USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 648 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 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.518 K(o=-0.52,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -2.47 X(o=-2.5,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.25 K(o=-1.2,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.466 (180deg=0.458) USER MOD Single : A 38 TYR OH : rot 128:sc= 0.00389 USER MOD Single : A 41 MET CE :methyl 156:sc= -2.51 (180deg=-4.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.37) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -168:sc= 1.17 USER MOD Single : A 56 MET CE :methyl -166:sc= -1.99 (180deg=-2.14) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 169:sc= 0 (180deg=-0.211) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -3.88! C(o=-3.9!,f=-8.3!) USER MOD Single : A 68 GLN : amide:sc= -9.38! K(o=-9.4!,f=-2.6) USER MOD Single : A 70 GLN : amide:sc= 0.565 K(o=0.57,f=-1.4) USER MOD Single : A 74 HIS : no HD1:sc= -0.64 K(o=-0.64,f=0.075) USER MOD Single : A 76 THR OG1 : rot -95:sc= 0.0569 USER MOD Single : A 79 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -67:sc= -5.94! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 52:sc= 0.899 USER MOD Single : A 97 THR OG1 : rot 20:sc= -0.467 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.478 16.225 -7.703 1.00 0.00 N ATOM 191 CA PRO A 15 -3.659 15.496 -7.275 1.00 0.00 C ATOM 192 C PRO A 15 -3.971 14.344 -8.233 1.00 0.00 C ATOM 193 O PRO A 15 -3.981 14.529 -9.449 1.00 0.00 O ATOM 194 CB PRO A 15 -4.765 16.537 -7.218 1.00 0.00 C ATOM 195 CG PRO A 15 -4.280 17.707 -8.058 1.00 0.00 C ATOM 196 CD PRO A 15 -2.793 17.516 -8.308 1.00 0.00 C ATOM 0 HA PRO A 15 -3.529 15.019 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.700 16.136 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.957 16.847 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.823 17.750 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.462 18.649 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.567 17.519 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.209 18.318 -7.856 1.00 0.00 H new ATOM 204 N VAL A 16 -4.218 13.181 -7.649 1.00 0.00 N ATOM 205 CA VAL A 16 -4.529 12.000 -8.436 1.00 0.00 C ATOM 206 C VAL A 16 -5.538 12.369 -9.525 1.00 0.00 C ATOM 207 O VAL A 16 -6.279 13.340 -9.385 1.00 0.00 O ATOM 208 CB VAL A 16 -5.020 10.876 -7.521 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.854 10.230 -6.770 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.083 11.388 -6.547 1.00 0.00 C ATOM 0 H VAL A 16 -4.209 13.031 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.635 11.627 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.479 10.111 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.231 9.435 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.146 9.813 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.352 10.982 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.415 10.570 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.660 12.181 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.932 11.778 -7.108 1.00 0.00 H new ATOM 220 N THR A 17 -5.534 11.573 -10.584 1.00 0.00 N ATOM 221 CA THR A 17 -6.441 11.804 -11.697 1.00 0.00 C ATOM 222 C THR A 17 -7.264 10.547 -11.983 1.00 0.00 C ATOM 223 O THR A 17 -7.097 9.526 -11.318 1.00 0.00 O ATOM 224 CB THR A 17 -5.611 12.273 -12.893 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.738 11.179 -13.160 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.667 13.424 -12.537 1.00 0.00 C ATOM 0 H THR A 17 -4.918 10.768 -10.696 1.00 0.00 H new ATOM 0 HA THR A 17 -7.167 12.583 -11.462 1.00 0.00 H new ATOM 0 HB THR A 17 -6.278 12.586 -13.696 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.164 11.397 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.102 13.718 -13.422 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.248 14.274 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.978 13.101 -11.757 1.00 0.00 H new ATOM 234 N GLY A 18 -8.135 10.662 -12.975 1.00 0.00 N ATOM 235 CA GLY A 18 -8.985 9.548 -13.359 1.00 0.00 C ATOM 236 C GLY A 18 -8.147 8.331 -13.756 1.00 0.00 C ATOM 237 O GLY A 18 -8.648 7.208 -13.776 1.00 0.00 O ATOM 0 H GLY A 18 -8.270 11.510 -13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.644 9.286 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.623 9.843 -14.193 1.00 0.00 H new ATOM 241 N GLU A 19 -6.885 8.595 -14.061 1.00 0.00 N ATOM 242 CA GLU A 19 -5.973 7.536 -14.456 1.00 0.00 C ATOM 243 C GLU A 19 -5.439 6.806 -13.222 1.00 0.00 C ATOM 244 O GLU A 19 -5.329 5.581 -13.219 1.00 0.00 O ATOM 245 CB GLU A 19 -4.826 8.088 -15.305 1.00 0.00 C ATOM 246 CG GLU A 19 -4.309 7.030 -16.283 1.00 0.00 C ATOM 247 CD GLU A 19 -3.740 7.682 -17.545 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.550 8.064 -17.499 1.00 0.00 O ATOM 249 OE2 GLU A 19 -4.507 7.784 -18.527 1.00 0.00 O ATOM 0 H GLU A 19 -6.473 9.528 -14.042 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.523 6.820 -15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.167 8.964 -15.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.014 8.416 -14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.538 6.429 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.119 6.352 -16.553 1.00 0.00 H new ATOM 256 N GLN A 20 -5.122 7.591 -12.202 1.00 0.00 N ATOM 257 CA GLN A 20 -4.603 7.035 -10.964 1.00 0.00 C ATOM 258 C GLN A 20 -5.745 6.474 -10.113 1.00 0.00 C ATOM 259 O GLN A 20 -5.623 5.394 -9.539 1.00 0.00 O ATOM 260 CB GLN A 20 -3.803 8.082 -10.186 1.00 0.00 C ATOM 261 CG GLN A 20 -2.453 8.349 -10.855 1.00 0.00 C ATOM 262 CD GLN A 20 -1.362 8.595 -9.811 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.549 8.394 -8.622 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.217 9.039 -10.320 1.00 0.00 N ATOM 0 H GLN A 20 -5.215 8.607 -12.208 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.926 6.218 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.373 9.009 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.645 7.738 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.178 7.499 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.534 9.215 -11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.129 9.185 -11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.573 9.233 -9.705 1.00 0.00 H new ATOM 273 N ILE A 21 -6.829 7.234 -10.060 1.00 0.00 N ATOM 274 CA ILE A 21 -7.991 6.827 -9.290 1.00 0.00 C ATOM 275 C ILE A 21 -8.302 5.358 -9.583 1.00 0.00 C ATOM 276 O ILE A 21 -8.138 4.500 -8.716 1.00 0.00 O ATOM 277 CB ILE A 21 -9.167 7.769 -9.556 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.974 9.104 -8.833 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.496 7.105 -9.188 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.302 9.852 -8.699 1.00 0.00 C ATOM 0 H ILE A 21 -6.927 8.130 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.786 6.904 -8.222 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.199 7.982 -10.624 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.550 8.928 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.260 9.719 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.315 7.796 -9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.629 6.203 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.491 6.843 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.137 10.797 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.711 10.048 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.006 9.245 -8.129 1.00 0.00 H new ATOM 292 N GLU A 22 -8.746 5.112 -10.807 1.00 0.00 N ATOM 293 CA GLU A 22 -9.081 3.762 -11.224 1.00 0.00 C ATOM 294 C GLU A 22 -8.052 2.767 -10.682 1.00 0.00 C ATOM 295 O GLU A 22 -8.416 1.719 -10.152 1.00 0.00 O ATOM 296 CB GLU A 22 -9.184 3.668 -12.748 1.00 0.00 C ATOM 297 CG GLU A 22 -7.950 4.274 -13.419 1.00 0.00 C ATOM 298 CD GLU A 22 -8.092 4.262 -14.942 1.00 0.00 C ATOM 299 OE1 GLU A 22 -8.649 5.249 -15.468 1.00 0.00 O ATOM 300 OE2 GLU A 22 -7.641 3.265 -15.546 1.00 0.00 O ATOM 0 H GLU A 22 -8.881 5.826 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.057 3.507 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.289 2.625 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.080 4.188 -13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.809 5.297 -13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.062 3.713 -13.129 1.00 0.00 H new ATOM 307 N VAL A 23 -6.788 3.132 -10.835 1.00 0.00 N ATOM 308 CA VAL A 23 -5.703 2.285 -10.368 1.00 0.00 C ATOM 309 C VAL A 23 -5.833 2.086 -8.856 1.00 0.00 C ATOM 310 O VAL A 23 -5.938 0.955 -8.382 1.00 0.00 O ATOM 311 CB VAL A 23 -4.357 2.884 -10.778 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.247 2.447 -9.820 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.011 2.516 -12.223 1.00 0.00 C ATOM 0 H VAL A 23 -6.490 4.002 -11.276 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.760 1.301 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.441 3.969 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.301 2.887 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.485 2.782 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.163 1.360 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.049 2.954 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.955 1.432 -12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.782 2.900 -12.891 1.00 0.00 H new ATOM 323 N PHE A 24 -5.821 3.201 -8.141 1.00 0.00 N ATOM 324 CA PHE A 24 -5.936 3.163 -6.693 1.00 0.00 C ATOM 325 C PHE A 24 -7.076 2.241 -6.258 1.00 0.00 C ATOM 326 O PHE A 24 -6.873 1.335 -5.450 1.00 0.00 O ATOM 327 CB PHE A 24 -6.244 4.589 -6.232 1.00 0.00 C ATOM 328 CG PHE A 24 -5.382 5.063 -5.060 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.671 4.656 -3.795 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.327 5.892 -5.283 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.871 5.097 -2.707 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.527 6.332 -4.196 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.816 5.925 -2.930 1.00 0.00 C ATOM 0 H PHE A 24 -5.733 4.137 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.012 2.785 -6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.104 5.270 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.294 4.649 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.509 3.998 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.098 6.216 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.101 4.774 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.689 6.990 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.208 6.260 -2.103 1.00 0.00 H new ATOM 343 N ALA A 25 -8.251 2.503 -6.812 1.00 0.00 N ATOM 344 CA ALA A 25 -9.424 1.708 -6.491 1.00 0.00 C ATOM 345 C ALA A 25 -9.024 0.235 -6.389 1.00 0.00 C ATOM 346 O ALA A 25 -9.094 -0.358 -5.314 1.00 0.00 O ATOM 347 CB ALA A 25 -10.507 1.947 -7.544 1.00 0.00 C ATOM 0 H ALA A 25 -8.416 3.255 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.837 2.005 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.387 1.350 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.777 3.003 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.130 1.658 -8.525 1.00 0.00 H new ATOM 353 N ASN A 26 -8.614 -0.313 -7.524 1.00 0.00 N ATOM 354 CA ASN A 26 -8.203 -1.706 -7.576 1.00 0.00 C ATOM 355 C ASN A 26 -7.387 -2.040 -6.326 1.00 0.00 C ATOM 356 O ASN A 26 -7.573 -3.096 -5.723 1.00 0.00 O ATOM 357 CB ASN A 26 -7.325 -1.975 -8.800 1.00 0.00 C ATOM 358 CG ASN A 26 -8.124 -1.813 -10.094 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.948 -2.638 -10.453 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.835 -0.707 -10.773 1.00 0.00 N ATOM 0 H ASN A 26 -8.558 0.182 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.101 -2.321 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.478 -1.288 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.917 -2.984 -8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.314 -0.508 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.134 -0.058 -10.416 1.00 0.00 H new ATOM 367 N LYS A 27 -6.501 -1.120 -5.973 1.00 0.00 N ATOM 368 CA LYS A 27 -5.656 -1.304 -4.805 1.00 0.00 C ATOM 369 C LYS A 27 -6.512 -1.201 -3.541 1.00 0.00 C ATOM 370 O LYS A 27 -6.568 -2.139 -2.747 1.00 0.00 O ATOM 371 CB LYS A 27 -4.482 -0.324 -4.835 1.00 0.00 C ATOM 372 CG LYS A 27 -3.638 -0.517 -6.096 1.00 0.00 C ATOM 373 CD LYS A 27 -3.009 0.804 -6.543 1.00 0.00 C ATOM 374 CE LYS A 27 -1.486 0.763 -6.403 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.878 0.064 -7.557 1.00 0.00 N ATOM 0 H LYS A 27 -6.350 -0.245 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.211 -2.299 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.857 0.699 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.860 -0.469 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.855 -1.250 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.260 -0.917 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.277 1.005 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.411 1.622 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.094 1.778 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.213 0.255 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.156 0.045 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.239 -0.910 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.123 0.565 -8.435 1.00 0.00 H new ATOM 389 N LEU A 28 -7.157 -0.053 -3.393 1.00 0.00 N ATOM 390 CA LEU A 28 -8.007 0.184 -2.239 1.00 0.00 C ATOM 391 C LEU A 28 -8.844 -1.066 -1.962 1.00 0.00 C ATOM 392 O LEU A 28 -8.656 -1.730 -0.943 1.00 0.00 O ATOM 393 CB LEU A 28 -8.841 1.451 -2.439 1.00 0.00 C ATOM 394 CG LEU A 28 -9.611 1.948 -1.214 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.669 2.175 -0.029 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.424 3.200 -1.548 1.00 0.00 C ATOM 0 H LEU A 28 -7.108 0.723 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.402 0.366 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.179 2.249 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.555 1.269 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.319 1.174 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.242 2.528 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.173 1.238 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.920 2.920 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.962 3.532 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.753 3.991 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.138 2.970 -2.339 1.00 0.00 H new ATOM 408 N GLY A 29 -9.751 -1.349 -2.885 1.00 0.00 N ATOM 409 CA GLY A 29 -10.617 -2.508 -2.753 1.00 0.00 C ATOM 410 C GLY A 29 -11.758 -2.230 -1.772 1.00 0.00 C ATOM 411 O GLY A 29 -12.495 -1.258 -1.930 1.00 0.00 O ATOM 0 H GLY A 29 -9.905 -0.795 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.027 -2.773 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.036 -3.363 -2.408 1.00 0.00 H new ATOM 415 N GLU A 30 -11.869 -3.102 -0.781 1.00 0.00 N ATOM 416 CA GLU A 30 -12.907 -2.963 0.226 1.00 0.00 C ATOM 417 C GLU A 30 -12.440 -2.030 1.345 1.00 0.00 C ATOM 418 O GLU A 30 -13.186 -1.763 2.287 1.00 0.00 O ATOM 419 CB GLU A 30 -13.316 -4.328 0.784 1.00 0.00 C ATOM 420 CG GLU A 30 -12.136 -5.013 1.475 1.00 0.00 C ATOM 421 CD GLU A 30 -12.616 -5.916 2.614 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.099 -7.024 2.294 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.488 -5.478 3.777 1.00 0.00 O ATOM 0 H GLU A 30 -11.257 -3.908 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.786 -2.522 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.135 -4.205 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.685 -4.959 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.578 -5.604 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.452 -4.260 1.867 1.00 0.00 H new ATOM 430 N GLN A 31 -11.209 -1.561 1.205 1.00 0.00 N ATOM 431 CA GLN A 31 -10.634 -0.663 2.193 1.00 0.00 C ATOM 432 C GLN A 31 -11.163 0.758 1.991 1.00 0.00 C ATOM 433 O GLN A 31 -10.766 1.679 2.703 1.00 0.00 O ATOM 434 CB GLN A 31 -9.106 -0.693 2.136 1.00 0.00 C ATOM 435 CG GLN A 31 -8.544 -1.788 3.046 1.00 0.00 C ATOM 436 CD GLN A 31 -7.921 -2.917 2.224 1.00 0.00 C ATOM 437 OE1 GLN A 31 -8.227 -3.114 1.059 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.032 -3.646 2.892 1.00 0.00 N ATOM 0 H GLN A 31 -10.594 -1.786 0.423 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.935 -1.003 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.780 -0.865 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.708 0.276 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.794 -1.362 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.340 -2.187 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.822 -3.427 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.560 -4.424 2.431 1.00 0.00 H new ATOM 447 N TRP A 32 -12.051 0.892 1.016 1.00 0.00 N ATOM 448 CA TRP A 32 -12.638 2.185 0.712 1.00 0.00 C ATOM 449 C TRP A 32 -13.398 2.663 1.950 1.00 0.00 C ATOM 450 O TRP A 32 -13.432 3.858 2.240 1.00 0.00 O ATOM 451 CB TRP A 32 -13.520 2.107 -0.537 1.00 0.00 C ATOM 452 CG TRP A 32 -14.829 1.344 -0.327 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.060 0.036 -0.506 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.087 1.899 0.111 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.369 -0.291 -0.216 1.00 0.00 N ATOM 456 CE2 TRP A 32 -17.014 0.878 0.171 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.431 3.221 0.446 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.344 1.072 0.562 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.764 3.398 0.835 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.709 2.381 0.901 1.00 0.00 C ATOM 0 H TRP A 32 -12.378 0.126 0.427 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.863 2.914 0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.751 3.119 -0.870 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.957 1.628 -1.338 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.315 -0.673 -0.836 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.786 -1.220 -0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.723 4.035 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.051 0.256 0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -18.080 4.395 1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.720 2.599 1.212 1.00 0.00 H new ATOM 471 N LYS A 33 -13.990 1.705 2.649 1.00 0.00 N ATOM 472 CA LYS A 33 -14.747 2.014 3.850 1.00 0.00 C ATOM 473 C LYS A 33 -13.778 2.305 4.998 1.00 0.00 C ATOM 474 O LYS A 33 -14.187 2.787 6.053 1.00 0.00 O ATOM 475 CB LYS A 33 -15.745 0.895 4.157 1.00 0.00 C ATOM 476 CG LYS A 33 -17.043 1.461 4.735 1.00 0.00 C ATOM 477 CD LYS A 33 -18.241 0.592 4.346 1.00 0.00 C ATOM 478 CE LYS A 33 -19.388 0.762 5.345 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.648 0.228 4.782 1.00 0.00 N ATOM 0 H LYS A 33 -13.961 0.715 2.406 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.346 2.913 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.962 0.336 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.303 0.193 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.968 1.518 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.194 2.478 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.581 0.862 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.939 -0.455 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.149 0.244 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.511 1.817 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.420 0.366 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.873 0.729 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.538 -0.787 4.585 1.00 0.00 H new ATOM 493 N ILE A 34 -12.512 2.001 4.753 1.00 0.00 N ATOM 494 CA ILE A 34 -11.482 2.224 5.753 1.00 0.00 C ATOM 495 C ILE A 34 -10.836 3.591 5.516 1.00 0.00 C ATOM 496 O ILE A 34 -10.277 4.185 6.437 1.00 0.00 O ATOM 497 CB ILE A 34 -10.483 1.065 5.761 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.205 -0.280 5.868 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.442 1.247 6.868 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.210 -1.441 5.825 1.00 0.00 C ATOM 0 H ILE A 34 -12.176 1.602 3.876 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.918 2.245 6.752 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.947 1.068 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.774 -0.318 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.920 -0.379 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.744 0.410 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.897 2.177 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.942 1.284 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.749 -2.385 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.660 -1.414 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.511 -1.352 6.657 1.00 0.00 H new ATOM 512 N LEU A 35 -10.934 4.050 4.277 1.00 0.00 N ATOM 513 CA LEU A 35 -10.366 5.336 3.909 1.00 0.00 C ATOM 514 C LEU A 35 -11.461 6.403 3.951 1.00 0.00 C ATOM 515 O LEU A 35 -11.170 7.598 3.920 1.00 0.00 O ATOM 516 CB LEU A 35 -9.654 5.239 2.558 1.00 0.00 C ATOM 517 CG LEU A 35 -8.127 5.152 2.609 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.508 5.596 1.283 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.572 5.946 3.794 1.00 0.00 C ATOM 0 H LEU A 35 -11.398 3.555 3.516 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.602 5.635 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.031 4.361 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.929 6.109 1.962 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.849 4.109 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.422 5.525 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.868 4.953 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.792 6.628 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.485 5.868 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.859 6.993 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.976 5.544 4.723 1.00 0.00 H new ATOM 531 N ALA A 36 -12.698 5.934 4.022 1.00 0.00 N ATOM 532 CA ALA A 36 -13.838 6.834 4.070 1.00 0.00 C ATOM 533 C ALA A 36 -13.775 7.663 5.354 1.00 0.00 C ATOM 534 O ALA A 36 -13.898 8.886 5.313 1.00 0.00 O ATOM 535 CB ALA A 36 -15.132 6.024 3.962 1.00 0.00 C ATOM 0 H ALA A 36 -12.936 4.942 4.047 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.815 7.527 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.988 6.698 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.141 5.476 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.190 5.319 4.792 1.00 0.00 H new ATOM 541 N PRO A 37 -13.577 6.946 6.492 1.00 0.00 N ATOM 542 CA PRO A 37 -13.496 7.603 7.786 1.00 0.00 C ATOM 543 C PRO A 37 -12.151 8.311 7.957 1.00 0.00 C ATOM 544 O PRO A 37 -11.892 8.915 8.997 1.00 0.00 O ATOM 545 CB PRO A 37 -13.719 6.496 8.803 1.00 0.00 C ATOM 546 CG PRO A 37 -13.454 5.193 8.067 1.00 0.00 C ATOM 547 CD PRO A 37 -13.427 5.496 6.578 1.00 0.00 C ATOM 0 HA PRO A 37 -14.239 8.391 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.047 6.607 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.736 6.524 9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.506 4.761 8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.230 4.462 8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.492 5.167 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.234 4.983 6.055 1.00 0.00 H new ATOM 555 N TYR A 38 -11.330 8.212 6.922 1.00 0.00 N ATOM 556 CA TYR A 38 -10.018 8.836 6.945 1.00 0.00 C ATOM 557 C TYR A 38 -9.877 9.859 5.816 1.00 0.00 C ATOM 558 O TYR A 38 -8.856 10.538 5.713 1.00 0.00 O ATOM 559 CB TYR A 38 -9.010 7.707 6.722 1.00 0.00 C ATOM 560 CG TYR A 38 -8.607 6.971 8.002 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.414 5.971 8.506 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.437 7.306 8.651 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.035 5.279 9.710 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.057 6.613 9.855 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.875 5.634 10.325 1.00 0.00 C ATOM 566 OH TYR A 38 -7.517 4.980 11.463 1.00 0.00 O ATOM 0 H TYR A 38 -11.548 7.709 6.062 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.859 9.359 7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.434 6.989 6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.115 8.119 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.330 5.708 7.997 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.806 8.088 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.658 4.496 10.116 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.143 6.865 10.373 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.599 4.648 11.374 1.00 0.00 H new ATOM 576 N LEU A 39 -10.916 9.937 4.999 1.00 0.00 N ATOM 577 CA LEU A 39 -10.921 10.866 3.881 1.00 0.00 C ATOM 578 C LEU A 39 -11.814 12.062 4.222 1.00 0.00 C ATOM 579 O LEU A 39 -12.023 12.942 3.388 1.00 0.00 O ATOM 580 CB LEU A 39 -11.320 10.149 2.590 1.00 0.00 C ATOM 581 CG LEU A 39 -10.168 9.612 1.738 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.115 8.925 2.610 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.688 8.689 0.633 1.00 0.00 C ATOM 0 H LEU A 39 -11.761 9.372 5.088 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.918 11.256 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.974 9.316 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.906 10.838 1.981 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.681 10.456 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.307 8.552 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.714 9.640 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.572 8.092 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.849 8.321 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.214 7.846 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.371 9.242 -0.012 1.00 0.00 H new ATOM 595 N GLU A 40 -12.316 12.055 5.448 1.00 0.00 N ATOM 596 CA GLU A 40 -13.181 13.128 5.908 1.00 0.00 C ATOM 597 C GLU A 40 -14.441 13.201 5.044 1.00 0.00 C ATOM 598 O GLU A 40 -14.808 14.272 4.564 1.00 0.00 O ATOM 599 CB GLU A 40 -12.440 14.466 5.912 1.00 0.00 C ATOM 600 CG GLU A 40 -11.105 14.352 6.651 1.00 0.00 C ATOM 601 CD GLU A 40 -10.441 15.723 6.798 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.077 16.292 5.747 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.313 16.170 7.958 1.00 0.00 O ATOM 0 H GLU A 40 -12.140 11.323 6.137 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.480 12.913 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.265 14.792 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.059 15.227 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.267 13.915 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.441 13.679 6.109 1.00 0.00 H new ATOM 610 N MET A 41 -15.071 12.048 4.873 1.00 0.00 N ATOM 611 CA MET A 41 -16.282 11.968 4.075 1.00 0.00 C ATOM 612 C MET A 41 -17.528 12.046 4.961 1.00 0.00 C ATOM 613 O MET A 41 -17.426 12.303 6.159 1.00 0.00 O ATOM 614 CB MET A 41 -16.294 10.652 3.294 1.00 0.00 C ATOM 615 CG MET A 41 -15.010 10.490 2.476 1.00 0.00 C ATOM 616 SD MET A 41 -14.852 11.835 1.314 1.00 0.00 S ATOM 617 CE MET A 41 -15.230 10.978 -0.206 1.00 0.00 C ATOM 0 H MET A 41 -14.765 11.161 5.274 1.00 0.00 H new ATOM 0 HA MET A 41 -16.295 12.811 3.384 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.398 9.815 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.158 10.626 2.630 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.146 10.469 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.026 9.539 1.944 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.593 11.692 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.331 10.491 -0.582 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.998 10.227 -0.019 1.00 0.00 H new ATOM 627 N LYS A 42 -18.674 11.820 4.336 1.00 0.00 N ATOM 628 CA LYS A 42 -19.938 11.861 5.053 1.00 0.00 C ATOM 629 C LYS A 42 -20.548 10.459 5.083 1.00 0.00 C ATOM 630 O LYS A 42 -20.528 9.747 4.080 1.00 0.00 O ATOM 631 CB LYS A 42 -20.861 12.921 4.448 1.00 0.00 C ATOM 632 CG LYS A 42 -20.222 14.309 4.518 1.00 0.00 C ATOM 633 CD LYS A 42 -20.677 15.059 5.772 1.00 0.00 C ATOM 634 CE LYS A 42 -19.964 16.408 5.893 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.262 17.037 7.199 1.00 0.00 N ATOM 0 H LYS A 42 -18.754 11.608 3.342 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.780 12.162 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.079 12.669 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.812 12.927 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.136 14.214 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.490 14.882 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.755 15.215 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.472 14.455 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.888 16.268 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -20.281 17.067 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.770 17.951 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.287 17.188 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.938 16.414 7.966 1.00 0.00 H new ATOM 649 N ASP A 43 -21.076 10.103 6.245 1.00 0.00 N ATOM 650 CA ASP A 43 -21.691 8.798 6.420 1.00 0.00 C ATOM 651 C ASP A 43 -22.554 8.478 5.197 1.00 0.00 C ATOM 652 O ASP A 43 -22.438 7.400 4.617 1.00 0.00 O ATOM 653 CB ASP A 43 -22.594 8.776 7.654 1.00 0.00 C ATOM 654 CG ASP A 43 -21.857 8.701 8.993 1.00 0.00 C ATOM 655 OD1 ASP A 43 -20.660 9.060 9.003 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.508 8.287 9.977 1.00 0.00 O ATOM 0 H ASP A 43 -21.091 10.696 7.075 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.895 8.064 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.215 9.672 7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.267 7.922 7.578 1.00 0.00 H new ATOM 661 N SER A 44 -23.399 9.435 4.842 1.00 0.00 N ATOM 662 CA SER A 44 -24.281 9.269 3.699 1.00 0.00 C ATOM 663 C SER A 44 -23.465 8.897 2.459 1.00 0.00 C ATOM 664 O SER A 44 -23.825 7.975 1.729 1.00 0.00 O ATOM 665 CB SER A 44 -25.092 10.540 3.440 1.00 0.00 C ATOM 666 OG SER A 44 -24.257 11.684 3.285 1.00 0.00 O ATOM 0 H SER A 44 -23.492 10.328 5.326 1.00 0.00 H new ATOM 0 HA SER A 44 -24.981 8.463 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.696 10.408 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.782 10.704 4.267 1.00 0.00 H new ATOM 0 HG SER A 44 -24.812 12.474 3.120 1.00 0.00 H new ATOM 672 N GLU A 45 -22.382 9.633 2.260 1.00 0.00 N ATOM 673 CA GLU A 45 -21.513 9.393 1.121 1.00 0.00 C ATOM 674 C GLU A 45 -21.159 7.907 1.027 1.00 0.00 C ATOM 675 O GLU A 45 -21.376 7.278 -0.007 1.00 0.00 O ATOM 676 CB GLU A 45 -20.250 10.252 1.204 1.00 0.00 C ATOM 677 CG GLU A 45 -20.179 11.236 0.034 1.00 0.00 C ATOM 678 CD GLU A 45 -19.876 10.508 -1.277 1.00 0.00 C ATOM 679 OE1 GLU A 45 -20.852 10.049 -1.909 1.00 0.00 O ATOM 680 OE2 GLU A 45 -18.676 10.428 -1.618 1.00 0.00 O ATOM 0 H GLU A 45 -22.086 10.396 2.869 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.048 9.678 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.240 10.800 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.369 9.611 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.124 11.771 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.407 11.981 0.227 1.00 0.00 H new ATOM 687 N ILE A 46 -20.622 7.389 2.122 1.00 0.00 N ATOM 688 CA ILE A 46 -20.236 5.989 2.176 1.00 0.00 C ATOM 689 C ILE A 46 -21.420 5.122 1.743 1.00 0.00 C ATOM 690 O ILE A 46 -21.250 4.166 0.988 1.00 0.00 O ATOM 691 CB ILE A 46 -19.691 5.637 3.562 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.471 6.495 3.905 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.388 4.141 3.668 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.142 6.409 5.396 1.00 0.00 C ATOM 0 H ILE A 46 -20.445 7.914 2.979 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.422 5.790 1.479 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.461 5.862 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.613 6.164 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.663 7.532 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.002 3.918 4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.302 3.572 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.644 3.867 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.271 7.028 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.993 6.764 5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.927 5.374 5.662 1.00 0.00 H new ATOM 706 N ARG A 47 -22.593 5.486 2.240 1.00 0.00 N ATOM 707 CA ARG A 47 -23.804 4.753 1.914 1.00 0.00 C ATOM 708 C ARG A 47 -24.157 4.942 0.437 1.00 0.00 C ATOM 709 O ARG A 47 -24.499 3.981 -0.251 1.00 0.00 O ATOM 710 CB ARG A 47 -24.979 5.220 2.775 1.00 0.00 C ATOM 711 CG ARG A 47 -25.056 4.420 4.077 1.00 0.00 C ATOM 712 CD ARG A 47 -26.484 3.935 4.339 1.00 0.00 C ATOM 713 NE ARG A 47 -26.532 3.161 5.599 1.00 0.00 N ATOM 714 CZ ARG A 47 -27.559 2.380 5.963 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.628 2.264 5.164 1.00 0.00 N ATOM 716 NH2 ARG A 47 -27.516 1.715 7.125 1.00 0.00 N ATOM 0 H ARG A 47 -22.730 6.279 2.866 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.617 3.698 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.870 6.281 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.910 5.107 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.382 3.565 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.720 5.039 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.161 4.787 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.825 3.316 3.509 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.734 3.226 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.660 2.770 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.409 1.670 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.702 1.803 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.298 1.121 7.402 1.00 0.00 H new ATOM 730 N GLN A 48 -24.062 6.186 -0.007 1.00 0.00 N ATOM 731 CA GLN A 48 -24.366 6.513 -1.390 1.00 0.00 C ATOM 732 C GLN A 48 -23.553 5.627 -2.336 1.00 0.00 C ATOM 733 O GLN A 48 -24.118 4.926 -3.174 1.00 0.00 O ATOM 734 CB GLN A 48 -24.112 7.995 -1.672 1.00 0.00 C ATOM 735 CG GLN A 48 -25.160 8.872 -0.984 1.00 0.00 C ATOM 736 CD GLN A 48 -26.574 8.477 -1.415 1.00 0.00 C ATOM 737 OE1 GLN A 48 -27.398 8.055 -0.620 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.808 8.636 -2.715 1.00 0.00 N ATOM 0 H GLN A 48 -23.779 6.980 0.567 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.425 6.321 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.117 8.270 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.133 8.173 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.066 8.777 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.981 9.919 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.073 8.994 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.722 8.400 -3.101 1.00 0.00 H new ATOM 747 N ILE A 49 -22.240 5.688 -2.171 1.00 0.00 N ATOM 748 CA ILE A 49 -21.344 4.901 -3.000 1.00 0.00 C ATOM 749 C ILE A 49 -21.884 3.473 -3.114 1.00 0.00 C ATOM 750 O ILE A 49 -22.348 3.064 -4.177 1.00 0.00 O ATOM 751 CB ILE A 49 -19.913 4.976 -2.463 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.315 6.366 -2.690 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.042 3.872 -3.067 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.350 6.738 -1.563 1.00 0.00 C ATOM 0 H ILE A 49 -21.775 6.271 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.303 5.309 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.943 4.810 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.790 6.389 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.114 7.105 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.030 3.948 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.460 2.898 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.014 3.982 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.939 7.730 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.883 6.738 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.539 6.011 -1.524 1.00 0.00 H new ATOM 766 N GLU A 50 -21.805 2.755 -2.003 1.00 0.00 N ATOM 767 CA GLU A 50 -22.280 1.382 -1.965 1.00 0.00 C ATOM 768 C GLU A 50 -23.542 1.233 -2.817 1.00 0.00 C ATOM 769 O GLU A 50 -23.616 0.357 -3.676 1.00 0.00 O ATOM 770 CB GLU A 50 -22.533 0.929 -0.526 1.00 0.00 C ATOM 771 CG GLU A 50 -21.485 -0.092 -0.080 1.00 0.00 C ATOM 772 CD GLU A 50 -21.261 -0.024 1.432 1.00 0.00 C ATOM 773 OE1 GLU A 50 -21.326 1.105 1.965 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.030 -1.102 2.021 1.00 0.00 O ATOM 0 H GLU A 50 -21.420 3.098 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.506 0.739 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.511 1.792 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.528 0.491 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.808 -1.095 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.545 0.096 -0.599 1.00 0.00 H new ATOM 781 N CYS A 51 -24.505 2.104 -2.548 1.00 0.00 N ATOM 782 CA CYS A 51 -25.761 2.080 -3.279 1.00 0.00 C ATOM 783 C CYS A 51 -25.450 2.213 -4.771 1.00 0.00 C ATOM 784 O CYS A 51 -25.835 1.358 -5.568 1.00 0.00 O ATOM 785 CB CYS A 51 -26.717 3.172 -2.795 1.00 0.00 C ATOM 786 SG CYS A 51 -28.356 2.961 -3.582 1.00 0.00 S ATOM 0 H CYS A 51 -24.440 2.830 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.273 1.135 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.816 3.126 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.312 4.155 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.161 3.892 -3.163 1.00 0.00 H new ATOM 792 N ASP A 52 -24.757 3.292 -5.105 1.00 0.00 N ATOM 793 CA ASP A 52 -24.391 3.548 -6.488 1.00 0.00 C ATOM 794 C ASP A 52 -23.966 2.235 -7.150 1.00 0.00 C ATOM 795 O ASP A 52 -24.483 1.873 -8.205 1.00 0.00 O ATOM 796 CB ASP A 52 -23.215 4.523 -6.574 1.00 0.00 C ATOM 797 CG ASP A 52 -23.440 5.727 -7.492 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.980 6.734 -6.985 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.067 5.613 -8.679 1.00 0.00 O ATOM 0 H ASP A 52 -24.439 3.999 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.256 3.980 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.990 4.886 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.336 3.979 -6.921 1.00 0.00 H new ATOM 804 N SER A 53 -23.029 1.559 -6.502 1.00 0.00 N ATOM 805 CA SER A 53 -22.529 0.295 -7.014 1.00 0.00 C ATOM 806 C SER A 53 -22.176 -0.638 -5.854 1.00 0.00 C ATOM 807 O SER A 53 -21.546 -0.217 -4.885 1.00 0.00 O ATOM 808 CB SER A 53 -21.309 0.509 -7.913 1.00 0.00 C ATOM 809 OG SER A 53 -21.647 1.191 -9.118 1.00 0.00 O ATOM 0 H SER A 53 -22.603 1.863 -5.627 1.00 0.00 H new ATOM 0 HA SER A 53 -23.314 -0.164 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.556 1.081 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.863 -0.456 -8.155 1.00 0.00 H new ATOM 0 HG SER A 53 -20.892 1.148 -9.741 1.00 0.00 H new ATOM 815 N GLU A 54 -22.598 -1.886 -5.990 1.00 0.00 N ATOM 816 CA GLU A 54 -22.335 -2.881 -4.965 1.00 0.00 C ATOM 817 C GLU A 54 -21.094 -3.701 -5.327 1.00 0.00 C ATOM 818 O GLU A 54 -21.030 -4.895 -5.041 1.00 0.00 O ATOM 819 CB GLU A 54 -23.549 -3.788 -4.757 1.00 0.00 C ATOM 820 CG GLU A 54 -24.653 -3.059 -3.988 1.00 0.00 C ATOM 821 CD GLU A 54 -26.038 -3.509 -4.457 1.00 0.00 C ATOM 822 OE1 GLU A 54 -26.509 -4.539 -3.929 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.594 -2.813 -5.334 1.00 0.00 O ATOM 0 H GLU A 54 -23.121 -2.231 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.144 -2.364 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.931 -4.118 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.250 -4.682 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.546 -3.253 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.549 -1.983 -4.129 1.00 0.00 H new ATOM 830 N ASP A 55 -20.140 -3.026 -5.952 1.00 0.00 N ATOM 831 CA ASP A 55 -18.906 -3.677 -6.356 1.00 0.00 C ATOM 832 C ASP A 55 -17.733 -3.051 -5.599 1.00 0.00 C ATOM 833 O ASP A 55 -17.477 -1.854 -5.723 1.00 0.00 O ATOM 834 CB ASP A 55 -18.652 -3.495 -7.854 1.00 0.00 C ATOM 835 CG ASP A 55 -18.449 -4.794 -8.637 1.00 0.00 C ATOM 836 OD1 ASP A 55 -18.920 -5.838 -8.137 1.00 0.00 O ATOM 837 OD2 ASP A 55 -17.828 -4.712 -9.719 1.00 0.00 O ATOM 0 H ASP A 55 -20.197 -2.035 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.996 -4.740 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.494 -2.955 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.770 -2.868 -7.984 1.00 0.00 H new ATOM 842 N MET A 56 -17.051 -3.888 -4.831 1.00 0.00 N ATOM 843 CA MET A 56 -15.912 -3.432 -4.053 1.00 0.00 C ATOM 844 C MET A 56 -15.107 -2.383 -4.824 1.00 0.00 C ATOM 845 O MET A 56 -14.924 -1.263 -4.348 1.00 0.00 O ATOM 846 CB MET A 56 -15.011 -4.623 -3.720 1.00 0.00 C ATOM 847 CG MET A 56 -15.325 -5.175 -2.328 1.00 0.00 C ATOM 848 SD MET A 56 -16.842 -6.115 -2.372 1.00 0.00 S ATOM 849 CE MET A 56 -17.940 -4.969 -1.555 1.00 0.00 C ATOM 0 H MET A 56 -17.266 -4.880 -4.731 1.00 0.00 H new ATOM 0 HA MET A 56 -16.282 -2.977 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.148 -5.407 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.966 -4.317 -3.767 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.506 -5.807 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.416 -4.356 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.859 -5.483 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.456 -4.576 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 56 -18.176 -4.147 -2.231 1.00 0.00 H new ATOM 859 N LYS A 57 -14.648 -2.782 -6.001 1.00 0.00 N ATOM 860 CA LYS A 57 -13.868 -1.891 -6.841 1.00 0.00 C ATOM 861 C LYS A 57 -14.617 -0.567 -7.008 1.00 0.00 C ATOM 862 O LYS A 57 -14.158 0.474 -6.540 1.00 0.00 O ATOM 863 CB LYS A 57 -13.521 -2.571 -8.167 1.00 0.00 C ATOM 864 CG LYS A 57 -12.331 -3.519 -8.001 1.00 0.00 C ATOM 865 CD LYS A 57 -11.795 -3.970 -9.362 1.00 0.00 C ATOM 866 CE LYS A 57 -11.616 -5.488 -9.405 1.00 0.00 C ATOM 867 NZ LYS A 57 -10.817 -5.883 -10.587 1.00 0.00 N ATOM 0 H LYS A 57 -14.802 -3.711 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.914 -1.661 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.385 -3.126 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.287 -1.816 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.540 -3.020 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.633 -4.389 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.482 -3.659 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.841 -3.482 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.122 -5.828 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.591 -5.974 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.705 -6.917 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.304 -5.576 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.880 -5.434 -10.539 1.00 0.00 H new ATOM 881 N MET A 58 -15.759 -0.650 -7.675 1.00 0.00 N ATOM 882 CA MET A 58 -16.577 0.528 -7.908 1.00 0.00 C ATOM 883 C MET A 58 -16.616 1.423 -6.668 1.00 0.00 C ATOM 884 O MET A 58 -16.285 2.606 -6.741 1.00 0.00 O ATOM 885 CB MET A 58 -17.999 0.098 -8.273 1.00 0.00 C ATOM 886 CG MET A 58 -18.064 -0.418 -9.712 1.00 0.00 C ATOM 887 SD MET A 58 -18.926 0.755 -10.744 1.00 0.00 S ATOM 888 CE MET A 58 -17.588 1.874 -11.125 1.00 0.00 C ATOM 0 H MET A 58 -16.137 -1.515 -8.061 1.00 0.00 H new ATOM 0 HA MET A 58 -16.138 1.096 -8.728 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.334 -0.681 -7.588 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.679 0.941 -8.154 1.00 0.00 H new ATOM 0 HG2 MET A 58 -17.056 -0.580 -10.095 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.573 -1.381 -9.739 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.899 2.557 -11.915 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.326 2.445 -10.234 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.721 1.304 -11.458 1.00 0.00 H new ATOM 898 N ARG A 59 -17.023 0.824 -5.558 1.00 0.00 N ATOM 899 CA ARG A 59 -17.110 1.552 -4.304 1.00 0.00 C ATOM 900 C ARG A 59 -15.851 2.396 -4.092 1.00 0.00 C ATOM 901 O ARG A 59 -15.936 3.610 -3.910 1.00 0.00 O ATOM 902 CB ARG A 59 -17.279 0.596 -3.122 1.00 0.00 C ATOM 903 CG ARG A 59 -18.577 -0.204 -3.246 1.00 0.00 C ATOM 904 CD ARG A 59 -18.715 -1.209 -2.100 1.00 0.00 C ATOM 905 NE ARG A 59 -19.954 -2.000 -2.266 1.00 0.00 N ATOM 906 CZ ARG A 59 -20.402 -2.891 -1.371 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.715 -3.110 -0.242 1.00 0.00 N ATOM 908 NH2 ARG A 59 -21.538 -3.563 -1.605 1.00 0.00 N ATOM 0 H ARG A 59 -17.296 -0.157 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.983 2.202 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.430 -0.086 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.284 1.161 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.429 0.476 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.594 -0.731 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.850 -1.872 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.735 -0.684 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.502 -1.858 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.851 -2.598 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.056 -3.788 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.061 -3.396 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.879 -4.241 -0.924 1.00 0.00 H new ATOM 922 N ALA A 60 -14.712 1.720 -4.121 1.00 0.00 N ATOM 923 CA ALA A 60 -13.437 2.391 -3.934 1.00 0.00 C ATOM 924 C ALA A 60 -13.333 3.561 -4.916 1.00 0.00 C ATOM 925 O ALA A 60 -13.239 4.716 -4.503 1.00 0.00 O ATOM 926 CB ALA A 60 -12.299 1.384 -4.105 1.00 0.00 C ATOM 0 H ALA A 60 -14.646 0.713 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.362 2.798 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.343 1.888 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.402 0.589 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.340 0.956 -5.106 1.00 0.00 H new ATOM 932 N LYS A 61 -13.354 3.220 -6.196 1.00 0.00 N ATOM 933 CA LYS A 61 -13.263 4.227 -7.240 1.00 0.00 C ATOM 934 C LYS A 61 -14.163 5.411 -6.880 1.00 0.00 C ATOM 935 O LYS A 61 -13.679 6.524 -6.680 1.00 0.00 O ATOM 936 CB LYS A 61 -13.573 3.612 -8.606 1.00 0.00 C ATOM 937 CG LYS A 61 -13.071 4.511 -9.738 1.00 0.00 C ATOM 938 CD LYS A 61 -13.913 4.324 -11.002 1.00 0.00 C ATOM 939 CE LYS A 61 -13.360 5.158 -12.158 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.311 5.167 -13.292 1.00 0.00 N ATOM 0 H LYS A 61 -13.433 2.261 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.245 4.610 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.105 2.630 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.648 3.461 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.109 5.554 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.028 4.281 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.925 3.271 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.945 4.613 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.176 6.178 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.402 4.751 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.920 5.738 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.467 4.193 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.216 5.576 -12.983 1.00 0.00 H new ATOM 954 N GLN A 62 -15.456 5.130 -6.809 1.00 0.00 N ATOM 955 CA GLN A 62 -16.427 6.158 -6.476 1.00 0.00 C ATOM 956 C GLN A 62 -15.891 7.053 -5.357 1.00 0.00 C ATOM 957 O GLN A 62 -15.875 8.276 -5.490 1.00 0.00 O ATOM 958 CB GLN A 62 -17.770 5.537 -6.086 1.00 0.00 C ATOM 959 CG GLN A 62 -18.499 4.990 -7.315 1.00 0.00 C ATOM 960 CD GLN A 62 -19.624 5.931 -7.750 1.00 0.00 C ATOM 961 OE1 GLN A 62 -20.799 5.610 -7.680 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.201 7.108 -8.202 1.00 0.00 N ATOM 0 H GLN A 62 -15.853 4.206 -6.976 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.592 6.775 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.608 4.734 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.391 6.285 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.791 4.861 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.910 4.006 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.202 7.313 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.875 7.806 -8.516 1.00 0.00 H new ATOM 971 N LEU A 63 -15.466 6.410 -4.280 1.00 0.00 N ATOM 972 CA LEU A 63 -14.931 7.132 -3.139 1.00 0.00 C ATOM 973 C LEU A 63 -13.767 8.012 -3.598 1.00 0.00 C ATOM 974 O LEU A 63 -13.825 9.235 -3.484 1.00 0.00 O ATOM 975 CB LEU A 63 -14.563 6.162 -2.015 1.00 0.00 C ATOM 976 CG LEU A 63 -13.774 6.757 -0.847 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.609 7.793 -0.093 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.252 5.656 0.079 1.00 0.00 C ATOM 0 H LEU A 63 -15.481 5.396 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.687 7.796 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.482 5.727 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.981 5.346 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.905 7.277 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.025 8.200 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.889 8.599 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.509 7.319 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.695 6.106 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.092 5.088 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.597 4.989 -0.482 1.00 0.00 H new ATOM 990 N LEU A 64 -12.735 7.355 -4.108 1.00 0.00 N ATOM 991 CA LEU A 64 -11.559 8.062 -4.585 1.00 0.00 C ATOM 992 C LEU A 64 -11.997 9.304 -5.363 1.00 0.00 C ATOM 993 O LEU A 64 -11.442 10.386 -5.175 1.00 0.00 O ATOM 994 CB LEU A 64 -10.656 7.121 -5.386 1.00 0.00 C ATOM 995 CG LEU A 64 -9.784 6.168 -4.566 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.032 6.351 -3.067 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.991 4.718 -5.008 1.00 0.00 C ATOM 0 H LEU A 64 -12.689 6.340 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.956 8.407 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.283 6.527 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.005 7.725 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.739 6.415 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.400 5.662 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.794 7.376 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.079 6.146 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.360 4.061 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.036 4.441 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.725 4.617 -6.060 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.988 9.108 -6.220 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.506 10.199 -7.027 1.00 0.00 C ATOM 1011 C VAL A 65 -14.130 11.254 -6.111 1.00 0.00 C ATOM 1012 O VAL A 65 -13.685 12.401 -6.086 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.486 9.659 -8.071 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -14.823 10.728 -9.112 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -13.936 8.397 -8.738 1.00 0.00 C ATOM 0 H VAL A 65 -13.446 8.210 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.699 10.683 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.409 9.391 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.521 10.318 -9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.278 11.587 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.911 11.042 -9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.652 8.034 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.992 8.628 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.772 7.628 -7.983 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.150 10.829 -5.381 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.840 11.722 -4.466 1.00 0.00 C ATOM 1027 C ALA A 66 -14.816 12.394 -3.548 1.00 0.00 C ATOM 1028 O ALA A 66 -15.063 13.481 -3.028 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.896 10.938 -3.685 1.00 0.00 C ATOM 0 H ALA A 66 -15.516 9.877 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.358 12.508 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.413 11.608 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.615 10.505 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.413 10.141 -3.119 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.689 11.719 -3.378 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.627 12.237 -2.532 1.00 0.00 C ATOM 1037 C TRP A 67 -11.807 13.231 -3.358 1.00 0.00 C ATOM 1038 O TRP A 67 -11.524 14.338 -2.902 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.782 11.100 -1.954 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.422 11.547 -1.415 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.155 12.159 -0.253 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.145 11.392 -2.070 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.805 12.408 -0.111 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.171 11.927 -1.251 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.823 10.819 -3.313 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.812 11.941 -1.585 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.461 10.841 -3.632 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.468 11.376 -2.819 1.00 0.00 C ATOM 0 H TRP A 67 -13.488 10.818 -3.812 1.00 0.00 H new ATOM 0 HA TRP A 67 -13.041 12.759 -1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.340 10.619 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.625 10.348 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.902 12.424 0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.355 12.862 0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.568 10.395 -3.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.069 12.365 -0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.160 10.412 -4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.436 11.356 -3.138 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.449 12.800 -4.558 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.668 13.638 -5.452 1.00 0.00 C ATOM 1061 C GLN A 68 -11.430 14.924 -5.775 1.00 0.00 C ATOM 1062 O GLN A 68 -10.822 15.957 -6.051 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.300 12.882 -6.730 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.661 13.820 -7.757 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.386 13.087 -9.072 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -9.988 13.354 -10.098 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.445 12.152 -8.983 1.00 0.00 N ATOM 0 H GLN A 68 -11.685 11.881 -4.933 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.739 13.907 -4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.610 12.073 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.193 12.424 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.321 14.668 -7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.729 14.221 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.980 11.980 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.188 11.607 -9.806 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.750 14.820 -5.729 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.601 15.963 -6.014 1.00 0.00 C ATOM 1078 C ASP A 69 -13.889 16.715 -4.713 1.00 0.00 C ATOM 1079 O ASP A 69 -14.026 17.937 -4.716 1.00 0.00 O ATOM 1080 CB ASP A 69 -14.939 15.518 -6.609 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.057 15.678 -8.126 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -14.172 16.352 -8.696 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.029 15.123 -8.681 1.00 0.00 O ATOM 0 H ASP A 69 -13.251 13.962 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.082 16.601 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.102 14.470 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.738 16.089 -6.135 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.972 15.953 -3.632 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.240 16.533 -2.327 1.00 0.00 C ATOM 1090 C GLN A 70 -13.174 17.572 -1.978 1.00 0.00 C ATOM 1091 O GLN A 70 -13.486 18.746 -1.782 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.322 15.448 -1.251 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.981 16.016 0.128 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.795 15.324 1.223 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.994 15.130 1.111 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.079 14.964 2.284 1.00 0.00 N ATOM 0 H GLN A 70 -13.858 14.939 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.207 17.034 -2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.325 15.022 -1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.635 14.637 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.917 15.887 0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.181 17.087 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.078 15.157 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.531 14.495 3.069 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.936 17.104 -1.910 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.821 17.979 -1.588 1.00 0.00 C ATOM 1107 C GLU A 71 -10.459 18.844 -2.797 1.00 0.00 C ATOM 1108 O GLU A 71 -10.161 20.028 -2.650 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.613 17.172 -1.109 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.021 16.153 -0.043 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.416 14.820 -0.682 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.604 14.313 -1.485 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.522 14.339 -0.352 1.00 0.00 O ATOM 0 H GLU A 71 -11.680 16.130 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.123 18.637 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.157 16.656 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.859 17.846 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.195 15.997 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.856 16.544 0.538 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.497 18.218 -3.964 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.176 18.916 -5.198 1.00 0.00 C ATOM 1122 C GLY A 72 -8.730 18.647 -5.620 1.00 0.00 C ATOM 1123 O GLY A 72 -8.354 17.502 -5.866 1.00 0.00 O ATOM 0 H GLY A 72 -10.745 17.236 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.855 18.596 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.326 19.987 -5.064 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.958 19.722 -5.691 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.562 19.617 -6.079 1.00 0.00 C ATOM 1129 C VAL A 73 -5.730 19.200 -4.864 1.00 0.00 C ATOM 1130 O VAL A 73 -4.543 18.903 -4.993 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.091 20.932 -6.703 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.055 21.395 -7.797 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.913 22.013 -5.635 1.00 0.00 C ATOM 0 H VAL A 73 -8.273 20.670 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.434 18.848 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.120 20.755 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.697 22.332 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.110 20.637 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.046 21.547 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.578 22.937 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.864 22.186 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.171 21.686 -4.907 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.385 19.191 -3.713 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.720 18.815 -2.477 1.00 0.00 C ATOM 1145 C HIS A 74 -5.804 17.299 -2.289 1.00 0.00 C ATOM 1146 O HIS A 74 -5.523 16.788 -1.206 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.298 19.592 -1.292 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.533 21.057 -1.574 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.716 22.057 -1.075 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -7.499 21.679 -2.309 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -6.180 23.225 -1.496 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -7.285 22.989 -2.260 1.00 0.00 N ATOM 0 H HIS A 74 -7.369 19.438 -3.610 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.664 19.081 -2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.242 19.134 -0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.619 19.500 -0.444 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.302 21.189 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.757 24.194 -1.273 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.853 23.701 -2.718 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.192 16.623 -3.360 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.316 15.176 -3.327 1.00 0.00 C ATOM 1162 C ALA A 75 -5.107 14.548 -4.023 1.00 0.00 C ATOM 1163 O ALA A 75 -5.201 14.123 -5.174 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.641 14.762 -3.972 1.00 0.00 C ATOM 0 H ALA A 75 -6.425 17.051 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.327 14.815 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.734 13.676 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.469 15.210 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.665 15.105 -5.006 1.00 0.00 H new ATOM 1170 N THR A 76 -4.000 14.510 -3.297 1.00 0.00 N ATOM 1171 CA THR A 76 -2.774 13.942 -3.831 1.00 0.00 C ATOM 1172 C THR A 76 -2.580 12.514 -3.317 1.00 0.00 C ATOM 1173 O THR A 76 -3.216 12.108 -2.345 1.00 0.00 O ATOM 1174 CB THR A 76 -1.621 14.880 -3.468 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.814 15.148 -2.082 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.750 16.251 -4.135 1.00 0.00 C ATOM 0 H THR A 76 -3.926 14.863 -2.343 1.00 0.00 H new ATOM 0 HA THR A 76 -2.816 13.860 -4.917 1.00 0.00 H new ATOM 0 HB THR A 76 -0.675 14.422 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.315 15.984 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.907 16.878 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.756 16.130 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.680 16.724 -3.818 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.676 11.771 -4.009 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.390 10.397 -3.633 1.00 0.00 C ATOM 1186 C PRO A 77 -0.522 10.343 -2.374 1.00 0.00 C ATOM 1187 O PRO A 77 -0.460 9.314 -1.703 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.711 9.789 -4.849 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.224 10.962 -5.684 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.904 12.218 -5.165 1.00 0.00 C ATOM 0 HA PRO A 77 -2.288 9.836 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.120 9.149 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.406 9.168 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.859 11.057 -5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.462 10.806 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.173 12.976 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.548 12.662 -5.924 1.00 0.00 H new ATOM 1198 N GLU A 78 0.126 11.463 -2.092 1.00 0.00 N ATOM 1199 CA GLU A 78 0.987 11.556 -0.925 1.00 0.00 C ATOM 1200 C GLU A 78 0.147 11.675 0.347 1.00 0.00 C ATOM 1201 O GLU A 78 0.536 11.175 1.402 1.00 0.00 O ATOM 1202 CB GLU A 78 1.958 12.731 -1.053 1.00 0.00 C ATOM 1203 CG GLU A 78 3.242 12.470 -0.262 1.00 0.00 C ATOM 1204 CD GLU A 78 3.651 13.706 0.543 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.732 14.366 1.074 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.873 13.962 0.608 1.00 0.00 O ATOM 0 H GLU A 78 0.072 12.314 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 78 1.579 10.643 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.200 12.894 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.482 13.642 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.093 11.626 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.045 12.195 -0.946 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.991 12.339 0.207 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.890 12.530 1.332 1.00 0.00 C ATOM 1215 C ASN A 79 -2.662 11.234 1.588 1.00 0.00 C ATOM 1216 O ASN A 79 -2.768 10.785 2.728 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.906 13.637 1.044 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.417 14.984 1.580 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.472 15.069 2.347 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.111 16.027 1.135 1.00 0.00 N ATOM 0 H ASN A 79 -1.311 12.752 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.291 12.808 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.076 13.709 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.863 13.385 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.863 16.970 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.891 15.884 0.494 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.182 10.670 0.508 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.942 9.434 0.601 1.00 0.00 C ATOM 1229 C LEU A 80 -3.106 8.380 1.330 1.00 0.00 C ATOM 1230 O LEU A 80 -3.549 7.812 2.326 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.417 8.992 -0.785 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.633 8.063 -0.812 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.770 8.623 0.046 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.081 7.788 -2.249 1.00 0.00 C ATOM 0 H LEU A 80 -3.092 11.046 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.847 9.586 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.652 9.883 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.590 8.491 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.342 7.107 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.622 7.944 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.431 8.725 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.068 9.599 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.946 7.125 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.348 8.727 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.268 7.315 -2.799 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.911 8.152 0.804 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.009 7.176 1.392 1.00 0.00 C ATOM 1248 C ILE A 81 -0.870 7.455 2.890 1.00 0.00 C ATOM 1249 O ILE A 81 -0.952 6.538 3.706 1.00 0.00 O ATOM 1250 CB ILE A 81 0.325 7.160 0.643 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.147 6.628 -0.781 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.381 6.373 1.421 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.445 6.760 -1.581 1.00 0.00 C ATOM 0 H ILE A 81 -1.547 8.626 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.417 6.170 1.291 1.00 0.00 H new ATOM 0 HB ILE A 81 0.684 8.186 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.159 5.582 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.650 7.177 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.320 6.377 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.534 6.835 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.043 5.345 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.292 6.375 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.735 7.809 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.234 6.190 -1.091 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.660 8.725 3.206 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.508 9.136 4.591 1.00 0.00 C ATOM 1267 C ASN A 82 -1.758 8.734 5.378 1.00 0.00 C ATOM 1268 O ASN A 82 -1.665 8.347 6.542 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.348 10.653 4.701 1.00 0.00 C ATOM 1270 CG ASN A 82 0.753 11.017 5.699 1.00 0.00 C ATOM 1271 OD1 ASN A 82 0.514 11.230 6.876 1.00 0.00 O ATOM 1272 ND2 ASN A 82 1.969 11.077 5.164 1.00 0.00 N ATOM 0 H ASN A 82 -0.592 9.482 2.526 1.00 0.00 H new ATOM 0 HA ASN A 82 0.382 8.650 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.109 11.069 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.291 11.100 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.772 11.313 5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.099 10.887 4.170 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.897 8.840 4.711 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.164 8.493 5.333 1.00 0.00 C ATOM 1281 C ALA A 83 -4.266 6.971 5.456 1.00 0.00 C ATOM 1282 O ALA A 83 -4.817 6.459 6.429 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.313 9.090 4.519 1.00 0.00 C ATOM 0 H ALA A 83 -2.970 9.161 3.746 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.225 8.910 6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.263 8.830 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.210 10.175 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.286 8.692 3.505 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.726 6.291 4.456 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.750 4.838 4.440 1.00 0.00 C ATOM 1291 C LEU A 84 -2.960 4.306 5.637 1.00 0.00 C ATOM 1292 O LEU A 84 -3.428 3.421 6.351 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.254 4.308 3.093 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.145 4.609 1.885 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.316 4.708 0.603 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.269 3.579 1.763 1.00 0.00 C ATOM 0 H LEU A 84 -3.269 6.719 3.651 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.772 4.474 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.265 4.725 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.135 3.227 3.172 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.614 5.581 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.973 4.922 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.583 5.509 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.800 3.764 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.887 3.816 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.840 2.585 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.882 3.601 2.664 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.774 4.869 5.821 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.915 4.463 6.920 1.00 0.00 C ATOM 1310 C ASN A 85 -1.730 4.430 8.214 1.00 0.00 C ATOM 1311 O ASN A 85 -1.914 3.369 8.809 1.00 0.00 O ATOM 1312 CB ASN A 85 0.238 5.451 7.112 1.00 0.00 C ATOM 1313 CG ASN A 85 1.581 4.796 6.785 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.027 3.871 7.443 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.200 5.326 5.733 1.00 0.00 N ATOM 0 H ASN A 85 -1.388 5.603 5.227 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.511 3.478 6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.088 6.320 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.246 5.811 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.103 4.958 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.771 6.100 5.225 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.197 5.605 8.612 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.988 5.724 9.824 1.00 0.00 C ATOM 1324 C LYS A 86 -4.129 4.706 9.786 1.00 0.00 C ATOM 1325 O LYS A 86 -4.394 4.026 10.776 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.457 7.167 10.018 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.196 7.674 8.779 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.517 9.165 8.903 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.307 9.451 10.181 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.537 10.905 10.334 1.00 0.00 N ATOM 0 H LYS A 86 -2.042 6.483 8.116 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.381 5.490 10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.113 7.226 10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.599 7.808 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.586 7.502 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.119 7.110 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.592 9.741 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.091 9.490 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.262 8.927 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.763 9.070 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.075 11.082 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.623 11.398 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.076 11.259 9.518 1.00 0.00 H new ATOM 1344 N SER A 87 -4.775 4.632 8.631 1.00 0.00 N ATOM 1345 CA SER A 87 -5.882 3.709 8.450 1.00 0.00 C ATOM 1346 C SER A 87 -5.382 2.266 8.549 1.00 0.00 C ATOM 1347 O SER A 87 -6.179 1.332 8.614 1.00 0.00 O ATOM 1348 CB SER A 87 -6.577 3.938 7.106 1.00 0.00 C ATOM 1349 OG SER A 87 -6.539 2.777 6.281 1.00 0.00 O ATOM 0 H SER A 87 -4.552 5.197 7.811 1.00 0.00 H new ATOM 0 HA SER A 87 -6.610 3.890 9.241 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.614 4.226 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.098 4.768 6.587 1.00 0.00 H new ATOM 0 HG SER A 87 -5.613 2.594 6.016 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.064 2.130 8.558 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.448 0.817 8.648 1.00 0.00 C ATOM 1357 C GLY A 88 -3.410 0.134 7.280 1.00 0.00 C ATOM 1358 O GLY A 88 -3.224 -1.079 7.193 1.00 0.00 O ATOM 0 H GLY A 88 -3.406 2.907 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.435 0.913 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.004 0.198 9.352 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.591 0.942 6.245 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.581 0.430 4.886 1.00 0.00 C ATOM 1364 C LEU A 89 -2.166 0.542 4.314 1.00 0.00 C ATOM 1365 O LEU A 89 -1.992 0.720 3.110 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.643 1.135 4.040 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.058 0.557 4.122 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.293 -0.127 5.470 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.107 1.633 3.835 1.00 0.00 C ATOM 0 H LEU A 89 -3.745 1.947 6.321 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.848 -0.627 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.682 2.182 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.323 1.113 2.998 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.161 -0.207 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.306 -0.529 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.576 -0.938 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.165 0.598 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.103 1.196 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.015 2.436 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.951 2.035 2.834 1.00 0.00 H new ATOM 1381 N SER A 90 -1.192 0.433 5.206 1.00 0.00 N ATOM 1382 CA SER A 90 0.202 0.520 4.805 1.00 0.00 C ATOM 1383 C SER A 90 0.402 -0.168 3.453 1.00 0.00 C ATOM 1384 O SER A 90 1.205 0.281 2.637 1.00 0.00 O ATOM 1385 CB SER A 90 1.118 -0.106 5.859 1.00 0.00 C ATOM 1386 OG SER A 90 2.067 0.829 6.365 1.00 0.00 O ATOM 0 H SER A 90 -1.341 0.285 6.204 1.00 0.00 H new ATOM 0 HA SER A 90 0.466 1.573 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.515 -0.491 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.643 -0.956 5.424 1.00 0.00 H new ATOM 0 HG SER A 90 2.631 0.391 7.036 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.343 -1.246 3.257 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.258 -2.000 2.018 1.00 0.00 C ATOM 1394 C ASP A 91 -0.470 -1.053 0.835 1.00 0.00 C ATOM 1395 O ASP A 91 0.352 -1.002 -0.079 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.337 -3.083 1.957 1.00 0.00 C ATOM 1397 CG ASP A 91 -0.843 -4.464 1.521 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.241 -4.509 0.901 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.561 -5.443 1.819 1.00 0.00 O ATOM 0 H ASP A 91 -1.009 -1.615 3.936 1.00 0.00 H new ATOM 0 HA ASP A 91 0.725 -2.469 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.797 -3.172 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.117 -2.759 1.269 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.577 -0.327 0.890 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.907 0.615 -0.166 1.00 0.00 C ATOM 1406 C LEU A 92 -0.774 1.632 -0.309 1.00 0.00 C ATOM 1407 O LEU A 92 -0.332 1.923 -1.419 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.275 1.250 0.092 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.467 0.575 -0.589 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.864 1.321 -1.865 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.182 -0.904 -0.855 1.00 0.00 C ATOM 0 H LEU A 92 -2.257 -0.372 1.649 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.995 0.100 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.453 1.258 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.238 2.290 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.319 0.621 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.714 0.821 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.138 2.346 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.023 1.328 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.046 -1.360 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.311 -0.996 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.986 -1.412 0.089 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.335 2.146 0.831 1.00 0.00 N ATOM 1424 CA ALA A 93 0.739 3.125 0.847 1.00 0.00 C ATOM 1425 C ALA A 93 1.904 2.611 -0.001 1.00 0.00 C ATOM 1426 O ALA A 93 2.265 3.226 -1.003 1.00 0.00 O ATOM 1427 CB ALA A 93 1.151 3.408 2.293 1.00 0.00 C ATOM 0 H ALA A 93 -0.704 1.903 1.750 1.00 0.00 H new ATOM 0 HA ALA A 93 0.405 4.068 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.957 4.142 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.296 3.798 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.494 2.485 2.761 1.00 0.00 H new ATOM 1433 N GLU A 94 2.459 1.489 0.431 1.00 0.00 N ATOM 1434 CA GLU A 94 3.576 0.885 -0.276 1.00 0.00 C ATOM 1435 C GLU A 94 3.180 0.565 -1.719 1.00 0.00 C ATOM 1436 O GLU A 94 3.940 0.832 -2.648 1.00 0.00 O ATOM 1437 CB GLU A 94 4.070 -0.368 0.448 1.00 0.00 C ATOM 1438 CG GLU A 94 5.057 -0.006 1.560 1.00 0.00 C ATOM 1439 CD GLU A 94 6.501 -0.088 1.060 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.852 0.748 0.200 1.00 0.00 O ATOM 1441 OE2 GLU A 94 7.221 -0.986 1.549 1.00 0.00 O ATOM 0 H GLU A 94 2.156 0.982 1.262 1.00 0.00 H new ATOM 0 HA GLU A 94 4.398 1.600 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.222 -0.906 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.550 -1.039 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.850 1.001 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.922 -0.681 2.405 1.00 0.00 H new ATOM 1448 N SER A 95 1.991 -0.002 -1.860 1.00 0.00 N ATOM 1449 CA SER A 95 1.485 -0.361 -3.174 1.00 0.00 C ATOM 1450 C SER A 95 1.578 0.840 -4.117 1.00 0.00 C ATOM 1451 O SER A 95 2.081 0.719 -5.233 1.00 0.00 O ATOM 1452 CB SER A 95 0.041 -0.860 -3.090 1.00 0.00 C ATOM 1453 OG SER A 95 -0.086 -1.986 -2.226 1.00 0.00 O ATOM 0 H SER A 95 1.364 -0.222 -1.086 1.00 0.00 H new ATOM 0 HA SER A 95 2.099 -1.171 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.601 -0.055 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.309 -1.127 -4.087 1.00 0.00 H new ATOM 0 HG SER A 95 0.330 -1.784 -1.362 1.00 0.00 H new ATOM 1459 N LEU A 96 1.085 1.971 -3.634 1.00 0.00 N ATOM 1460 CA LEU A 96 1.107 3.192 -4.420 1.00 0.00 C ATOM 1461 C LEU A 96 2.558 3.600 -4.681 1.00 0.00 C ATOM 1462 O LEU A 96 3.029 3.540 -5.816 1.00 0.00 O ATOM 1463 CB LEU A 96 0.275 4.282 -3.740 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.221 4.280 -4.058 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.469 4.619 -5.530 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.866 2.951 -3.660 1.00 0.00 C ATOM 0 H LEU A 96 0.668 2.067 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 96 0.642 3.027 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.397 4.185 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.685 5.252 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.697 5.059 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.541 4.611 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.067 5.608 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.977 3.880 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.930 2.977 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.392 2.138 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.737 2.790 -2.590 1.00 0.00 H new ATOM 1478 N THR A 97 3.227 4.006 -3.612 1.00 0.00 N ATOM 1479 CA THR A 97 4.615 4.424 -3.712 1.00 0.00 C ATOM 1480 C THR A 97 5.364 3.551 -4.721 1.00 0.00 C ATOM 1481 O THR A 97 5.700 4.007 -5.813 1.00 0.00 O ATOM 1482 CB THR A 97 5.222 4.386 -2.308 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.858 3.103 -1.806 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.544 5.367 -1.350 1.00 0.00 C ATOM 0 H THR A 97 2.834 4.054 -2.672 1.00 0.00 H new ATOM 0 HA THR A 97 4.695 5.443 -4.089 1.00 0.00 H new ATOM 0 HB THR A 97 6.286 4.614 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.621 2.515 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.013 5.300 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.650 6.382 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.486 5.120 -1.265 1.00 0.00 H new