USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 813 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.119 X(o=0.12,f=-0.058) USER MOD Set 2.1: A 30 SER OG : rot -39:sc= 0.231 USER MOD Set 2.2: A 72 SER OG : rot -115:sc= 0.374 USER MOD Set 3.1: A 13 THR OG1 : rot 43:sc= 0.94 USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 0.815 USER MOD Single : A 15 SER OG : rot 180:sc= 0.138 USER MOD Single : A 20 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.38) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 1.31 (180deg=0.42) USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.00257) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 0.813 (180deg=-0.225) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.51) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 69 THR OG1 : rot -27:sc= 0.259 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 110:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.341 USER MOD Single : A 83 THR OG1 : rot -45:sc= 1.26 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -173:sc= -0.424 USER MOD Single : A 87 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 97 GLN : amide:sc= -0.371 K(o=-0.37,f=-1.5) USER MOD Single : A 105 THR OG1 : rot 68:sc= 0.903 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 12.580 5.006 4.877 1.00 0.00 N ATOM 153 CA THR A 13 13.178 3.696 5.061 1.00 0.00 C ATOM 154 C THR A 13 12.074 2.632 4.971 1.00 0.00 C ATOM 155 O THR A 13 11.010 2.823 5.562 1.00 0.00 O ATOM 156 CB THR A 13 13.920 3.620 6.413 1.00 0.00 C ATOM 157 OG1 THR A 13 13.245 4.332 7.437 1.00 0.00 O ATOM 158 CG2 THR A 13 15.309 4.230 6.316 1.00 0.00 C ATOM 0 HA THR A 13 13.915 3.514 4.279 1.00 0.00 H new ATOM 0 HB THR A 13 13.968 2.558 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.283 4.151 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.805 4.161 7.284 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.892 3.690 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.227 5.277 6.024 1.00 0.00 H new ATOM 166 N PRO A 14 12.308 1.492 4.307 1.00 0.00 N ATOM 167 CA PRO A 14 11.296 0.464 4.089 1.00 0.00 C ATOM 168 C PRO A 14 10.744 -0.106 5.398 1.00 0.00 C ATOM 169 O PRO A 14 9.580 -0.488 5.441 1.00 0.00 O ATOM 170 CB PRO A 14 11.944 -0.599 3.196 1.00 0.00 C ATOM 171 CG PRO A 14 13.437 -0.276 3.206 1.00 0.00 C ATOM 172 CD PRO A 14 13.523 1.199 3.583 1.00 0.00 C ATOM 0 HA PRO A 14 10.418 0.884 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.756 -1.602 3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.540 -0.563 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.970 -0.898 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.887 -0.460 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.401 1.395 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.610 1.825 2.695 1.00 0.00 H new ATOM 180 N SER A 15 11.516 -0.120 6.482 1.00 0.00 N ATOM 181 CA SER A 15 11.106 -0.577 7.807 1.00 0.00 C ATOM 182 C SER A 15 10.203 0.425 8.562 1.00 0.00 C ATOM 183 O SER A 15 9.666 0.111 9.629 1.00 0.00 O ATOM 184 CB SER A 15 12.395 -0.916 8.571 1.00 0.00 C ATOM 185 OG SER A 15 13.462 -0.036 8.233 1.00 0.00 O ATOM 0 H SER A 15 12.484 0.200 6.460 1.00 0.00 H new ATOM 0 HA SER A 15 10.470 -1.457 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.206 -0.862 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.688 -1.943 8.351 1.00 0.00 H new ATOM 0 HG SER A 15 14.263 -0.283 8.741 1.00 0.00 H new ATOM 191 N THR A 16 10.002 1.635 8.038 1.00 0.00 N ATOM 192 CA THR A 16 9.075 2.619 8.593 1.00 0.00 C ATOM 193 C THR A 16 7.638 2.084 8.504 1.00 0.00 C ATOM 194 O THR A 16 7.237 1.617 7.444 1.00 0.00 O ATOM 195 CB THR A 16 9.271 3.905 7.778 1.00 0.00 C ATOM 196 OG1 THR A 16 10.561 4.423 8.045 1.00 0.00 O ATOM 197 CG2 THR A 16 8.292 5.010 8.105 1.00 0.00 C ATOM 0 H THR A 16 10.487 1.963 7.203 1.00 0.00 H new ATOM 0 HA THR A 16 9.264 2.819 9.648 1.00 0.00 H new ATOM 0 HB THR A 16 9.120 3.617 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.697 5.244 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.504 5.880 7.483 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.276 4.665 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.389 5.283 9.156 1.00 0.00 H new ATOM 205 N TYR A 17 6.840 2.157 9.576 1.00 0.00 N ATOM 206 CA TYR A 17 5.416 1.809 9.506 1.00 0.00 C ATOM 207 C TYR A 17 4.680 2.868 8.690 1.00 0.00 C ATOM 208 O TYR A 17 5.031 4.041 8.745 1.00 0.00 O ATOM 209 CB TYR A 17 4.782 1.779 10.899 1.00 0.00 C ATOM 210 CG TYR A 17 4.923 0.482 11.660 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.192 -0.080 11.876 1.00 0.00 C ATOM 212 CD2 TYR A 17 3.779 -0.141 12.190 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.323 -1.249 12.655 1.00 0.00 C ATOM 214 CE2 TYR A 17 3.904 -1.293 12.981 1.00 0.00 C ATOM 215 CZ TYR A 17 5.175 -1.854 13.225 1.00 0.00 C ATOM 216 OH TYR A 17 5.253 -2.934 14.050 1.00 0.00 O ATOM 0 H TYR A 17 7.155 2.453 10.500 1.00 0.00 H new ATOM 0 HA TYR A 17 5.336 0.823 9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.224 2.578 11.495 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.721 2.006 10.799 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.068 0.383 11.446 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.801 0.269 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.299 -1.683 12.817 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.023 -1.752 13.405 1.00 0.00 H new ATOM 0 HH TYR A 17 4.352 -3.195 14.334 1.00 0.00 H new ATOM 226 N ILE A 18 3.576 2.513 8.040 1.00 0.00 N ATOM 227 CA ILE A 18 2.796 3.467 7.247 1.00 0.00 C ATOM 228 C ILE A 18 2.252 4.607 8.122 1.00 0.00 C ATOM 229 O ILE A 18 2.268 5.770 7.724 1.00 0.00 O ATOM 230 CB ILE A 18 1.641 2.778 6.492 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.912 1.319 6.080 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.305 3.611 5.246 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.879 1.194 4.916 1.00 0.00 C ATOM 0 H ILE A 18 3.197 1.566 8.045 1.00 0.00 H new ATOM 0 HA ILE A 18 3.475 3.891 6.507 1.00 0.00 H new ATOM 0 HB ILE A 18 0.805 2.729 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.312 0.775 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.969 0.843 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.489 3.137 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.004 4.614 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.183 3.674 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.026 0.141 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.471 1.710 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.835 1.641 5.188 1.00 0.00 H new ATOM 245 N ARG A 19 1.831 4.298 9.354 1.00 0.00 N ATOM 246 CA ARG A 19 1.339 5.304 10.303 1.00 0.00 C ATOM 247 C ARG A 19 2.361 6.403 10.596 1.00 0.00 C ATOM 248 O ARG A 19 1.979 7.497 11.006 1.00 0.00 O ATOM 249 CB ARG A 19 0.891 4.650 11.620 1.00 0.00 C ATOM 250 CG ARG A 19 1.920 3.687 12.235 1.00 0.00 C ATOM 251 CD ARG A 19 1.902 3.709 13.766 1.00 0.00 C ATOM 252 NE ARG A 19 2.335 2.418 14.326 1.00 0.00 N ATOM 253 CZ ARG A 19 1.533 1.409 14.693 1.00 0.00 C ATOM 254 NH1 ARG A 19 0.215 1.504 14.580 1.00 0.00 N ATOM 255 NH2 ARG A 19 2.075 0.305 15.178 1.00 0.00 N ATOM 0 H ARG A 19 1.822 3.346 9.721 1.00 0.00 H new ATOM 0 HA ARG A 19 0.483 5.775 9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.668 5.434 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.037 4.106 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.718 2.674 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.917 3.952 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.556 4.502 14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.896 3.941 14.116 1.00 0.00 H new ATOM 0 HE ARG A 19 3.338 2.279 14.446 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.205 2.356 14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.379 0.725 14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.088 0.231 15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.480 -0.473 15.462 1.00 0.00 H new ATOM 269 N ASN A 20 3.649 6.111 10.420 1.00 0.00 N ATOM 270 CA ASN A 20 4.752 7.008 10.732 1.00 0.00 C ATOM 271 C ASN A 20 4.771 8.225 9.805 1.00 0.00 C ATOM 272 O ASN A 20 5.308 9.268 10.181 1.00 0.00 O ATOM 273 CB ASN A 20 6.046 6.214 10.528 1.00 0.00 C ATOM 274 CG ASN A 20 7.295 6.934 10.981 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.840 7.769 10.271 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.808 6.579 12.138 1.00 0.00 N ATOM 0 H ASN A 20 3.959 5.215 10.044 1.00 0.00 H new ATOM 0 HA ASN A 20 4.645 7.372 11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.969 5.270 11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.145 5.969 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.678 7.002 12.461 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.336 5.881 12.713 1.00 0.00 H new ATOM 283 N LEU A 21 4.251 8.054 8.583 1.00 0.00 N ATOM 284 CA LEU A 21 4.489 8.934 7.447 1.00 0.00 C ATOM 285 C LEU A 21 3.878 10.322 7.671 1.00 0.00 C ATOM 286 O LEU A 21 2.984 10.515 8.502 1.00 0.00 O ATOM 287 CB LEU A 21 3.954 8.271 6.153 1.00 0.00 C ATOM 288 CG LEU A 21 4.621 6.933 5.732 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.238 6.615 4.287 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.143 7.018 5.860 1.00 0.00 C ATOM 0 H LEU A 21 3.635 7.273 8.357 1.00 0.00 H new ATOM 0 HA LEU A 21 5.563 9.084 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.885 8.095 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.068 8.981 5.334 1.00 0.00 H new ATOM 0 HG LEU A 21 4.269 6.140 6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.703 5.677 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.155 6.524 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.583 7.417 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.587 6.069 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.518 7.814 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.410 7.232 6.895 1.00 0.00 H new ATOM 302 N ASN A 22 4.347 11.316 6.909 1.00 0.00 N ATOM 303 CA ASN A 22 3.796 12.668 6.960 1.00 0.00 C ATOM 304 C ASN A 22 2.556 12.740 6.074 1.00 0.00 C ATOM 305 O ASN A 22 2.488 12.046 5.056 1.00 0.00 O ATOM 306 CB ASN A 22 4.851 13.689 6.503 1.00 0.00 C ATOM 307 CG ASN A 22 5.324 14.516 7.686 1.00 0.00 C ATOM 308 OD1 ASN A 22 4.593 15.381 8.160 1.00 0.00 O ATOM 309 ND2 ASN A 22 6.495 14.245 8.224 1.00 0.00 N ATOM 0 H ASN A 22 5.113 11.204 6.245 1.00 0.00 H new ATOM 0 HA ASN A 22 3.515 12.909 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.697 13.172 6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.430 14.342 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.808 14.757 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.089 13.523 7.816 1.00 0.00 H new ATOM 316 N VAL A 23 1.612 13.633 6.386 1.00 0.00 N ATOM 317 CA VAL A 23 0.419 13.830 5.574 1.00 0.00 C ATOM 318 C VAL A 23 0.779 14.269 4.149 1.00 0.00 C ATOM 319 O VAL A 23 0.054 13.926 3.227 1.00 0.00 O ATOM 320 CB VAL A 23 -0.533 14.800 6.301 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.040 16.252 6.311 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.942 14.735 5.715 1.00 0.00 C ATOM 0 H VAL A 23 1.658 14.236 7.208 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.110 12.884 5.453 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.553 14.464 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.760 16.877 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.925 16.305 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.066 16.607 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.590 15.430 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.910 15.006 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.333 13.723 5.818 1.00 0.00 H new ATOM 332 N GLY A 24 1.915 14.938 3.910 1.00 0.00 N ATOM 333 CA GLY A 24 2.345 15.251 2.551 1.00 0.00 C ATOM 334 C GLY A 24 2.639 13.991 1.732 1.00 0.00 C ATOM 335 O GLY A 24 2.448 13.993 0.517 1.00 0.00 O ATOM 0 H GLY A 24 2.546 15.269 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.571 15.834 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.239 15.874 2.589 1.00 0.00 H new ATOM 339 N ILE A 25 3.084 12.909 2.374 1.00 0.00 N ATOM 340 CA ILE A 25 3.404 11.648 1.719 1.00 0.00 C ATOM 341 C ILE A 25 2.110 10.847 1.543 1.00 0.00 C ATOM 342 O ILE A 25 1.916 10.202 0.513 1.00 0.00 O ATOM 343 CB ILE A 25 4.485 10.901 2.512 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.674 11.825 2.848 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.997 9.684 1.726 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.254 12.667 1.703 1.00 0.00 C ATOM 0 H ILE A 25 3.233 12.889 3.383 1.00 0.00 H new ATOM 0 HA ILE A 25 3.823 11.816 0.727 1.00 0.00 H new ATOM 0 HB ILE A 25 4.027 10.564 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.361 12.504 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.476 11.209 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.762 9.171 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.169 9.001 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.423 10.015 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.082 13.269 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.613 12.008 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.480 13.323 1.305 1.00 0.00 H new ATOM 358 N LEU A 26 1.204 10.901 2.527 1.00 0.00 N ATOM 359 CA LEU A 26 -0.147 10.346 2.430 1.00 0.00 C ATOM 360 C LEU A 26 -0.896 11.005 1.265 1.00 0.00 C ATOM 361 O LEU A 26 -1.445 10.294 0.428 1.00 0.00 O ATOM 362 CB LEU A 26 -0.877 10.512 3.778 1.00 0.00 C ATOM 363 CG LEU A 26 -0.473 9.495 4.870 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.171 9.826 6.194 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.828 8.040 4.527 1.00 0.00 C ATOM 0 H LEU A 26 1.395 11.340 3.428 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.102 9.278 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.691 11.518 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.950 10.430 3.605 1.00 0.00 H new ATOM 0 HG LEU A 26 0.611 9.579 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.876 9.101 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.883 10.826 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.251 9.787 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.513 7.387 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.905 7.952 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.318 7.748 3.609 1.00 0.00 H new ATOM 377 N ARG A 27 -0.851 12.337 1.151 1.00 0.00 N ATOM 378 CA ARG A 27 -1.381 13.117 0.035 1.00 0.00 C ATOM 379 C ARG A 27 -0.783 12.653 -1.279 1.00 0.00 C ATOM 380 O ARG A 27 -1.542 12.258 -2.151 1.00 0.00 O ATOM 381 CB ARG A 27 -1.116 14.619 0.230 1.00 0.00 C ATOM 382 CG ARG A 27 -2.073 15.297 1.213 1.00 0.00 C ATOM 383 CD ARG A 27 -3.428 15.601 0.568 1.00 0.00 C ATOM 384 NE ARG A 27 -4.326 16.219 1.551 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.278 17.129 1.326 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.496 17.647 0.121 1.00 0.00 N ATOM 387 NH2 ARG A 27 -6.013 17.538 2.347 1.00 0.00 N ATOM 0 H ARG A 27 -0.424 12.924 1.868 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.459 12.958 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.093 14.754 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.189 15.119 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.219 14.653 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.627 16.223 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.293 16.268 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.872 14.682 0.185 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.210 15.919 2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.926 17.351 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.233 18.340 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.846 17.159 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.746 18.232 2.202 1.00 0.00 H new ATOM 401 N LYS A 28 0.547 12.698 -1.436 1.00 0.00 N ATOM 402 CA LYS A 28 1.218 12.285 -2.673 1.00 0.00 C ATOM 403 C LYS A 28 0.744 10.914 -3.118 1.00 0.00 C ATOM 404 O LYS A 28 0.337 10.740 -4.260 1.00 0.00 O ATOM 405 CB LYS A 28 2.729 12.252 -2.489 1.00 0.00 C ATOM 406 CG LYS A 28 3.336 13.637 -2.675 1.00 0.00 C ATOM 407 CD LYS A 28 3.383 14.093 -4.149 1.00 0.00 C ATOM 408 CE LYS A 28 4.603 14.977 -4.436 1.00 0.00 C ATOM 409 NZ LYS A 28 4.511 16.317 -3.819 1.00 0.00 N ATOM 0 H LYS A 28 1.186 13.021 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 28 0.964 13.019 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.969 11.877 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.170 11.559 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.759 14.359 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.348 13.640 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.408 13.218 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.472 14.642 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.500 14.477 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.717 15.088 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.364 16.865 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.673 16.811 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.431 16.219 -2.787 1.00 0.00 H new ATOM 423 N LEU A 29 0.807 9.939 -2.215 1.00 0.00 N ATOM 424 CA LEU A 29 0.318 8.599 -2.508 1.00 0.00 C ATOM 425 C LEU A 29 -1.142 8.653 -2.943 1.00 0.00 C ATOM 426 O LEU A 29 -1.474 8.122 -3.994 1.00 0.00 O ATOM 427 CB LEU A 29 0.541 7.672 -1.305 1.00 0.00 C ATOM 428 CG LEU A 29 1.883 6.917 -1.364 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.792 5.749 -2.348 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.101 7.784 -1.711 1.00 0.00 C ATOM 0 H LEU A 29 1.191 10.053 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 29 0.885 8.181 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.502 8.261 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.274 6.949 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 29 2.050 6.561 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.747 5.225 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.011 5.061 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.553 6.128 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.997 7.163 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.956 8.239 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.216 8.566 -0.961 1.00 0.00 H new ATOM 442 N SER A 30 -2.009 9.330 -2.198 1.00 0.00 N ATOM 443 CA SER A 30 -3.415 9.470 -2.544 1.00 0.00 C ATOM 444 C SER A 30 -3.661 10.237 -3.845 1.00 0.00 C ATOM 445 O SER A 30 -4.790 10.224 -4.327 1.00 0.00 O ATOM 446 CB SER A 30 -4.122 10.156 -1.377 1.00 0.00 C ATOM 447 OG SER A 30 -5.515 9.923 -1.387 1.00 0.00 O ATOM 0 H SER A 30 -1.752 9.800 -1.330 1.00 0.00 H new ATOM 0 HA SER A 30 -3.816 8.472 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.702 9.797 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.934 11.229 -1.420 1.00 0.00 H new ATOM 0 HG SER A 30 -5.843 9.942 -2.310 1.00 0.00 H new ATOM 453 N ASP A 31 -2.672 10.924 -4.409 1.00 0.00 N ATOM 454 CA ASP A 31 -2.765 11.583 -5.706 1.00 0.00 C ATOM 455 C ASP A 31 -2.561 10.540 -6.815 1.00 0.00 C ATOM 456 O ASP A 31 -3.178 10.636 -7.876 1.00 0.00 O ATOM 457 CB ASP A 31 -1.701 12.696 -5.754 1.00 0.00 C ATOM 458 CG ASP A 31 -1.930 13.798 -6.783 1.00 0.00 C ATOM 459 OD1 ASP A 31 -3.022 13.912 -7.377 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.045 14.678 -6.901 1.00 0.00 O ATOM 0 H ASP A 31 -1.761 11.040 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.746 12.035 -5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.640 13.155 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.733 12.237 -5.953 1.00 0.00 H new ATOM 465 N PHE A 32 -1.725 9.521 -6.552 1.00 0.00 N ATOM 466 CA PHE A 32 -1.252 8.526 -7.520 1.00 0.00 C ATOM 467 C PHE A 32 -2.006 7.189 -7.419 1.00 0.00 C ATOM 468 O PHE A 32 -2.034 6.441 -8.391 1.00 0.00 O ATOM 469 CB PHE A 32 0.252 8.239 -7.297 1.00 0.00 C ATOM 470 CG PHE A 32 1.246 9.396 -7.257 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.907 10.720 -7.611 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.569 9.114 -6.864 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.858 11.751 -7.513 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.527 10.138 -6.793 1.00 0.00 C ATOM 475 CZ PHE A 32 3.170 11.461 -7.099 1.00 0.00 C ATOM 0 H PHE A 32 -1.346 9.365 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.433 8.953 -8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.344 7.698 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.574 7.560 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.091 10.943 -7.960 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.849 8.101 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.581 12.766 -7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.541 9.907 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.900 12.253 -7.017 1.00 0.00 H new ATOM 485 N ILE A 33 -2.573 6.873 -6.251 1.00 0.00 N ATOM 486 CA ILE A 33 -3.226 5.604 -5.904 1.00 0.00 C ATOM 487 C ILE A 33 -4.757 5.726 -5.992 1.00 0.00 C ATOM 488 O ILE A 33 -5.473 4.730 -6.059 1.00 0.00 O ATOM 489 CB ILE A 33 -2.731 5.207 -4.490 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.205 5.006 -4.418 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.384 3.962 -3.883 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.695 3.840 -5.255 1.00 0.00 C ATOM 0 H ILE A 33 -2.590 7.535 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.962 4.818 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.038 6.071 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.712 5.920 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.918 4.847 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.964 3.776 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.459 4.120 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.194 3.102 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.387 3.764 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.158 2.915 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.949 4.005 -6.302 1.00 0.00 H new ATOM 504 N ASP A 34 -5.268 6.956 -6.002 1.00 0.00 N ATOM 505 CA ASP A 34 -6.618 7.309 -6.437 1.00 0.00 C ATOM 506 C ASP A 34 -6.894 6.797 -7.862 1.00 0.00 C ATOM 507 O ASP A 34 -7.813 5.995 -8.020 1.00 0.00 O ATOM 508 CB ASP A 34 -6.785 8.829 -6.281 1.00 0.00 C ATOM 509 CG ASP A 34 -7.788 9.487 -7.226 1.00 0.00 C ATOM 510 OD1 ASP A 34 -8.909 8.971 -7.428 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.489 10.619 -7.668 1.00 0.00 O ATOM 0 H ASP A 34 -4.731 7.767 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.368 6.820 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.089 9.039 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.813 9.299 -6.428 1.00 0.00 H new ATOM 516 N PRO A 35 -6.130 7.205 -8.896 1.00 0.00 N ATOM 517 CA PRO A 35 -6.325 6.695 -10.243 1.00 0.00 C ATOM 518 C PRO A 35 -5.952 5.214 -10.346 1.00 0.00 C ATOM 519 O PRO A 35 -5.322 4.631 -9.459 1.00 0.00 O ATOM 520 CB PRO A 35 -5.470 7.587 -11.148 1.00 0.00 C ATOM 521 CG PRO A 35 -4.351 8.059 -10.234 1.00 0.00 C ATOM 522 CD PRO A 35 -5.054 8.183 -8.890 1.00 0.00 C ATOM 0 HA PRO A 35 -7.372 6.733 -10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.082 7.035 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.045 8.425 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.528 7.345 -10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.933 9.010 -10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.361 7.992 -8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.446 9.190 -8.748 1.00 0.00 H new ATOM 530 N GLN A 36 -6.319 4.624 -11.483 1.00 0.00 N ATOM 531 CA GLN A 36 -6.121 3.224 -11.823 1.00 0.00 C ATOM 532 C GLN A 36 -6.652 2.265 -10.742 1.00 0.00 C ATOM 533 O GLN A 36 -6.184 1.131 -10.712 1.00 0.00 O ATOM 534 CB GLN A 36 -4.638 2.959 -12.183 1.00 0.00 C ATOM 535 CG GLN A 36 -4.084 3.897 -13.268 1.00 0.00 C ATOM 536 CD GLN A 36 -2.689 3.480 -13.734 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.543 2.686 -14.659 1.00 0.00 O ATOM 538 NE2 GLN A 36 -1.639 4.026 -13.148 1.00 0.00 N ATOM 0 H GLN A 36 -6.787 5.141 -12.228 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.720 3.012 -12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.032 3.062 -11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.535 1.928 -12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.763 3.905 -14.121 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.047 4.915 -12.881 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.769 4.685 -12.380 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.698 3.789 -13.463 1.00 0.00 H new ATOM 547 N GLU A 37 -7.594 2.669 -9.867 1.00 0.00 N ATOM 548 CA GLU A 37 -8.085 1.901 -8.714 1.00 0.00 C ATOM 549 C GLU A 37 -6.944 1.376 -7.833 1.00 0.00 C ATOM 550 O GLU A 37 -7.081 0.346 -7.169 1.00 0.00 O ATOM 551 CB GLU A 37 -9.078 0.811 -9.177 1.00 0.00 C ATOM 552 CG GLU A 37 -10.469 1.417 -9.389 1.00 0.00 C ATOM 553 CD GLU A 37 -11.403 0.469 -10.137 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.896 -0.519 -9.548 1.00 0.00 O ATOM 555 OE2 GLU A 37 -11.711 0.723 -11.323 1.00 0.00 O ATOM 0 H GLU A 37 -8.050 3.577 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.642 2.573 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.726 0.358 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.129 0.016 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.906 1.667 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.376 2.349 -9.947 1.00 0.00 H new ATOM 562 N GLY A 38 -5.814 2.088 -7.811 1.00 0.00 N ATOM 563 CA GLY A 38 -4.605 1.685 -7.110 1.00 0.00 C ATOM 564 C GLY A 38 -4.876 1.302 -5.656 1.00 0.00 C ATOM 565 O GLY A 38 -4.339 0.308 -5.172 1.00 0.00 O ATOM 0 H GLY A 38 -5.718 2.981 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.153 0.839 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.882 2.500 -7.140 1.00 0.00 H new ATOM 569 N TRP A 39 -5.730 2.055 -4.959 1.00 0.00 N ATOM 570 CA TRP A 39 -6.097 1.781 -3.579 1.00 0.00 C ATOM 571 C TRP A 39 -6.789 0.429 -3.449 1.00 0.00 C ATOM 572 O TRP A 39 -6.402 -0.382 -2.609 1.00 0.00 O ATOM 573 CB TRP A 39 -6.998 2.892 -3.037 1.00 0.00 C ATOM 574 CG TRP A 39 -8.340 3.056 -3.680 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.626 3.769 -4.794 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.601 2.471 -3.240 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.979 3.677 -5.055 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.643 2.936 -4.093 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.954 1.573 -2.211 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.988 2.594 -3.866 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.290 1.198 -2.001 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.308 1.736 -2.799 1.00 0.00 C ATOM 0 H TRP A 39 -6.188 2.880 -5.347 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.181 1.749 -2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.152 2.714 -1.973 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.462 3.837 -3.127 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.910 4.322 -5.385 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.435 4.104 -5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.183 1.167 -1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.766 2.986 -4.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.534 0.492 -1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.340 1.491 -2.594 1.00 0.00 H new ATOM 593 N LYS A 40 -7.791 0.169 -4.294 1.00 0.00 N ATOM 594 CA LYS A 40 -8.522 -1.090 -4.309 1.00 0.00 C ATOM 595 C LYS A 40 -7.535 -2.226 -4.542 1.00 0.00 C ATOM 596 O LYS A 40 -7.615 -3.254 -3.876 1.00 0.00 O ATOM 597 CB LYS A 40 -9.642 -1.054 -5.380 1.00 0.00 C ATOM 598 CG LYS A 40 -11.017 -0.953 -4.719 1.00 0.00 C ATOM 599 CD LYS A 40 -12.215 -1.179 -5.642 1.00 0.00 C ATOM 600 CE LYS A 40 -12.630 0.083 -6.403 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.614 -0.215 -7.463 1.00 0.00 N ATOM 0 H LYS A 40 -8.117 0.838 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.014 -1.253 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.489 -0.204 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.593 -1.953 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.064 -1.680 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.111 0.035 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.972 -1.965 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.059 -1.535 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.054 0.805 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.749 0.547 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.154 0.645 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.117 -0.544 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.265 -0.956 -7.134 1.00 0.00 H new ATOM 615 N LYS A 41 -6.573 -2.032 -5.442 1.00 0.00 N ATOM 616 CA LYS A 41 -5.624 -3.056 -5.850 1.00 0.00 C ATOM 617 C LYS A 41 -4.680 -3.370 -4.699 1.00 0.00 C ATOM 618 O LYS A 41 -4.466 -4.539 -4.389 1.00 0.00 O ATOM 619 CB LYS A 41 -4.892 -2.592 -7.105 1.00 0.00 C ATOM 620 CG LYS A 41 -5.847 -2.537 -8.299 1.00 0.00 C ATOM 621 CD LYS A 41 -5.444 -1.456 -9.292 1.00 0.00 C ATOM 622 CE LYS A 41 -4.608 -1.967 -10.463 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.889 -1.158 -11.660 1.00 0.00 N ATOM 0 H LYS A 41 -6.432 -1.139 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.142 -3.983 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.457 -1.607 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.068 -3.271 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.860 -3.505 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.861 -2.347 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.345 -0.982 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.880 -0.686 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.548 -1.914 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.838 -3.015 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.024 -1.071 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.631 -1.619 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.211 -0.212 -11.372 1.00 0.00 H new ATOM 637 N LEU A 42 -4.147 -2.344 -4.032 1.00 0.00 N ATOM 638 CA LEU A 42 -3.342 -2.474 -2.834 1.00 0.00 C ATOM 639 C LEU A 42 -4.107 -3.246 -1.764 1.00 0.00 C ATOM 640 O LEU A 42 -3.621 -4.272 -1.292 1.00 0.00 O ATOM 641 CB LEU A 42 -2.918 -1.060 -2.421 1.00 0.00 C ATOM 642 CG LEU A 42 -1.829 -0.904 -1.342 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.401 -0.268 -0.079 1.00 0.00 C ATOM 644 CD2 LEU A 42 -1.041 -2.158 -0.944 1.00 0.00 C ATOM 0 H LEU A 42 -4.272 -1.375 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.438 -3.060 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.574 -0.542 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.808 -0.536 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.102 -0.261 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.613 -0.169 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.802 0.717 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.198 -0.898 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.310 -1.900 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.727 -2.910 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.525 -2.556 -1.818 1.00 0.00 H new ATOM 656 N ALA A 43 -5.331 -2.821 -1.448 1.00 0.00 N ATOM 657 CA ALA A 43 -6.182 -3.492 -0.479 1.00 0.00 C ATOM 658 C ALA A 43 -6.308 -4.990 -0.769 1.00 0.00 C ATOM 659 O ALA A 43 -6.040 -5.801 0.114 1.00 0.00 O ATOM 660 CB ALA A 43 -7.550 -2.819 -0.433 1.00 0.00 C ATOM 0 H ALA A 43 -5.758 -1.994 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.714 -3.402 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.181 -3.328 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.432 -1.775 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.015 -2.873 -1.417 1.00 0.00 H new ATOM 666 N VAL A 44 -6.698 -5.389 -1.983 1.00 0.00 N ATOM 667 CA VAL A 44 -6.897 -6.795 -2.299 1.00 0.00 C ATOM 668 C VAL A 44 -5.565 -7.554 -2.399 1.00 0.00 C ATOM 669 O VAL A 44 -5.536 -8.781 -2.272 1.00 0.00 O ATOM 670 CB VAL A 44 -7.744 -6.927 -3.577 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.112 -6.242 -3.434 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.054 -6.440 -4.855 1.00 0.00 C ATOM 0 H VAL A 44 -6.881 -4.753 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.444 -7.262 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.884 -8.002 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.676 -6.360 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.663 -6.698 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.968 -5.181 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.725 -6.572 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.801 -5.385 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.144 -7.017 -5.020 1.00 0.00 H new ATOM 682 N ALA A 45 -4.448 -6.863 -2.637 1.00 0.00 N ATOM 683 CA ALA A 45 -3.129 -7.478 -2.622 1.00 0.00 C ATOM 684 C ALA A 45 -2.685 -7.773 -1.191 1.00 0.00 C ATOM 685 O ALA A 45 -1.965 -8.747 -0.983 1.00 0.00 O ATOM 686 CB ALA A 45 -2.124 -6.574 -3.334 1.00 0.00 C ATOM 0 H ALA A 45 -4.437 -5.864 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.178 -8.428 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.139 -7.041 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.438 -6.424 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.077 -5.611 -2.825 1.00 0.00 H new ATOM 692 N ILE A 46 -3.113 -6.979 -0.213 1.00 0.00 N ATOM 693 CA ILE A 46 -2.805 -7.202 1.187 1.00 0.00 C ATOM 694 C ILE A 46 -3.566 -8.438 1.661 1.00 0.00 C ATOM 695 O ILE A 46 -4.790 -8.411 1.801 1.00 0.00 O ATOM 696 CB ILE A 46 -3.123 -5.933 2.000 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.164 -4.789 1.617 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.967 -6.218 3.494 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.743 -3.408 1.950 1.00 0.00 C ATOM 0 H ILE A 46 -3.690 -6.154 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.743 -7.397 1.334 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.149 -5.638 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.218 -4.920 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.947 -4.842 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.194 -5.316 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.653 -7.013 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.943 -6.529 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.030 -2.635 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.676 -3.263 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.935 -3.343 3.021 1.00 0.00 H new ATOM 711 N LYS A 47 -2.848 -9.527 1.941 1.00 0.00 N ATOM 712 CA LYS A 47 -3.412 -10.686 2.637 1.00 0.00 C ATOM 713 C LYS A 47 -2.829 -10.752 4.048 1.00 0.00 C ATOM 714 O LYS A 47 -1.867 -10.053 4.366 1.00 0.00 O ATOM 715 CB LYS A 47 -3.180 -11.991 1.846 1.00 0.00 C ATOM 716 CG LYS A 47 -4.219 -12.220 0.724 1.00 0.00 C ATOM 717 CD LYS A 47 -4.063 -11.370 -0.542 1.00 0.00 C ATOM 718 CE LYS A 47 -2.725 -11.696 -1.216 1.00 0.00 C ATOM 719 NZ LYS A 47 -2.518 -11.013 -2.499 1.00 0.00 N ATOM 0 H LYS A 47 -1.864 -9.631 1.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.493 -10.571 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.182 -11.970 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.208 -12.835 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.182 -13.270 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.211 -12.037 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.886 -11.568 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.106 -10.311 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.914 -11.427 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.664 -12.772 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.853 -11.561 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.427 -10.929 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.128 -10.064 -2.328 1.00 0.00 H new ATOM 733 N LYS A 48 -3.480 -11.516 4.926 1.00 0.00 N ATOM 734 CA LYS A 48 -3.061 -11.727 6.307 1.00 0.00 C ATOM 735 C LYS A 48 -1.688 -12.384 6.299 1.00 0.00 C ATOM 736 O LYS A 48 -1.369 -13.050 5.317 1.00 0.00 O ATOM 737 CB LYS A 48 -4.048 -12.673 7.012 1.00 0.00 C ATOM 738 CG LYS A 48 -5.419 -12.070 7.324 1.00 0.00 C ATOM 739 CD LYS A 48 -6.027 -12.871 8.483 1.00 0.00 C ATOM 740 CE LYS A 48 -7.493 -12.521 8.677 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.146 -13.457 9.607 1.00 0.00 N ATOM 0 H LYS A 48 -4.336 -12.017 4.687 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.032 -10.771 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.190 -13.555 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.598 -13.013 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.322 -11.019 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.065 -12.115 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.927 -13.938 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.476 -12.665 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.579 -11.504 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.005 -12.543 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.146 -13.193 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.084 -14.423 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.671 -13.416 10.531 1.00 0.00 H new ATOM 755 N PRO A 49 -0.969 -12.397 7.433 1.00 0.00 N ATOM 756 CA PRO A 49 0.237 -13.190 7.591 1.00 0.00 C ATOM 757 C PRO A 49 -0.030 -14.709 7.577 1.00 0.00 C ATOM 758 O PRO A 49 0.880 -15.488 7.851 1.00 0.00 O ATOM 759 CB PRO A 49 0.894 -12.706 8.888 1.00 0.00 C ATOM 760 CG PRO A 49 -0.047 -11.670 9.490 1.00 0.00 C ATOM 761 CD PRO A 49 -1.346 -11.848 8.727 1.00 0.00 C ATOM 0 HA PRO A 49 0.906 -13.047 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.049 -13.536 9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.873 -12.271 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.188 -11.835 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.347 -10.660 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.022 -12.520 9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.867 -10.897 8.613 1.00 0.00 H new ATOM 769 N SER A 50 -1.283 -15.156 7.391 1.00 0.00 N ATOM 770 CA SER A 50 -1.641 -16.545 7.132 1.00 0.00 C ATOM 771 C SER A 50 -1.929 -16.775 5.634 1.00 0.00 C ATOM 772 O SER A 50 -1.786 -17.906 5.166 1.00 0.00 O ATOM 773 CB SER A 50 -2.835 -16.913 8.028 1.00 0.00 C ATOM 774 OG SER A 50 -3.085 -18.298 7.989 1.00 0.00 O ATOM 0 H SER A 50 -2.093 -14.536 7.419 1.00 0.00 H new ATOM 0 HA SER A 50 -0.806 -17.202 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.633 -16.605 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.722 -16.370 7.700 1.00 0.00 H new ATOM 0 HG SER A 50 -3.847 -18.509 8.567 1.00 0.00 H new ATOM 780 N GLY A 51 -2.278 -15.730 4.872 1.00 0.00 N ATOM 781 CA GLY A 51 -2.655 -15.789 3.461 1.00 0.00 C ATOM 782 C GLY A 51 -4.117 -15.409 3.183 1.00 0.00 C ATOM 783 O GLY A 51 -4.500 -15.363 2.017 1.00 0.00 O ATOM 0 H GLY A 51 -2.305 -14.780 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.004 -15.123 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.477 -16.799 3.091 1.00 0.00 H new ATOM 787 N ASP A 52 -4.926 -15.129 4.211 1.00 0.00 N ATOM 788 CA ASP A 52 -6.355 -14.801 4.094 1.00 0.00 C ATOM 789 C ASP A 52 -6.608 -13.374 3.618 1.00 0.00 C ATOM 790 O ASP A 52 -5.724 -12.524 3.687 1.00 0.00 O ATOM 791 CB ASP A 52 -7.056 -14.982 5.440 1.00 0.00 C ATOM 792 CG ASP A 52 -7.014 -16.425 5.891 1.00 0.00 C ATOM 793 OD1 ASP A 52 -6.011 -16.810 6.529 1.00 0.00 O ATOM 794 OD2 ASP A 52 -7.932 -17.193 5.524 1.00 0.00 O ATOM 0 H ASP A 52 -4.597 -15.124 5.176 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.755 -15.486 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.578 -14.350 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.092 -14.654 5.360 1.00 0.00 H new ATOM 799 N ASP A 53 -7.838 -13.078 3.206 1.00 0.00 N ATOM 800 CA ASP A 53 -8.305 -11.764 2.790 1.00 0.00 C ATOM 801 C ASP A 53 -8.311 -10.814 4.001 1.00 0.00 C ATOM 802 O ASP A 53 -9.229 -10.859 4.824 1.00 0.00 O ATOM 803 CB ASP A 53 -9.745 -11.844 2.247 1.00 0.00 C ATOM 804 CG ASP A 53 -9.977 -12.614 0.949 1.00 0.00 C ATOM 805 OD1 ASP A 53 -9.702 -12.071 -0.143 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.508 -13.749 0.977 1.00 0.00 O ATOM 0 H ASP A 53 -8.571 -13.786 3.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.637 -11.399 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.369 -12.294 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.104 -10.825 2.100 1.00 0.00 H new ATOM 811 N ARG A 54 -7.327 -9.916 4.153 1.00 0.00 N ATOM 812 CA ARG A 54 -7.458 -8.797 5.100 1.00 0.00 C ATOM 813 C ARG A 54 -8.742 -8.019 4.845 1.00 0.00 C ATOM 814 O ARG A 54 -9.517 -7.786 5.772 1.00 0.00 O ATOM 815 CB ARG A 54 -6.255 -7.841 5.079 1.00 0.00 C ATOM 816 CG ARG A 54 -5.006 -8.504 5.658 1.00 0.00 C ATOM 817 CD ARG A 54 -4.098 -7.544 6.443 1.00 0.00 C ATOM 818 NE ARG A 54 -3.748 -8.082 7.765 1.00 0.00 N ATOM 819 CZ ARG A 54 -4.491 -8.034 8.875 1.00 0.00 C ATOM 820 NH1 ARG A 54 -5.696 -7.469 8.858 1.00 0.00 N ATOM 821 NH2 ARG A 54 -4.043 -8.564 10.004 1.00 0.00 N ATOM 0 H ARG A 54 -6.445 -9.940 3.642 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.493 -9.246 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.059 -7.523 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.491 -6.944 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.311 -9.319 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.432 -8.948 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.187 -7.358 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.601 -6.584 6.563 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.841 -8.541 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.059 -7.068 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.256 -7.437 9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.127 -9.012 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.614 -8.524 10.848 1.00 0.00 H new ATOM 835 N TYR A 55 -9.004 -7.631 3.600 1.00 0.00 N ATOM 836 CA TYR A 55 -10.141 -6.803 3.260 1.00 0.00 C ATOM 837 C TYR A 55 -10.998 -7.549 2.251 1.00 0.00 C ATOM 838 O TYR A 55 -10.457 -8.176 1.333 1.00 0.00 O ATOM 839 CB TYR A 55 -9.649 -5.466 2.702 1.00 0.00 C ATOM 840 CG TYR A 55 -8.591 -4.764 3.541 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.947 -4.014 4.678 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.238 -4.854 3.165 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.958 -3.342 5.418 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.248 -4.181 3.897 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.606 -3.411 5.023 1.00 0.00 C ATOM 846 OH TYR A 55 -5.653 -2.743 5.724 1.00 0.00 O ATOM 0 H TYR A 55 -8.426 -7.887 2.799 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.745 -6.593 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.246 -5.634 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.504 -4.799 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.982 -3.955 4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.959 -5.446 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.235 -2.771 6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.213 -4.253 3.598 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.776 -2.900 5.316 1.00 0.00 H new ATOM 856 N ASN A 56 -12.322 -7.452 2.393 1.00 0.00 N ATOM 857 CA ASN A 56 -13.276 -7.841 1.364 1.00 0.00 C ATOM 858 C ASN A 56 -14.114 -6.635 0.974 1.00 0.00 C ATOM 859 O ASN A 56 -14.063 -5.582 1.611 1.00 0.00 O ATOM 860 CB ASN A 56 -14.151 -9.028 1.799 1.00 0.00 C ATOM 861 CG ASN A 56 -13.446 -10.338 1.494 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.676 -10.827 2.307 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.681 -10.930 0.337 1.00 0.00 N ATOM 0 H ASN A 56 -12.763 -7.095 3.241 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.722 -8.185 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.364 -8.961 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.109 -8.993 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.217 -11.809 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.327 -10.508 -0.330 1.00 0.00 H new ATOM 870 N GLN A 57 -14.965 -6.850 -0.024 1.00 0.00 N ATOM 871 CA GLN A 57 -15.877 -5.906 -0.649 1.00 0.00 C ATOM 872 C GLN A 57 -16.744 -5.107 0.340 1.00 0.00 C ATOM 873 O GLN A 57 -17.170 -3.998 0.020 1.00 0.00 O ATOM 874 CB GLN A 57 -16.754 -6.689 -1.636 1.00 0.00 C ATOM 875 CG GLN A 57 -15.937 -7.237 -2.817 1.00 0.00 C ATOM 876 CD GLN A 57 -15.893 -6.247 -3.976 1.00 0.00 C ATOM 877 OE1 GLN A 57 -15.071 -5.338 -3.999 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.786 -6.395 -4.938 1.00 0.00 N ATOM 0 H GLN A 57 -15.038 -7.773 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.278 -5.150 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.238 -7.515 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.546 -6.041 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.922 -7.457 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.373 -8.177 -3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.459 -7.160 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.802 -5.744 -5.723 1.00 0.00 H new ATOM 887 N PHE A 58 -16.996 -5.636 1.541 1.00 0.00 N ATOM 888 CA PHE A 58 -17.657 -4.928 2.637 1.00 0.00 C ATOM 889 C PHE A 58 -16.838 -3.699 3.060 1.00 0.00 C ATOM 890 O PHE A 58 -17.343 -2.579 3.127 1.00 0.00 O ATOM 891 CB PHE A 58 -17.818 -5.924 3.802 1.00 0.00 C ATOM 892 CG PHE A 58 -18.522 -5.439 5.060 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.559 -4.484 5.009 1.00 0.00 C ATOM 894 CD2 PHE A 58 -18.187 -6.025 6.296 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.260 -4.134 6.176 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.900 -5.690 7.459 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.941 -4.748 7.398 1.00 0.00 C ATOM 0 H PHE A 58 -16.739 -6.593 1.782 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.635 -4.561 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.362 -6.791 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.824 -6.269 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.816 -4.019 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -17.376 -6.737 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.044 -3.393 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.648 -6.156 8.400 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.495 -4.496 8.290 1.00 0.00 H new ATOM 907 N HIS A 59 -15.551 -3.904 3.337 1.00 0.00 N ATOM 908 CA HIS A 59 -14.654 -2.882 3.861 1.00 0.00 C ATOM 909 C HIS A 59 -14.272 -1.904 2.738 1.00 0.00 C ATOM 910 O HIS A 59 -14.216 -0.694 2.936 1.00 0.00 O ATOM 911 CB HIS A 59 -13.446 -3.570 4.517 1.00 0.00 C ATOM 912 CG HIS A 59 -13.793 -4.673 5.501 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.995 -5.748 5.830 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.954 -4.794 6.223 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.692 -6.528 6.668 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.886 -5.986 6.950 1.00 0.00 N ATOM 0 H HIS A 59 -15.096 -4.806 3.199 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.141 -2.286 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.815 -3.988 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.854 -2.815 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.775 -4.092 6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.339 -7.469 7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.601 -6.367 7.570 1.00 0.00 H new ATOM 924 N ILE A 60 -14.123 -2.413 1.513 1.00 0.00 N ATOM 925 CA ILE A 60 -13.933 -1.611 0.310 1.00 0.00 C ATOM 926 C ILE A 60 -15.103 -0.649 0.111 1.00 0.00 C ATOM 927 O ILE A 60 -14.881 0.535 -0.139 1.00 0.00 O ATOM 928 CB ILE A 60 -13.722 -2.559 -0.888 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.432 -3.386 -0.724 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.749 -1.864 -2.254 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.126 -2.584 -0.709 1.00 0.00 C ATOM 0 H ILE A 60 -14.132 -3.416 1.330 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.045 -0.986 0.406 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.582 -3.229 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.500 -3.951 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.382 -4.112 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.593 -2.602 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.715 -1.380 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.958 -1.115 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.283 -3.264 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.022 -2.040 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.143 -1.877 0.120 1.00 0.00 H new ATOM 943 N ARG A 61 -16.350 -1.117 0.229 1.00 0.00 N ATOM 944 CA ARG A 61 -17.505 -0.230 0.108 1.00 0.00 C ATOM 945 C ARG A 61 -17.502 0.835 1.206 1.00 0.00 C ATOM 946 O ARG A 61 -17.926 1.963 0.944 1.00 0.00 O ATOM 947 CB ARG A 61 -18.800 -1.044 0.158 1.00 0.00 C ATOM 948 CG ARG A 61 -19.164 -1.683 -1.191 1.00 0.00 C ATOM 949 CD ARG A 61 -19.575 -0.696 -2.300 1.00 0.00 C ATOM 950 NE ARG A 61 -20.999 -0.789 -2.682 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.078 -0.495 -1.942 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.955 -0.079 -0.689 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.299 -0.624 -2.450 1.00 0.00 N ATOM 0 H ARG A 61 -16.581 -2.095 0.406 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.443 0.281 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.701 -1.828 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.616 -0.397 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.310 -2.262 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.982 -2.386 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.363 0.320 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.959 -0.877 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.185 -1.119 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.029 0.022 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.787 0.140 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.421 -0.949 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.115 -0.398 -1.881 1.00 0.00 H new ATOM 967 N ARG A 62 -17.020 0.498 2.408 1.00 0.00 N ATOM 968 CA ARG A 62 -16.818 1.426 3.513 1.00 0.00 C ATOM 969 C ARG A 62 -15.912 2.565 3.063 1.00 0.00 C ATOM 970 O ARG A 62 -16.267 3.726 3.249 1.00 0.00 O ATOM 971 CB ARG A 62 -16.235 0.680 4.734 1.00 0.00 C ATOM 972 CG ARG A 62 -16.965 0.942 6.057 1.00 0.00 C ATOM 973 CD ARG A 62 -17.915 -0.191 6.488 1.00 0.00 C ATOM 974 NE ARG A 62 -17.835 -0.418 7.945 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.614 -1.577 8.578 1.00 0.00 C ATOM 976 NH1 ARG A 62 -17.675 -2.738 7.936 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.316 -1.576 9.872 1.00 0.00 N ATOM 0 H ARG A 62 -16.753 -0.459 2.640 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.774 1.853 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.254 -0.391 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.189 0.964 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.226 1.100 6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.536 1.866 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.938 0.061 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.658 -1.108 5.958 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.963 0.403 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.894 -2.759 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.503 -3.609 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.256 -0.694 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.147 -2.457 10.357 1.00 0.00 H new ATOM 991 N PHE A 63 -14.769 2.251 2.448 1.00 0.00 N ATOM 992 CA PHE A 63 -13.870 3.256 1.897 1.00 0.00 C ATOM 993 C PHE A 63 -14.525 4.047 0.770 1.00 0.00 C ATOM 994 O PHE A 63 -14.477 5.274 0.797 1.00 0.00 O ATOM 995 CB PHE A 63 -12.566 2.596 1.434 1.00 0.00 C ATOM 996 CG PHE A 63 -11.635 2.103 2.531 1.00 0.00 C ATOM 997 CD1 PHE A 63 -11.533 2.749 3.782 1.00 0.00 C ATOM 998 CD2 PHE A 63 -10.781 1.026 2.244 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.553 2.357 4.710 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -9.764 0.682 3.148 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.642 1.343 4.380 1.00 0.00 C ATOM 0 H PHE A 63 -14.445 1.292 2.320 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.637 3.972 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.819 1.751 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.021 3.311 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -12.213 3.551 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.906 0.464 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.501 2.836 5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.066 -0.102 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.854 1.073 5.068 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.159 3.387 -0.199 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.814 4.056 -1.320 1.00 0.00 C ATOM 1013 C GLU A 64 -16.763 5.136 -0.809 1.00 0.00 C ATOM 1014 O GLU A 64 -16.748 6.251 -1.315 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.635 3.084 -2.172 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.824 2.230 -3.137 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.723 1.808 -4.287 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.521 0.875 -4.090 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.699 2.471 -5.355 1.00 0.00 O ATOM 0 H GLU A 64 -15.232 2.370 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.020 4.487 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.193 2.424 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.367 3.655 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.969 2.792 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.429 1.353 -2.625 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.566 4.834 0.216 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.538 5.775 0.754 1.00 0.00 C ATOM 1028 C ALA A 65 -17.895 7.076 1.248 1.00 0.00 C ATOM 1029 O ALA A 65 -18.594 8.080 1.364 1.00 0.00 O ATOM 1030 CB ALA A 65 -19.310 5.092 1.879 1.00 0.00 C ATOM 0 H ALA A 65 -17.556 3.931 0.691 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.216 6.061 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -20.042 5.786 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.823 4.214 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.617 4.787 2.663 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.588 7.070 1.523 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.793 8.237 1.871 1.00 0.00 C ATOM 1038 C LEU A 66 -15.394 9.000 0.607 1.00 0.00 C ATOM 1039 O LEU A 66 -15.565 10.212 0.549 1.00 0.00 O ATOM 1040 CB LEU A 66 -14.525 7.825 2.625 1.00 0.00 C ATOM 1041 CG LEU A 66 -14.733 6.848 3.774 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -13.354 6.382 4.236 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -15.501 7.552 4.897 1.00 0.00 C ATOM 0 H LEU A 66 -16.037 6.212 1.507 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.399 8.877 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.829 7.380 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.048 8.724 3.017 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.319 5.981 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.465 5.679 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.839 5.893 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.772 7.242 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.654 6.858 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.929 8.412 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.468 7.888 4.522 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.873 8.320 -0.427 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.452 8.966 -1.672 1.00 0.00 C ATOM 1057 C LEU A 67 -15.641 9.605 -2.382 1.00 0.00 C ATOM 1058 O LEU A 67 -15.487 10.613 -3.064 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.641 7.991 -2.554 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.335 7.105 -3.608 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.621 7.827 -4.930 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.442 5.897 -3.936 1.00 0.00 C ATOM 0 H LEU A 67 -14.734 7.310 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.772 9.785 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.892 8.584 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.104 7.323 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.287 6.812 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.110 7.140 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.273 8.681 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.684 8.174 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.934 5.272 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.487 6.246 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.270 5.315 -3.031 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.840 9.076 -2.144 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.102 9.615 -2.623 1.00 0.00 C ATOM 1076 C GLN A 68 -18.416 10.999 -2.011 1.00 0.00 C ATOM 1077 O GLN A 68 -19.171 11.761 -2.617 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.199 8.575 -2.323 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.998 7.256 -3.104 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.650 7.230 -4.484 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.803 7.599 -4.657 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.983 6.697 -5.492 1.00 0.00 N ATOM 0 H GLN A 68 -16.958 8.228 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.047 9.790 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.210 8.362 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.172 8.997 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.929 7.076 -3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.399 6.433 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.021 6.386 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.430 6.597 -6.403 1.00 0.00 H new ATOM 1091 N THR A 69 -17.804 11.356 -0.874 1.00 0.00 N ATOM 1092 CA THR A 69 -17.820 12.675 -0.224 1.00 0.00 C ATOM 1093 C THR A 69 -16.400 13.307 -0.272 1.00 0.00 C ATOM 1094 O THR A 69 -16.138 14.359 0.312 1.00 0.00 O ATOM 1095 CB THR A 69 -18.496 12.548 1.170 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.524 13.760 1.898 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.853 11.513 2.096 1.00 0.00 C ATOM 0 H THR A 69 -17.246 10.685 -0.347 1.00 0.00 H new ATOM 0 HA THR A 69 -18.437 13.397 -0.759 1.00 0.00 H new ATOM 0 HB THR A 69 -19.504 12.231 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.773 14.326 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.388 11.492 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.901 10.529 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.811 11.780 2.273 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.469 12.694 -1.013 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.136 13.193 -1.319 1.00 0.00 C ATOM 1107 C GLY A 70 -13.035 12.674 -0.396 1.00 0.00 C ATOM 1108 O GLY A 70 -11.858 12.815 -0.743 1.00 0.00 O ATOM 0 H GLY A 70 -15.643 11.783 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.888 12.923 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.150 14.282 -1.270 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.356 12.085 0.764 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.357 11.652 1.726 1.00 0.00 C ATOM 1114 C LYS A 71 -11.560 10.471 1.177 1.00 0.00 C ATOM 1115 O LYS A 71 -12.120 9.423 0.843 1.00 0.00 O ATOM 1116 CB LYS A 71 -13.030 11.340 3.063 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.411 12.621 3.825 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.451 12.401 5.342 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.017 12.203 5.833 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.896 12.271 7.301 1.00 0.00 N ATOM 0 H LYS A 71 -14.316 11.900 1.053 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.641 12.455 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.924 10.742 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.359 10.739 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.693 13.408 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.386 12.968 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.908 13.257 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.060 11.530 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.651 11.236 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.377 12.964 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.903 12.130 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.217 13.203 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.483 11.528 7.732 1.00 0.00 H new ATOM 1134 N SER A 72 -10.248 10.668 1.102 1.00 0.00 N ATOM 1135 CA SER A 72 -9.287 9.799 0.449 1.00 0.00 C ATOM 1136 C SER A 72 -9.326 8.335 0.892 1.00 0.00 C ATOM 1137 O SER A 72 -9.001 8.060 2.050 1.00 0.00 O ATOM 1138 CB SER A 72 -7.893 10.332 0.748 1.00 0.00 C ATOM 1139 OG SER A 72 -7.646 11.458 -0.047 1.00 0.00 O ATOM 0 H SER A 72 -9.806 11.486 1.521 1.00 0.00 H new ATOM 0 HA SER A 72 -9.545 9.808 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.810 10.593 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.147 9.562 0.550 1.00 0.00 H new ATOM 0 HG SER A 72 -6.914 11.265 -0.669 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.529 7.385 -0.039 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.411 5.967 0.269 1.00 0.00 C ATOM 1147 C PRO A 73 -7.968 5.616 0.552 1.00 0.00 C ATOM 1148 O PRO A 73 -7.718 4.833 1.462 1.00 0.00 O ATOM 1149 CB PRO A 73 -9.929 5.212 -0.966 1.00 0.00 C ATOM 1150 CG PRO A 73 -9.890 6.226 -2.106 1.00 0.00 C ATOM 1151 CD PRO A 73 -9.918 7.594 -1.433 1.00 0.00 C ATOM 0 HA PRO A 73 -9.986 5.698 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.304 4.347 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.941 4.841 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.991 6.104 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.742 6.099 -2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.232 8.282 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.913 8.036 -1.495 1.00 0.00 H new ATOM 1159 N THR A 74 -7.017 6.192 -0.189 1.00 0.00 N ATOM 1160 CA THR A 74 -5.618 5.841 -0.018 1.00 0.00 C ATOM 1161 C THR A 74 -5.169 6.207 1.392 1.00 0.00 C ATOM 1162 O THR A 74 -4.577 5.373 2.071 1.00 0.00 O ATOM 1163 CB THR A 74 -4.757 6.554 -1.062 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.196 6.269 -2.373 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.280 6.172 -0.925 1.00 0.00 C ATOM 0 H THR A 74 -7.195 6.896 -0.905 1.00 0.00 H new ATOM 0 HA THR A 74 -5.498 4.767 -0.159 1.00 0.00 H new ATOM 0 HB THR A 74 -4.862 7.623 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.602 7.071 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.697 6.696 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.922 6.451 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.168 5.096 -1.062 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.421 7.452 1.820 1.00 0.00 N ATOM 1174 CA CYS A 75 -4.942 7.914 3.115 1.00 0.00 C ATOM 1175 C CYS A 75 -5.471 7.005 4.227 1.00 0.00 C ATOM 1176 O CYS A 75 -4.693 6.590 5.083 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.381 9.373 3.307 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.763 10.039 4.877 1.00 0.00 S ATOM 0 H CYS A 75 -5.949 8.145 1.289 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.854 7.870 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.011 9.979 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.469 9.435 3.285 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.150 11.273 5.007 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.769 6.703 4.196 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.428 5.868 5.184 1.00 0.00 C ATOM 1186 C GLU A 76 -6.866 4.448 5.167 1.00 0.00 C ATOM 1187 O GLU A 76 -6.468 3.943 6.212 1.00 0.00 O ATOM 1188 CB GLU A 76 -8.941 5.892 4.905 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.619 7.117 5.553 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.580 7.130 7.092 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -8.560 7.556 7.679 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -10.615 6.783 7.710 1.00 0.00 O ATOM 0 H GLU A 76 -7.398 7.041 3.468 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.243 6.257 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.113 5.907 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.397 4.979 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.136 8.021 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.659 7.155 5.228 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.810 3.807 4.000 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.355 2.430 3.829 1.00 0.00 C ATOM 1201 C LEU A 77 -4.921 2.238 4.307 1.00 0.00 C ATOM 1202 O LEU A 77 -4.607 1.247 4.970 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.498 2.087 2.342 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.740 0.867 1.820 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.266 -0.473 2.347 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.727 0.894 0.294 1.00 0.00 C ATOM 0 H LEU A 77 -7.089 4.246 3.122 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.961 1.760 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.557 1.939 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.177 2.954 1.765 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.723 0.938 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.673 -1.286 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.190 -0.491 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.309 -0.595 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.187 0.025 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.751 0.873 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.234 1.803 -0.050 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.040 3.160 3.927 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.647 3.162 4.303 1.00 0.00 C ATOM 1220 C LEU A 78 -2.528 3.277 5.825 1.00 0.00 C ATOM 1221 O LEU A 78 -1.724 2.582 6.441 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.939 4.334 3.591 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.602 4.100 2.100 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.676 5.225 1.615 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.947 2.747 1.807 1.00 0.00 C ATOM 0 H LEU A 78 -4.294 3.947 3.330 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.168 2.231 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.571 5.219 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.014 4.555 4.124 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.552 4.099 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.433 5.068 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.178 6.185 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.241 5.221 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.744 2.665 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.012 2.668 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.618 1.944 2.112 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.313 4.165 6.439 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.341 4.379 7.882 1.00 0.00 C ATOM 1239 C PHE A 79 -3.830 3.112 8.591 1.00 0.00 C ATOM 1240 O PHE A 79 -3.138 2.615 9.483 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.207 5.622 8.168 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.109 6.313 9.520 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.943 5.614 10.735 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -4.233 7.716 9.546 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.887 6.314 11.953 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.193 8.410 10.765 1.00 0.00 C ATOM 1247 CZ PHE A 79 -4.013 7.712 11.968 1.00 0.00 C ATOM 0 H PHE A 79 -3.961 4.768 5.932 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.344 4.573 8.276 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.973 6.364 7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.248 5.334 8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.859 4.537 10.729 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.360 8.261 8.622 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.747 5.775 12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.301 9.485 10.777 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.971 8.249 12.904 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.979 2.569 8.178 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.596 1.373 8.756 1.00 0.00 C ATOM 1259 C ASP A 80 -4.604 0.217 8.709 1.00 0.00 C ATOM 1260 O ASP A 80 -4.371 -0.470 9.703 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.884 0.981 7.986 1.00 0.00 C ATOM 1262 CG ASP A 80 -8.167 1.020 8.818 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -8.108 1.189 10.056 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -9.263 0.860 8.238 1.00 0.00 O ATOM 0 H ASP A 80 -5.521 2.962 7.409 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.867 1.591 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.000 1.652 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.758 -0.025 7.585 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.973 0.017 7.554 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.981 -1.023 7.347 1.00 0.00 C ATOM 1271 C TRP A 81 -1.763 -0.824 8.250 1.00 0.00 C ATOM 1272 O TRP A 81 -1.201 -1.795 8.763 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.621 -1.000 5.866 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.777 -2.117 5.356 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.826 -3.415 5.733 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.748 -2.032 4.336 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.870 -4.131 5.040 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.182 -3.326 4.164 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.236 -0.975 3.554 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.861 -3.565 3.270 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.774 -1.221 2.615 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.332 -2.504 2.487 1.00 0.00 C ATOM 0 H TRP A 81 -4.143 0.586 6.724 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.378 -2.001 7.618 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.548 -0.987 5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.104 -0.063 5.658 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.507 -3.827 6.463 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.697 -5.129 5.162 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.623 0.025 3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.297 -4.549 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.126 -0.418 1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.130 -2.673 1.779 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.397 0.429 8.518 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.353 0.799 9.454 1.00 0.00 C ATOM 1295 C GLY A 82 -0.635 0.351 10.893 1.00 0.00 C ATOM 1296 O GLY A 82 0.301 0.333 11.691 1.00 0.00 O ATOM 0 H GLY A 82 -1.837 1.234 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.590 0.364 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.228 1.882 9.437 1.00 0.00 H new ATOM 1300 N THR A 83 -1.871 -0.011 11.257 1.00 0.00 N ATOM 1301 CA THR A 83 -2.169 -0.662 12.539 1.00 0.00 C ATOM 1302 C THR A 83 -1.711 -2.123 12.477 1.00 0.00 C ATOM 1303 O THR A 83 -1.017 -2.615 13.362 1.00 0.00 O ATOM 1304 CB THR A 83 -3.670 -0.549 12.903 1.00 0.00 C ATOM 1305 OG1 THR A 83 -4.500 -1.379 12.112 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.191 0.878 12.743 1.00 0.00 C ATOM 0 H THR A 83 -2.693 0.139 10.672 1.00 0.00 H new ATOM 0 HA THR A 83 -1.623 -0.151 13.332 1.00 0.00 H new ATOM 0 HB THR A 83 -3.718 -0.867 13.944 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.239 -1.301 11.171 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.248 0.912 13.009 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.631 1.545 13.398 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.067 1.197 11.708 1.00 0.00 H new ATOM 1314 N THR A 84 -2.077 -2.780 11.376 1.00 0.00 N ATOM 1315 CA THR A 84 -1.913 -4.193 11.058 1.00 0.00 C ATOM 1316 C THR A 84 -0.440 -4.638 10.974 1.00 0.00 C ATOM 1317 O THR A 84 -0.196 -5.842 11.003 1.00 0.00 O ATOM 1318 CB THR A 84 -2.752 -4.454 9.781 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.021 -4.982 10.111 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.140 -5.382 8.732 1.00 0.00 C ATOM 0 H THR A 84 -2.540 -2.286 10.613 1.00 0.00 H new ATOM 0 HA THR A 84 -2.284 -4.821 11.868 1.00 0.00 H new ATOM 0 HB THR A 84 -2.806 -3.464 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.534 -5.137 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.825 -5.482 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.195 -4.964 8.384 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.962 -6.363 9.173 1.00 0.00 H new ATOM 1328 N ASN A 85 0.535 -3.715 10.975 1.00 0.00 N ATOM 1329 CA ASN A 85 1.976 -3.897 11.266 1.00 0.00 C ATOM 1330 C ASN A 85 2.848 -3.930 10.008 1.00 0.00 C ATOM 1331 O ASN A 85 4.025 -4.288 10.081 1.00 0.00 O ATOM 1332 CB ASN A 85 2.342 -5.099 12.166 1.00 0.00 C ATOM 1333 CG ASN A 85 1.640 -5.092 13.512 1.00 0.00 C ATOM 1334 OD1 ASN A 85 2.020 -4.368 14.424 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.610 -5.905 13.665 1.00 0.00 N ATOM 0 H ASN A 85 0.324 -2.742 10.755 1.00 0.00 H new ATOM 0 HA ASN A 85 2.197 -3.000 11.844 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.094 -6.022 11.642 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.420 -5.104 12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.114 -5.938 14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.310 -6.499 12.892 1.00 0.00 H new ATOM 1342 N CYS A 86 2.304 -3.556 8.856 1.00 0.00 N ATOM 1343 CA CYS A 86 3.075 -3.462 7.626 1.00 0.00 C ATOM 1344 C CYS A 86 4.016 -2.253 7.668 1.00 0.00 C ATOM 1345 O CYS A 86 3.893 -1.371 8.532 1.00 0.00 O ATOM 1346 CB CYS A 86 2.104 -3.289 6.466 1.00 0.00 C ATOM 1347 SG CYS A 86 1.127 -1.801 6.806 1.00 0.00 S ATOM 0 H CYS A 86 1.320 -3.311 8.750 1.00 0.00 H new ATOM 0 HA CYS A 86 3.672 -4.366 7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 86 2.643 -3.189 5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.457 -4.161 6.372 1.00 0.00 H new ATOM 0 HG CYS A 86 0.187 -1.687 5.916 1.00 0.00 H new ATOM 1353 N THR A 87 4.928 -2.181 6.702 1.00 0.00 N ATOM 1354 CA THR A 87 5.866 -1.082 6.576 1.00 0.00 C ATOM 1355 C THR A 87 5.871 -0.510 5.152 1.00 0.00 C ATOM 1356 O THR A 87 5.239 -1.037 4.240 1.00 0.00 O ATOM 1357 CB THR A 87 7.253 -1.555 7.059 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.869 -2.402 6.116 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.238 -2.314 8.387 1.00 0.00 C ATOM 0 H THR A 87 5.033 -2.894 5.980 1.00 0.00 H new ATOM 0 HA THR A 87 5.559 -0.251 7.211 1.00 0.00 H new ATOM 0 HB THR A 87 7.807 -0.626 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.476 -1.878 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.254 -2.608 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.833 -1.671 9.169 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.616 -3.204 8.290 1.00 0.00 H new ATOM 1367 N VAL A 88 6.613 0.573 4.939 1.00 0.00 N ATOM 1368 CA VAL A 88 6.779 1.241 3.654 1.00 0.00 C ATOM 1369 C VAL A 88 7.302 0.266 2.589 1.00 0.00 C ATOM 1370 O VAL A 88 6.897 0.356 1.432 1.00 0.00 O ATOM 1371 CB VAL A 88 7.754 2.415 3.862 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.308 2.983 2.549 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.052 3.535 4.637 1.00 0.00 C ATOM 0 H VAL A 88 7.136 1.027 5.688 1.00 0.00 H new ATOM 0 HA VAL A 88 5.819 1.610 3.293 1.00 0.00 H new ATOM 0 HB VAL A 88 8.601 2.022 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.988 3.807 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.846 2.201 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.485 3.345 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.743 4.365 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.185 3.880 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.727 3.158 5.607 1.00 0.00 H new ATOM 1383 N GLY A 89 8.218 -0.627 2.965 1.00 0.00 N ATOM 1384 CA GLY A 89 8.770 -1.630 2.073 1.00 0.00 C ATOM 1385 C GLY A 89 7.667 -2.567 1.617 1.00 0.00 C ATOM 1386 O GLY A 89 7.590 -2.853 0.428 1.00 0.00 O ATOM 0 H GLY A 89 8.598 -0.669 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.233 -1.150 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.552 -2.193 2.582 1.00 0.00 H new ATOM 1390 N ASP A 90 6.771 -2.962 2.534 1.00 0.00 N ATOM 1391 CA ASP A 90 5.624 -3.797 2.159 1.00 0.00 C ATOM 1392 C ASP A 90 4.817 -3.056 1.088 1.00 0.00 C ATOM 1393 O ASP A 90 4.476 -3.645 0.065 1.00 0.00 O ATOM 1394 CB ASP A 90 4.700 -4.177 3.341 1.00 0.00 C ATOM 1395 CG ASP A 90 5.307 -5.123 4.380 1.00 0.00 C ATOM 1396 OD1 ASP A 90 5.792 -6.220 4.006 1.00 0.00 O ATOM 1397 OD2 ASP A 90 5.266 -4.811 5.594 1.00 0.00 O ATOM 0 H ASP A 90 6.818 -2.721 3.524 1.00 0.00 H new ATOM 0 HA ASP A 90 6.024 -4.740 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.392 -3.262 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.798 -4.639 2.939 1.00 0.00 H new ATOM 1402 N LEU A 91 4.513 -1.766 1.312 1.00 0.00 N ATOM 1403 CA LEU A 91 3.743 -0.934 0.381 1.00 0.00 C ATOM 1404 C LEU A 91 4.368 -0.960 -1.009 1.00 0.00 C ATOM 1405 O LEU A 91 3.675 -1.305 -1.961 1.00 0.00 O ATOM 1406 CB LEU A 91 3.564 0.494 0.935 1.00 0.00 C ATOM 1407 CG LEU A 91 2.851 1.454 -0.038 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.518 0.960 -0.621 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.629 2.804 0.659 1.00 0.00 C ATOM 0 H LEU A 91 4.800 -1.269 2.155 1.00 0.00 H new ATOM 0 HA LEU A 91 2.741 -1.352 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.996 0.445 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.544 0.903 1.182 1.00 0.00 H new ATOM 0 HG LEU A 91 3.519 1.533 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.110 1.718 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.684 0.037 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.813 0.774 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.125 3.488 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.013 2.658 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.591 3.226 0.950 1.00 0.00 H new ATOM 1421 N VAL A 92 5.648 -0.617 -1.135 1.00 0.00 N ATOM 1422 CA VAL A 92 6.386 -0.702 -2.389 1.00 0.00 C ATOM 1423 C VAL A 92 6.214 -2.080 -3.032 1.00 0.00 C ATOM 1424 O VAL A 92 5.880 -2.148 -4.212 1.00 0.00 O ATOM 1425 CB VAL A 92 7.853 -0.355 -2.103 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.838 -0.901 -3.126 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.036 1.144 -1.928 1.00 0.00 C ATOM 0 H VAL A 92 6.208 -0.268 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 92 5.995 0.011 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 92 8.090 -0.860 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.851 -0.610 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.768 -1.988 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.602 -0.497 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.085 1.361 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.728 1.657 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.427 1.490 -1.093 1.00 0.00 H new ATOM 1437 N ASP A 93 6.440 -3.154 -2.283 1.00 0.00 N ATOM 1438 CA ASP A 93 6.437 -4.530 -2.779 1.00 0.00 C ATOM 1439 C ASP A 93 5.135 -4.819 -3.532 1.00 0.00 C ATOM 1440 O ASP A 93 5.120 -5.216 -4.701 1.00 0.00 O ATOM 1441 CB ASP A 93 6.579 -5.497 -1.589 1.00 0.00 C ATOM 1442 CG ASP A 93 7.352 -6.783 -1.899 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.436 -7.210 -3.080 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.828 -7.411 -0.920 1.00 0.00 O ATOM 0 H ASP A 93 6.636 -3.092 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 93 7.273 -4.667 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.079 -4.976 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.584 -5.764 -1.234 1.00 0.00 H new ATOM 1449 N LEU A 94 4.016 -4.579 -2.849 1.00 0.00 N ATOM 1450 CA LEU A 94 2.668 -4.741 -3.343 1.00 0.00 C ATOM 1451 C LEU A 94 2.405 -3.770 -4.485 1.00 0.00 C ATOM 1452 O LEU A 94 1.741 -4.151 -5.448 1.00 0.00 O ATOM 1453 CB LEU A 94 1.712 -4.516 -2.166 1.00 0.00 C ATOM 1454 CG LEU A 94 1.790 -5.634 -1.110 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.498 -5.072 0.269 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.760 -6.709 -1.405 1.00 0.00 C ATOM 0 H LEU A 94 4.038 -4.249 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 94 2.515 -5.743 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.943 -3.561 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.691 -4.448 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 94 2.794 -6.057 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.556 -5.872 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.230 -4.301 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.498 -4.639 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.826 -7.493 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.238 -6.271 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.951 -7.136 -2.390 1.00 0.00 H new ATOM 1468 N LEU A 95 2.871 -2.521 -4.398 1.00 0.00 N ATOM 1469 CA LEU A 95 2.698 -1.518 -5.456 1.00 0.00 C ATOM 1470 C LEU A 95 3.311 -1.985 -6.769 1.00 0.00 C ATOM 1471 O LEU A 95 2.670 -1.867 -7.815 1.00 0.00 O ATOM 1472 CB LEU A 95 3.292 -0.158 -5.065 1.00 0.00 C ATOM 1473 CG LEU A 95 2.464 0.669 -4.088 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.318 1.840 -3.603 1.00 0.00 C ATOM 1475 CD2 LEU A 95 1.218 1.253 -4.733 1.00 0.00 C ATOM 0 H LEU A 95 3.382 -2.174 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 95 1.623 -1.395 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.277 -0.324 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.441 0.427 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 95 2.158 0.009 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.742 2.444 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.210 1.459 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.612 2.453 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.664 1.833 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.506 1.901 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.589 0.445 -5.106 1.00 0.00 H new ATOM 1487 N VAL A 96 4.522 -2.540 -6.741 1.00 0.00 N ATOM 1488 CA VAL A 96 5.128 -3.112 -7.937 1.00 0.00 C ATOM 1489 C VAL A 96 4.251 -4.274 -8.435 1.00 0.00 C ATOM 1490 O VAL A 96 4.046 -4.395 -9.648 1.00 0.00 O ATOM 1491 CB VAL A 96 6.595 -3.507 -7.653 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.279 -4.101 -8.891 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.445 -2.296 -7.227 1.00 0.00 C ATOM 0 H VAL A 96 5.100 -2.604 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 96 5.171 -2.380 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 96 6.540 -4.243 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.308 -4.365 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.742 -4.994 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.274 -3.367 -9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.469 -2.619 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.441 -1.551 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.028 -1.860 -6.319 1.00 0.00 H new ATOM 1503 N GLN A 97 3.646 -5.062 -7.537 1.00 0.00 N ATOM 1504 CA GLN A 97 2.846 -6.222 -7.902 1.00 0.00 C ATOM 1505 C GLN A 97 1.609 -5.796 -8.704 1.00 0.00 C ATOM 1506 O GLN A 97 1.174 -6.533 -9.588 1.00 0.00 O ATOM 1507 CB GLN A 97 2.540 -7.070 -6.640 1.00 0.00 C ATOM 1508 CG GLN A 97 1.064 -7.267 -6.268 1.00 0.00 C ATOM 1509 CD GLN A 97 0.921 -8.296 -5.147 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.742 -8.376 -4.247 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.122 -9.102 -5.154 1.00 0.00 N ATOM 0 H GLN A 97 3.703 -4.905 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 97 3.407 -6.874 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.988 -8.054 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.043 -6.607 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.634 -6.317 -5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.504 -7.596 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.810 -9.039 -5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.241 -9.789 -4.409 1.00 0.00 H new ATOM 1520 N ILE A 98 1.048 -4.609 -8.444 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.120 -4.074 -9.154 1.00 0.00 C ATOM 1522 C ILE A 98 0.275 -3.098 -10.274 1.00 0.00 C ATOM 1523 O ILE A 98 -0.615 -2.497 -10.881 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.137 -3.455 -8.171 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.504 -2.314 -7.361 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.734 -4.538 -7.257 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.558 -1.421 -6.712 1.00 0.00 C ATOM 0 H ILE A 98 1.400 -3.982 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.613 -4.914 -9.644 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.952 -3.022 -8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.142 -2.732 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.128 -1.713 -8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.448 -4.082 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.241 -5.287 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.936 -5.013 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.066 -0.628 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.188 -0.981 -7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.174 -2.016 -6.038 1.00 0.00 H new ATOM 1539 N GLU A 99 1.575 -2.955 -10.572 1.00 0.00 N ATOM 1540 CA GLU A 99 2.124 -2.200 -11.707 1.00 0.00 C ATOM 1541 C GLU A 99 2.182 -0.686 -11.424 1.00 0.00 C ATOM 1542 O GLU A 99 2.338 0.138 -12.334 1.00 0.00 O ATOM 1543 CB GLU A 99 1.350 -2.561 -12.993 1.00 0.00 C ATOM 1544 CG GLU A 99 2.174 -2.481 -14.271 1.00 0.00 C ATOM 1545 CD GLU A 99 1.487 -3.297 -15.370 1.00 0.00 C ATOM 1546 OE1 GLU A 99 1.661 -4.538 -15.371 1.00 0.00 O ATOM 1547 OE2 GLU A 99 0.753 -2.712 -16.202 1.00 0.00 O ATOM 0 H GLU A 99 2.305 -3.382 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 99 3.163 -2.491 -11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.956 -3.572 -12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.494 -1.893 -13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.279 -1.443 -14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.179 -2.863 -14.093 1.00 0.00 H new ATOM 1554 N LEU A 100 2.033 -0.292 -10.157 1.00 0.00 N ATOM 1555 CA LEU A 100 1.974 1.100 -9.703 1.00 0.00 C ATOM 1556 C LEU A 100 3.392 1.596 -9.402 1.00 0.00 C ATOM 1557 O LEU A 100 3.777 1.899 -8.270 1.00 0.00 O ATOM 1558 CB LEU A 100 1.011 1.258 -8.507 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.407 1.772 -8.827 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.384 3.160 -9.485 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.205 0.809 -9.706 1.00 0.00 C ATOM 0 H LEU A 100 1.947 -0.959 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 100 1.565 1.727 -10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.920 0.291 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.467 1.940 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.908 1.845 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.405 3.481 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.092 3.874 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.177 3.111 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.194 1.225 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.684 0.663 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.307 -0.149 -9.197 1.00 0.00 H new ATOM 1573 N PHE A 101 4.201 1.669 -10.451 1.00 0.00 N ATOM 1574 CA PHE A 101 5.623 1.911 -10.319 1.00 0.00 C ATOM 1575 C PHE A 101 5.938 3.334 -9.859 1.00 0.00 C ATOM 1576 O PHE A 101 6.888 3.495 -9.098 1.00 0.00 O ATOM 1577 CB PHE A 101 6.346 1.578 -11.632 1.00 0.00 C ATOM 1578 CG PHE A 101 6.122 0.175 -12.181 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.011 -0.948 -11.330 1.00 0.00 C ATOM 1580 CD2 PHE A 101 6.046 -0.009 -13.575 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.794 -2.226 -11.875 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.852 -1.291 -14.115 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.724 -2.400 -13.265 1.00 0.00 C ATOM 0 H PHE A 101 3.885 1.562 -11.415 1.00 0.00 H new ATOM 0 HA PHE A 101 5.992 1.248 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.032 2.297 -12.389 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.416 1.721 -11.481 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.093 -0.824 -10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.138 0.842 -14.234 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.681 -3.077 -11.220 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.801 -1.423 -15.186 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.572 -3.385 -13.680 1.00 0.00 H new ATOM 1593 N ALA A 102 5.172 4.360 -10.257 1.00 0.00 N ATOM 1594 CA ALA A 102 5.413 5.732 -9.796 1.00 0.00 C ATOM 1595 C ALA A 102 5.401 5.825 -8.259 1.00 0.00 C ATOM 1596 O ALA A 102 6.438 6.135 -7.677 1.00 0.00 O ATOM 1597 CB ALA A 102 4.455 6.730 -10.455 1.00 0.00 C ATOM 0 H ALA A 102 4.382 4.265 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 102 6.416 6.013 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.666 7.734 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.590 6.704 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.427 6.463 -10.211 1.00 0.00 H new ATOM 1603 N PRO A 103 4.303 5.506 -7.549 1.00 0.00 N ATOM 1604 CA PRO A 103 4.286 5.585 -6.093 1.00 0.00 C ATOM 1605 C PRO A 103 5.330 4.668 -5.432 1.00 0.00 C ATOM 1606 O PRO A 103 5.930 5.093 -4.449 1.00 0.00 O ATOM 1607 CB PRO A 103 2.855 5.273 -5.661 1.00 0.00 C ATOM 1608 CG PRO A 103 2.264 4.556 -6.863 1.00 0.00 C ATOM 1609 CD PRO A 103 2.991 5.148 -8.051 1.00 0.00 C ATOM 0 HA PRO A 103 4.574 6.582 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.834 4.645 -4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.301 6.181 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.419 3.479 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.189 4.719 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.064 4.429 -8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.466 6.020 -8.440 1.00 0.00 H new ATOM 1617 N ALA A 104 5.604 3.471 -5.970 1.00 0.00 N ATOM 1618 CA ALA A 104 6.688 2.593 -5.511 1.00 0.00 C ATOM 1619 C ALA A 104 8.015 3.371 -5.569 1.00 0.00 C ATOM 1620 O ALA A 104 8.765 3.365 -4.601 1.00 0.00 O ATOM 1621 CB ALA A 104 6.719 1.344 -6.403 1.00 0.00 C ATOM 0 H ALA A 104 5.071 3.081 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 104 6.529 2.273 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.520 0.682 -6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.765 0.822 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.895 1.640 -7.437 1.00 0.00 H new ATOM 1627 N THR A 105 8.277 4.108 -6.653 1.00 0.00 N ATOM 1628 CA THR A 105 9.491 4.885 -6.838 1.00 0.00 C ATOM 1629 C THR A 105 9.539 6.080 -5.865 1.00 0.00 C ATOM 1630 O THR A 105 10.605 6.430 -5.347 1.00 0.00 O ATOM 1631 CB THR A 105 9.524 5.416 -8.288 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.318 4.455 -9.304 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.815 6.137 -8.635 1.00 0.00 C ATOM 0 H THR A 105 7.632 4.178 -7.440 1.00 0.00 H new ATOM 0 HA THR A 105 10.350 4.244 -6.640 1.00 0.00 H new ATOM 0 HB THR A 105 8.674 6.099 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.396 4.126 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.772 6.484 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.945 6.991 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.656 5.454 -8.517 1.00 0.00 H new ATOM 1641 N LEU A 106 8.409 6.762 -5.632 1.00 0.00 N ATOM 1642 CA LEU A 106 8.356 7.902 -4.725 1.00 0.00 C ATOM 1643 C LEU A 106 8.714 7.463 -3.308 1.00 0.00 C ATOM 1644 O LEU A 106 9.396 8.184 -2.577 1.00 0.00 O ATOM 1645 CB LEU A 106 6.951 8.510 -4.762 1.00 0.00 C ATOM 1646 CG LEU A 106 6.732 9.580 -3.673 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.676 10.785 -3.761 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.299 10.091 -3.734 1.00 0.00 C ATOM 0 H LEU A 106 7.515 6.536 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 106 9.079 8.654 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.779 8.955 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.214 7.717 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 106 6.947 9.078 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.449 11.485 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.708 10.446 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.543 11.282 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.149 10.847 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.111 10.530 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.610 9.263 -3.569 1.00 0.00 H new ATOM 1660 N LEU A 107 8.257 6.279 -2.922 1.00 0.00 N ATOM 1661 CA LEU A 107 8.562 5.693 -1.626 1.00 0.00 C ATOM 1662 C LEU A 107 10.033 5.263 -1.615 1.00 0.00 C ATOM 1663 O LEU A 107 10.767 5.645 -0.705 1.00 0.00 O ATOM 1664 CB LEU A 107 7.637 4.497 -1.371 1.00 0.00 C ATOM 1665 CG LEU A 107 6.136 4.838 -1.285 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.328 3.571 -1.530 1.00 0.00 C ATOM 1667 CD2 LEU A 107 5.716 5.417 0.061 1.00 0.00 C ATOM 0 H LEU A 107 7.659 5.694 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 107 8.399 6.421 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.783 3.768 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.938 4.016 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 107 5.946 5.601 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.264 3.801 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.560 3.177 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.580 2.827 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.648 5.632 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.931 4.696 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.269 6.337 0.250 1.00 0.00 H new ATOM 1679 N LEU A 108 10.468 4.469 -2.602 1.00 0.00 N ATOM 1680 CA LEU A 108 11.771 3.812 -2.611 1.00 0.00 C ATOM 1681 C LEU A 108 12.208 3.558 -4.075 1.00 0.00 C ATOM 1682 O LEU A 108 11.889 2.517 -4.647 1.00 0.00 O ATOM 1683 CB LEU A 108 11.660 2.523 -1.780 1.00 0.00 C ATOM 1684 CG LEU A 108 12.915 2.148 -0.984 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.541 0.940 -0.121 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.152 1.849 -1.834 1.00 0.00 C ATOM 0 H LEU A 108 9.909 4.265 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 108 12.543 4.436 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.827 2.629 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.414 1.699 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 108 13.212 3.011 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.405 0.632 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.723 1.210 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.228 0.117 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.988 1.594 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.942 1.012 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.408 2.728 -2.426 1.00 0.00 H new ATOM 1698 N PRO A 109 12.926 4.499 -4.715 1.00 0.00 N ATOM 1699 CA PRO A 109 13.211 4.476 -6.150 1.00 0.00 C ATOM 1700 C PRO A 109 14.090 3.293 -6.585 1.00 0.00 C ATOM 1701 O PRO A 109 14.084 2.941 -7.763 1.00 0.00 O ATOM 1702 CB PRO A 109 13.876 5.819 -6.479 1.00 0.00 C ATOM 1703 CG PRO A 109 14.187 6.492 -5.144 1.00 0.00 C ATOM 1704 CD PRO A 109 13.426 5.699 -4.085 1.00 0.00 C ATOM 0 HA PRO A 109 12.282 4.337 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.787 5.668 -7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.214 6.441 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.258 6.483 -4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 109 13.873 7.536 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.080 5.449 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.604 6.290 -3.681 1.00 0.00 H new ATOM 1712 N ASP A 110 14.840 2.679 -5.663 1.00 0.00 N ATOM 1713 CA ASP A 110 15.757 1.576 -5.971 1.00 0.00 C ATOM 1714 C ASP A 110 15.092 0.209 -5.784 1.00 0.00 C ATOM 1715 O ASP A 110 15.677 -0.821 -6.134 1.00 0.00 O ATOM 1716 CB ASP A 110 16.975 1.588 -5.038 1.00 0.00 C ATOM 1717 CG ASP A 110 17.747 2.897 -4.971 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.037 3.522 -6.012 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.076 3.303 -3.833 1.00 0.00 O ATOM 0 H ASP A 110 14.828 2.935 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 110 16.050 1.723 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.641 1.334 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.659 0.801 -5.355 1.00 0.00 H new ATOM 1724 N ALA A 111 13.926 0.156 -5.137 1.00 0.00 N ATOM 1725 CA ALA A 111 13.229 -1.097 -4.870 1.00 0.00 C ATOM 1726 C ALA A 111 12.561 -1.583 -6.148 1.00 0.00 C ATOM 1727 O ALA A 111 12.868 -2.664 -6.651 1.00 0.00 O ATOM 1728 CB ALA A 111 12.180 -0.863 -3.792 1.00 0.00 C ATOM 0 H ALA A 111 13.441 0.982 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 111 13.937 -1.852 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.655 -1.796 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.666 -0.513 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.467 -0.113 -4.135 1.00 0.00 H new ATOM 1734 N VAL A 112 11.677 -0.735 -6.678 1.00 0.00 N ATOM 1735 CA VAL A 112 11.057 -0.894 -7.977 1.00 0.00 C ATOM 1736 C VAL A 112 12.165 -1.199 -8.999 1.00 0.00 C ATOM 1737 O VAL A 112 13.187 -0.501 -9.014 1.00 0.00 O ATOM 1738 CB VAL A 112 10.222 0.366 -8.280 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.034 1.669 -8.212 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.493 0.290 -9.627 1.00 0.00 C ATOM 0 H VAL A 112 11.369 0.107 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 112 10.360 -1.731 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 112 9.479 0.390 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.384 2.515 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.451 1.786 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.844 1.631 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.922 1.205 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.222 0.175 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.816 -0.564 -9.627 1.00 0.00 H new ATOM 1750 N PRO A 113 12.009 -2.224 -9.852 1.00 0.00 N ATOM 1751 CA PRO A 113 13.011 -2.623 -10.838 1.00 0.00 C ATOM 1752 C PRO A 113 13.073 -1.646 -12.039 1.00 0.00 C ATOM 1753 O PRO A 113 13.223 -2.082 -13.184 1.00 0.00 O ATOM 1754 CB PRO A 113 12.658 -4.077 -11.187 1.00 0.00 C ATOM 1755 CG PRO A 113 11.155 -4.157 -10.957 1.00 0.00 C ATOM 1756 CD PRO A 113 10.914 -3.183 -9.816 1.00 0.00 C ATOM 0 HA PRO A 113 14.031 -2.573 -10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.917 -4.314 -12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.197 -4.782 -10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.597 -3.874 -11.850 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.843 -5.168 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.954 -2.680 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.887 -3.705 -8.860 1.00 0.00 H new