USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 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 591 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.5) USER MOD Set 1.2: A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot 16:sc= -1.4 USER MOD Single : A 547 HIS : no HE2:sc= -4.88! K(o=-4.9!,f=-3.4) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.5) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= 0 K(o=0,f=0.6) USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 575 HIS : no HD1:sc= -0.654 K(o=-0.65,f=0) USER MOD Single : A 587 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= -0.0529 K(o=-0.053,f=-1.6!) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -43:sc= 0.649 USER MOD Single : A 605 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-5.3!) USER MOD Single : A 607 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.949) USER MOD Single : A 608 LYS NZ :NH3+ -144:sc=-0.00196 (180deg=-0.469) USER MOD Single : A 610 ASN : amide:sc= -0.0843 K(o=-0.084,f=-2!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot -82:sc= 0.0799 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.755 14.640 -1.287 1.00 0.00 N ATOM 142 CA ALA A 542 5.249 13.734 -2.316 1.00 0.00 C ATOM 143 C ALA A 542 4.633 12.347 -2.168 1.00 0.00 C ATOM 144 O ALA A 542 4.568 11.800 -1.068 1.00 0.00 O ATOM 145 CB ALA A 542 6.767 13.650 -2.260 1.00 0.00 C ATOM 0 HA ALA A 542 4.954 14.131 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.123 12.970 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.192 14.640 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.075 13.280 -1.282 1.00 0.00 H new ATOM 151 N LYS A 543 4.183 11.783 -3.284 1.00 0.00 N ATOM 152 CA LYS A 543 3.573 10.459 -3.280 1.00 0.00 C ATOM 153 C LYS A 543 4.611 9.383 -2.980 1.00 0.00 C ATOM 154 O LYS A 543 5.204 8.807 -3.892 1.00 0.00 O ATOM 155 CB LYS A 543 2.906 10.177 -4.628 1.00 0.00 C ATOM 156 CG LYS A 543 1.491 10.719 -4.731 1.00 0.00 C ATOM 157 CD LYS A 543 1.132 11.073 -6.165 1.00 0.00 C ATOM 158 CE LYS A 543 -0.222 11.761 -6.247 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.354 12.580 -7.483 1.00 0.00 N ATOM 0 H LYS A 543 4.229 12.223 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 543 2.816 10.438 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.512 10.613 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.887 9.100 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.788 9.978 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.392 11.603 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.899 11.726 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.119 10.168 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -1.013 11.011 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.359 12.398 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.290 13.032 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.385 13.312 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.249 11.968 -8.318 1.00 0.00 H new ATOM 173 N VAL A 544 4.825 9.115 -1.696 1.00 0.00 N ATOM 174 CA VAL A 544 5.791 8.105 -1.276 1.00 0.00 C ATOM 175 C VAL A 544 5.120 7.014 -0.449 1.00 0.00 C ATOM 176 O VAL A 544 5.660 6.567 0.564 1.00 0.00 O ATOM 177 CB VAL A 544 6.932 8.729 -0.453 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.666 9.782 -1.268 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.394 9.323 0.840 1.00 0.00 C ATOM 0 H VAL A 544 4.343 9.583 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 544 6.206 7.666 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 544 7.642 7.943 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.469 10.211 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.087 9.322 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.969 10.568 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.215 9.760 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.662 10.096 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.920 8.539 1.431 1.00 0.00 H new ATOM 189 N CYS A 545 3.940 6.588 -0.888 1.00 0.00 N ATOM 190 CA CYS A 545 3.194 5.548 -0.188 1.00 0.00 C ATOM 191 C CYS A 545 2.257 4.815 -1.143 1.00 0.00 C ATOM 192 O CYS A 545 1.662 5.422 -2.033 1.00 0.00 O ATOM 193 CB CYS A 545 2.395 6.154 0.966 1.00 0.00 C ATOM 194 SG CYS A 545 3.411 6.733 2.344 1.00 0.00 S ATOM 0 H CYS A 545 3.480 6.947 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 545 3.909 4.829 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.806 6.989 0.587 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.690 5.409 1.336 1.00 0.00 H new ATOM 0 HG CYS A 545 4.647 6.840 1.957 1.00 0.00 H new ATOM 200 N ALA A 546 2.132 3.506 -0.952 1.00 0.00 N ATOM 201 CA ALA A 546 1.267 2.690 -1.796 1.00 0.00 C ATOM 202 C ALA A 546 0.365 1.796 -0.953 1.00 0.00 C ATOM 203 O ALA A 546 0.840 1.036 -0.109 1.00 0.00 O ATOM 204 CB ALA A 546 2.102 1.851 -2.752 1.00 0.00 C ATOM 0 H ALA A 546 2.619 2.988 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 546 0.632 3.358 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.443 1.247 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.700 2.507 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.762 1.197 -2.181 1.00 0.00 H new ATOM 210 N HIS A 547 -0.940 1.890 -1.189 1.00 0.00 N ATOM 211 CA HIS A 547 -1.910 1.088 -0.451 1.00 0.00 C ATOM 212 C HIS A 547 -2.353 -0.119 -1.271 1.00 0.00 C ATOM 213 O HIS A 547 -2.850 0.025 -2.388 1.00 0.00 O ATOM 214 CB HIS A 547 -3.125 1.938 -0.076 1.00 0.00 C ATOM 215 CG HIS A 547 -4.115 1.219 0.788 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.479 1.312 0.608 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.932 0.389 1.841 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.092 0.573 1.516 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.175 0.002 2.276 1.00 0.00 N ATOM 0 H HIS A 547 -1.350 2.513 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.431 0.730 0.460 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.785 2.834 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.623 2.268 -0.988 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.942 1.865 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.984 0.087 2.261 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.161 0.456 1.619 1.00 0.00 H new ATOM 227 N ILE A 548 -2.168 -1.309 -0.709 1.00 0.00 N ATOM 228 CA ILE A 548 -2.549 -2.542 -1.389 1.00 0.00 C ATOM 229 C ILE A 548 -3.892 -3.056 -0.883 1.00 0.00 C ATOM 230 O ILE A 548 -4.090 -3.233 0.319 1.00 0.00 O ATOM 231 CB ILE A 548 -1.487 -3.640 -1.199 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.108 -3.126 -1.619 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.860 -4.881 -1.996 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.031 -4.011 -1.165 1.00 0.00 C ATOM 0 H ILE A 548 -1.757 -1.446 0.214 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.630 -2.306 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.448 -3.907 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 548 -0.078 -3.037 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.037 -2.125 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -1.100 -5.648 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.824 -5.257 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.924 -4.628 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 548 1.978 -3.585 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.027 -4.080 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 548 0.911 -5.007 -1.592 1.00 0.00 H new ATOM 246 N THR A 549 -4.815 -3.296 -1.810 1.00 0.00 N ATOM 247 CA THR A 549 -6.140 -3.791 -1.459 1.00 0.00 C ATOM 248 C THR A 549 -6.506 -5.018 -2.287 1.00 0.00 C ATOM 249 O THR A 549 -5.899 -5.282 -3.324 1.00 0.00 O ATOM 250 CB THR A 549 -7.216 -2.708 -1.663 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.328 -2.384 -3.053 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.879 -1.454 -0.870 1.00 0.00 C ATOM 0 H THR A 549 -4.669 -3.155 -2.810 1.00 0.00 H new ATOM 0 HA THR A 549 -6.106 -4.065 -0.405 1.00 0.00 H new ATOM 0 HB THR A 549 -8.168 -3.101 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.015 -1.696 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.653 -0.703 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.824 -1.698 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.918 -1.061 -1.202 1.00 0.00 H new ATOM 260 N ASN A 550 -7.503 -5.763 -1.822 1.00 0.00 N ATOM 261 CA ASN A 550 -7.950 -6.963 -2.521 1.00 0.00 C ATOM 262 C ASN A 550 -6.897 -8.063 -2.440 1.00 0.00 C ATOM 263 O ASN A 550 -6.548 -8.677 -3.450 1.00 0.00 O ATOM 264 CB ASN A 550 -8.256 -6.641 -3.985 1.00 0.00 C ATOM 265 CG ASN A 550 -9.208 -7.643 -4.610 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.369 -8.758 -4.112 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.843 -7.251 -5.708 1.00 0.00 N ATOM 0 H ASN A 550 -8.017 -5.558 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.859 -7.319 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.688 -5.643 -4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.326 -6.625 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.495 -7.883 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.679 -6.318 -6.086 1.00 0.00 H new ATOM 274 N ILE A 551 -6.396 -8.308 -1.234 1.00 0.00 N ATOM 275 CA ILE A 551 -5.384 -9.336 -1.022 1.00 0.00 C ATOM 276 C ILE A 551 -5.848 -10.359 0.009 1.00 0.00 C ATOM 277 O ILE A 551 -6.542 -10.035 0.973 1.00 0.00 O ATOM 278 CB ILE A 551 -4.049 -8.724 -0.558 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.279 -7.784 0.628 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.378 -7.985 -1.705 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.013 -7.442 1.381 1.00 0.00 C ATOM 0 H ILE A 551 -6.674 -7.809 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.232 -9.833 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.389 -9.530 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.738 -6.863 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.988 -8.246 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.436 -7.558 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.185 -8.680 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.032 -7.186 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.251 -6.773 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.564 -8.355 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.310 -6.951 0.708 1.00 0.00 H new ATOM 293 N PRO A 552 -5.455 -11.625 -0.196 1.00 0.00 N ATOM 294 CA PRO A 552 -5.817 -12.722 0.707 1.00 0.00 C ATOM 295 C PRO A 552 -5.614 -12.356 2.173 1.00 0.00 C ATOM 296 O PRO A 552 -4.529 -11.935 2.574 1.00 0.00 O ATOM 297 CB PRO A 552 -4.861 -13.846 0.299 1.00 0.00 C ATOM 298 CG PRO A 552 -4.554 -13.582 -1.135 1.00 0.00 C ATOM 299 CD PRO A 552 -4.626 -12.083 -1.324 1.00 0.00 C ATOM 0 HA PRO A 552 -6.871 -12.988 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -3.956 -13.835 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.322 -14.825 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.565 -13.958 -1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.268 -14.089 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.635 -11.629 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.075 -11.822 -2.282 1.00 0.00 H new ATOM 307 N PHE A 553 -6.665 -12.521 2.970 1.00 0.00 N ATOM 308 CA PHE A 553 -6.602 -12.209 4.393 1.00 0.00 C ATOM 309 C PHE A 553 -6.068 -13.396 5.188 1.00 0.00 C ATOM 310 O PHE A 553 -6.476 -13.630 6.325 1.00 0.00 O ATOM 311 CB PHE A 553 -7.987 -11.815 4.912 1.00 0.00 C ATOM 312 CG PHE A 553 -9.098 -12.653 4.347 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.347 -13.922 4.845 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.895 -12.172 3.320 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.369 -14.697 4.329 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.918 -12.941 2.801 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.155 -14.205 3.304 1.00 0.00 C ATOM 0 H PHE A 553 -7.570 -12.869 2.654 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.919 -11.370 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.996 -11.898 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.173 -10.768 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.735 -14.310 5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.714 -11.185 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.553 -15.684 4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.533 -12.554 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.953 -14.808 2.897 1.00 0.00 H new ATOM 327 N SER A 554 -5.151 -14.142 4.580 1.00 0.00 N ATOM 328 CA SER A 554 -4.562 -15.308 5.229 1.00 0.00 C ATOM 329 C SER A 554 -3.050 -15.153 5.358 1.00 0.00 C ATOM 330 O SER A 554 -2.421 -15.784 6.208 1.00 0.00 O ATOM 331 CB SER A 554 -4.890 -16.577 4.439 1.00 0.00 C ATOM 332 OG SER A 554 -4.545 -16.432 3.073 1.00 0.00 O ATOM 0 H SER A 554 -4.800 -13.960 3.640 1.00 0.00 H new ATOM 0 HA SER A 554 -4.988 -15.390 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.352 -17.423 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 554 -5.954 -16.799 4.527 1.00 0.00 H new ATOM 0 HG SER A 554 -4.763 -17.257 2.591 1.00 0.00 H new ATOM 338 N ILE A 555 -2.474 -14.309 4.509 1.00 0.00 N ATOM 339 CA ILE A 555 -1.036 -14.069 4.528 1.00 0.00 C ATOM 340 C ILE A 555 -0.646 -13.156 5.686 1.00 0.00 C ATOM 341 O ILE A 555 -1.498 -12.509 6.294 1.00 0.00 O ATOM 342 CB ILE A 555 -0.553 -13.441 3.208 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.028 -11.990 3.104 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.049 -14.253 2.021 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.361 -11.213 1.991 1.00 0.00 C ATOM 0 H ILE A 555 -2.981 -13.780 3.799 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.556 -15.039 4.656 1.00 0.00 H new ATOM 0 HB ILE A 555 0.537 -13.448 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.107 -11.980 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.839 -11.486 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.699 -13.796 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.665 -15.271 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.139 -14.275 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.746 -10.194 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.716 -11.191 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.571 -11.693 1.035 1.00 0.00 H new ATOM 357 N THR A 556 0.648 -13.108 5.984 1.00 0.00 N ATOM 358 CA THR A 556 1.152 -12.274 7.068 1.00 0.00 C ATOM 359 C THR A 556 2.077 -11.184 6.539 1.00 0.00 C ATOM 360 O THR A 556 2.435 -11.177 5.361 1.00 0.00 O ATOM 361 CB THR A 556 1.910 -13.111 8.115 1.00 0.00 C ATOM 362 OG1 THR A 556 3.018 -13.778 7.500 1.00 0.00 O ATOM 363 CG2 THR A 556 0.989 -14.136 8.758 1.00 0.00 C ATOM 0 H THR A 556 1.367 -13.637 5.490 1.00 0.00 H new ATOM 0 HA THR A 556 0.285 -11.813 7.541 1.00 0.00 H new ATOM 0 HB THR A 556 2.276 -12.438 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.496 -14.307 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.547 -14.715 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.162 -13.624 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.597 -14.805 7.991 1.00 0.00 H new ATOM 371 N LYS A 557 2.462 -10.264 7.416 1.00 0.00 N ATOM 372 CA LYS A 557 3.348 -9.169 7.039 1.00 0.00 C ATOM 373 C LYS A 557 4.474 -9.666 6.138 1.00 0.00 C ATOM 374 O LYS A 557 4.635 -9.196 5.013 1.00 0.00 O ATOM 375 CB LYS A 557 3.934 -8.506 8.288 1.00 0.00 C ATOM 376 CG LYS A 557 4.245 -7.031 8.103 1.00 0.00 C ATOM 377 CD LYS A 557 4.144 -6.271 9.416 1.00 0.00 C ATOM 378 CE LYS A 557 5.063 -5.061 9.432 1.00 0.00 C ATOM 379 NZ LYS A 557 5.426 -4.658 10.818 1.00 0.00 N ATOM 0 H LYS A 557 2.174 -10.255 8.394 1.00 0.00 H new ATOM 0 HA LYS A 557 2.762 -8.434 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.231 -8.620 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.847 -9.029 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.248 -6.918 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.554 -6.601 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.114 -5.949 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 557 4.400 -6.934 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.970 -5.286 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 557 4.574 -4.227 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.054 -3.829 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.563 -4.418 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.915 -5.444 11.291 1.00 0.00 H new ATOM 393 N MET A 558 5.250 -10.622 6.640 1.00 0.00 N ATOM 394 CA MET A 558 6.359 -11.184 5.879 1.00 0.00 C ATOM 395 C MET A 558 5.976 -11.365 4.414 1.00 0.00 C ATOM 396 O MET A 558 6.604 -10.790 3.523 1.00 0.00 O ATOM 397 CB MET A 558 6.785 -12.526 6.476 1.00 0.00 C ATOM 398 CG MET A 558 8.248 -12.863 6.230 1.00 0.00 C ATOM 399 SD MET A 558 8.520 -13.653 4.632 1.00 0.00 S ATOM 400 CE MET A 558 9.942 -12.739 4.041 1.00 0.00 C ATOM 0 H MET A 558 5.131 -11.023 7.570 1.00 0.00 H new ATOM 0 HA MET A 558 7.196 -10.487 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.599 -12.512 7.550 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.163 -13.316 6.055 1.00 0.00 H new ATOM 0 HG2 MET A 558 8.841 -11.950 6.285 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.603 -13.522 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.232 -13.112 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.690 -11.681 3.967 1.00 0.00 H new ATOM 0 HE3 MET A 558 10.771 -12.866 4.737 1.00 0.00 H new ATOM 410 N ASP A 559 4.944 -12.165 4.170 1.00 0.00 N ATOM 411 CA ASP A 559 4.478 -12.420 2.813 1.00 0.00 C ATOM 412 C ASP A 559 4.502 -11.141 1.980 1.00 0.00 C ATOM 413 O ASP A 559 5.165 -11.074 0.946 1.00 0.00 O ATOM 414 CB ASP A 559 3.063 -13.001 2.837 1.00 0.00 C ATOM 415 CG ASP A 559 3.053 -14.486 3.143 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.273 -15.285 2.209 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.823 -14.848 4.316 1.00 0.00 O ATOM 0 H ASP A 559 4.414 -12.648 4.895 1.00 0.00 H new ATOM 0 HA ASP A 559 5.152 -13.144 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.470 -12.475 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.586 -12.828 1.872 1.00 0.00 H new ATOM 422 N VAL A 560 3.772 -10.129 2.440 1.00 0.00 N ATOM 423 CA VAL A 560 3.709 -8.852 1.738 1.00 0.00 C ATOM 424 C VAL A 560 5.092 -8.413 1.272 1.00 0.00 C ATOM 425 O VAL A 560 5.286 -8.067 0.107 1.00 0.00 O ATOM 426 CB VAL A 560 3.105 -7.751 2.630 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.072 -6.423 1.890 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.712 -8.147 3.094 1.00 0.00 C ATOM 0 H VAL A 560 3.217 -10.169 3.295 1.00 0.00 H new ATOM 0 HA VAL A 560 3.066 -8.998 0.870 1.00 0.00 H new ATOM 0 HB VAL A 560 3.737 -7.633 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.642 -5.657 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.086 -6.136 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.464 -6.523 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.300 -7.358 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.068 -8.294 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.768 -9.074 3.665 1.00 0.00 H new ATOM 438 N LEU A 561 6.052 -8.428 2.191 1.00 0.00 N ATOM 439 CA LEU A 561 7.420 -8.032 1.875 1.00 0.00 C ATOM 440 C LEU A 561 7.940 -8.791 0.659 1.00 0.00 C ATOM 441 O LEU A 561 8.582 -8.212 -0.218 1.00 0.00 O ATOM 442 CB LEU A 561 8.334 -8.281 3.076 1.00 0.00 C ATOM 443 CG LEU A 561 7.981 -7.525 4.357 1.00 0.00 C ATOM 444 CD1 LEU A 561 9.074 -7.700 5.400 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.756 -6.049 4.061 1.00 0.00 C ATOM 0 H LEU A 561 5.908 -8.710 3.161 1.00 0.00 H new ATOM 0 HA LEU A 561 7.419 -6.967 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.329 -9.349 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.353 -8.018 2.792 1.00 0.00 H new ATOM 0 HG LEU A 561 7.056 -7.940 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.805 -7.155 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 561 9.187 -8.758 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 561 10.015 -7.313 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.506 -5.527 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.664 -5.621 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 561 6.937 -5.941 3.350 1.00 0.00 H new ATOM 457 N GLN A 562 7.658 -10.089 0.613 1.00 0.00 N ATOM 458 CA GLN A 562 8.097 -10.926 -0.498 1.00 0.00 C ATOM 459 C GLN A 562 7.459 -10.473 -1.807 1.00 0.00 C ATOM 460 O GLN A 562 8.134 -10.356 -2.830 1.00 0.00 O ATOM 461 CB GLN A 562 7.748 -12.391 -0.227 1.00 0.00 C ATOM 462 CG GLN A 562 7.973 -13.301 -1.424 1.00 0.00 C ATOM 463 CD GLN A 562 9.440 -13.436 -1.785 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.008 -12.575 -2.457 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.061 -14.523 -1.340 1.00 0.00 N ATOM 0 H GLN A 562 7.128 -10.584 1.331 1.00 0.00 H new ATOM 0 HA GLN A 562 9.179 -10.827 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.347 -12.750 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.704 -12.457 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.563 -14.288 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 562 7.426 -12.909 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.551 -15.211 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.048 -14.669 -1.552 1.00 0.00 H new ATOM 474 N PHE A 563 6.156 -10.218 -1.768 1.00 0.00 N ATOM 475 CA PHE A 563 5.427 -9.778 -2.952 1.00 0.00 C ATOM 476 C PHE A 563 6.070 -8.533 -3.555 1.00 0.00 C ATOM 477 O PHE A 563 6.019 -8.318 -4.766 1.00 0.00 O ATOM 478 CB PHE A 563 3.965 -9.493 -2.600 1.00 0.00 C ATOM 479 CG PHE A 563 3.237 -8.708 -3.654 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.223 -7.323 -3.620 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.568 -9.356 -4.680 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.554 -6.600 -4.588 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.898 -8.638 -5.651 1.00 0.00 C ATOM 484 CZ PHE A 563 1.891 -7.258 -5.606 1.00 0.00 C ATOM 0 H PHE A 563 5.583 -10.308 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 563 5.466 -10.579 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.447 -10.439 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.926 -8.945 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.741 -6.803 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.571 -10.435 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.549 -5.521 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.380 -9.155 -6.445 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.369 -6.694 -6.365 1.00 0.00 H new ATOM 494 N LEU A 564 6.674 -7.714 -2.701 1.00 0.00 N ATOM 495 CA LEU A 564 7.327 -6.488 -3.147 1.00 0.00 C ATOM 496 C LEU A 564 8.755 -6.768 -3.603 1.00 0.00 C ATOM 497 O LEU A 564 9.633 -5.914 -3.481 1.00 0.00 O ATOM 498 CB LEU A 564 7.332 -5.451 -2.022 1.00 0.00 C ATOM 499 CG LEU A 564 6.000 -4.754 -1.747 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.048 -4.018 -0.417 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.655 -3.795 -2.877 1.00 0.00 C ATOM 0 H LEU A 564 6.725 -7.877 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 564 6.766 -6.093 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.659 -5.941 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.075 -4.690 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 564 5.220 -5.513 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.091 -3.528 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.247 -4.729 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.840 -3.269 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.703 -3.308 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.437 -3.041 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.577 -4.348 -3.813 1.00 0.00 H new ATOM 513 N GLU A 565 8.979 -7.967 -4.130 1.00 0.00 N ATOM 514 CA GLU A 565 10.301 -8.357 -4.607 1.00 0.00 C ATOM 515 C GLU A 565 10.848 -7.331 -5.595 1.00 0.00 C ATOM 516 O GLU A 565 10.241 -7.067 -6.632 1.00 0.00 O ATOM 517 CB GLU A 565 10.244 -9.737 -5.265 1.00 0.00 C ATOM 518 CG GLU A 565 11.588 -10.445 -5.314 1.00 0.00 C ATOM 519 CD GLU A 565 12.430 -10.017 -6.499 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.848 -9.684 -7.552 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.673 -10.016 -6.374 1.00 0.00 O ATOM 0 H GLU A 565 8.263 -8.685 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 565 10.971 -8.400 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.534 -10.360 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.862 -9.630 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.135 -10.243 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 565 11.426 -11.522 -5.359 1.00 0.00 H new ATOM 528 N GLY A 566 12.000 -6.756 -5.265 1.00 0.00 N ATOM 529 CA GLY A 566 12.611 -5.766 -6.133 1.00 0.00 C ATOM 530 C GLY A 566 12.759 -4.417 -5.459 1.00 0.00 C ATOM 531 O GLY A 566 13.802 -3.771 -5.569 1.00 0.00 O ATOM 0 H GLY A 566 12.521 -6.958 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.592 -6.120 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.007 -5.655 -7.034 1.00 0.00 H new ATOM 535 N ILE A 567 11.713 -3.988 -4.760 1.00 0.00 N ATOM 536 CA ILE A 567 11.733 -2.707 -4.066 1.00 0.00 C ATOM 537 C ILE A 567 12.344 -2.843 -2.676 1.00 0.00 C ATOM 538 O ILE A 567 11.773 -3.461 -1.778 1.00 0.00 O ATOM 539 CB ILE A 567 10.316 -2.115 -3.936 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.682 -1.943 -5.317 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.362 -0.785 -3.199 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.185 -1.725 -5.273 1.00 0.00 C ATOM 0 H ILE A 567 10.842 -4.509 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 567 12.346 -2.034 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 567 9.702 -2.806 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.150 -1.096 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.895 -2.827 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.353 -0.380 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.776 -0.936 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.989 -0.085 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.804 -1.611 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.706 -2.582 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.965 -0.824 -4.700 1.00 0.00 H new ATOM 554 N PRO A 568 13.533 -2.250 -2.492 1.00 0.00 N ATOM 555 CA PRO A 568 14.247 -2.289 -1.213 1.00 0.00 C ATOM 556 C PRO A 568 13.635 -1.352 -0.178 1.00 0.00 C ATOM 557 O PRO A 568 14.079 -0.217 -0.013 1.00 0.00 O ATOM 558 CB PRO A 568 15.660 -1.828 -1.581 1.00 0.00 C ATOM 559 CG PRO A 568 15.475 -0.959 -2.777 1.00 0.00 C ATOM 560 CD PRO A 568 14.271 -1.495 -3.519 1.00 0.00 C ATOM 0 HA PRO A 568 14.211 -3.278 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.124 -1.280 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.308 -2.676 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.318 0.078 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.361 -0.979 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.666 -0.689 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.566 -2.134 -4.351 1.00 0.00 H new ATOM 568 N VAL A 569 12.610 -1.837 0.519 1.00 0.00 N ATOM 569 CA VAL A 569 11.937 -1.043 1.540 1.00 0.00 C ATOM 570 C VAL A 569 12.009 -1.725 2.902 1.00 0.00 C ATOM 571 O VAL A 569 11.975 -2.952 2.996 1.00 0.00 O ATOM 572 CB VAL A 569 10.461 -0.797 1.178 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.728 -2.119 1.002 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.787 0.059 2.239 1.00 0.00 C ATOM 0 H VAL A 569 12.229 -2.775 0.395 1.00 0.00 H new ATOM 0 HA VAL A 569 12.455 -0.085 1.589 1.00 0.00 H new ATOM 0 HB VAL A 569 10.422 -0.258 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.686 -1.926 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.198 -2.692 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.774 -2.687 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.744 0.222 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.835 -0.450 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.298 1.019 2.311 1.00 0.00 H new ATOM 584 N ASP A 570 12.107 -0.921 3.955 1.00 0.00 N ATOM 585 CA ASP A 570 12.181 -1.447 5.313 1.00 0.00 C ATOM 586 C ASP A 570 10.999 -2.365 5.606 1.00 0.00 C ATOM 587 O ASP A 570 10.103 -2.520 4.778 1.00 0.00 O ATOM 588 CB ASP A 570 12.215 -0.300 6.325 1.00 0.00 C ATOM 589 CG ASP A 570 12.825 -0.715 7.650 1.00 0.00 C ATOM 590 OD1 ASP A 570 13.629 -1.672 7.659 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.503 -0.082 8.676 1.00 0.00 O ATOM 0 H ASP A 570 12.137 0.097 3.894 1.00 0.00 H new ATOM 0 HA ASP A 570 13.099 -2.028 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.786 0.530 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.201 0.063 6.493 1.00 0.00 H new ATOM 596 N GLU A 571 11.006 -2.972 6.789 1.00 0.00 N ATOM 597 CA GLU A 571 9.936 -3.877 7.189 1.00 0.00 C ATOM 598 C GLU A 571 8.802 -3.112 7.868 1.00 0.00 C ATOM 599 O GLU A 571 7.627 -3.350 7.596 1.00 0.00 O ATOM 600 CB GLU A 571 10.473 -4.956 8.130 1.00 0.00 C ATOM 601 CG GLU A 571 9.452 -5.445 9.143 1.00 0.00 C ATOM 602 CD GLU A 571 8.322 -6.227 8.500 1.00 0.00 C ATOM 603 OE1 GLU A 571 7.761 -5.738 7.497 1.00 0.00 O ATOM 604 OE2 GLU A 571 7.999 -7.324 9.000 1.00 0.00 O ATOM 0 H GLU A 571 11.741 -2.853 7.486 1.00 0.00 H new ATOM 0 HA GLU A 571 9.544 -4.353 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.819 -5.803 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 571 11.340 -4.564 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.950 -6.074 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 571 9.039 -4.590 9.679 1.00 0.00 H new ATOM 611 N ASN A 572 9.167 -2.192 8.757 1.00 0.00 N ATOM 612 CA ASN A 572 8.182 -1.393 9.477 1.00 0.00 C ATOM 613 C ASN A 572 7.407 -0.493 8.520 1.00 0.00 C ATOM 614 O ASN A 572 6.211 -0.266 8.697 1.00 0.00 O ATOM 615 CB ASN A 572 8.870 -0.545 10.549 1.00 0.00 C ATOM 616 CG ASN A 572 8.074 0.697 10.901 1.00 0.00 C ATOM 617 OD1 ASN A 572 6.923 0.610 11.330 1.00 0.00 O ATOM 618 ND2 ASN A 572 8.685 1.862 10.720 1.00 0.00 N ATOM 0 H ASN A 572 10.136 -1.982 8.995 1.00 0.00 H new ATOM 0 HA ASN A 572 7.478 -2.073 9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.016 -1.146 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.859 -0.252 10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 572 8.199 2.732 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 572 9.640 1.887 10.362 1.00 0.00 H new ATOM 625 N ALA A 573 8.098 0.017 7.505 1.00 0.00 N ATOM 626 CA ALA A 573 7.474 0.889 6.518 1.00 0.00 C ATOM 627 C ALA A 573 6.100 0.366 6.114 1.00 0.00 C ATOM 628 O ALA A 573 5.194 1.143 5.810 1.00 0.00 O ATOM 629 CB ALA A 573 8.369 1.027 5.295 1.00 0.00 C ATOM 0 H ALA A 573 9.090 -0.159 7.345 1.00 0.00 H new ATOM 0 HA ALA A 573 7.341 1.872 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.891 1.681 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.327 1.454 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.531 0.045 4.850 1.00 0.00 H new ATOM 635 N VAL A 574 5.952 -0.955 6.110 1.00 0.00 N ATOM 636 CA VAL A 574 4.687 -1.581 5.744 1.00 0.00 C ATOM 637 C VAL A 574 3.791 -1.767 6.963 1.00 0.00 C ATOM 638 O VAL A 574 4.252 -2.181 8.027 1.00 0.00 O ATOM 639 CB VAL A 574 4.913 -2.949 5.073 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.585 -3.563 4.653 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.846 -2.810 3.880 1.00 0.00 C ATOM 0 H VAL A 574 6.692 -1.612 6.356 1.00 0.00 H new ATOM 0 HA VAL A 574 4.196 -0.913 5.036 1.00 0.00 H new ATOM 0 HB VAL A 574 5.383 -3.616 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.764 -4.529 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.954 -3.700 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.085 -2.901 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.994 -3.786 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.407 -2.127 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.806 -2.417 4.213 1.00 0.00 H new ATOM 651 N HIS A 575 2.509 -1.458 6.801 1.00 0.00 N ATOM 652 CA HIS A 575 1.546 -1.592 7.889 1.00 0.00 C ATOM 653 C HIS A 575 0.365 -2.460 7.467 1.00 0.00 C ATOM 654 O HIS A 575 -0.197 -2.278 6.388 1.00 0.00 O ATOM 655 CB HIS A 575 1.050 -0.215 8.332 1.00 0.00 C ATOM 656 CG HIS A 575 2.033 0.534 9.178 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.680 1.196 10.335 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.366 0.721 9.031 1.00 0.00 C ATOM 659 CE1 HIS A 575 2.752 1.759 10.862 1.00 0.00 C ATOM 660 NE2 HIS A 575 3.789 1.486 10.090 1.00 0.00 N ATOM 0 H HIS A 575 2.112 -1.113 5.927 1.00 0.00 H new ATOM 0 HA HIS A 575 2.048 -2.076 8.727 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.817 0.379 7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.121 -0.335 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 575 3.982 0.340 8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 575 2.777 2.343 11.770 1.00 0.00 H new ATOM 0 HE2 HIS A 575 4.748 1.793 10.254 1.00 0.00 H new ATOM 668 N VAL A 576 -0.005 -3.406 8.325 1.00 0.00 N ATOM 669 CA VAL A 576 -1.118 -4.302 8.041 1.00 0.00 C ATOM 670 C VAL A 576 -2.350 -3.924 8.856 1.00 0.00 C ATOM 671 O VAL A 576 -2.273 -3.752 10.074 1.00 0.00 O ATOM 672 CB VAL A 576 -0.750 -5.768 8.337 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.938 -6.681 8.078 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.451 -6.194 7.506 1.00 0.00 C ATOM 0 H VAL A 576 0.451 -3.571 9.223 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.343 -4.200 6.979 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.482 -5.851 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.658 -7.712 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.768 -6.389 8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.241 -6.597 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.697 -7.232 7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.214 -6.096 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.304 -5.560 7.747 1.00 0.00 H new ATOM 684 N LEU A 577 -3.485 -3.798 8.179 1.00 0.00 N ATOM 685 CA LEU A 577 -4.736 -3.440 8.840 1.00 0.00 C ATOM 686 C LEU A 577 -5.308 -4.632 9.602 1.00 0.00 C ATOM 687 O LEU A 577 -5.290 -5.761 9.113 1.00 0.00 O ATOM 688 CB LEU A 577 -5.753 -2.939 7.814 1.00 0.00 C ATOM 689 CG LEU A 577 -5.547 -1.513 7.305 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.548 -1.187 6.207 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.663 -0.516 8.448 1.00 0.00 C ATOM 0 H LEU A 577 -3.566 -3.938 7.172 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.527 -2.642 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.738 -3.614 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.747 -3.005 8.256 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.543 -1.440 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.385 -0.167 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.416 -1.881 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.561 -1.279 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.513 0.494 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.653 -0.591 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.906 -0.735 9.200 1.00 0.00 H new ATOM 809 N GLY A 586 -7.825 -7.550 4.821 1.00 0.00 N ATOM 810 CA GLY A 586 -7.236 -7.820 3.523 1.00 0.00 C ATOM 811 C GLY A 586 -6.670 -6.573 2.872 1.00 0.00 C ATOM 812 O GLY A 586 -6.734 -6.419 1.652 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.443 -8.560 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.991 -8.257 2.869 1.00 0.00 H new ATOM 816 N GLN A 587 -6.118 -5.680 3.687 1.00 0.00 N ATOM 817 CA GLN A 587 -5.541 -4.440 3.182 1.00 0.00 C ATOM 818 C GLN A 587 -4.264 -4.086 3.938 1.00 0.00 C ATOM 819 O GLN A 587 -4.167 -4.301 5.146 1.00 0.00 O ATOM 820 CB GLN A 587 -6.551 -3.298 3.301 1.00 0.00 C ATOM 821 CG GLN A 587 -7.805 -3.505 2.465 1.00 0.00 C ATOM 822 CD GLN A 587 -8.747 -2.319 2.524 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.915 -1.696 3.572 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.369 -2.001 1.395 1.00 0.00 N ATOM 0 H GLN A 587 -6.058 -5.792 4.699 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.291 -4.587 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.836 -3.184 4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.072 -2.367 2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.520 -3.687 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.327 -4.396 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.200 -2.545 0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.016 -1.213 1.374 1.00 0.00 H new ATOM 833 N ALA A 588 -3.288 -3.543 3.219 1.00 0.00 N ATOM 834 CA ALA A 588 -2.019 -3.157 3.822 1.00 0.00 C ATOM 835 C ALA A 588 -1.447 -1.912 3.152 1.00 0.00 C ATOM 836 O ALA A 588 -1.664 -1.681 1.962 1.00 0.00 O ATOM 837 CB ALA A 588 -1.025 -4.306 3.740 1.00 0.00 C ATOM 0 H ALA A 588 -3.352 -3.360 2.218 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.201 -2.921 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.081 -4.004 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.423 -5.170 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.857 -4.568 2.695 1.00 0.00 H new ATOM 843 N LEU A 589 -0.718 -1.113 3.923 1.00 0.00 N ATOM 844 CA LEU A 589 -0.116 0.111 3.404 1.00 0.00 C ATOM 845 C LEU A 589 1.399 -0.030 3.300 1.00 0.00 C ATOM 846 O LEU A 589 2.004 -0.861 3.978 1.00 0.00 O ATOM 847 CB LEU A 589 -0.469 1.297 4.302 1.00 0.00 C ATOM 848 CG LEU A 589 -1.941 1.709 4.323 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.248 2.532 5.564 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.294 2.488 3.064 1.00 0.00 C ATOM 0 H LEU A 589 -0.529 -1.290 4.910 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.516 0.288 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.165 1.058 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.123 2.156 3.985 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.551 0.806 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.300 2.816 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.034 1.941 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.630 3.430 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.346 2.773 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.676 3.384 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.113 1.865 2.188 1.00 0.00 H new ATOM 862 N VAL A 590 2.007 0.788 2.447 1.00 0.00 N ATOM 863 CA VAL A 590 3.452 0.758 2.256 1.00 0.00 C ATOM 864 C VAL A 590 4.030 2.168 2.209 1.00 0.00 C ATOM 865 O VAL A 590 3.671 2.967 1.345 1.00 0.00 O ATOM 866 CB VAL A 590 3.832 0.016 0.961 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.339 -0.169 0.873 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.116 -1.325 0.886 1.00 0.00 C ATOM 0 H VAL A 590 1.521 1.480 1.877 1.00 0.00 H new ATOM 0 HA VAL A 590 3.872 0.224 3.108 1.00 0.00 H new ATOM 0 HB VAL A 590 3.515 0.620 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.588 -0.695 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.826 0.806 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.685 -0.751 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.396 -1.836 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.400 -1.938 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.038 -1.163 0.898 1.00 0.00 H new ATOM 878 N GLN A 591 4.928 2.465 3.144 1.00 0.00 N ATOM 879 CA GLN A 591 5.556 3.779 3.208 1.00 0.00 C ATOM 880 C GLN A 591 6.979 3.730 2.663 1.00 0.00 C ATOM 881 O GLN A 591 7.783 2.892 3.073 1.00 0.00 O ATOM 882 CB GLN A 591 5.565 4.293 4.649 1.00 0.00 C ATOM 883 CG GLN A 591 5.911 5.768 4.767 1.00 0.00 C ATOM 884 CD GLN A 591 6.377 6.149 6.158 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.012 5.510 7.145 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.189 7.196 6.245 1.00 0.00 N ATOM 0 H GLN A 591 5.236 1.814 3.866 1.00 0.00 H new ATOM 0 HA GLN A 591 4.974 4.463 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.584 4.122 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.283 3.713 5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.692 6.013 4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.037 6.364 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.467 7.697 5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.535 7.499 7.155 1.00 0.00 H new ATOM 895 N PHE A 592 7.285 4.633 1.738 1.00 0.00 N ATOM 896 CA PHE A 592 8.612 4.691 1.136 1.00 0.00 C ATOM 897 C PHE A 592 9.320 5.992 1.506 1.00 0.00 C ATOM 898 O PHE A 592 8.680 7.017 1.739 1.00 0.00 O ATOM 899 CB PHE A 592 8.511 4.568 -0.386 1.00 0.00 C ATOM 900 CG PHE A 592 7.990 3.237 -0.846 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.761 2.094 -0.714 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.730 3.129 -1.412 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.285 0.866 -1.136 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.248 1.904 -1.835 1.00 0.00 C ATOM 905 CZ PHE A 592 7.027 0.773 -1.699 1.00 0.00 C ATOM 0 H PHE A 592 6.632 5.335 1.389 1.00 0.00 H new ATOM 0 HA PHE A 592 9.196 3.856 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.858 5.355 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.496 4.734 -0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.746 2.163 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.118 4.011 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.895 -0.018 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.263 1.832 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.653 -0.184 -2.032 1.00 0.00 H new ATOM 915 N LYS A 593 10.646 5.941 1.560 1.00 0.00 N ATOM 916 CA LYS A 593 11.445 7.113 1.901 1.00 0.00 C ATOM 917 C LYS A 593 11.280 8.207 0.852 1.00 0.00 C ATOM 918 O LYS A 593 11.051 9.369 1.185 1.00 0.00 O ATOM 919 CB LYS A 593 12.922 6.731 2.026 1.00 0.00 C ATOM 920 CG LYS A 593 13.299 6.209 3.402 1.00 0.00 C ATOM 921 CD LYS A 593 12.867 4.764 3.589 1.00 0.00 C ATOM 922 CE LYS A 593 11.456 4.674 4.151 1.00 0.00 C ATOM 923 NZ LYS A 593 11.452 4.672 5.640 1.00 0.00 N ATOM 0 H LYS A 593 11.191 5.100 1.372 1.00 0.00 H new ATOM 0 HA LYS A 593 11.093 7.495 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.157 5.971 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.535 7.602 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 593 14.378 6.288 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.834 6.830 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.913 4.242 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.561 4.259 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 593 10.866 5.515 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 593 10.976 3.766 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 10.473 4.610 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 11.994 3.855 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 11.887 5.550 5.990 1.00 0.00 H new ATOM 937 N ASN A 594 11.396 7.828 -0.416 1.00 0.00 N ATOM 938 CA ASN A 594 11.257 8.779 -1.514 1.00 0.00 C ATOM 939 C ASN A 594 10.354 8.217 -2.609 1.00 0.00 C ATOM 940 O ASN A 594 9.798 7.129 -2.470 1.00 0.00 O ATOM 941 CB ASN A 594 12.630 9.120 -2.096 1.00 0.00 C ATOM 942 CG ASN A 594 13.418 10.061 -1.205 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.846 10.786 -0.390 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.737 10.055 -1.357 1.00 0.00 N ATOM 0 H ASN A 594 11.586 6.870 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 594 10.800 9.687 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.198 8.201 -2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.502 9.575 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.319 10.668 -0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.168 9.438 -2.045 1.00 0.00 H new ATOM 951 N GLU A 595 10.216 8.969 -3.696 1.00 0.00 N ATOM 952 CA GLU A 595 9.381 8.546 -4.814 1.00 0.00 C ATOM 953 C GLU A 595 10.065 7.445 -5.619 1.00 0.00 C ATOM 954 O GLU A 595 9.410 6.528 -6.117 1.00 0.00 O ATOM 955 CB GLU A 595 9.066 9.737 -5.724 1.00 0.00 C ATOM 956 CG GLU A 595 8.251 10.824 -5.044 1.00 0.00 C ATOM 957 CD GLU A 595 9.108 11.765 -4.218 1.00 0.00 C ATOM 958 OE1 GLU A 595 9.615 11.333 -3.162 1.00 0.00 O ATOM 959 OE2 GLU A 595 9.270 12.932 -4.629 1.00 0.00 O ATOM 0 H GLU A 595 10.671 9.873 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 595 8.450 8.151 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 595 10.001 10.167 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.522 9.381 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.714 11.397 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 595 7.501 10.363 -4.401 1.00 0.00 H new ATOM 966 N ASP A 596 11.384 7.543 -5.742 1.00 0.00 N ATOM 967 CA ASP A 596 12.158 6.555 -6.486 1.00 0.00 C ATOM 968 C ASP A 596 11.654 5.144 -6.199 1.00 0.00 C ATOM 969 O ASP A 596 11.650 4.285 -7.081 1.00 0.00 O ATOM 970 CB ASP A 596 13.641 6.664 -6.128 1.00 0.00 C ATOM 971 CG ASP A 596 13.964 6.018 -4.795 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.353 6.415 -3.780 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.826 5.115 -4.767 1.00 0.00 O ATOM 0 H ASP A 596 11.940 8.296 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 596 12.034 6.756 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.236 6.193 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.928 7.715 -6.098 1.00 0.00 H new ATOM 978 N ASP A 597 11.232 4.911 -4.962 1.00 0.00 N ATOM 979 CA ASP A 597 10.727 3.603 -4.559 1.00 0.00 C ATOM 980 C ASP A 597 9.232 3.487 -4.843 1.00 0.00 C ATOM 981 O ASP A 597 8.769 2.480 -5.376 1.00 0.00 O ATOM 982 CB ASP A 597 10.995 3.365 -3.072 1.00 0.00 C ATOM 983 CG ASP A 597 12.475 3.249 -2.763 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.153 2.420 -3.407 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.956 3.986 -1.876 1.00 0.00 O ATOM 0 H ASP A 597 11.229 5.611 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 597 11.250 2.844 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.569 4.184 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.488 2.454 -2.755 1.00 0.00 H new ATOM 990 N ALA A 598 8.484 4.524 -4.483 1.00 0.00 N ATOM 991 CA ALA A 598 7.043 4.539 -4.699 1.00 0.00 C ATOM 992 C ALA A 598 6.706 4.297 -6.168 1.00 0.00 C ATOM 993 O ALA A 598 5.974 3.365 -6.501 1.00 0.00 O ATOM 994 CB ALA A 598 6.452 5.860 -4.231 1.00 0.00 C ATOM 0 H ALA A 598 8.853 5.366 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 598 6.604 3.731 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.375 5.856 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.653 5.992 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.904 6.679 -4.791 1.00 0.00 H new ATOM 1000 N ARG A 599 7.245 5.143 -7.039 1.00 0.00 N ATOM 1001 CA ARG A 599 7.000 5.022 -8.471 1.00 0.00 C ATOM 1002 C ARG A 599 7.120 3.570 -8.924 1.00 0.00 C ATOM 1003 O ARG A 599 6.524 3.167 -9.922 1.00 0.00 O ATOM 1004 CB ARG A 599 7.983 5.895 -9.255 1.00 0.00 C ATOM 1005 CG ARG A 599 7.694 7.382 -9.149 1.00 0.00 C ATOM 1006 CD ARG A 599 6.477 7.774 -9.973 1.00 0.00 C ATOM 1007 NE ARG A 599 6.762 7.771 -11.405 1.00 0.00 N ATOM 1008 CZ ARG A 599 7.571 8.644 -11.995 1.00 0.00 C ATOM 1009 NH1 ARG A 599 8.173 9.584 -11.279 1.00 0.00 N ATOM 1010 NH2 ARG A 599 7.781 8.577 -13.304 1.00 0.00 N ATOM 0 H ARG A 599 7.854 5.919 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 599 5.984 5.363 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.994 5.703 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.958 5.603 -10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.529 7.648 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.562 7.947 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 599 5.660 7.083 -9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 599 6.140 8.766 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 599 6.316 7.060 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.015 9.638 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 599 8.794 10.253 -11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 599 7.321 7.855 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 599 8.402 9.248 -13.756 1.00 0.00 H new ATOM 1024 N LYS A 600 7.898 2.788 -8.182 1.00 0.00 N ATOM 1025 CA LYS A 600 8.098 1.380 -8.505 1.00 0.00 C ATOM 1026 C LYS A 600 7.010 0.517 -7.873 1.00 0.00 C ATOM 1027 O LYS A 600 6.561 -0.464 -8.465 1.00 0.00 O ATOM 1028 CB LYS A 600 9.475 0.916 -8.023 1.00 0.00 C ATOM 1029 CG LYS A 600 10.622 1.431 -8.876 1.00 0.00 C ATOM 1030 CD LYS A 600 11.940 1.385 -8.122 1.00 0.00 C ATOM 1031 CE LYS A 600 12.657 0.061 -8.335 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.573 0.108 -9.509 1.00 0.00 N ATOM 0 H LYS A 600 8.400 3.106 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 600 8.042 1.270 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.621 1.246 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.500 -0.174 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.700 0.832 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.415 2.455 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.579 2.204 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.757 1.534 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.226 -0.192 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.922 -0.731 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.042 -0.813 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 13.027 0.324 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.290 0.846 -9.360 1.00 0.00 H new ATOM 1046 N SER A 601 6.590 0.890 -6.668 1.00 0.00 N ATOM 1047 CA SER A 601 5.555 0.149 -5.956 1.00 0.00 C ATOM 1048 C SER A 601 4.280 0.059 -6.787 1.00 0.00 C ATOM 1049 O SER A 601 3.555 -0.934 -6.727 1.00 0.00 O ATOM 1050 CB SER A 601 5.255 0.817 -4.611 1.00 0.00 C ATOM 1051 OG SER A 601 4.457 1.975 -4.784 1.00 0.00 O ATOM 0 H SER A 601 6.950 1.701 -6.165 1.00 0.00 H new ATOM 0 HA SER A 601 5.923 -0.862 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.741 0.112 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.189 1.086 -4.118 1.00 0.00 H new ATOM 0 HG SER A 601 4.789 2.490 -5.549 1.00 0.00 H new ATOM 1057 N GLU A 602 4.013 1.105 -7.565 1.00 0.00 N ATOM 1058 CA GLU A 602 2.825 1.144 -8.409 1.00 0.00 C ATOM 1059 C GLU A 602 2.967 0.193 -9.593 1.00 0.00 C ATOM 1060 O GLU A 602 1.975 -0.313 -10.118 1.00 0.00 O ATOM 1061 CB GLU A 602 2.577 2.568 -8.912 1.00 0.00 C ATOM 1062 CG GLU A 602 3.713 3.122 -9.755 1.00 0.00 C ATOM 1063 CD GLU A 602 3.237 4.127 -10.785 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.214 3.857 -11.450 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.886 5.184 -10.929 1.00 0.00 O ATOM 0 H GLU A 602 4.603 1.935 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 602 1.973 0.824 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.659 2.582 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.417 3.224 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.447 3.595 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.219 2.300 -10.261 1.00 0.00 H new ATOM 1072 N ARG A 603 4.206 -0.046 -10.008 1.00 0.00 N ATOM 1073 CA ARG A 603 4.479 -0.935 -11.131 1.00 0.00 C ATOM 1074 C ARG A 603 3.855 -2.308 -10.900 1.00 0.00 C ATOM 1075 O ARG A 603 3.472 -2.994 -11.849 1.00 0.00 O ATOM 1076 CB ARG A 603 5.988 -1.078 -11.342 1.00 0.00 C ATOM 1077 CG ARG A 603 6.358 -1.972 -12.513 1.00 0.00 C ATOM 1078 CD ARG A 603 6.270 -1.224 -13.834 1.00 0.00 C ATOM 1079 NE ARG A 603 7.483 -0.458 -14.110 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.816 -0.019 -15.319 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.031 -0.269 -16.358 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.936 0.672 -15.490 1.00 0.00 N ATOM 0 H ARG A 603 5.038 0.364 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 603 4.034 -0.497 -12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.419 -0.090 -11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.437 -1.480 -10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.370 -2.353 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.693 -2.835 -12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 603 6.098 -1.935 -14.642 1.00 0.00 H new ATOM 0 HD3 ARG A 603 5.413 -0.551 -13.813 1.00 0.00 H new ATOM 0 HE ARG A 603 8.109 -0.249 -13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 603 6.169 -0.799 -16.230 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.289 0.069 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 603 9.542 0.866 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 603 9.191 1.009 -16.419 1.00 0.00 H new ATOM 1096 N LEU A 604 3.758 -2.703 -9.636 1.00 0.00 N ATOM 1097 CA LEU A 604 3.181 -3.995 -9.281 1.00 0.00 C ATOM 1098 C LEU A 604 1.657 -3.922 -9.253 1.00 0.00 C ATOM 1099 O LEU A 604 0.991 -4.818 -8.733 1.00 0.00 O ATOM 1100 CB LEU A 604 3.706 -4.453 -7.919 1.00 0.00 C ATOM 1101 CG LEU A 604 5.222 -4.605 -7.801 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.626 -4.818 -6.350 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.711 -5.758 -8.666 1.00 0.00 C ATOM 0 H LEU A 604 4.071 -2.148 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 604 3.478 -4.719 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.373 -3.740 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.245 -5.411 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 604 5.689 -3.686 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.709 -4.924 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.309 -3.962 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.150 -5.721 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.793 -5.852 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.236 -6.684 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.455 -5.565 -9.708 1.00 0.00 H new ATOM 1115 N HIS A 605 1.111 -2.850 -9.818 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.335 -2.661 -9.861 1.00 0.00 C ATOM 1117 C HIS A 605 -1.012 -3.815 -10.594 1.00 0.00 C ATOM 1118 O HIS A 605 -0.455 -4.375 -11.539 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.677 -1.337 -10.542 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.149 -1.072 -10.632 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.020 -1.298 -9.587 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.902 -0.597 -11.652 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.245 -0.975 -9.959 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.201 -0.545 -11.208 1.00 0.00 N ATOM 0 H HIS A 605 1.648 -2.099 -10.252 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.705 -2.639 -8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.202 -0.523 -9.994 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.254 -1.335 -11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.548 -0.312 -12.632 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.132 -1.049 -9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.002 -0.226 -11.754 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.215 -4.166 -10.153 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.967 -5.254 -10.767 1.00 0.00 C ATOM 1134 C ARG A 606 -2.122 -6.522 -10.845 1.00 0.00 C ATOM 1135 O ARG A 606 -2.069 -7.182 -11.883 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.435 -4.852 -12.166 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.663 -3.957 -12.165 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.442 -4.076 -13.466 1.00 0.00 C ATOM 1139 NE ARG A 606 -6.142 -5.354 -13.569 1.00 0.00 N ATOM 1140 CZ ARG A 606 -7.213 -5.545 -14.331 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -7.705 -4.546 -15.051 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -7.795 -6.737 -14.373 1.00 0.00 N ATOM 0 H ARG A 606 -2.690 -3.713 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.839 -5.457 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.622 -4.338 -12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.653 -5.753 -12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.308 -4.224 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.359 -2.921 -12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -6.163 -3.261 -13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.759 -3.967 -14.309 1.00 0.00 H new ATOM 0 HE ARG A 606 -5.789 -6.142 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -7.261 -3.628 -15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -8.528 -4.695 -15.635 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -7.420 -7.507 -13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -8.617 -6.883 -14.958 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.460 -6.856 -9.742 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.619 -8.044 -9.684 1.00 0.00 C ATOM 1158 C LYS A 607 -1.386 -9.228 -9.105 1.00 0.00 C ATOM 1159 O LYS A 607 -2.364 -9.051 -8.378 1.00 0.00 O ATOM 1160 CB LYS A 607 0.629 -7.770 -8.841 1.00 0.00 C ATOM 1161 CG LYS A 607 1.802 -7.236 -9.644 1.00 0.00 C ATOM 1162 CD LYS A 607 2.385 -8.303 -10.556 1.00 0.00 C ATOM 1163 CE LYS A 607 3.004 -7.693 -11.803 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.431 -7.323 -11.591 1.00 0.00 N ATOM 0 H LYS A 607 -1.490 -6.319 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.316 -8.293 -10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.379 -7.053 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.930 -8.692 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.478 -6.384 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.574 -6.874 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.141 -8.872 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.602 -9.005 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 607 2.931 -8.402 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.439 -6.807 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.594 -6.356 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.655 -7.370 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 5.042 -7.984 -12.112 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.937 -10.435 -9.431 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.580 -11.649 -8.943 1.00 0.00 C ATOM 1180 C LYS A 608 -0.863 -12.184 -7.706 1.00 0.00 C ATOM 1181 O LYS A 608 0.169 -12.848 -7.813 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.599 -12.718 -10.037 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.248 -12.254 -11.329 1.00 0.00 C ATOM 1184 CD LYS A 608 -1.765 -13.067 -12.519 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.424 -14.437 -12.561 1.00 0.00 C ATOM 1186 NZ LYS A 608 -1.661 -15.444 -11.773 1.00 0.00 N ATOM 0 H LYS A 608 -0.129 -10.599 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.606 -11.402 -8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.576 -13.030 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.131 -13.595 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.331 -12.340 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.023 -11.200 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.983 -12.529 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -0.683 -13.184 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.439 -14.364 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -2.504 -14.770 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -1.709 -16.367 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -0.668 -15.145 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -2.073 -15.524 -10.821 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.417 -11.893 -6.535 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.831 -12.346 -5.278 1.00 0.00 C ATOM 1202 C LEU A 609 -1.511 -13.621 -4.788 1.00 0.00 C ATOM 1203 O LEU A 609 -2.634 -13.582 -4.286 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.945 -11.252 -4.215 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.076 -11.432 -2.971 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.205 -10.228 -2.050 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.454 -12.710 -2.236 1.00 0.00 C ATOM 0 H LEU A 609 -2.271 -11.346 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 609 0.222 -12.563 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.691 -10.298 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.986 -11.187 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 609 0.964 -11.512 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.421 -10.375 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.116 -9.330 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.244 -10.116 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.175 -12.822 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.500 -12.659 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.309 -13.566 -2.896 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.823 -14.748 -4.936 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.361 -16.034 -4.507 1.00 0.00 C ATOM 1221 C ASN A 610 -2.614 -16.392 -5.301 1.00 0.00 C ATOM 1222 O ASN A 610 -3.490 -17.102 -4.811 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.683 -16.002 -3.011 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.494 -16.393 -2.155 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.573 -16.726 -2.670 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.674 -16.354 -0.840 1.00 0.00 N ATOM 0 H ASN A 610 0.108 -14.797 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.605 -16.797 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.013 -15.000 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.513 -16.679 -2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.090 -16.606 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.576 -16.072 -0.457 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.690 -15.895 -6.532 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.838 -16.173 -7.374 1.00 0.00 C ATOM 1235 C GLY A 611 -4.953 -15.165 -7.187 1.00 0.00 C ATOM 1236 O GLY A 611 -6.056 -15.346 -7.702 1.00 0.00 O ATOM 0 H GLY A 611 -1.977 -15.305 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.526 -16.175 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.214 -17.171 -7.151 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.668 -14.100 -6.445 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.657 -13.060 -6.186 1.00 0.00 C ATOM 1242 C ARG A 612 -5.206 -11.724 -6.771 1.00 0.00 C ATOM 1243 O ARG A 612 -4.127 -11.228 -6.449 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.896 -12.916 -4.683 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.975 -13.842 -4.147 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.364 -13.259 -4.356 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.919 -13.620 -5.657 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.010 -13.064 -6.172 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.660 -12.124 -5.498 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.453 -13.445 -7.363 1.00 0.00 N ATOM 0 H ARG A 612 -3.759 -13.934 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.590 -13.352 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.963 -13.114 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.173 -11.885 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -6.906 -14.809 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.809 -14.019 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -9.028 -13.613 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.318 -12.173 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.442 -14.339 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -10.322 -11.827 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.497 -11.698 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -9.956 -14.166 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.291 -13.017 -7.756 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.040 -11.149 -7.632 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.726 -9.872 -8.262 1.00 0.00 C ATOM 1266 C GLU A 613 -5.777 -8.737 -7.244 1.00 0.00 C ATOM 1267 O GLU A 613 -6.843 -8.394 -6.734 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.700 -9.590 -9.407 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.543 -10.534 -10.588 1.00 0.00 C ATOM 1270 CD GLU A 613 -5.538 -10.032 -11.607 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -4.340 -9.942 -11.265 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -5.950 -9.727 -12.745 1.00 0.00 O ATOM 0 H GLU A 613 -6.937 -11.547 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.714 -9.932 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.720 -9.660 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.557 -8.565 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.230 -11.513 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.510 -10.668 -11.073 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.617 -8.157 -6.953 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.529 -7.060 -5.998 1.00 0.00 C ATOM 1281 C ALA A 614 -4.406 -5.718 -6.713 1.00 0.00 C ATOM 1282 O ALA A 614 -3.974 -5.654 -7.864 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.349 -7.270 -5.060 1.00 0.00 C ATOM 0 H ALA A 614 -3.725 -8.429 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.448 -7.047 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.295 -6.443 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.479 -8.206 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.427 -7.312 -5.639 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.791 -4.649 -6.024 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.725 -3.308 -6.594 1.00 0.00 C ATOM 1291 C PHE A 615 -3.888 -2.384 -5.716 1.00 0.00 C ATOM 1292 O PHE A 615 -3.970 -2.432 -4.488 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.134 -2.734 -6.762 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.003 -3.537 -7.687 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.297 -4.861 -7.407 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.525 -2.967 -8.836 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.097 -5.603 -8.256 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.325 -3.703 -9.689 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.610 -5.024 -9.399 1.00 0.00 C ATOM 0 H PHE A 615 -5.152 -4.685 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.249 -3.378 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.613 -2.677 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.059 -1.715 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -6.897 -5.319 -6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -7.304 -1.936 -9.068 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -8.320 -6.634 -8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -8.727 -3.247 -10.581 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.233 -5.602 -10.066 1.00 0.00 H new ATOM 1309 N VAL A 616 -3.081 -1.542 -6.354 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.227 -0.605 -5.631 1.00 0.00 C ATOM 1311 C VAL A 616 -2.623 0.838 -5.927 1.00 0.00 C ATOM 1312 O VAL A 616 -2.924 1.189 -7.069 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.744 -0.804 -5.993 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.128 0.185 -5.235 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.313 -2.235 -5.707 1.00 0.00 C ATOM 0 H VAL A 616 -3.000 -1.489 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.363 -0.806 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.620 -0.618 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.173 0.029 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.166 1.202 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.003 0.033 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.738 -2.358 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.451 -2.452 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.917 -2.922 -6.299 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.618 1.671 -4.891 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.974 3.077 -5.040 1.00 0.00 C ATOM 1327 C HIS A 617 -1.888 3.978 -4.458 1.00 0.00 C ATOM 1328 O HIS A 617 -1.619 3.947 -3.258 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.310 3.362 -4.353 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.495 2.848 -5.112 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.044 1.602 -4.897 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.238 3.421 -6.088 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.071 1.429 -5.709 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.211 2.519 -6.442 1.00 0.00 N ATOM 0 H HIS A 617 -2.371 1.397 -3.940 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.067 3.291 -6.105 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.302 2.912 -3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.416 4.438 -4.215 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.093 4.405 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.691 0.546 -5.764 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.925 2.667 -7.155 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.266 4.777 -5.319 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.209 5.686 -4.890 1.00 0.00 C ATOM 1344 C VAL A 618 -0.789 6.921 -4.210 1.00 0.00 C ATOM 1345 O VAL A 618 -1.483 7.721 -4.839 1.00 0.00 O ATOM 1346 CB VAL A 618 0.665 6.130 -6.078 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.742 7.100 -5.616 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.284 4.921 -6.765 1.00 0.00 C ATOM 0 H VAL A 618 -1.475 4.814 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 618 0.409 5.140 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 618 0.031 6.645 -6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.349 7.403 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.274 7.979 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.375 6.614 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.898 5.253 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.904 4.376 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.493 4.267 -7.132 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.499 7.073 -2.922 1.00 0.00 N ATOM 1359 CA VAL A 619 -0.989 8.212 -2.156 1.00 0.00 C ATOM 1360 C VAL A 619 0.144 8.893 -1.398 1.00 0.00 C ATOM 1361 O VAL A 619 1.235 8.339 -1.259 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.080 7.786 -1.155 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.216 7.074 -1.873 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.489 6.904 -0.067 1.00 0.00 C ATOM 0 H VAL A 619 0.074 6.420 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.416 8.915 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.486 8.681 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -3.977 6.781 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.656 7.744 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.830 6.186 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.274 6.612 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.055 6.012 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.714 7.455 0.467 1.00 0.00 H new ATOM 1374 N THR A 620 -0.121 10.100 -0.908 1.00 0.00 N ATOM 1375 CA THR A 620 0.876 10.858 -0.163 1.00 0.00 C ATOM 1376 C THR A 620 1.051 10.303 1.245 1.00 0.00 C ATOM 1377 O THR A 620 0.217 9.536 1.730 1.00 0.00 O ATOM 1378 CB THR A 620 0.495 12.348 -0.070 1.00 0.00 C ATOM 1379 OG1 THR A 620 -0.801 12.486 0.523 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.500 12.995 -1.448 1.00 0.00 C ATOM 0 H THR A 620 -1.018 10.574 -1.014 1.00 0.00 H new ATOM 0 HA THR A 620 1.815 10.763 -0.708 1.00 0.00 H new ATOM 0 HB THR A 620 1.234 12.851 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.490 12.351 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.228 14.047 -1.357 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.496 12.914 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.220 12.488 -2.091 1.00 0.00 H new ATOM 1388 N LEU A 621 2.139 10.693 1.899 1.00 0.00 N ATOM 1389 CA LEU A 621 2.424 10.233 3.254 1.00 0.00 C ATOM 1390 C LEU A 621 1.199 10.388 4.150 1.00 0.00 C ATOM 1391 O LEU A 621 0.675 9.405 4.675 1.00 0.00 O ATOM 1392 CB LEU A 621 3.602 11.014 3.842 1.00 0.00 C ATOM 1393 CG LEU A 621 4.260 10.405 5.080 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.346 10.532 6.289 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.617 8.946 4.830 1.00 0.00 C ATOM 0 H LEU A 621 2.839 11.327 1.513 1.00 0.00 H new ATOM 0 HA LEU A 621 2.685 9.176 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.362 11.124 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.257 12.017 4.095 1.00 0.00 H new ATOM 0 HG LEU A 621 5.179 10.954 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.832 10.093 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 621 3.140 11.585 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 621 2.410 10.009 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.085 8.528 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.712 8.385 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.310 8.880 3.992 1.00 0.00 H new ATOM 1407 N GLU A 622 0.748 11.627 4.318 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.417 11.908 5.149 1.00 0.00 C ATOM 1409 C GLU A 622 -1.589 11.010 4.765 1.00 0.00 C ATOM 1410 O GLU A 622 -2.244 10.423 5.627 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.821 13.378 5.019 1.00 0.00 C ATOM 1412 CG GLU A 622 0.305 14.349 5.327 1.00 0.00 C ATOM 1413 CD GLU A 622 1.125 14.699 4.101 1.00 0.00 C ATOM 1414 OE1 GLU A 622 0.585 15.375 3.200 1.00 0.00 O ATOM 1415 OE2 GLU A 622 2.306 14.298 4.041 1.00 0.00 O ATOM 0 H GLU A 622 1.171 12.451 3.891 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.150 11.703 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -1.178 13.559 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.655 13.577 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -0.113 15.261 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 622 0.958 13.914 6.084 1.00 0.00 H new ATOM 1422 N ASP A 623 -1.849 10.910 3.466 1.00 0.00 N ATOM 1423 CA ASP A 623 -2.942 10.083 2.966 1.00 0.00 C ATOM 1424 C ASP A 623 -2.874 8.677 3.554 1.00 0.00 C ATOM 1425 O ASP A 623 -3.873 7.959 3.589 1.00 0.00 O ATOM 1426 CB ASP A 623 -2.898 10.013 1.439 1.00 0.00 C ATOM 1427 CG ASP A 623 -3.366 11.299 0.787 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.031 12.106 1.472 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.067 11.501 -0.409 1.00 0.00 O ATOM 0 H ASP A 623 -1.318 11.391 2.740 1.00 0.00 H new ATOM 0 HA ASP A 623 -3.882 10.541 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -1.879 9.796 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.523 9.188 1.098 1.00 0.00 H new ATOM 1434 N MET A 624 -1.688 8.292 4.016 1.00 0.00 N ATOM 1435 CA MET A 624 -1.491 6.972 4.603 1.00 0.00 C ATOM 1436 C MET A 624 -1.789 6.992 6.099 1.00 0.00 C ATOM 1437 O MET A 624 -2.295 6.016 6.654 1.00 0.00 O ATOM 1438 CB MET A 624 -0.058 6.493 4.363 1.00 0.00 C ATOM 1439 CG MET A 624 0.221 5.107 4.921 1.00 0.00 C ATOM 1440 SD MET A 624 1.984 4.763 5.080 1.00 0.00 S ATOM 1441 CE MET A 624 2.232 5.067 6.828 1.00 0.00 C ATOM 0 H MET A 624 -0.851 8.874 3.995 1.00 0.00 H new ATOM 0 HA MET A 624 -2.183 6.281 4.122 1.00 0.00 H new ATOM 0 HB2 MET A 624 0.141 6.491 3.291 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.634 7.204 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.253 5.011 5.898 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.234 4.360 4.271 1.00 0.00 H new ATOM 0 HE1 MET A 624 3.278 4.896 7.082 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.967 6.099 7.059 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.602 4.392 7.408 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.472 8.109 6.746 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.705 8.254 8.178 1.00 0.00 C ATOM 1453 C ARG A 625 -3.193 8.413 8.473 1.00 0.00 C ATOM 1454 O ARG A 625 -3.729 7.767 9.374 1.00 0.00 O ATOM 1455 CB ARG A 625 -0.935 9.459 8.722 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.825 9.479 10.237 1.00 0.00 C ATOM 1457 CD ARG A 625 0.267 10.428 10.705 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.215 11.803 10.820 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.282 12.646 9.797 1.00 0.00 C ATOM 1460 NH1 ARG A 625 0.099 12.259 8.587 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.732 13.881 9.982 1.00 0.00 N ATOM 0 H ARG A 625 -1.053 8.926 6.302 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.349 7.350 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 625 0.067 9.462 8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.427 10.373 8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.780 9.781 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.615 8.473 10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.647 10.095 11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 625 1.102 10.394 10.005 1.00 0.00 H new ATOM 0 HE ARG A 625 -0.516 12.133 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 625 0.445 11.311 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 625 0.046 12.910 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.027 14.183 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.783 14.528 9.195 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.855 9.276 7.709 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.281 9.519 7.891 1.00 0.00 C ATOM 1477 C GLU A 626 -6.066 8.211 7.852 1.00 0.00 C ATOM 1478 O GLU A 626 -7.033 8.033 8.591 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.800 10.470 6.810 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.109 9.783 5.491 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.768 10.712 4.489 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -7.857 11.240 4.798 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.195 10.910 3.398 1.00 0.00 O ATOM 0 H GLU A 626 -3.427 9.818 6.959 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.423 9.978 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -6.702 10.962 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.059 11.250 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.185 9.391 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.762 8.930 5.674 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.641 7.299 6.983 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.303 6.008 6.847 1.00 0.00 C ATOM 1492 C ILE A 627 -6.023 5.117 8.053 1.00 0.00 C ATOM 1493 O ILE A 627 -6.945 4.674 8.736 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.855 5.277 5.568 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.056 6.174 4.345 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.621 3.972 5.407 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.294 5.710 3.123 1.00 0.00 C ATOM 0 H ILE A 627 -4.842 7.431 6.363 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.373 6.207 6.786 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.794 5.044 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.119 6.216 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.745 7.189 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.293 3.467 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.431 3.330 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.688 4.183 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.484 6.393 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.227 5.695 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.622 4.707 2.849 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.744 4.862 8.308 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.342 4.025 9.433 1.00 0.00 C ATOM 1511 C GLU A 628 -5.265 4.242 10.629 1.00 0.00 C ATOM 1512 O GLU A 628 -5.701 3.286 11.273 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.896 4.326 9.830 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.294 3.289 10.764 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.545 3.605 12.226 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -3.718 3.552 12.652 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -1.568 3.906 12.945 1.00 0.00 O ATOM 0 H GLU A 628 -3.969 5.222 7.752 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.416 2.983 9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.286 4.389 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.856 5.303 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.712 2.310 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.220 3.227 10.589 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.560 5.503 10.920 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.432 5.847 12.037 1.00 0.00 C ATOM 1526 C LYS A 629 -7.885 5.511 11.718 1.00 0.00 C ATOM 1527 O LYS A 629 -8.585 4.904 12.527 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.303 7.335 12.372 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.893 7.755 12.746 1.00 0.00 C ATOM 1530 CD LYS A 629 -4.835 9.218 13.153 1.00 0.00 C ATOM 1531 CE LYS A 629 -3.433 9.785 12.996 1.00 0.00 C ATOM 1532 NZ LYS A 629 -3.168 10.886 13.964 1.00 0.00 N ATOM 0 H LYS A 629 -5.208 6.305 10.398 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.123 5.258 12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.632 7.922 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.975 7.572 13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.533 7.134 13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.226 7.585 11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -5.532 9.794 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -5.156 9.321 14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -2.701 8.990 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -3.303 10.156 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -2.202 11.246 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -3.850 11.656 13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -3.267 10.526 14.935 1.00 0.00 H new