5.739 2.876 -9.195 1.00 0.00 C ATOM 387 CD GLU A 49 5.459 3.817 -10.352 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.422 4.410 -10.880 1.00 0.00 O ATOM 389 OE2 GLU A 49 4.277 3.959 -10.731 1.00 0.00 O ATOM 0 H GLU A 49 4.037 -0.526 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 49 4.322 1.451 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.367 0.869 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.854 1.478 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.881 2.867 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.588 3.251 -8.623 1.00 0.00 H new ATOM 396 N VAL A 50 6.174 -1.248 -10.545 1.00 0.00 N ATOM 397 CA VAL A 50 6.738 -2.401 -11.245 1.00 0.00 C ATOM 398 C VAL A 50 6.079 -3.711 -10.823 1.00 0.00 C ATOM 399 O VAL A 50 5.056 -3.717 -10.142 1.00 0.00 O ATOM 400 CB VAL A 50 8.257 -2.506 -10.997 1.00 0.00 C ATOM 401 CG1 VAL A 50 8.973 -1.279 -11.541 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.547 -2.684 -9.514 1.00 0.00 C ATOM 0 H VAL A 50 6.503 -1.136 -9.586 1.00 0.00 H new ATOM 0 HA VAL A 50 6.545 -2.241 -12.306 1.00 0.00 H new ATOM 0 HB VAL A 50 8.631 -3.383 -11.525 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.043 -1.371 -11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.795 -1.199 -12.613 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.595 -0.386 -11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.624 -2.756 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.158 -1.829 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.068 -3.595 -9.156 1.00 0.00 H new ATOM 412 N GLU A 51 6.683 -4.820 -11.247 1.00 0.00 N ATOM 413 CA GLU A 51 6.179 -6.151 -10.923 1.00 0.00 C ATOM 414 C GLU A 51 6.964 -6.754 -9.764 1.00 0.00 C ATOM 415 O GLU A 51 7.797 -6.081 -9.156 1.00 0.00 O ATOM 416 CB GLU A 51 6.286 -7.066 -12.141 1.00 0.00 C ATOM 417 CG GLU A 51 7.696 -7.159 -12.700 1.00 0.00 C ATOM 418 CD GLU A 51 7.868 -8.320 -13.658 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.626 -8.132 -14.869 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.244 -9.419 -13.197 1.00 0.00 O ATOM 0 H GLU A 51 7.527 -4.821 -11.819 1.00 0.00 H new ATOM 0 HA GLU A 51 5.133 -6.058 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.944 -8.064 -11.868 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.617 -6.702 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.941 -6.229 -13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.403 -7.264 -11.877 1.00 0.00 H new ATOM 427 N GLU A 52 6.700 -8.023 -9.459 1.00 0.00 N ATOM 428 CA GLU A 52 7.396 -8.696 -8.368 1.00 0.00 C ATOM 429 C GLU A 52 8.781 -9.154 -8.811 1.00 0.00 C ATOM 430 O GLU A 52 9.014 -10.341 -9.045 1.00 0.00 O ATOM 431 CB GLU A 52 6.586 -9.898 -7.870 1.00 0.00 C ATOM 432 CG GLU A 52 5.232 -9.531 -7.285 1.00 0.00 C ATOM 433 CD GLU A 52 4.236 -9.095 -8.342 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.614 -9.976 -8.971 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.077 -7.872 -8.539 1.00 0.00 O ATOM 0 H GLU A 52 6.016 -8.600 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 52 7.507 -7.983 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.437 -10.591 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.166 -10.426 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.830 -10.388 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.360 -8.728 -6.559 1.00 0.00 H new ATOM 442 N THR A 53 9.693 -8.197 -8.933 1.00 0.00 N ATOM 443 CA THR A 53 11.065 -8.482 -9.333 1.00 0.00 C ATOM 444 C THR A 53 12.044 -7.597 -8.573 1.00 0.00 C ATOM 445 O THR A 53 13.131 -8.032 -8.190 1.00 0.00 O ATOM 446 CB THR A 53 11.269 -8.278 -10.840 1.00 0.00 C ATOM 447 OG1 THR A 53 12.640 -8.512 -11.190 1.00 0.00 O ATOM 448 CG2 THR A 53 10.875 -6.874 -11.225 1.00 0.00 C ATOM 0 H THR A 53 9.505 -7.210 -8.759 1.00 0.00 H new ATOM 0 HA THR A 53 11.256 -9.528 -9.093 1.00 0.00 H new ATOM 0 HB THR A 53 10.641 -8.987 -11.380 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.759 -8.381 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.022 -6.736 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.826 -6.710 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.492 -6.160 -10.679 1.00 0.00 H new ATOM 456 N ASP A 54 11.639 -6.349 -8.362 1.00 0.00 N ATOM 457 CA ASP A 54 12.457 -5.373 -7.659 1.00 0.00 C ATOM 458 C ASP A 54 12.489 -5.666 -6.157 1.00 0.00 C ATOM 459 O ASP A 54 11.487 -6.094 -5.583 1.00 0.00 O ATOM 460 CB ASP A 54 11.905 -3.968 -7.919 1.00 0.00 C ATOM 461 CG ASP A 54 12.753 -2.880 -7.288 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.734 -2.446 -7.928 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.436 -2.460 -6.156 1.00 0.00 O ATOM 0 H ASP A 54 10.737 -5.989 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 54 13.480 -5.435 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.845 -3.799 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.889 -3.903 -7.529 1.00 0.00 H new ATOM 468 N PRO A 55 13.645 -5.441 -5.498 1.00 0.00 N ATOM 469 CA PRO A 55 13.803 -5.686 -4.056 1.00 0.00 C ATOM 470 C PRO A 55 12.858 -4.849 -3.194 1.00 0.00 C ATOM 471 O PRO A 55 12.884 -4.947 -1.967 1.00 0.00 O ATOM 472 CB PRO A 55 15.260 -5.295 -3.776 1.00 0.00 C ATOM 473 CG PRO A 55 15.936 -5.340 -5.102 1.00 0.00 C ATOM 474 CD PRO A 55 14.894 -4.944 -6.105 1.00 0.00 C ATOM 0 HA PRO A 55 13.564 -6.720 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.323 -4.300 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.725 -5.986 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.786 -4.658 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.321 -6.338 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.868 -3.865 -6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.078 -5.398 -7.079 1.00 0.00 H new ATOM 482 N LEU A 56 12.035 -4.022 -3.836 1.00 0.00 N ATOM 483 CA LEU A 56 11.084 -3.170 -3.121 1.00 0.00 C ATOM 484 C LEU A 56 10.296 -3.972 -2.087 1.00 0.00 C ATOM 485 O LEU A 56 10.008 -3.482 -0.994 1.00 0.00 O ATOM 486 CB LEU A 56 10.115 -2.513 -4.109 1.00 0.00 C ATOM 487 CG LEU A 56 9.106 -1.547 -3.486 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.476 -0.107 -3.806 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.698 -1.858 -3.972 1.00 0.00 C ATOM 0 H LEU A 56 12.007 -3.923 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 56 11.651 -2.398 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.695 -1.974 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.568 -3.297 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 56 9.132 -1.675 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.746 0.565 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.467 0.111 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.481 0.036 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.994 -1.161 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.658 -1.760 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.432 -2.877 -3.690 1.00 0.00 H new ATOM 501 N CYS A 57 9.953 -5.206 -2.441 1.00 0.00 N ATOM 502 CA CYS A 57 9.191 -6.078 -1.551 1.00 0.00 C ATOM 503 C CYS A 57 9.982 -6.414 -0.290 1.00 0.00 C ATOM 504 O CYS A 57 9.417 -6.518 0.798 1.00 0.00 O ATOM 505 CB CYS A 57 8.801 -7.366 -2.276 1.00 0.00 C ATOM 506 SG CYS A 57 10.208 -8.336 -2.868 1.00 0.00 S ATOM 0 H CYS A 57 10.191 -5.626 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 57 8.289 -5.543 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.206 -7.983 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.165 -7.114 -3.124 1.00 0.00 H new ATOM 0 HG CYS A 57 9.776 -9.407 -3.465 1.00 0.00 H new ATOM 512 N GLN A 58 11.291 -6.586 -0.444 1.00 0.00 N ATOM 513 CA GLN A 58 12.156 -6.916 0.684 1.00 0.00 C ATOM 514 C GLN A 58 12.218 -5.766 1.686 1.00 0.00 C ATOM 515 O GLN A 58 12.012 -5.962 2.883 1.00 0.00 O ATOM 516 CB GLN A 58 13.565 -7.257 0.191 1.00 0.00 C ATOM 517 CG GLN A 58 14.525 -7.646 1.304 1.00 0.00 C ATOM 518 CD GLN A 58 14.103 -8.915 2.023 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.346 -9.074 3.219 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.476 -9.832 1.292 1.00 0.00 N ATOM 0 H GLN A 58 11.776 -6.503 -1.338 1.00 0.00 H new ATOM 0 HA GLN A 58 11.733 -7.785 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.501 -8.077 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.971 -6.398 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.522 -7.784 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.591 -6.830 2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.295 -9.659 0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.176 -10.708 1.720 1.00 0.00 H new ATOM 529 N ARG A 59 12.504 -4.567 1.187 1.00 0.00 N ATOM 530 CA ARG A 59 12.599 -3.384 2.038 1.00 0.00 C ATOM 531 C ARG A 59 11.263 -3.071 2.707 1.00 0.00 C ATOM 532 O ARG A 59 11.221 -2.444 3.766 1.00 0.00 O ATOM 533 CB ARG A 59 13.063 -2.180 1.217 1.00 0.00 C ATOM 534 CG ARG A 59 14.463 -2.327 0.653 1.00 0.00 C ATOM 535 CD ARG A 59 15.515 -2.222 1.741 1.00 0.00 C ATOM 536 NE ARG A 59 15.439 -0.950 2.454 1.00 0.00 N ATOM 537 CZ ARG A 59 16.492 -0.342 2.994 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.697 -0.888 2.902 1.00 0.00 N ATOM 539 NH2 ARG A 59 16.340 0.814 3.626 1.00 0.00 N ATOM 0 H ARG A 59 12.674 -4.388 0.197 1.00 0.00 H new ATOM 0 HA ARG A 59 13.329 -3.593 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.365 -2.022 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.025 -1.289 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.554 -3.289 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.637 -1.556 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.389 -3.042 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.506 -2.332 1.299 1.00 0.00 H new ATOM 0 HE ARG A 59 14.527 -0.502 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.819 -1.777 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.502 -0.419 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.415 1.238 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.148 1.279 4.040 1.00 0.00 H new ATOM 553 N LEU A 60 10.174 -3.510 2.085 1.00 0.00 N ATOM 554 CA LEU A 60 8.841 -3.271 2.614 1.00 0.00 C ATOM 555 C LEU A 60 8.440 -4.365 3.604 1.00 0.00 C ATOM 556 O LEU A 60 7.678 -4.124 4.539 1.00 0.00 O ATOM 557 CB LEU A 60 7.838 -3.192 1.459 1.00 0.00 C ATOM 558 CG LEU A 60 6.382 -3.443 1.838 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.870 -2.347 2.762 1.00 0.00 C ATOM 560 CD2 LEU A 60 5.515 -3.540 0.592 1.00 0.00 C ATOM 0 H LEU A 60 10.191 -4.035 1.211 1.00 0.00 H new ATOM 0 HA LEU A 60 8.841 -2.323 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.912 -2.205 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.128 -3.917 0.698 1.00 0.00 H new ATOM 0 HG LEU A 60 6.326 -4.392 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.830 -2.545 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.472 -2.327 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.941 -1.383 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.480 -3.719 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.578 -2.608 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.865 -4.363 -0.031 1.00 0.00 H new ATOM 572 N ARG A 61 8.966 -5.567 3.392 1.00 0.00 N ATOM 573 CA ARG A 61 8.668 -6.701 4.260 1.00 0.00 C ATOM 574 C ARG A 61 9.403 -6.580 5.591 1.00 0.00 C ATOM 575 O ARG A 61 8.932 -7.074 6.616 1.00 0.00 O ATOM 576 CB ARG A 61 9.054 -8.008 3.564 1.00 0.00 C ATOM 577 CG ARG A 61 8.770 -9.249 4.393 1.00 0.00 C ATOM 578 CD ARG A 61 9.106 -10.517 3.626 1.00 0.00 C ATOM 579 NE ARG A 61 8.893 -11.715 4.432 1.00 0.00 N ATOM 580 CZ ARG A 61 9.356 -12.917 4.103 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.050 -13.082 2.984 1.00 0.00 N ATOM 582 NH2 ARG A 61 9.123 -13.956 4.892 1.00 0.00 N ATOM 0 H ARG A 61 9.603 -5.781 2.624 1.00 0.00 H new ATOM 0 HA ARG A 61 7.597 -6.704 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.513 -8.080 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.116 -7.980 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.352 -9.214 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.719 -9.264 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.492 -10.571 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.145 -10.479 3.300 1.00 0.00 H new ATOM 0 HE ARG A 61 8.359 -11.625 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.230 -12.285 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.404 -14.006 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.588 -13.834 5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.478 -14.878 4.639 1.00 0.00 H new ATOM 596 N GLU A 62 10.559 -5.922 5.568 1.00 0.00 N ATOM 597 CA GLU A 62 11.357 -5.736 6.774 1.00 0.00 C ATOM 598 C GLU A 62 10.532 -5.068 7.867 1.00 0.00 C ATOM 599 O GLU A 62 10.312 -5.644 8.932 1.00 0.00 O ATOM 600 CB GLU A 62 12.598 -4.895 6.465 1.00 0.00 C ATOM 601 CG GLU A 62 13.563 -4.781 7.633 1.00 0.00 C ATOM 602 CD GLU A 62 14.756 -3.901 7.318 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.760 -4.428 6.792 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.689 -2.686 7.597 1.00 0.00 O ATOM 0 H GLU A 62 10.963 -5.509 4.727 1.00 0.00 H new ATOM 0 HA GLU A 62 11.674 -6.717 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.121 -5.333 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.284 -3.895 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.036 -4.377 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.913 -5.776 7.909 1.00 0.00 H new ATOM 611 N ASN A 63 10.078 -3.849 7.595 1.00 0.00 N ATOM 612 CA ASN A 63 9.269 -3.111 8.553 1.00 0.00 C ATOM 613 C ASN A 63 7.836 -3.632 8.554 1.00 0.00 C ATOM 614 O ASN A 63 6.994 -3.164 7.789 1.00 0.00 O ATOM 615 CB ASN A 63 9.284 -1.615 8.230 1.00 0.00 C ATOM 616 CG ASN A 63 10.673 -1.018 8.330 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.086 -0.549 9.390 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.404 -1.029 7.221 1.00 0.00 N ATOM 0 H ASN A 63 10.257 -3.354 6.721 1.00 0.00 H new ATOM 0 HA ASN A 63 9.696 -3.258 9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.896 -1.459 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.616 -1.091 8.914 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.346 -0.639 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.023 -1.428 6.363 1.00 0.00 H new ATOM 625 N ASP A 64 7.578 -4.622 9.403 1.00 0.00 N ATOM 626 CA ASP A 64 6.249 -5.215 9.510 1.00 0.00 C ATOM 627 C ASP A 64 5.196 -4.147 9.802 1.00 0.00 C ATOM 628 O ASP A 64 5.055 -3.695 10.938 1.00 0.00 O ATOM 629 CB ASP A 64 6.232 -6.277 10.611 1.00 0.00 C ATOM 630 CG ASP A 64 4.929 -7.053 10.651 1.00 0.00 C ATOM 631 OD1 ASP A 64 3.936 -6.519 11.187 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.904 -8.195 10.147 1.00 0.00 O ATOM 0 H ASP A 64 8.273 -5.031 10.028 1.00 0.00 H new ATOM 0 HA ASP A 64 6.009 -5.684 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.059 -6.970 10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.395 -5.797 11.576 1.00 0.00 H new ATOM 637 N ILE A 65 4.464 -3.747 8.765 1.00 0.00 N ATOM 638 CA ILE A 65 3.420 -2.736 8.907 1.00 0.00 C ATOM 639 C ILE A 65 2.089 -3.248 8.364 1.00 0.00 C ATOM 640 O ILE A 65 1.967 -3.547 7.176 1.00 0.00 O ATOM 641 CB ILE A 65 3.794 -1.429 8.175 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.087 -0.840 8.748 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.658 -0.419 8.271 1.00 0.00 C ATOM 644 CD1 ILE A 65 4.997 -0.469 10.215 1.00 0.00 C ATOM 0 H ILE A 65 4.575 -4.108 7.817 1.00 0.00 H new ATOM 0 HA ILE A 65 3.322 -2.528 9.972 1.00 0.00 H new ATOM 0 HB ILE A 65 3.960 -1.661 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.893 -1.561 8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.355 0.047 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.939 0.496 7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.761 -0.836 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.460 -0.193 9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.951 -0.059 10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.214 0.277 10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.761 -1.357 10.801 1.00 0.00 H new ATOM 656 N VAL A 66 1.095 -3.346 9.242 1.00 0.00 N ATOM 657 CA VAL A 66 -0.228 -3.821 8.850 1.00 0.00 C ATOM 658 C VAL A 66 -0.941 -2.787 7.983 1.00 0.00 C ATOM 659 O VAL A 66 -0.537 -1.625 7.929 1.00 0.00 O ATOM 660 CB VAL A 66 -1.094 -4.141 10.087 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.470 -2.867 10.828 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.337 -4.926 9.694 1.00 0.00 C ATOM 0 H VAL A 66 1.180 -3.103 10.229 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.088 -4.735 8.273 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.503 -4.763 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.080 -3.117 11.696 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.565 -2.356 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.035 -2.213 10.164 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.930 -5.138 10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.932 -4.339 8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.041 -5.863 9.223 1.00 0.00 H new ATOM 672 N GLY A 67 -1.998 -3.219 7.305 1.00 0.00 N ATOM 673 CA GLY A 67 -2.751 -2.321 6.449 1.00 0.00 C ATOM 674 C GLY A 67 -3.343 -1.149 7.208 1.00 0.00 C ATOM 675 O GLY A 67 -3.527 -0.068 6.648 1.00 0.00 O ATOM 0 H GLY A 67 -2.348 -4.177 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.099 -1.946 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.553 -2.876 5.963 1.00 0.00 H new ATOM 679 N ASP A 68 -3.641 -1.364 8.485 1.00 0.00 N ATOM 680 CA ASP A 68 -4.217 -0.320 9.326 1.00 0.00 C ATOM 681 C ASP A 68 -3.193 0.771 9.626 1.00 0.00 C ATOM 682 O ASP A 68 -3.553 1.890 9.994 1.00 0.00 O ATOM 683 CB ASP A 68 -4.726 -0.921 10.637 1.00 0.00 C ATOM 684 CG ASP A 68 -5.400 0.109 11.523 1.00 0.00 C ATOM 685 OD1 ASP A 68 -4.696 0.739 12.341 1.00 0.00 O ATOM 686 OD2 ASP A 68 -6.629 0.285 11.400 1.00 0.00 O ATOM 0 H ASP A 68 -3.493 -2.254 8.961 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.050 0.127 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.431 -1.723 10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.891 -1.369 11.176 1.00 0.00 H new ATOM 691 N LEU A 69 -1.917 0.436 9.465 1.00 0.00 N ATOM 692 CA LEU A 69 -0.839 1.382 9.730 1.00 0.00 C ATOM 693 C LEU A 69 -0.262 1.948 8.436 1.00 0.00 C ATOM 694 O LEU A 69 0.730 2.676 8.459 1.00 0.00 O ATOM 695 CB LEU A 69 0.266 0.705 10.544 1.00 0.00 C ATOM 696 CG LEU A 69 0.085 0.746 12.067 1.00 0.00 C ATOM 697 CD1 LEU A 69 -1.315 0.300 12.467 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.130 -0.125 12.743 1.00 0.00 C ATOM 0 H LEU A 69 -1.604 -0.483 9.152 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.255 2.211 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.336 -0.337 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.217 1.177 10.296 1.00 0.00 H new ATOM 0 HG LEU A 69 0.216 1.777 12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.413 0.339 13.552 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.052 0.962 12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.483 -0.721 12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.991 -0.088 13.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.024 -1.154 12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.126 0.241 12.492 1.00 0.00 H new ATOM 710 N LEU A 70 -0.885 1.612 7.311 1.00 0.00 N ATOM 711 CA LEU A 70 -0.426 2.102 6.015 1.00 0.00 C ATOM 712 C LEU A 70 -0.487 3.632 5.948 1.00 0.00 C ATOM 713 O LEU A 70 0.496 4.273 5.576 1.00 0.00 O ATOM 714 CB LEU A 70 -1.250 1.487 4.877 1.00 0.00 C ATOM 715 CG LEU A 70 -0.883 0.046 4.510 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.840 -0.496 3.460 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.551 -0.028 4.007 1.00 0.00 C ATOM 0 H LEU A 70 -1.704 1.006 7.270 1.00 0.00 H new ATOM 0 HA LEU A 70 0.614 1.797 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.303 1.517 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.137 2.111 3.990 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.967 -0.568 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.565 -1.521 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.857 -0.479 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.785 0.122 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.794 -1.059 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.659 0.600 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.228 0.322 4.786 1.00 0.00 H new ATOM 729 N PRO A 71 -1.637 4.248 6.307 1.00 0.00 N ATOM 730 CA PRO A 71 -1.781 5.705 6.279 1.00 0.00 C ATOM 731 C PRO A 71 -1.123 6.373 7.481 1.00 0.00 C ATOM 732 O PRO A 71 -1.103 7.599 7.590 1.00 0.00 O ATOM 733 CB PRO A 71 -3.294 5.904 6.320 1.00 0.00 C ATOM 734 CG PRO A 71 -3.801 4.734 7.088 1.00 0.00 C ATOM 735 CD PRO A 71 -2.881 3.585 6.759 1.00 0.00 C ATOM 0 HA PRO A 71 -1.300 6.150 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.558 6.843 6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.718 5.934 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.799 4.940 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.829 4.502 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.704 2.952 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.300 2.947 5.981 1.00 0.00 H new ATOM 743 N GLU A 72 -0.585 5.555 8.381 1.00 0.00 N ATOM 744 CA GLU A 72 0.073 6.060 9.581 1.00 0.00 C ATOM 745 C GLU A 72 1.564 6.275 9.338 1.00 0.00 C ATOM 746 O GLU A 72 2.338 6.446 10.281 1.00 0.00 O ATOM 747 CB GLU A 72 -0.127 5.087 10.743 1.00 0.00 C ATOM 748 CG GLU A 72 -1.587 4.784 11.042 1.00 0.00 C ATOM 749 CD GLU A 72 -2.381 6.028 11.390 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.418 6.395 12.583 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.968 6.634 10.469 1.00 0.00 O ATOM 0 H GLU A 72 -0.592 4.538 8.301 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.378 7.020 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.390 4.154 10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.339 5.501 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.038 4.300 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.645 4.077 11.869 1.00 0.00 H new ATOM 758 N LEU A 73 1.960 6.268 8.069 1.00 0.00 N ATOM 759 CA LEU A 73 3.359 6.459 7.705 1.00 0.00 C ATOM 760 C LEU A 73 3.526 7.669 6.791 1.00 0.00 C ATOM 761 O LEU A 73 2.653 7.969 5.977 1.00 0.00 O ATOM 762 CB LEU A 73 3.902 5.207 7.014 1.00 0.00 C ATOM 763 CG LEU A 73 3.805 3.917 7.832 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.263 2.727 7.004 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.628 4.027 9.107 1.00 0.00 C ATOM 0 H LEU A 73 1.332 6.132 7.277 1.00 0.00 H new ATOM 0 HA LEU A 73 3.924 6.637 8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.363 5.066 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.947 5.378 6.757 1.00 0.00 H new ATOM 0 HG LEU A 73 2.762 3.765 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.188 1.818 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.632 2.634 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.298 2.874 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.546 3.100 9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.673 4.205 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.256 4.855 9.710 1.00 0.00 H new ATOM 777 N CYS A 74 4.653 8.358 6.931 1.00 0.00 N ATOM 778 CA CYS A 74 4.937 9.534 6.117 1.00 0.00 C ATOM 779 C CYS A 74 5.825 9.170 4.931 1.00 0.00 C ATOM 780 O CYS A 74 6.157 8.003 4.728 1.00 0.00 O ATOM 781 CB CYS A 74 5.613 10.614 6.962 1.00 0.00 C ATOM 782 SG CYS A 74 4.635 11.164 8.380 1.00 0.00 S ATOM 0 H CYS A 74 5.385 8.122 7.601 1.00 0.00 H new ATOM 0 HA CYS A 74 3.991 9.920 5.737 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.570 10.234 7.320 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.829 11.474 6.328 1.00 0.00 H new ATOM 0 HG CYS A 74 5.292 12.076 9.033 1.00 0.00 H new ATOM 788 N LEU A 75 6.206 10.177 4.153 1.00 0.00 N ATOM 789 CA LEU A 75 7.056 9.963 2.987 1.00 0.00 C ATOM 790 C LEU A 75 8.418 9.414 3.399 1.00 0.00 C ATOM 791 O LEU A 75 9.163 8.894 2.570 1.00 0.00 O ATOM 792 CB LEU A 75 7.232 11.268 2.203 1.00 0.00 C ATOM 793 CG LEU A 75 6.026 11.701 1.360 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.662 10.626 0.350 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.834 12.024 2.250 1.00 0.00 C ATOM 0 H LEU A 75 5.940 11.149 4.308 1.00 0.00 H new ATOM 0 HA LEU A 75 6.567 9.229 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.465 12.066 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.094 11.162 1.544 1.00 0.00 H new ATOM 0 HG LEU A 75 6.300 12.604 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.804 10.954 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.509 10.448 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.412 9.704 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.990 12.329 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.561 11.140 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.097 12.834 2.930 1.00 0.00 H new ATOM 807 N GLN A 76 8.736 9.535 4.684 1.00 0.00 N ATOM 808 CA GLN A 76 10.007 9.049 5.207 1.00 0.00 C ATOM 809 C GLN A 76 9.921 7.559 5.525 1.00 0.00 C ATOM 810 O GLN A 76 10.745 6.767 5.065 1.00 0.00 O ATOM 811 CB GLN A 76 10.394 9.838 6.463 1.00 0.00 C ATOM 812 CG GLN A 76 11.846 9.659 6.885 1.00 0.00 C ATOM 813 CD GLN A 76 12.090 8.357 7.624 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.411 7.335 7.017 1.00 0.00 O ATOM 815 NE2 GLN A 76 11.941 8.390 8.943 1.00 0.00 N ATOM 0 H GLN A 76 8.130 9.966 5.382 1.00 0.00 H new ATOM 0 HA GLN A 76 10.775 9.195 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.206 10.897 6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.747 9.532 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.483 9.694 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.139 10.493 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.674 9.260 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.094 7.546 9.495 1.00 0.00 H new ATOM 824 N ASP A 77 8.913 7.184 6.307 1.00 0.00 N ATOM 825 CA ASP A 77 8.716 5.790 6.689 1.00 0.00 C ATOM 826 C ASP A 77 8.417 4.921 5.471 1.00 0.00 C ATOM 827 O ASP A 77 8.639 3.710 5.492 1.00 0.00 O ATOM 828 CB ASP A 77 7.578 5.676 7.706 1.00 0.00 C ATOM 829 CG ASP A 77 7.883 6.413 8.996 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.598 7.627 9.066 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.407 5.777 9.935 1.00 0.00 O ATOM 0 H ASP A 77 8.219 7.827 6.689 1.00 0.00 H new ATOM 0 HA ASP A 77 9.640 5.432 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.662 6.075 7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.394 4.624 7.926 1.00 0.00 H new ATOM 836 N CYS A 78 7.911 5.544 4.410 1.00 0.00 N ATOM 837 CA CYS A 78 7.583 4.824 3.185 1.00 0.00 C ATOM 838 C CYS A 78 8.793 4.739 2.261 1.00 0.00 C ATOM 839 O CYS A 78 8.992 3.735 1.577 1.00 0.00 O ATOM 840 CB CYS A 78 6.420 5.506 2.464 1.00 0.00 C ATOM 841 SG CYS A 78 4.882 5.540 3.415 1.00 0.00 S ATOM 0 H CYS A 78 7.720 6.545 4.375 1.00 0.00 H new ATOM 0 HA CYS A 78 7.288 3.811 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.707 6.529 2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.240 4.992 1.520 1.00 0.00 H new ATOM 0 HG CYS A 78 4.907 6.540 4.246 1.00 0.00 H new ATOM 847 N GLN A 79 9.599 5.798 2.241 1.00 0.00 N ATOM 848 CA GLN A 79 10.790 5.831 1.399 1.00 0.00 C ATOM 849 C GLN A 79 11.745 4.705 1.779 1.00 0.00 C ATOM 850 O GLN A 79 12.366 4.086 0.915 1.00 0.00 O ATOM 851 CB GLN A 79 11.500 7.182 1.522 1.00 0.00 C ATOM 852 CG GLN A 79 12.631 7.368 0.523 1.00 0.00 C ATOM 853 CD GLN A 79 13.272 8.739 0.616 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.320 9.345 1.686 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.768 9.237 -0.512 1.00 0.00 N ATOM 0 H GLN A 79 9.449 6.641 2.796 1.00 0.00 H new ATOM 0 HA GLN A 79 10.477 5.693 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.771 7.980 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.898 7.283 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.390 6.604 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.248 7.218 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.707 8.700 -1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.210 10.156 -0.513 1.00 0.00 H new ATOM 864 N ASP A 80 11.855 4.446 3.079 1.00 0.00 N ATOM 865 CA ASP A 80 12.724 3.386 3.576 1.00 0.00 C ATOM 866 C ASP A 80 12.197 2.024 3.140 1.00 0.00 C ATOM 867 O ASP A 80 12.957 1.068 2.986 1.00 0.00 O ATOM 868 CB ASP A 80 12.813 3.445 5.101 1.00 0.00 C ATOM 869 CG ASP A 80 13.744 2.389 5.667 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.272 1.265 5.936 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.945 2.687 5.842 1.00 0.00 O ATOM 0 H ASP A 80 11.353 4.956 3.806 1.00 0.00 H new ATOM 0 HA ASP A 80 13.720 3.530 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.161 4.432 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.818 3.314 5.526 1.00 0.00 H new ATOM 876 N LEU A 81 10.886 1.952 2.946 1.00 0.00 N ATOM 877 CA LEU A 81 10.232 0.721 2.524 1.00 0.00 C ATOM 878 C LEU A 81 10.405 0.501 1.026 1.00 0.00 C ATOM 879 O LEU A 81 10.148 -0.590 0.515 1.00 0.00 O ATOM 880 CB LEU A 81 8.745 0.775 2.884 1.00 0.00 C ATOM 881 CG LEU A 81 8.372 0.189 4.251 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.385 0.589 5.316 1.00 0.00 C ATOM 883 CD2 LEU A 81 6.979 0.645 4.654 1.00 0.00 C ATOM 0 H LEU A 81 10.251 2.739 3.076 1.00 0.00 H new ATOM 0 HA LEU A 81 10.697 -0.116 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.420 1.815 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.184 0.243 2.116 1.00 0.00 H new ATOM 0 HG LEU A 81 8.381 -0.898 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.094 0.159 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.372 0.219 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.415 1.675 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.725 0.223 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.955 1.733 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.256 0.307 3.911 1.00 0.00 H new ATOM 895 N CYS A 82 10.845 1.543 0.329 1.00 0.00 N ATOM 896 CA CYS A 82 11.053 1.468 -1.112 1.00 0.00 C ATOM 897 C CYS A 82 12.535 1.319 -1.442 1.00 0.00 C ATOM 898 O CYS A 82 13.377 1.264 -0.545 1.00 0.00 O ATOM 899 CB CYS A 82 10.487 2.714 -1.793 1.00 0.00 C ATOM 900 SG CYS A 82 8.721 2.972 -1.506 1.00 0.00 S ATOM 0 H CYS A 82 11.065 2.451 0.739 1.00 0.00 H new ATOM 0 HA CYS A 82 10.529 0.589 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.033 3.588 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 82 10.663 2.640 -2.866 1.00 0.00 H new ATOM 0 HG CYS A 82 8.528 3.308 -0.265 1.00 0.00 H new ATOM 906 N ASP A 83 12.846 1.254 -2.734 1.00 0.00 N ATOM 907 CA ASP A 83 14.226 1.108 -3.182 1.00 0.00 C ATOM 908 C ASP A 83 15.084 2.276 -2.708 1.00 0.00 C ATOM 909 O ASP A 83 16.279 2.120 -2.457 1.00 0.00 O ATOM 910 CB ASP A 83 14.282 1.005 -4.708 1.00 0.00 C ATOM 911 CG ASP A 83 15.700 0.871 -5.229 1.00 0.00 C ATOM 912 OD1 ASP A 83 16.182 -0.275 -5.351 1.00 0.00 O ATOM 913 OD2 ASP A 83 16.328 1.912 -5.517 1.00 0.00 O ATOM 0 H ASP A 83 12.161 1.300 -3.488 1.00 0.00 H new ATOM 0 HA ASP A 83 14.624 0.191 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.696 0.145 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.819 1.889 -5.146 1.00 0.00 H new ATOM 918 N GLY A 84 14.466 3.447 -2.586 1.00 0.00 N ATOM 919 CA GLY A 84 15.190 4.623 -2.140 1.00 0.00 C ATOM 920 C GLY A 84 14.733 5.888 -2.841 1.00 0.00 C ATOM 921 O GLY A 84 15.043 6.994 -2.400 1.00 0.00 O ATOM 0 H GLY A 84 13.478 3.602 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.059 4.740 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.256 4.478 -2.317 1.00 0.00 H new ATOM 925 N ASP A 85 13.994 5.724 -3.934 1.00 0.00 N ATOM 926 CA ASP A 85 13.493 6.860 -4.694 1.00 0.00 C ATOM 927 C ASP A 85 12.320 7.518 -3.978 1.00 0.00 C ATOM 928 O ASP A 85 11.420 6.839 -3.486 1.00 0.00 O ATOM 929 CB ASP A 85 13.068 6.414 -6.094 1.00 0.00 C ATOM 930 CG ASP A 85 14.026 6.893 -7.168 1.00 0.00 C ATOM 931 OD1 ASP A 85 15.002 6.170 -7.457 1.00 0.00 O ATOM 932 OD2 ASP A 85 13.798 7.989 -7.721 1.00 0.00 O ATOM 0 H ASP A 85 13.730 4.814 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 85 14.297 7.591 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.008 5.326 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.069 6.794 -6.306 1.00 0.00 H new ATOM 937 N LEU A 86 12.338 8.846 -3.923 1.00 0.00 N ATOM 938 CA LEU A 86 11.276 9.596 -3.264 1.00 0.00 C ATOM 939 C LEU A 86 9.978 9.513 -4.057 1.00 0.00 C ATOM 940 O LEU A 86 8.906 9.306 -3.488 1.00 0.00 O ATOM 941 CB LEU A 86 11.684 11.060 -3.089 1.00 0.00 C ATOM 942 CG LEU A 86 10.661 11.933 -2.359 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.530 11.501 -0.906 1.00 0.00 C ATOM 944 CD2 LEU A 86 11.052 13.399 -2.451 1.00 0.00 C ATOM 0 H LEU A 86 13.075 9.424 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 86 11.112 9.152 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.626 11.096 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.870 11.490 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 86 9.692 11.806 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.798 12.133 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.202 10.462 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.495 11.598 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.314 14.006 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.031 13.544 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.092 13.700 -3.498 1.00 0.00 H new ATOM 956 N ASN A 87 10.083 9.675 -5.374 1.00 0.00 N ATOM 957 CA ASN A 87 8.917 9.620 -6.249 1.00 0.00 C ATOM 958 C ASN A 87 8.139 8.325 -6.035 1.00 0.00 C ATOM 959 O ASN A 87 6.909 8.312 -6.091 1.00 0.00 O ATOM 960 CB ASN A 87 9.346 9.738 -7.712 1.00 0.00 C ATOM 961 CG ASN A 87 9.989 11.076 -8.020 1.00 0.00 C ATOM 962 OD1 ASN A 87 11.205 11.233 -7.913 1.00 0.00 O ATOM 963 ND2 ASN A 87 9.172 12.052 -8.402 1.00 0.00 N ATOM 0 H ASN A 87 10.965 9.845 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 87 8.266 10.458 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.048 8.938 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.477 9.599 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.547 12.975 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.170 11.878 -8.477 1.00 0.00 H new ATOM 970 N LYS A 88 8.866 7.241 -5.787 1.00 0.00 N ATOM 971 CA LYS A 88 8.250 5.938 -5.559 1.00 0.00 C ATOM 972 C LYS A 88 7.348 5.971 -4.327 1.00 0.00 C ATOM 973 O LYS A 88 6.211 5.501 -4.367 1.00 0.00 O ATOM 974 CB LYS A 88 9.328 4.866 -5.391 1.00 0.00 C ATOM 975 CG LYS A 88 8.778 3.485 -5.060 1.00 0.00 C ATOM 976 CD LYS A 88 7.927 2.927 -6.192 1.00 0.00 C ATOM 977 CE LYS A 88 8.779 2.274 -7.273 1.00 0.00 C ATOM 978 NZ LYS A 88 9.658 3.256 -7.966 1.00 0.00 N ATOM 0 H LYS A 88 9.885 7.239 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 88 7.638 5.694 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.911 4.804 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.012 5.173 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.605 2.804 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.181 3.541 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.225 2.196 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.335 3.730 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.393 1.492 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.129 1.792 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.845 2.930 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.187 4.182 -7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.557 3.342 -7.450 1.00 0.00 H new ATOM 992 N ALA A 89 7.867 6.525 -3.234 1.00 0.00 N ATOM 993 CA ALA A 89 7.109 6.617 -1.992 1.00 0.00 C ATOM 994 C ALA A 89 5.872 7.488 -2.168 1.00 0.00 C ATOM 995 O ALA A 89 4.861 7.288 -1.496 1.00 0.00 O ATOM 996 CB ALA A 89 7.983 7.158 -0.872 1.00 0.00 C ATOM 0 H ALA A 89 8.808 6.916 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 89 6.781 5.613 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.400 7.220 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.832 6.492 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.344 8.151 -1.140 1.00 0.00 H new ATOM 1002 N ILE A 90 5.958 8.459 -3.073 1.00 0.00 N ATOM 1003 CA ILE A 90 4.835 9.349 -3.336 1.00 0.00 C ATOM 1004 C ILE A 90 3.652 8.561 -3.882 1.00 0.00 C ATOM 1005 O ILE A 90 2.547 8.635 -3.346 1.00 0.00 O ATOM 1006 CB ILE A 90 5.215 10.467 -4.329 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.361 11.308 -3.761 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.004 11.340 -4.635 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.861 12.378 -4.709 1.00 0.00 C ATOM 0 H ILE A 90 6.789 8.648 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 90 4.558 9.814 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 90 5.550 10.012 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.029 11.781 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.190 10.649 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.289 12.124 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.216 10.728 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.640 11.793 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.672 12.932 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.225 11.912 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.046 13.061 -4.949 1.00 0.00 H new ATOM 1021 N LYS A 91 3.892 7.802 -4.949 1.00 0.00 N ATOM 1022 CA LYS A 91 2.847 6.987 -5.559 1.00 0.00 C ATOM 1023 C LYS A 91 2.273 6.015 -4.535 1.00 0.00 C ATOM 1024 O LYS A 91 1.095 5.663 -4.585 1.00 0.00 O ATOM 1025 CB LYS A 91 3.403 6.217 -6.759 1.00 0.00 C ATOM 1026 CG LYS A 91 3.967 7.113 -7.852 1.00 0.00 C ATOM 1027 CD LYS A 91 2.896 8.004 -8.465 1.00 0.00 C ATOM 1028 CE LYS A 91 1.846 7.191 -9.206 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.448 6.356 -10.282 1.00 0.00 N ATOM 0 H LYS A 91 4.801 7.735 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 91 2.051 7.646 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.186 5.542 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.611 5.598 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.762 7.733 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.416 6.497 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.416 8.589 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.360 8.712 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.319 6.549 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.106 7.863 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.697 6.006 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.120 6.929 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.948 5.549 -9.857 1.00 0.00 H new ATOM 1043 N PHE A 92 3.124 5.585 -3.609 1.00 0.00 N ATOM 1044 CA PHE A 92 2.716 4.663 -2.557 1.00 0.00 C ATOM 1045 C PHE A 92 1.620 5.289 -1.700 1.00 0.00 C ATOM 1046 O PHE A 92 0.495 4.788 -1.645 1.00 0.00 O ATOM 1047 CB PHE A 92 3.930 4.296 -1.695 1.00 0.00 C ATOM 1048 CG PHE A 92 3.664 3.236 -0.665 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.162 1.998 -1.034 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.924 3.478 0.674 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.924 1.021 -0.086 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.688 2.505 1.627 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.188 1.275 1.246 1.00 0.00 C ATOM 0 H PHE A 92 4.105 5.862 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 92 2.317 3.756 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.734 3.957 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.286 5.194 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.954 1.794 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.316 4.438 0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.532 0.060 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.894 2.706 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.004 0.513 1.989 1.00 0.00 H new ATOM 1063 N LYS A 93 1.955 6.396 -1.047 1.00 0.00 N ATOM 1064 CA LYS A 93 1.007 7.105 -0.195 1.00 0.00 C ATOM 1065 C LYS A 93 -0.229 7.530 -0.987 1.00 0.00 C ATOM 1066 O LYS A 93 -1.295 7.755 -0.414 1.00 0.00 O ATOM 1067 CB LYS A 93 1.678 8.330 0.426 1.00 0.00 C ATOM 1068 CG LYS A 93 0.764 9.128 1.339 1.00 0.00 C ATOM 1069 CD LYS A 93 1.544 10.151 2.146 1.00 0.00 C ATOM 1070 CE LYS A 93 0.621 11.004 2.999 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.267 11.862 2.168 1.00 0.00 N ATOM 0 H LYS A 93 2.880 6.823 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 93 0.688 6.429 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.551 8.007 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.038 8.980 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.004 9.634 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.241 8.451 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.264 9.640 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.114 10.791 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.013 10.359 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.216 11.632 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.719 12.579 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.296 12.333 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.999 11.274 1.721 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.081 7.633 -2.306 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.188 8.032 -3.168 1.00 0.00 C ATOM 1087 C ILE A 94 -2.270 6.959 -3.222 1.00 0.00 C ATOM 1088 O ILE A 94 -3.364 7.147 -2.689 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.710 8.341 -4.603 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.025 9.709 -4.651 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.883 8.291 -5.576 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.631 10.016 -5.980 1.00 0.00 C ATOM 0 H ILE A 94 0.792 7.446 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.607 8.939 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 94 0.014 7.583 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.762 10.482 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.729 9.756 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.530 8.511 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.329 7.297 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.630 9.029 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.095 11.001 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.392 9.265 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.121 10.003 -6.769 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.965 5.838 -3.877 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.923 4.746 -4.003 1.00 0.00 C ATOM 1106 C LEU A 95 -3.518 4.390 -2.648 1.00 0.00 C ATOM 1107 O LEU A 95 -4.655 3.922 -2.560 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.258 3.519 -4.632 1.00 0.00 C ATOM 1109 CG LEU A 95 -2.028 3.615 -6.142 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.546 3.510 -6.466 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.812 2.533 -6.870 1.00 0.00 C ATOM 0 H LEU A 95 -1.065 5.665 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.731 5.077 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.298 3.353 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.876 2.644 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.384 4.587 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.403 3.580 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.008 4.321 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.163 2.553 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.637 2.616 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.486 1.552 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.876 2.655 -6.666 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.748 4.623 -1.592 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.205 4.331 -0.243 1.00 0.00 C ATOM 1125 C ILE A 96 -4.176 5.398 0.256 1.00 0.00 C ATOM 1126 O ILE A 96 -5.157 5.089 0.932 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.021 4.210 0.736 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.094 3.074 0.298 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.521 3.975 2.156 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.259 3.102 0.970 1.00 0.00 C ATOM 0 H ILE A 96 -1.807 5.012 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.725 3.374 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.460 5.145 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.576 2.120 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.955 3.126 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.670 3.892 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.149 4.811 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.102 3.053 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.861 2.268 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.762 4.040 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.131 3.019 2.049 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.899 6.654 -0.084 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.752 7.764 0.327 1.00 0.00 C ATOM 1144 C ASN A 97 -6.161 7.589 -0.232 1.00 0.00 C ATOM 1145 O ASN A 97 -7.145 7.680 0.503 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.162 9.095 -0.147 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.895 10.298 0.419 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.094 10.239 0.696 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.176 11.400 0.594 1.00 0.00 N ATOM 0 H ASN A 97 -3.091 6.928 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.805 7.771 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.112 9.146 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.195 9.135 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.614 12.240 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.185 11.406 0.352 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.250 7.338 -1.534 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.537 7.147 -2.192 1.00 0.00 C ATOM 1158 C LYS A 98 -8.198 5.849 -1.737 1.00 0.00 C ATOM 1159 O LYS A 98 -9.425 5.750 -1.698 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.364 7.142 -3.713 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.623 8.494 -4.366 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.693 9.576 -3.832 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.237 9.282 -4.153 1.00 0.00 C ATOM 1164 NZ LYS A 98 -4.336 10.371 -3.682 1.00 0.00 N ATOM 0 H LYS A 98 -5.444 7.262 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.184 7.978 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.350 6.821 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.042 6.405 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.494 8.406 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.658 8.788 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.972 10.538 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.817 9.660 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.945 8.341 -3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.121 9.154 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.391 9.981 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.265 11.105 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.722 10.789 -2.811 1.00 0.00 H new ATOM 1178 N MET A 99 -7.381 4.856 -1.397 1.00 0.00 N ATOM 1179 CA MET A 99 -7.896 3.567 -0.942 1.00 0.00 C ATOM 1180 C MET A 99 -8.730 3.728 0.327 1.00 0.00 C ATOM 1181 O MET A 99 -9.883 3.297 0.382 1.00 0.00 O ATOM 1182 CB MET A 99 -6.743 2.593 -0.690 1.00 0.00 C ATOM 1183 CG MET A 99 -7.202 1.207 -0.264 1.00 0.00 C ATOM 1184 SD MET A 99 -5.834 0.052 -0.053 1.00 0.00 S ATOM 1185 CE MET A 99 -6.710 -1.410 0.498 1.00 0.00 C ATOM 0 H MET A 99 -6.363 4.918 -1.427 1.00 0.00 H new ATOM 0 HA MET A 99 -8.537 3.164 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.146 2.506 -1.598 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.092 3.005 0.081 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.754 1.284 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.893 0.813 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.994 -2.149 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.392 -1.143 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.278 -1.829 -0.333 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.141 4.350 1.345 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.832 4.565 2.613 1.00 0.00 C ATOM 1197 C ARG A 100 -9.904 5.641 2.471 1.00 0.00 C ATOM 1198 O ARG A 100 -10.874 5.667 3.227 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.832 4.964 3.702 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.446 5.050 5.091 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.422 5.493 6.125 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.987 5.536 7.471 1.00 0.00 N ATOM 1203 CZ ARG A 100 -7.582 6.383 8.415 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.626 7.265 8.158 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.139 6.350 9.619 1.00 0.00 N ATOM 0 H ARG A 100 -7.188 4.713 1.317 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.315 3.631 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.017 4.240 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.395 5.930 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.280 5.752 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.852 4.078 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.573 4.810 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.042 6.480 5.860 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.734 4.880 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.197 7.297 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.320 7.912 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.877 5.676 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.829 6.999 10.342 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.720 6.527 1.497 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.672 7.607 1.260 1.00 0.00 C ATOM 1221 C ASP A 101 -11.965 7.073 0.652 1.00 0.00 C ATOM 1222 O ASP A 101 -13.043 7.616 0.893 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.059 8.662 0.338 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.983 9.843 0.117 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.831 9.772 -0.798 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -10.859 10.840 0.859 1.00 0.00 O ATOM 0 H ASP A 101 -8.923 6.519 0.861 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.907 8.065 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.120 9.014 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.820 8.206 -0.623 1.00 0.00 H new