USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=11 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 547 HIS : no HE2:sc= -1.03 X(o=-1.2,f=-0.74) USER MOD Set 1.2: A 587 GLN : amide:sc= -0.214 X(o=-1.2,f=-1.1) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -4:sc= -1.88 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN :FLIP amide:sc= -1.42 F(o=-2.9,f=-1.4) 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 -124:sc= -1.28 (180deg=-5.53!) USER MOD Single : A 562 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Single : A 575 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 591 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.51) USER MOD Single : A 593 LYS NZ :NH3+ -153:sc= -0.265 (180deg=-0.914) USER MOD Single : A 594 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -58:sc= 1.24 USER MOD Single : A 605 HIS : no HD1:sc= -1.21! C(o=-1.2!,f=-4.7!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.636 K(o=-0.64,f=-1.4) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00258) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.551 15.044 -1.302 1.00 0.00 N ATOM 142 CA ALA A 542 4.992 14.072 -2.295 1.00 0.00 C ATOM 143 C ALA A 542 4.345 12.712 -2.057 1.00 0.00 C ATOM 144 O ALA A 542 4.104 12.319 -0.915 1.00 0.00 O ATOM 145 CB ALA A 542 6.508 13.948 -2.275 1.00 0.00 C ATOM 0 HA ALA A 542 4.680 14.426 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.823 13.219 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.955 14.916 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.833 13.620 -1.288 1.00 0.00 H new ATOM 151 N LYS A 543 4.066 11.997 -3.141 1.00 0.00 N ATOM 152 CA LYS A 543 3.446 10.680 -3.051 1.00 0.00 C ATOM 153 C LYS A 543 4.491 9.606 -2.768 1.00 0.00 C ATOM 154 O LYS A 543 5.130 9.089 -3.685 1.00 0.00 O ATOM 155 CB LYS A 543 2.703 10.354 -4.349 1.00 0.00 C ATOM 156 CG LYS A 543 1.373 11.073 -4.486 1.00 0.00 C ATOM 157 CD LYS A 543 0.989 11.265 -5.944 1.00 0.00 C ATOM 158 CE LYS A 543 -0.374 11.925 -6.079 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.627 12.397 -7.469 1.00 0.00 N ATOM 0 H LYS A 543 4.259 12.307 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 543 2.734 10.696 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.337 10.616 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.532 9.279 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.596 10.503 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.431 12.044 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.741 11.877 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.978 10.299 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -1.150 11.217 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.439 12.769 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.566 12.841 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.099 13.092 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.591 11.589 -8.122 1.00 0.00 H new ATOM 173 N VAL A 544 4.660 9.273 -1.492 1.00 0.00 N ATOM 174 CA VAL A 544 5.626 8.258 -1.088 1.00 0.00 C ATOM 175 C VAL A 544 4.952 7.143 -0.296 1.00 0.00 C ATOM 176 O VAL A 544 5.504 6.645 0.686 1.00 0.00 O ATOM 177 CB VAL A 544 6.757 8.866 -0.238 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.466 9.972 -1.004 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.209 9.388 1.082 1.00 0.00 C ATOM 0 H VAL A 544 4.140 9.691 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 544 6.052 7.844 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 544 7.484 8.084 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.262 10.389 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 544 7.893 9.564 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.752 10.756 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.022 9.814 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.461 10.156 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.752 8.568 1.636 1.00 0.00 H new ATOM 189 N CYS A 545 3.758 6.754 -0.730 1.00 0.00 N ATOM 190 CA CYS A 545 3.009 5.698 -0.061 1.00 0.00 C ATOM 191 C CYS A 545 2.179 4.902 -1.063 1.00 0.00 C ATOM 192 O CYS A 545 1.799 5.415 -2.116 1.00 0.00 O ATOM 193 CB CYS A 545 2.099 6.292 1.015 1.00 0.00 C ATOM 194 SG CYS A 545 2.979 7.206 2.303 1.00 0.00 S ATOM 0 H CYS A 545 3.289 7.155 -1.542 1.00 0.00 H new ATOM 0 HA CYS A 545 3.723 5.023 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.379 6.958 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.530 5.487 1.480 1.00 0.00 H new ATOM 0 HG CYS A 545 4.260 7.114 2.102 1.00 0.00 H new ATOM 200 N ALA A 546 1.902 3.646 -0.730 1.00 0.00 N ATOM 201 CA ALA A 546 1.118 2.779 -1.601 1.00 0.00 C ATOM 202 C ALA A 546 0.222 1.850 -0.788 1.00 0.00 C ATOM 203 O ALA A 546 0.685 1.176 0.133 1.00 0.00 O ATOM 204 CB ALA A 546 2.034 1.972 -2.507 1.00 0.00 C ATOM 0 H ALA A 546 2.209 3.206 0.137 1.00 0.00 H new ATOM 0 HA ALA A 546 0.479 3.409 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.434 1.329 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.627 2.649 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.698 1.358 -1.899 1.00 0.00 H new ATOM 210 N HIS A 547 -1.060 1.819 -1.133 1.00 0.00 N ATOM 211 CA HIS A 547 -2.021 0.972 -0.435 1.00 0.00 C ATOM 212 C HIS A 547 -2.365 -0.260 -1.268 1.00 0.00 C ATOM 213 O HIS A 547 -2.744 -0.146 -2.433 1.00 0.00 O ATOM 214 CB HIS A 547 -3.292 1.759 -0.120 1.00 0.00 C ATOM 215 CG HIS A 547 -4.221 1.048 0.816 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.593 1.165 0.748 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.966 0.205 1.844 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.143 0.427 1.696 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.178 -0.167 2.374 1.00 0.00 N ATOM 0 H HIS A 547 -1.459 2.371 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.566 0.642 0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -3.016 2.720 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.819 1.970 -1.051 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -6.104 1.733 0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.992 -0.115 2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.202 0.327 1.884 1.00 0.00 H new ATOM 227 N ILE A 548 -2.227 -1.435 -0.662 1.00 0.00 N ATOM 228 CA ILE A 548 -2.523 -2.686 -1.347 1.00 0.00 C ATOM 229 C ILE A 548 -3.847 -3.274 -0.869 1.00 0.00 C ATOM 230 O ILE A 548 -4.022 -3.561 0.316 1.00 0.00 O ATOM 231 CB ILE A 548 -1.406 -3.724 -1.132 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.036 -3.094 -1.396 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.622 -4.930 -2.033 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.115 -3.887 -0.819 1.00 0.00 C ATOM 0 H ILE A 548 -1.912 -1.546 0.302 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.593 -2.455 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.438 -4.059 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.107 -2.992 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 548 -0.021 -2.088 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.824 -5.654 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.583 -5.390 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.614 -4.611 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.054 -3.382 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 548 0.996 -3.967 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.126 -4.885 -1.258 1.00 0.00 H new ATOM 246 N THR A 549 -4.778 -3.455 -1.801 1.00 0.00 N ATOM 247 CA THR A 549 -6.086 -4.011 -1.476 1.00 0.00 C ATOM 248 C THR A 549 -6.375 -5.259 -2.303 1.00 0.00 C ATOM 249 O THR A 549 -5.611 -5.608 -3.203 1.00 0.00 O ATOM 250 CB THR A 549 -7.208 -2.981 -1.713 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.286 -2.653 -3.105 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.962 -1.717 -0.902 1.00 0.00 C ATOM 0 H THR A 549 -4.650 -3.225 -2.786 1.00 0.00 H new ATOM 0 HA THR A 549 -6.063 -4.277 -0.419 1.00 0.00 H new ATOM 0 HB THR A 549 -8.151 -3.423 -1.391 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.002 -1.999 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.766 -1.005 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.932 -1.965 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.011 -1.274 -1.198 1.00 0.00 H new ATOM 260 N ASN A 550 -7.481 -5.926 -1.992 1.00 0.00 N ATOM 261 CA ASN A 550 -7.870 -7.136 -2.708 1.00 0.00 C ATOM 262 C ASN A 550 -6.907 -8.279 -2.406 1.00 0.00 C ATOM 263 O ASN A 550 -6.590 -9.086 -3.281 1.00 0.00 O ATOM 264 CB ASN A 550 -7.910 -6.872 -4.214 1.00 0.00 C ATOM 265 CG ASN A 550 -8.694 -7.930 -4.966 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.723 -7.502 -5.688 1.00 0.00 O flip ATOM 267 ND2 ASN A 550 -8.378 -9.118 -4.898 1.00 0.00 N flip ATOM 0 H ASN A 550 -8.124 -5.650 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.866 -7.424 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.356 -5.895 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.892 -6.835 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -7.579 -9.402 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.915 -9.819 -5.409 1.00 0.00 H new ATOM 274 N ILE A 551 -6.444 -8.344 -1.162 1.00 0.00 N ATOM 275 CA ILE A 551 -5.518 -9.390 -0.745 1.00 0.00 C ATOM 276 C ILE A 551 -6.146 -10.288 0.316 1.00 0.00 C ATOM 277 O ILE A 551 -7.018 -9.873 1.079 1.00 0.00 O ATOM 278 CB ILE A 551 -4.210 -8.795 -0.189 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.480 -8.049 1.119 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.574 -7.868 -1.213 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.225 -7.538 1.793 1.00 0.00 C ATOM 0 H ILE A 551 -6.695 -7.685 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.290 -9.982 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.515 -9.609 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -5.143 -7.208 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.006 -8.713 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.651 -7.455 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.352 -8.427 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.263 -7.056 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.492 -7.020 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.570 -8.377 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.708 -6.849 1.125 1.00 0.00 H new ATOM 293 N PRO A 552 -5.693 -11.549 0.367 1.00 0.00 N ATOM 294 CA PRO A 552 -6.195 -12.533 1.330 1.00 0.00 C ATOM 295 C PRO A 552 -5.641 -12.303 2.733 1.00 0.00 C ATOM 296 O PRO A 552 -4.433 -12.151 2.918 1.00 0.00 O ATOM 297 CB PRO A 552 -5.694 -13.866 0.770 1.00 0.00 C ATOM 298 CG PRO A 552 -4.461 -13.519 0.009 1.00 0.00 C ATOM 299 CD PRO A 552 -4.654 -12.112 -0.513 1.00 0.00 C ATOM 0 HA PRO A 552 -7.278 -12.482 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.479 -14.575 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.440 -14.329 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.581 -13.577 0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.303 -14.218 -0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.730 -11.536 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.971 -12.112 -1.556 1.00 0.00 H new ATOM 307 N PHE A 553 -6.533 -12.280 3.719 1.00 0.00 N ATOM 308 CA PHE A 553 -6.133 -12.068 5.105 1.00 0.00 C ATOM 309 C PHE A 553 -5.384 -13.282 5.646 1.00 0.00 C ATOM 310 O PHE A 553 -4.939 -13.290 6.794 1.00 0.00 O ATOM 311 CB PHE A 553 -7.360 -11.784 5.974 1.00 0.00 C ATOM 312 CG PHE A 553 -8.527 -12.681 5.675 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.562 -13.979 6.159 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.589 -12.228 4.910 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.635 -14.808 5.887 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.664 -13.051 4.633 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.686 -14.343 5.121 1.00 0.00 C ATOM 0 H PHE A 553 -7.536 -12.405 3.584 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.466 -11.207 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.086 -11.895 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.664 -10.747 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -7.741 -14.348 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.577 -11.219 4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.651 -15.817 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.486 -12.684 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.524 -14.989 4.904 1.00 0.00 H new ATOM 327 N SER A 554 -5.248 -14.308 4.811 1.00 0.00 N ATOM 328 CA SER A 554 -4.556 -15.529 5.206 1.00 0.00 C ATOM 329 C SER A 554 -3.054 -15.286 5.334 1.00 0.00 C ATOM 330 O SER A 554 -2.372 -15.950 6.113 1.00 0.00 O ATOM 331 CB SER A 554 -4.819 -16.641 4.189 1.00 0.00 C ATOM 332 OG SER A 554 -4.455 -17.906 4.711 1.00 0.00 O ATOM 0 H SER A 554 -5.608 -14.317 3.857 1.00 0.00 H new ATOM 0 HA SER A 554 -4.941 -15.837 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 554 -5.874 -16.647 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.255 -16.445 3.277 1.00 0.00 H new ATOM 0 HG SER A 554 -4.634 -18.600 4.042 1.00 0.00 H new ATOM 338 N ILE A 555 -2.549 -14.329 4.562 1.00 0.00 N ATOM 339 CA ILE A 555 -1.130 -13.998 4.589 1.00 0.00 C ATOM 340 C ILE A 555 -0.827 -12.966 5.670 1.00 0.00 C ATOM 341 O ILE A 555 -1.734 -12.329 6.210 1.00 0.00 O ATOM 342 CB ILE A 555 -0.652 -13.455 3.229 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.143 -12.020 3.028 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.140 -14.351 2.101 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.559 -11.348 1.804 1.00 0.00 C ATOM 0 H ILE A 555 -3.101 -13.770 3.911 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.595 -14.921 4.811 1.00 0.00 H new ATOM 0 HB ILE A 555 0.438 -13.451 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.230 -12.024 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.892 -11.432 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.795 -13.955 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.746 -15.358 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.229 -14.383 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.951 -10.334 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.527 -11.312 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.832 -11.914 0.913 1.00 0.00 H new ATOM 357 N THR A 556 0.455 -12.802 5.983 1.00 0.00 N ATOM 358 CA THR A 556 0.879 -11.847 6.999 1.00 0.00 C ATOM 359 C THR A 556 1.910 -10.873 6.442 1.00 0.00 C ATOM 360 O THR A 556 2.378 -11.026 5.313 1.00 0.00 O ATOM 361 CB THR A 556 1.473 -12.561 8.227 1.00 0.00 C ATOM 362 OG1 THR A 556 2.580 -13.378 7.832 1.00 0.00 O ATOM 363 CG2 THR A 556 0.422 -13.420 8.915 1.00 0.00 C ATOM 0 H THR A 556 1.218 -13.319 5.547 1.00 0.00 H new ATOM 0 HA THR A 556 -0.010 -11.294 7.304 1.00 0.00 H new ATOM 0 HB THR A 556 1.816 -11.802 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.953 -13.827 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.865 -13.914 9.779 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.406 -12.790 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.053 -14.171 8.217 1.00 0.00 H new ATOM 371 N LYS A 557 2.264 -9.872 7.241 1.00 0.00 N ATOM 372 CA LYS A 557 3.243 -8.873 6.829 1.00 0.00 C ATOM 373 C LYS A 557 4.442 -9.532 6.155 1.00 0.00 C ATOM 374 O LYS A 557 4.960 -9.029 5.159 1.00 0.00 O ATOM 375 CB LYS A 557 3.707 -8.056 8.037 1.00 0.00 C ATOM 376 CG LYS A 557 4.304 -6.710 7.668 1.00 0.00 C ATOM 377 CD LYS A 557 4.554 -5.854 8.898 1.00 0.00 C ATOM 378 CE LYS A 557 5.782 -6.324 9.664 1.00 0.00 C ATOM 379 NZ LYS A 557 5.697 -5.984 11.111 1.00 0.00 N ATOM 0 H LYS A 557 1.887 -9.731 8.178 1.00 0.00 H new ATOM 0 HA LYS A 557 2.766 -8.207 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.860 -7.898 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.447 -8.632 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.241 -6.861 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.630 -6.186 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.687 -4.814 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.681 -5.889 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.890 -7.403 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.674 -5.867 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.552 -6.321 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.619 -4.953 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.860 -6.441 11.526 1.00 0.00 H new ATOM 393 N MET A 558 4.877 -10.660 6.706 1.00 0.00 N ATOM 394 CA MET A 558 6.014 -11.389 6.155 1.00 0.00 C ATOM 395 C MET A 558 5.797 -11.703 4.679 1.00 0.00 C ATOM 396 O MET A 558 6.675 -11.469 3.849 1.00 0.00 O ATOM 397 CB MET A 558 6.243 -12.685 6.935 1.00 0.00 C ATOM 398 CG MET A 558 7.318 -13.576 6.334 1.00 0.00 C ATOM 399 SD MET A 558 8.966 -13.192 6.955 1.00 0.00 S ATOM 400 CE MET A 558 9.421 -11.826 5.890 1.00 0.00 C ATOM 0 H MET A 558 4.460 -11.089 7.532 1.00 0.00 H new ATOM 0 HA MET A 558 6.897 -10.756 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.519 -12.438 7.960 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.307 -13.241 6.982 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.085 -14.618 6.553 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.309 -13.469 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.358 -12.056 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.638 -11.666 5.149 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.545 -10.923 6.489 1.00 0.00 H new ATOM 410 N ASP A 559 4.622 -12.233 4.359 1.00 0.00 N ATOM 411 CA ASP A 559 4.287 -12.578 2.981 1.00 0.00 C ATOM 412 C ASP A 559 4.325 -11.342 2.087 1.00 0.00 C ATOM 413 O ASP A 559 5.026 -11.315 1.076 1.00 0.00 O ATOM 414 CB ASP A 559 2.905 -13.229 2.916 1.00 0.00 C ATOM 415 CG ASP A 559 2.946 -14.709 3.237 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.287 -15.059 4.387 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.636 -15.519 2.339 1.00 0.00 O ATOM 0 H ASP A 559 3.885 -12.433 5.035 1.00 0.00 H new ATOM 0 HA ASP A 559 5.030 -13.288 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.237 -12.727 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.487 -13.088 1.919 1.00 0.00 H new ATOM 422 N VAL A 560 3.563 -10.320 2.467 1.00 0.00 N ATOM 423 CA VAL A 560 3.509 -9.082 1.700 1.00 0.00 C ATOM 424 C VAL A 560 4.903 -8.642 1.268 1.00 0.00 C ATOM 425 O VAL A 560 5.092 -8.145 0.156 1.00 0.00 O ATOM 426 CB VAL A 560 2.855 -7.948 2.512 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.856 -6.652 1.715 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.440 -8.333 2.918 1.00 0.00 C ATOM 0 H VAL A 560 2.975 -10.326 3.301 1.00 0.00 H new ATOM 0 HA VAL A 560 2.904 -9.283 0.816 1.00 0.00 H new ATOM 0 HB VAL A 560 3.439 -7.789 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.390 -5.862 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 560 3.882 -6.371 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.296 -6.793 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.992 -7.521 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.843 -8.519 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.470 -9.235 3.529 1.00 0.00 H new ATOM 438 N LEU A 561 5.878 -8.827 2.151 1.00 0.00 N ATOM 439 CA LEU A 561 7.256 -8.451 1.861 1.00 0.00 C ATOM 440 C LEU A 561 7.788 -9.218 0.654 1.00 0.00 C ATOM 441 O LEU A 561 8.549 -8.679 -0.149 1.00 0.00 O ATOM 442 CB LEU A 561 8.144 -8.712 3.077 1.00 0.00 C ATOM 443 CG LEU A 561 7.826 -7.895 4.330 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.495 -8.506 5.550 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.260 -6.449 4.148 1.00 0.00 C ATOM 0 H LEU A 561 5.739 -9.236 3.075 1.00 0.00 H new ATOM 0 HA LEU A 561 7.274 -7.386 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.076 -9.770 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.179 -8.518 2.794 1.00 0.00 H new ATOM 0 HG LEU A 561 6.748 -7.912 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.257 -7.911 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.133 -9.525 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.575 -8.521 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.026 -5.883 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.334 -6.412 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.732 -6.015 3.299 1.00 0.00 H new ATOM 457 N GLN A 562 7.379 -10.476 0.532 1.00 0.00 N ATOM 458 CA GLN A 562 7.813 -11.317 -0.578 1.00 0.00 C ATOM 459 C GLN A 562 7.251 -10.805 -1.900 1.00 0.00 C ATOM 460 O GLN A 562 7.816 -11.056 -2.965 1.00 0.00 O ATOM 461 CB GLN A 562 7.376 -12.765 -0.350 1.00 0.00 C ATOM 462 CG GLN A 562 8.210 -13.779 -1.115 1.00 0.00 C ATOM 463 CD GLN A 562 8.010 -15.197 -0.615 1.00 0.00 C ATOM 464 OE1 GLN A 562 6.951 -15.793 -0.813 1.00 0.00 O ATOM 465 NE2 GLN A 562 9.029 -15.743 0.039 1.00 0.00 N ATOM 0 H GLN A 562 6.748 -10.936 1.188 1.00 0.00 H new ATOM 0 HA GLN A 562 8.901 -11.278 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.433 -12.990 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.331 -12.871 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.952 -13.731 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.264 -13.514 -1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.888 -15.212 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 562 8.952 -16.694 0.400 1.00 0.00 H new ATOM 474 N PHE A 563 6.135 -10.089 -1.825 1.00 0.00 N ATOM 475 CA PHE A 563 5.496 -9.542 -3.016 1.00 0.00 C ATOM 476 C PHE A 563 6.206 -8.275 -3.483 1.00 0.00 C ATOM 477 O PHE A 563 6.191 -7.943 -4.669 1.00 0.00 O ATOM 478 CB PHE A 563 4.022 -9.241 -2.736 1.00 0.00 C ATOM 479 CG PHE A 563 3.337 -8.510 -3.857 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.140 -9.123 -5.083 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.890 -7.210 -3.682 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.509 -8.454 -6.116 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.260 -6.536 -4.710 1.00 0.00 C ATOM 484 CZ PHE A 563 2.069 -7.158 -5.928 1.00 0.00 C ATOM 0 H PHE A 563 5.654 -9.874 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 563 5.564 -10.287 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.497 -10.178 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.947 -8.646 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.483 -10.136 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.036 -6.718 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.361 -8.943 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.917 -5.523 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.576 -6.632 -6.732 1.00 0.00 H new ATOM 494 N LEU A 564 6.828 -7.573 -2.543 1.00 0.00 N ATOM 495 CA LEU A 564 7.544 -6.342 -2.857 1.00 0.00 C ATOM 496 C LEU A 564 9.045 -6.596 -2.957 1.00 0.00 C ATOM 497 O LEU A 564 9.853 -5.705 -2.695 1.00 0.00 O ATOM 498 CB LEU A 564 7.266 -5.281 -1.791 1.00 0.00 C ATOM 499 CG LEU A 564 5.829 -4.759 -1.723 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.604 -3.984 -0.433 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.521 -3.887 -2.931 1.00 0.00 C ATOM 0 H LEU A 564 6.851 -7.835 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 564 7.189 -5.981 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.527 -5.695 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.931 -4.435 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 564 5.151 -5.613 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.577 -3.620 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.784 -4.638 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.290 -3.138 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.495 -3.525 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.205 -3.039 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.642 -4.472 -3.843 1.00 0.00 H new ATOM 513 N GLU A 565 9.409 -7.816 -3.339 1.00 0.00 N ATOM 514 CA GLU A 565 10.813 -8.185 -3.476 1.00 0.00 C ATOM 515 C GLU A 565 11.469 -7.418 -4.620 1.00 0.00 C ATOM 516 O GLU A 565 11.042 -7.511 -5.769 1.00 0.00 O ATOM 517 CB GLU A 565 10.946 -9.691 -3.714 1.00 0.00 C ATOM 518 CG GLU A 565 12.359 -10.130 -4.061 1.00 0.00 C ATOM 519 CD GLU A 565 12.393 -11.443 -4.819 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.327 -12.506 -4.168 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.484 -11.405 -6.064 1.00 0.00 O ATOM 0 H GLU A 565 8.752 -8.565 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 565 11.323 -7.924 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.619 -10.222 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.275 -9.983 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.839 -9.356 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.940 -10.229 -3.144 1.00 0.00 H new ATOM 528 N GLY A 566 12.512 -6.659 -4.295 1.00 0.00 N ATOM 529 CA GLY A 566 13.210 -5.886 -5.305 1.00 0.00 C ATOM 530 C GLY A 566 13.259 -4.408 -4.974 1.00 0.00 C ATOM 531 O GLY A 566 14.195 -3.709 -5.362 1.00 0.00 O ATOM 0 H GLY A 566 12.885 -6.566 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.226 -6.265 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.717 -6.023 -6.268 1.00 0.00 H new ATOM 535 N ILE A 567 12.249 -3.931 -4.255 1.00 0.00 N ATOM 536 CA ILE A 567 12.181 -2.526 -3.872 1.00 0.00 C ATOM 537 C ILE A 567 12.725 -2.313 -2.464 1.00 0.00 C ATOM 538 O ILE A 567 12.108 -2.694 -1.469 1.00 0.00 O ATOM 539 CB ILE A 567 10.737 -1.993 -3.938 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.211 -2.058 -5.373 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.672 -0.569 -3.407 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.705 -1.958 -5.471 1.00 0.00 C ATOM 0 H ILE A 567 11.467 -4.496 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 567 12.796 -1.975 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 567 10.105 -2.622 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.659 -1.250 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.535 -2.994 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.645 -0.207 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 567 11.009 -0.551 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.315 0.073 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.404 -2.011 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.249 -2.781 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.375 -1.010 -5.046 1.00 0.00 H new ATOM 554 N PRO A 568 13.909 -1.688 -2.375 1.00 0.00 N ATOM 555 CA PRO A 568 14.561 -1.409 -1.093 1.00 0.00 C ATOM 556 C PRO A 568 13.592 -0.848 -0.058 1.00 0.00 C ATOM 557 O PRO A 568 13.374 0.361 0.012 1.00 0.00 O ATOM 558 CB PRO A 568 15.620 -0.363 -1.455 1.00 0.00 C ATOM 559 CG PRO A 568 15.948 -0.635 -2.883 1.00 0.00 C ATOM 560 CD PRO A 568 14.700 -1.208 -3.520 1.00 0.00 C ATOM 0 HA PRO A 568 14.969 -2.312 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.238 0.649 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.502 -0.457 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 568 16.255 0.280 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.778 -1.337 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 568 14.160 -0.453 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.939 -2.018 -4.209 1.00 0.00 H new ATOM 568 N VAL A 569 13.012 -1.735 0.744 1.00 0.00 N ATOM 569 CA VAL A 569 12.066 -1.329 1.776 1.00 0.00 C ATOM 570 C VAL A 569 12.069 -2.312 2.942 1.00 0.00 C ATOM 571 O VAL A 569 12.113 -3.526 2.744 1.00 0.00 O ATOM 572 CB VAL A 569 10.636 -1.220 1.216 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.096 -2.597 0.857 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.724 -0.525 2.215 1.00 0.00 C ATOM 0 H VAL A 569 13.181 -2.740 0.699 1.00 0.00 H new ATOM 0 HA VAL A 569 12.386 -0.349 2.129 1.00 0.00 H new ATOM 0 HB VAL A 569 10.666 -0.619 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.084 -2.500 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.737 -3.054 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.080 -3.225 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.717 -0.457 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.698 -1.097 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.102 0.477 2.417 1.00 0.00 H new ATOM 584 N ASP A 570 12.024 -1.779 4.158 1.00 0.00 N ATOM 585 CA ASP A 570 12.020 -2.608 5.357 1.00 0.00 C ATOM 586 C ASP A 570 10.610 -3.095 5.676 1.00 0.00 C ATOM 587 O ASP A 570 9.644 -2.697 5.027 1.00 0.00 O ATOM 588 CB ASP A 570 12.585 -1.827 6.545 1.00 0.00 C ATOM 589 CG ASP A 570 13.192 -2.733 7.597 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.373 -3.112 7.444 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.488 -3.063 8.574 1.00 0.00 O ATOM 0 H ASP A 570 11.990 -0.776 4.339 1.00 0.00 H new ATOM 0 HA ASP A 570 12.651 -3.477 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.343 -1.129 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.791 -1.233 6.996 1.00 0.00 H new ATOM 596 N GLU A 571 10.502 -3.960 6.681 1.00 0.00 N ATOM 597 CA GLU A 571 9.209 -4.502 7.084 1.00 0.00 C ATOM 598 C GLU A 571 8.364 -3.437 7.776 1.00 0.00 C ATOM 599 O GLU A 571 7.170 -3.308 7.511 1.00 0.00 O ATOM 600 CB GLU A 571 9.403 -5.700 8.016 1.00 0.00 C ATOM 601 CG GLU A 571 10.238 -5.387 9.245 1.00 0.00 C ATOM 602 CD GLU A 571 10.341 -6.564 10.196 1.00 0.00 C ATOM 603 OE1 GLU A 571 9.507 -7.488 10.088 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.254 -6.561 11.048 1.00 0.00 O ATOM 0 H GLU A 571 11.292 -4.299 7.229 1.00 0.00 H new ATOM 0 HA GLU A 571 8.685 -4.829 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 571 8.426 -6.064 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.879 -6.508 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 571 11.239 -5.088 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 571 9.801 -4.538 9.770 1.00 0.00 H new ATOM 611 N ASN A 572 8.993 -2.677 8.666 1.00 0.00 N ATOM 612 CA ASN A 572 8.300 -1.623 9.398 1.00 0.00 C ATOM 613 C ASN A 572 7.602 -0.663 8.440 1.00 0.00 C ATOM 614 O ASN A 572 6.549 -0.112 8.756 1.00 0.00 O ATOM 615 CB ASN A 572 9.285 -0.854 10.281 1.00 0.00 C ATOM 616 CG ASN A 572 10.325 -1.759 10.912 1.00 0.00 C ATOM 617 OD1 ASN A 572 11.475 -1.802 10.473 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.925 -2.489 11.947 1.00 0.00 N ATOM 0 H ASN A 572 9.982 -2.771 8.898 1.00 0.00 H new ATOM 0 HA ASN A 572 7.545 -2.090 10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.785 -0.092 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.736 -0.334 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 572 10.581 -3.117 12.412 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.962 -2.421 12.277 1.00 0.00 H new ATOM 625 N ALA A 573 8.197 -0.469 7.267 1.00 0.00 N ATOM 626 CA ALA A 573 7.632 0.421 6.261 1.00 0.00 C ATOM 627 C ALA A 573 6.214 -0.001 5.890 1.00 0.00 C ATOM 628 O ALA A 573 5.421 0.810 5.410 1.00 0.00 O ATOM 629 CB ALA A 573 8.517 0.450 5.025 1.00 0.00 C ATOM 0 H ALA A 573 9.071 -0.917 6.991 1.00 0.00 H new ATOM 0 HA ALA A 573 7.586 1.425 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.083 1.119 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.511 0.806 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.593 -0.554 4.608 1.00 0.00 H new ATOM 635 N VAL A 574 5.902 -1.273 6.114 1.00 0.00 N ATOM 636 CA VAL A 574 4.579 -1.802 5.802 1.00 0.00 C ATOM 637 C VAL A 574 3.712 -1.884 7.054 1.00 0.00 C ATOM 638 O VAL A 574 4.154 -2.366 8.098 1.00 0.00 O ATOM 639 CB VAL A 574 4.670 -3.199 5.162 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.282 -3.736 4.851 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.526 -3.153 3.905 1.00 0.00 C ATOM 0 H VAL A 574 6.547 -1.957 6.510 1.00 0.00 H new ATOM 0 HA VAL A 574 4.122 -1.114 5.091 1.00 0.00 H new ATOM 0 HB VAL A 574 5.144 -3.875 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.367 -4.724 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.704 -3.807 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.778 -3.062 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.580 -4.149 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.082 -2.463 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.530 -2.814 4.161 1.00 0.00 H new ATOM 651 N HIS A 575 2.475 -1.411 6.942 1.00 0.00 N ATOM 652 CA HIS A 575 1.544 -1.433 8.064 1.00 0.00 C ATOM 653 C HIS A 575 0.276 -2.202 7.705 1.00 0.00 C ATOM 654 O HIS A 575 -0.577 -1.704 6.969 1.00 0.00 O ATOM 655 CB HIS A 575 1.187 -0.007 8.486 1.00 0.00 C ATOM 656 CG HIS A 575 2.264 0.674 9.273 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.023 1.349 10.450 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.595 0.778 9.046 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.158 1.841 10.912 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.127 1.508 10.079 1.00 0.00 N ATOM 0 H HIS A 575 2.094 -1.008 6.086 1.00 0.00 H new ATOM 0 HA HIS A 575 2.031 -1.940 8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.971 0.583 7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.274 -0.031 9.081 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.137 0.364 8.208 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.274 2.418 11.818 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.111 1.754 10.186 1.00 0.00 H new ATOM 668 N VAL A 576 0.160 -3.419 8.227 1.00 0.00 N ATOM 669 CA VAL A 576 -1.003 -4.257 7.961 1.00 0.00 C ATOM 670 C VAL A 576 -2.203 -3.809 8.789 1.00 0.00 C ATOM 671 O VAL A 576 -2.090 -3.582 9.994 1.00 0.00 O ATOM 672 CB VAL A 576 -0.708 -5.738 8.264 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.967 -6.576 8.107 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.402 -6.255 7.362 1.00 0.00 C ATOM 0 H VAL A 576 0.857 -3.846 8.837 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.236 -4.150 6.901 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.373 -5.820 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.739 -7.619 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.730 -6.219 8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.335 -6.491 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.597 -7.303 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.097 -6.161 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.308 -5.672 7.529 1.00 0.00 H new ATOM 684 N LEU A 577 -3.352 -3.687 8.135 1.00 0.00 N ATOM 685 CA LEU A 577 -4.576 -3.266 8.810 1.00 0.00 C ATOM 686 C LEU A 577 -5.193 -4.425 9.587 1.00 0.00 C ATOM 687 O LEU A 577 -4.862 -5.588 9.357 1.00 0.00 O ATOM 688 CB LEU A 577 -5.582 -2.726 7.793 1.00 0.00 C ATOM 689 CG LEU A 577 -5.340 -1.298 7.302 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.336 -0.931 6.212 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.429 -0.314 8.460 1.00 0.00 C ATOM 0 H LEU A 577 -3.463 -3.873 7.138 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.321 -2.474 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.586 -3.390 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.577 -2.773 8.236 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.336 -1.245 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.148 0.089 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.225 -1.617 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.350 -1.002 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.254 0.697 8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.420 -0.370 8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.676 -0.563 9.208 1.00 0.00 H new ATOM 809 N GLY A 586 -7.973 -7.757 4.742 1.00 0.00 N ATOM 810 CA GLY A 586 -7.150 -7.979 3.568 1.00 0.00 C ATOM 811 C GLY A 586 -6.647 -6.685 2.958 1.00 0.00 C ATOM 812 O GLY A 586 -6.973 -6.363 1.816 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.299 -8.605 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.726 -8.528 2.823 1.00 0.00 H new ATOM 816 N GLN A 587 -5.853 -5.942 3.722 1.00 0.00 N ATOM 817 CA GLN A 587 -5.307 -4.675 3.250 1.00 0.00 C ATOM 818 C GLN A 587 -4.036 -4.314 4.009 1.00 0.00 C ATOM 819 O GLN A 587 -3.903 -4.614 5.196 1.00 0.00 O ATOM 820 CB GLN A 587 -6.342 -3.560 3.406 1.00 0.00 C ATOM 821 CG GLN A 587 -7.635 -3.818 2.648 1.00 0.00 C ATOM 822 CD GLN A 587 -8.629 -2.683 2.785 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.287 -1.516 2.588 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.868 -3.018 3.123 1.00 0.00 N ATOM 0 H GLN A 587 -5.574 -6.195 4.670 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.059 -4.786 2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.570 -3.433 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.908 -2.622 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.408 -3.972 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.089 -4.739 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -10.108 -3.997 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.581 -2.296 3.229 1.00 0.00 H new ATOM 833 N ALA A 588 -3.102 -3.669 3.317 1.00 0.00 N ATOM 834 CA ALA A 588 -1.841 -3.266 3.928 1.00 0.00 C ATOM 835 C ALA A 588 -1.295 -2.001 3.274 1.00 0.00 C ATOM 836 O ALA A 588 -1.478 -1.780 2.076 1.00 0.00 O ATOM 837 CB ALA A 588 -0.823 -4.393 3.831 1.00 0.00 C ATOM 0 H ALA A 588 -3.195 -3.415 2.334 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.028 -3.050 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.114 -4.078 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.204 -5.273 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.648 -4.636 2.783 1.00 0.00 H new ATOM 843 N LEU A 589 -0.623 -1.173 4.067 1.00 0.00 N ATOM 844 CA LEU A 589 -0.050 0.071 3.565 1.00 0.00 C ATOM 845 C LEU A 589 1.471 -0.013 3.511 1.00 0.00 C ATOM 846 O LEU A 589 2.093 -0.713 4.311 1.00 0.00 O ATOM 847 CB LEU A 589 -0.477 1.244 4.448 1.00 0.00 C ATOM 848 CG LEU A 589 -1.923 1.714 4.290 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.357 2.526 5.501 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.084 2.527 3.014 1.00 0.00 C ATOM 0 H LEU A 589 -0.462 -1.341 5.060 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.422 0.232 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.319 0.964 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.182 2.087 4.241 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.564 0.835 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.389 2.852 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.282 1.911 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.712 3.398 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.120 2.853 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.431 3.399 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.816 1.912 2.155 1.00 0.00 H new ATOM 862 N VAL A 590 2.065 0.706 2.564 1.00 0.00 N ATOM 863 CA VAL A 590 3.516 0.716 2.408 1.00 0.00 C ATOM 864 C VAL A 590 4.042 2.138 2.257 1.00 0.00 C ATOM 865 O VAL A 590 3.522 2.922 1.464 1.00 0.00 O ATOM 866 CB VAL A 590 3.954 -0.114 1.187 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.465 -0.291 1.175 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.251 -1.464 1.182 1.00 0.00 C ATOM 0 H VAL A 590 1.565 1.289 1.893 1.00 0.00 H new ATOM 0 HA VAL A 590 3.935 0.271 3.310 1.00 0.00 H new ATOM 0 HB VAL A 590 3.668 0.423 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.755 -0.880 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.945 0.686 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.778 -0.806 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.572 -2.038 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.505 -2.010 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.172 -1.312 1.139 1.00 0.00 H new ATOM 878 N GLN A 591 5.079 2.464 3.023 1.00 0.00 N ATOM 879 CA GLN A 591 5.676 3.794 2.974 1.00 0.00 C ATOM 880 C GLN A 591 7.120 3.723 2.491 1.00 0.00 C ATOM 881 O GLN A 591 7.895 2.878 2.940 1.00 0.00 O ATOM 882 CB GLN A 591 5.619 4.453 4.353 1.00 0.00 C ATOM 883 CG GLN A 591 5.664 5.971 4.304 1.00 0.00 C ATOM 884 CD GLN A 591 6.302 6.576 5.538 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.271 7.331 5.444 1.00 0.00 O ATOM 886 NE2 GLN A 591 5.761 6.248 6.706 1.00 0.00 N ATOM 0 H GLN A 591 5.523 1.826 3.684 1.00 0.00 H new ATOM 0 HA GLN A 591 5.104 4.396 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.705 4.141 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.454 4.092 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.220 6.286 3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.650 6.357 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 591 4.959 5.619 6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.148 6.625 7.571 1.00 0.00 H new ATOM 895 N PHE A 592 7.477 4.616 1.574 1.00 0.00 N ATOM 896 CA PHE A 592 8.829 4.655 1.029 1.00 0.00 C ATOM 897 C PHE A 592 9.535 5.950 1.416 1.00 0.00 C ATOM 898 O PHE A 592 8.902 6.905 1.870 1.00 0.00 O ATOM 899 CB PHE A 592 8.791 4.517 -0.495 1.00 0.00 C ATOM 900 CG PHE A 592 8.119 3.259 -0.966 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.829 2.074 -1.066 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.777 3.264 -1.311 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.212 0.915 -1.499 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.156 2.108 -1.745 1.00 0.00 C ATOM 905 CZ PHE A 592 6.874 0.932 -1.840 1.00 0.00 C ATOM 0 H PHE A 592 6.848 5.323 1.192 1.00 0.00 H new ATOM 0 HA PHE A 592 9.387 3.819 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.271 5.377 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.811 4.541 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.876 2.055 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.210 4.181 -1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.776 -0.003 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.109 2.124 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.390 0.028 -2.180 1.00 0.00 H new ATOM 915 N LYS A 593 10.851 5.978 1.234 1.00 0.00 N ATOM 916 CA LYS A 593 11.645 7.156 1.564 1.00 0.00 C ATOM 917 C LYS A 593 11.457 8.248 0.517 1.00 0.00 C ATOM 918 O LYS A 593 11.179 9.399 0.852 1.00 0.00 O ATOM 919 CB LYS A 593 13.126 6.784 1.668 1.00 0.00 C ATOM 920 CG LYS A 593 13.442 5.868 2.837 1.00 0.00 C ATOM 921 CD LYS A 593 13.713 6.656 4.107 1.00 0.00 C ATOM 922 CE LYS A 593 13.549 5.791 5.347 1.00 0.00 C ATOM 923 NZ LYS A 593 12.185 5.200 5.434 1.00 0.00 N ATOM 0 H LYS A 593 11.391 5.198 0.859 1.00 0.00 H new ATOM 0 HA LYS A 593 11.303 7.537 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.436 6.298 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.715 7.696 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.607 5.187 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.311 5.256 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.725 7.061 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.031 7.505 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.291 4.992 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 593 13.742 6.391 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 11.947 5.021 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 11.494 5.861 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 12.160 4.304 4.906 1.00 0.00 H new ATOM 937 N ASN A 594 11.609 7.880 -0.751 1.00 0.00 N ATOM 938 CA ASN A 594 11.455 8.830 -1.847 1.00 0.00 C ATOM 939 C ASN A 594 10.597 8.239 -2.962 1.00 0.00 C ATOM 940 O ASN A 594 10.491 7.022 -3.096 1.00 0.00 O ATOM 941 CB ASN A 594 12.824 9.230 -2.400 1.00 0.00 C ATOM 942 CG ASN A 594 13.882 9.317 -1.316 1.00 0.00 C ATOM 943 OD1 ASN A 594 14.720 8.427 -1.178 1.00 0.00 O ATOM 944 ND2 ASN A 594 13.846 10.395 -0.540 1.00 0.00 N ATOM 0 H ASN A 594 11.839 6.931 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 594 10.955 9.717 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.136 8.504 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.742 10.194 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.532 10.509 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 594 13.133 11.108 -0.691 1.00 0.00 H new ATOM 951 N GLU A 595 9.988 9.113 -3.758 1.00 0.00 N ATOM 952 CA GLU A 595 9.139 8.678 -4.860 1.00 0.00 C ATOM 953 C GLU A 595 9.849 7.628 -5.711 1.00 0.00 C ATOM 954 O GLU A 595 9.208 6.779 -6.332 1.00 0.00 O ATOM 955 CB GLU A 595 8.743 9.871 -5.731 1.00 0.00 C ATOM 956 CG GLU A 595 7.927 10.919 -4.993 1.00 0.00 C ATOM 957 CD GLU A 595 8.793 11.910 -4.239 1.00 0.00 C ATOM 958 OE1 GLU A 595 9.243 12.895 -4.861 1.00 0.00 O ATOM 959 OE2 GLU A 595 9.020 11.700 -3.030 1.00 0.00 O ATOM 0 H GLU A 595 10.067 10.125 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 595 8.239 8.232 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.646 10.337 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.170 9.512 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.303 11.457 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 595 7.255 10.423 -4.293 1.00 0.00 H new ATOM 966 N ASP A 596 11.176 7.691 -5.734 1.00 0.00 N ATOM 967 CA ASP A 596 11.972 6.746 -6.507 1.00 0.00 C ATOM 968 C ASP A 596 11.395 5.337 -6.407 1.00 0.00 C ATOM 969 O ASP A 596 11.183 4.670 -7.419 1.00 0.00 O ATOM 970 CB ASP A 596 13.422 6.752 -6.020 1.00 0.00 C ATOM 971 CG ASP A 596 13.643 5.818 -4.846 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.582 4.588 -5.048 1.00 0.00 O ATOM 973 OD2 ASP A 596 13.876 6.318 -3.726 1.00 0.00 O ATOM 0 H ASP A 596 11.722 8.387 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 596 11.945 7.056 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.079 6.462 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.701 7.765 -5.732 1.00 0.00 H new ATOM 978 N ASP A 597 11.144 4.893 -5.181 1.00 0.00 N ATOM 979 CA ASP A 597 10.591 3.563 -4.948 1.00 0.00 C ATOM 980 C ASP A 597 9.082 3.555 -5.176 1.00 0.00 C ATOM 981 O ASP A 597 8.521 2.567 -5.649 1.00 0.00 O ATOM 982 CB ASP A 597 10.907 3.098 -3.526 1.00 0.00 C ATOM 983 CG ASP A 597 12.389 2.866 -3.308 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.943 1.941 -3.938 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.995 3.608 -2.508 1.00 0.00 O ATOM 0 H ASP A 597 11.314 5.434 -4.333 1.00 0.00 H new ATOM 0 HA ASP A 597 11.051 2.875 -5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.551 3.844 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.364 2.176 -3.319 1.00 0.00 H new ATOM 990 N ALA A 598 8.431 4.663 -4.836 1.00 0.00 N ATOM 991 CA ALA A 598 6.989 4.783 -5.005 1.00 0.00 C ATOM 992 C ALA A 598 6.580 4.514 -6.449 1.00 0.00 C ATOM 993 O ALA A 598 5.757 3.639 -6.718 1.00 0.00 O ATOM 994 CB ALA A 598 6.520 6.165 -4.571 1.00 0.00 C ATOM 0 H ALA A 598 8.880 5.490 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 598 6.511 4.033 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.441 6.241 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.769 6.321 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 598 7.014 6.924 -5.178 1.00 0.00 H new ATOM 1000 N ARG A 599 7.160 5.270 -7.375 1.00 0.00 N ATOM 1001 CA ARG A 599 6.855 5.114 -8.791 1.00 0.00 C ATOM 1002 C ARG A 599 7.023 3.661 -9.226 1.00 0.00 C ATOM 1003 O ARG A 599 6.372 3.204 -10.166 1.00 0.00 O ATOM 1004 CB ARG A 599 7.759 6.017 -9.633 1.00 0.00 C ATOM 1005 CG ARG A 599 9.054 5.349 -10.065 1.00 0.00 C ATOM 1006 CD ARG A 599 8.898 4.645 -11.405 1.00 0.00 C ATOM 1007 NE ARG A 599 8.601 5.583 -12.484 1.00 0.00 N ATOM 1008 CZ ARG A 599 8.457 5.220 -13.754 1.00 0.00 C ATOM 1009 NH1 ARG A 599 8.582 3.946 -14.101 1.00 0.00 N ATOM 1010 NH2 ARG A 599 8.187 6.131 -14.680 1.00 0.00 N ATOM 0 H ARG A 599 7.845 5.998 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 599 5.816 5.405 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 599 7.213 6.339 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.996 6.914 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 599 9.844 6.096 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 599 9.363 4.628 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 599 9.814 4.102 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 599 8.099 3.907 -11.336 1.00 0.00 H new ATOM 0 HE ARG A 599 8.499 6.571 -12.250 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.789 3.242 -13.392 1.00 0.00 H new ATOM 0 HH12 ARG A 599 8.471 3.670 -15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 599 8.090 7.112 -14.417 1.00 0.00 H new ATOM 0 HH22 ARG A 599 8.077 5.851 -15.654 1.00 0.00 H new ATOM 1024 N LYS A 600 7.901 2.940 -8.537 1.00 0.00 N ATOM 1025 CA LYS A 600 8.155 1.539 -8.850 1.00 0.00 C ATOM 1026 C LYS A 600 7.026 0.653 -8.333 1.00 0.00 C ATOM 1027 O LYS A 600 6.503 -0.190 -9.060 1.00 0.00 O ATOM 1028 CB LYS A 600 9.488 1.093 -8.244 1.00 0.00 C ATOM 1029 CG LYS A 600 10.694 1.797 -8.842 1.00 0.00 C ATOM 1030 CD LYS A 600 11.993 1.132 -8.420 1.00 0.00 C ATOM 1031 CE LYS A 600 12.554 1.761 -7.154 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.027 1.565 -7.044 1.00 0.00 N ATOM 0 H LYS A 600 8.449 3.303 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 600 8.205 1.438 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.468 1.275 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.599 0.018 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.618 1.791 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.700 2.841 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.822 0.068 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.724 1.216 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.328 2.827 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.063 1.325 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.372 2.008 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.241 0.548 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.497 2.003 -7.862 1.00 0.00 H new ATOM 1046 N SER A 601 6.656 0.849 -7.072 1.00 0.00 N ATOM 1047 CA SER A 601 5.591 0.066 -6.456 1.00 0.00 C ATOM 1048 C SER A 601 4.320 0.123 -7.296 1.00 0.00 C ATOM 1049 O SER A 601 3.652 -0.890 -7.499 1.00 0.00 O ATOM 1050 CB SER A 601 5.306 0.578 -5.042 1.00 0.00 C ATOM 1051 OG SER A 601 4.644 1.830 -5.077 1.00 0.00 O ATOM 0 H SER A 601 7.078 1.544 -6.456 1.00 0.00 H new ATOM 0 HA SER A 601 5.921 -0.971 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.693 -0.146 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.242 0.673 -4.491 1.00 0.00 H new ATOM 0 HG SER A 601 5.194 2.477 -5.566 1.00 0.00 H new ATOM 1057 N GLU A 602 3.992 1.316 -7.783 1.00 0.00 N ATOM 1058 CA GLU A 602 2.801 1.505 -8.601 1.00 0.00 C ATOM 1059 C GLU A 602 2.878 0.671 -9.877 1.00 0.00 C ATOM 1060 O GLU A 602 1.866 0.428 -10.534 1.00 0.00 O ATOM 1061 CB GLU A 602 2.628 2.984 -8.955 1.00 0.00 C ATOM 1062 CG GLU A 602 3.758 3.543 -9.803 1.00 0.00 C ATOM 1063 CD GLU A 602 3.313 4.701 -10.676 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.124 4.735 -11.055 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.155 5.573 -10.979 1.00 0.00 O ATOM 0 H GLU A 602 4.535 2.165 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 602 1.939 1.173 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.686 3.113 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.555 3.563 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.567 3.874 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.160 2.751 -10.434 1.00 0.00 H new ATOM 1072 N ARG A 603 4.086 0.238 -10.221 1.00 0.00 N ATOM 1073 CA ARG A 603 4.297 -0.566 -11.418 1.00 0.00 C ATOM 1074 C ARG A 603 3.782 -1.989 -11.215 1.00 0.00 C ATOM 1075 O ARG A 603 3.678 -2.765 -12.166 1.00 0.00 O ATOM 1076 CB ARG A 603 5.783 -0.597 -11.783 1.00 0.00 C ATOM 1077 CG ARG A 603 6.058 -1.164 -13.166 1.00 0.00 C ATOM 1078 CD ARG A 603 7.548 -1.369 -13.398 1.00 0.00 C ATOM 1079 NE ARG A 603 7.897 -1.288 -14.813 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.144 -1.165 -15.255 1.00 0.00 C ATOM 1081 NH1 ARG A 603 10.153 -1.107 -14.399 1.00 0.00 N ATOM 1082 NH2 ARG A 603 9.382 -1.097 -16.559 1.00 0.00 N ATOM 0 H ARG A 603 4.934 0.431 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 603 3.739 -0.109 -12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.183 0.415 -11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.318 -1.192 -11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.537 -2.114 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.660 -0.488 -13.923 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.108 -0.617 -12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 603 7.846 -2.342 -13.006 1.00 0.00 H new ATOM 0 HE ARG A 603 7.143 -1.328 -15.499 1.00 0.00 H new ATOM 0 HH11 ARG A 603 9.974 -1.157 -13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 603 11.109 -1.013 -14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.608 -1.139 -17.222 1.00 0.00 H new ATOM 0 HH22 ARG A 603 10.339 -1.003 -16.898 1.00 0.00 H new ATOM 1096 N LEU A 604 3.465 -2.326 -9.970 1.00 0.00 N ATOM 1097 CA LEU A 604 2.962 -3.654 -9.641 1.00 0.00 C ATOM 1098 C LEU A 604 1.438 -3.658 -9.571 1.00 0.00 C ATOM 1099 O LEU A 604 0.830 -4.615 -9.090 1.00 0.00 O ATOM 1100 CB LEU A 604 3.546 -4.127 -8.309 1.00 0.00 C ATOM 1101 CG LEU A 604 5.020 -4.533 -8.328 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.531 -4.756 -6.914 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.218 -5.783 -9.172 1.00 0.00 C ATOM 0 H LEU A 604 3.548 -1.697 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 604 3.273 -4.338 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.419 -3.330 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 604 2.960 -4.977 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 604 5.594 -3.722 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.582 -5.044 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.426 -3.836 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 604 4.953 -5.548 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.273 -6.057 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.631 -6.601 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.892 -5.588 -10.194 1.00 0.00 H new ATOM 1115 N HIS A 605 0.826 -2.582 -10.055 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.629 -2.462 -10.051 1.00 0.00 C ATOM 1117 C HIS A 605 -1.265 -3.541 -10.922 1.00 0.00 C ATOM 1118 O HIS A 605 -0.747 -3.878 -11.986 1.00 0.00 O ATOM 1119 CB HIS A 605 -1.048 -1.078 -10.543 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.521 -0.826 -10.437 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.269 -1.189 -9.337 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.384 -0.240 -11.300 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.529 -0.840 -9.529 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.625 -0.262 -10.713 1.00 0.00 N ATOM 0 H HIS A 605 1.314 -1.781 -10.455 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.978 -2.595 -9.027 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.516 -0.320 -9.968 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.742 -0.963 -11.583 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.141 0.169 -12.270 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.342 -1.000 -8.836 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.482 0.108 -11.124 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.391 -4.078 -10.462 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.096 -5.119 -11.198 1.00 0.00 C ATOM 1134 C ARG A 606 -2.260 -6.393 -11.276 1.00 0.00 C ATOM 1135 O ARG A 606 -2.197 -7.045 -12.319 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.438 -4.634 -12.609 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.151 -3.292 -12.635 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.571 -2.911 -14.047 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.428 -2.532 -14.874 1.00 0.00 N ATOM 1140 CZ ARG A 606 -3.537 -1.860 -16.014 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.730 -1.494 -16.460 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -2.450 -1.552 -16.710 1.00 0.00 N ATOM 0 H ARG A 606 -2.834 -3.809 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.019 -5.343 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.519 -4.559 -13.191 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.066 -5.379 -13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.030 -3.333 -11.992 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.495 -2.522 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.091 -3.750 -14.510 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.278 -2.083 -14.004 1.00 0.00 H new ATOM 0 HE ARG A 606 -2.495 -2.798 -14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.568 -1.728 -15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -4.811 -0.978 -17.336 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.530 -1.832 -16.369 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -2.534 -1.036 -17.586 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.618 -6.742 -10.167 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.785 -7.937 -10.107 1.00 0.00 C ATOM 1158 C LYS A 607 -1.592 -9.139 -9.624 1.00 0.00 C ATOM 1159 O LYS A 607 -2.802 -9.045 -9.417 1.00 0.00 O ATOM 1160 CB LYS A 607 0.409 -7.705 -9.179 1.00 0.00 C ATOM 1161 CG LYS A 607 1.609 -7.087 -9.876 1.00 0.00 C ATOM 1162 CD LYS A 607 2.489 -8.146 -10.518 1.00 0.00 C ATOM 1163 CE LYS A 607 1.867 -8.687 -11.797 1.00 0.00 C ATOM 1164 NZ LYS A 607 2.893 -9.249 -12.718 1.00 0.00 N ATOM 0 H LYS A 607 -1.659 -6.213 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.420 -8.147 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.101 -7.056 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.706 -8.656 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.267 -6.386 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.194 -6.515 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.468 -7.722 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.648 -8.964 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 607 1.140 -9.460 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 607 1.324 -7.889 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 2.429 -9.607 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.573 -8.505 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.395 -10.028 -12.245 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.914 -10.267 -9.444 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.566 -11.486 -8.984 1.00 0.00 C ATOM 1180 C LYS A 608 -0.858 -12.051 -7.755 1.00 0.00 C ATOM 1181 O LYS A 608 0.109 -12.804 -7.875 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.585 -12.533 -10.100 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.208 -12.033 -11.391 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.314 -13.141 -12.426 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.047 -12.672 -13.673 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.517 -12.886 -13.566 1.00 0.00 N ATOM 0 H LYS A 608 0.088 -10.362 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.591 -11.238 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.564 -12.857 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.135 -13.409 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.200 -11.630 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.609 -11.215 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.315 -13.483 -12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -2.837 -13.994 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -2.845 -11.613 -13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -2.664 -13.207 -14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -4.980 -12.554 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -4.712 -13.899 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -4.887 -12.355 -12.752 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.347 -11.684 -6.576 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.762 -12.155 -5.326 1.00 0.00 C ATOM 1202 C LEU A 609 -1.516 -13.370 -4.795 1.00 0.00 C ATOM 1203 O LEU A 609 -2.682 -13.271 -4.413 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.773 -11.037 -4.281 1.00 0.00 C ATOM 1205 CG LEU A 609 0.183 -11.211 -3.102 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.045 -10.053 -2.127 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.074 -12.536 -2.397 1.00 0.00 C ATOM 0 H LEU A 609 -2.147 -11.062 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 609 0.269 -12.448 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.535 -10.098 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.786 -10.942 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 609 1.203 -11.217 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.734 -10.195 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.279 -9.118 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.977 -10.014 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.616 -12.643 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.099 -12.559 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 609 0.077 -13.357 -3.098 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.843 -14.515 -4.772 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.449 -15.749 -4.287 1.00 0.00 C ATOM 1221 C ASN A 610 -2.659 -16.130 -5.134 1.00 0.00 C ATOM 1222 O ASN A 610 -3.670 -16.600 -4.613 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.863 -15.597 -2.823 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.692 -15.744 -1.871 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.465 -15.753 -2.291 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.988 -15.860 -0.581 1.00 0.00 N ATOM 0 H ASN A 610 0.123 -14.614 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.708 -16.545 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.324 -14.620 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.619 -16.345 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.241 -15.962 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.962 -15.847 -0.278 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.548 -15.925 -6.443 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.641 -16.253 -7.340 1.00 0.00 C ATOM 1235 C GLY A 611 -4.793 -15.275 -7.231 1.00 0.00 C ATOM 1236 O GLY A 611 -5.884 -15.531 -7.742 1.00 0.00 O ATOM 0 H GLY A 611 -1.721 -15.538 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.274 -16.264 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.000 -17.258 -7.119 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.554 -14.151 -6.563 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.581 -13.133 -6.387 1.00 0.00 C ATOM 1242 C ARG A 612 -5.122 -11.792 -6.954 1.00 0.00 C ATOM 1243 O ARG A 612 -3.985 -11.375 -6.739 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.928 -12.980 -4.905 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.835 -14.079 -4.376 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.668 -13.595 -3.199 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.858 -12.866 -3.633 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.815 -12.464 -2.806 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.724 -12.716 -1.508 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.867 -11.806 -3.276 1.00 0.00 N ATOM 0 H ARG A 612 -3.657 -13.923 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.470 -13.452 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.006 -12.970 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.412 -12.016 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.494 -14.423 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.232 -14.934 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.968 -14.449 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -7.059 -12.950 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.959 -12.655 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -8.917 -13.220 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -10.461 -12.406 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.941 -11.609 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.602 -11.498 -2.639 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.015 -11.124 -7.678 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.700 -9.833 -8.277 1.00 0.00 C ATOM 1266 C GLU A 613 -5.488 -8.772 -7.200 1.00 0.00 C ATOM 1267 O GLU A 613 -6.363 -8.533 -6.369 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.819 -9.398 -9.224 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.945 -10.273 -10.460 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.901 -9.698 -11.486 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -7.829 -8.479 -11.749 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.722 -10.468 -12.028 1.00 0.00 O ATOM 0 H GLU A 613 -6.962 -11.456 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.776 -9.940 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.766 -9.409 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.641 -8.368 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -5.962 -10.397 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.288 -11.265 -10.165 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.320 -8.138 -7.223 1.00 0.00 N ATOM 1280 CA ALA A 614 -3.993 -7.102 -6.252 1.00 0.00 C ATOM 1281 C ALA A 614 -4.116 -5.713 -6.868 1.00 0.00 C ATOM 1282 O ALA A 614 -3.766 -5.506 -8.030 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.591 -7.317 -5.703 1.00 0.00 C ATOM 0 H ALA A 614 -3.584 -8.324 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.707 -7.170 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.360 -6.536 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.536 -8.291 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -1.871 -7.279 -6.520 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.615 -4.764 -6.082 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.785 -3.394 -6.552 1.00 0.00 C ATOM 1291 C PHE A 615 -3.991 -2.420 -5.688 1.00 0.00 C ATOM 1292 O PHE A 615 -4.239 -2.291 -4.489 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.265 -3.010 -6.544 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.089 -3.774 -7.542 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.246 -3.302 -8.835 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.704 -4.964 -7.187 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.004 -4.003 -9.755 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.462 -5.668 -8.102 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.612 -5.188 -9.389 1.00 0.00 C ATOM 0 H PHE A 615 -4.908 -4.919 -5.117 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.407 -3.337 -7.573 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.670 -3.178 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.356 -1.944 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -6.771 -2.377 -9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -7.589 -5.345 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -8.121 -3.624 -10.760 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -8.937 -6.593 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.203 -5.738 -10.107 1.00 0.00 H new ATOM 1309 N VAL A 616 -3.032 -1.736 -6.305 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.200 -0.773 -5.592 1.00 0.00 C ATOM 1311 C VAL A 616 -2.635 0.657 -5.894 1.00 0.00 C ATOM 1312 O VAL A 616 -3.020 0.975 -7.019 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.713 -0.935 -5.962 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.135 0.090 -5.224 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.240 -2.348 -5.659 1.00 0.00 C ATOM 0 H VAL A 616 -2.812 -1.831 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.326 -0.971 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.601 -0.761 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.182 -0.039 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.190 1.094 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.021 -0.050 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.812 -2.445 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.365 -2.553 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.828 -3.060 -6.237 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.571 1.514 -4.880 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.956 2.912 -5.037 1.00 0.00 C ATOM 1327 C HIS A 617 -1.908 3.837 -4.425 1.00 0.00 C ATOM 1328 O HIS A 617 -1.611 3.753 -3.234 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.317 3.163 -4.385 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.471 2.648 -5.190 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.055 1.420 -4.966 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.148 3.204 -6.222 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.042 1.242 -5.826 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.120 2.310 -6.598 1.00 0.00 N ATOM 0 H HIS A 617 -2.257 1.265 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.026 3.127 -6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.332 2.693 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.443 4.234 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.959 4.170 -6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.677 0.371 -5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.793 2.449 -7.352 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.351 4.719 -5.250 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.336 5.659 -4.790 1.00 0.00 C ATOM 1344 C VAL A 618 -0.974 6.869 -4.115 1.00 0.00 C ATOM 1345 O VAL A 618 -1.707 7.631 -4.746 1.00 0.00 O ATOM 1346 CB VAL A 618 0.550 6.142 -5.955 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.539 7.192 -5.473 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.274 4.968 -6.594 1.00 0.00 C ATOM 0 H VAL A 618 -1.586 4.802 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 618 0.284 5.128 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.089 6.600 -6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.156 7.521 -6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.995 8.044 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.176 6.764 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.895 5.327 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.903 4.480 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.544 4.255 -6.976 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.687 7.040 -2.829 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.231 8.158 -2.067 1.00 0.00 C ATOM 1360 C VAL A 619 -0.121 8.946 -1.379 1.00 0.00 C ATOM 1361 O VAL A 619 1.063 8.657 -1.557 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.239 7.678 -1.005 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.432 7.007 -1.668 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.564 6.734 -0.021 1.00 0.00 C ATOM 0 H VAL A 619 -0.081 6.419 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.745 8.804 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.601 8.545 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.134 6.674 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.927 7.717 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.091 6.148 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.289 6.404 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.174 5.868 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.744 7.252 0.477 1.00 0.00 H new ATOM 1374 N THR A 620 -0.513 9.942 -0.591 1.00 0.00 N ATOM 1375 CA THR A 620 0.449 10.773 0.124 1.00 0.00 C ATOM 1376 C THR A 620 0.677 10.255 1.539 1.00 0.00 C ATOM 1377 O THR A 620 0.018 9.312 1.980 1.00 0.00 O ATOM 1378 CB THR A 620 -0.019 12.239 0.196 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.403 12.294 0.561 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.186 12.938 -1.139 1.00 0.00 C ATOM 0 H THR A 620 -1.489 10.193 -0.432 1.00 0.00 H new ATOM 0 HA THR A 620 1.384 10.725 -0.433 1.00 0.00 H new ATOM 0 HB THR A 620 0.577 12.751 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.692 13.229 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.152 13.972 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.244 12.920 -1.401 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.387 12.424 -1.911 1.00 0.00 H new ATOM 1388 N LEU A 621 1.614 10.876 2.248 1.00 0.00 N ATOM 1389 CA LEU A 621 1.930 10.478 3.615 1.00 0.00 C ATOM 1390 C LEU A 621 0.746 10.733 4.544 1.00 0.00 C ATOM 1391 O LEU A 621 0.238 9.814 5.183 1.00 0.00 O ATOM 1392 CB LEU A 621 3.160 11.236 4.117 1.00 0.00 C ATOM 1393 CG LEU A 621 3.880 10.625 5.320 1.00 0.00 C ATOM 1394 CD1 LEU A 621 2.890 10.310 6.431 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.637 9.371 4.907 1.00 0.00 C ATOM 0 H LEU A 621 2.168 11.658 1.898 1.00 0.00 H new ATOM 0 HA LEU A 621 2.145 9.409 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.872 11.318 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.856 12.250 4.377 1.00 0.00 H new ATOM 0 HG LEU A 621 4.599 11.352 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.420 9.876 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.392 11.227 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 621 2.147 9.601 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.143 8.949 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.937 8.639 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.374 9.625 4.145 1.00 0.00 H new ATOM 1407 N GLU A 622 0.313 11.988 4.609 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.811 12.364 5.459 1.00 0.00 C ATOM 1409 C GLU A 622 -2.006 11.447 5.217 1.00 0.00 C ATOM 1410 O GLU A 622 -2.658 10.996 6.159 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.209 13.819 5.201 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.517 14.117 3.743 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.484 15.600 3.431 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.522 16.268 3.615 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -0.419 16.093 3.003 1.00 0.00 O ATOM 0 H GLU A 622 0.723 12.761 4.084 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.500 12.259 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -2.084 14.060 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -0.402 14.472 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -0.795 13.600 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -2.501 13.719 3.495 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.288 11.175 3.947 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.404 10.312 3.580 1.00 0.00 C ATOM 1424 C ASP A 623 -3.249 8.929 4.205 1.00 0.00 C ATOM 1425 O ASP A 623 -4.150 8.442 4.888 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.503 10.190 2.059 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.302 11.320 1.437 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.115 11.936 2.156 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -4.112 11.587 0.233 1.00 0.00 O ATOM 0 H ASP A 623 -1.759 11.540 3.155 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.321 10.762 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.500 10.181 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.967 9.237 1.803 1.00 0.00 H new ATOM 1434 N MET A 624 -2.103 8.302 3.963 1.00 0.00 N ATOM 1435 CA MET A 624 -1.831 6.974 4.504 1.00 0.00 C ATOM 1436 C MET A 624 -2.183 6.907 5.986 1.00 0.00 C ATOM 1437 O MET A 624 -2.599 5.863 6.489 1.00 0.00 O ATOM 1438 CB MET A 624 -0.360 6.609 4.299 1.00 0.00 C ATOM 1439 CG MET A 624 -0.043 5.160 4.629 1.00 0.00 C ATOM 1440 SD MET A 624 1.694 4.906 5.047 1.00 0.00 S ATOM 1441 CE MET A 624 1.637 5.056 6.830 1.00 0.00 C ATOM 0 H MET A 624 -1.349 8.690 3.397 1.00 0.00 H new ATOM 0 HA MET A 624 -2.454 6.257 3.970 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.086 6.805 3.262 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.257 7.258 4.920 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.665 4.837 5.464 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.303 4.532 3.777 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.639 4.923 7.239 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.263 6.044 7.100 1.00 0.00 H new ATOM 0 HE3 MET A 624 0.974 4.293 7.238 1.00 0.00 H new ATOM 1451 N ARG A 625 -2.012 8.027 6.681 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.310 8.095 8.106 1.00 0.00 C ATOM 1453 C ARG A 625 -3.813 8.004 8.353 1.00 0.00 C ATOM 1454 O ARG A 625 -4.268 7.215 9.180 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.762 9.394 8.703 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.784 9.422 10.222 1.00 0.00 C ATOM 1457 CD ARG A 625 -0.593 8.684 10.812 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.654 8.623 12.270 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.245 9.605 13.064 1.00 0.00 C ATOM 1460 NH1 ARG A 625 0.250 10.720 12.545 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.333 9.476 14.381 1.00 0.00 N ATOM 0 H ARG A 625 -1.669 8.900 6.280 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.827 7.247 8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.737 9.538 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.346 10.233 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.780 10.456 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -2.708 8.969 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -0.557 7.672 10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 625 0.328 9.181 10.508 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.032 7.780 12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 625 0.317 10.825 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 625 0.563 11.473 13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -0.715 8.621 14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.018 10.232 14.990 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.576 8.816 7.629 1.00 0.00 N ATOM 1476 CA GLU A 626 -6.027 8.827 7.771 1.00 0.00 C ATOM 1477 C GLU A 626 -6.615 7.454 7.456 1.00 0.00 C ATOM 1478 O GLU A 626 -7.656 7.076 7.993 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.644 9.882 6.851 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.542 11.298 7.393 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.224 12.315 6.499 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -8.439 12.544 6.677 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.541 12.884 5.621 1.00 0.00 O ATOM 0 H GLU A 626 -4.214 9.474 6.939 1.00 0.00 H new ATOM 0 HA GLU A 626 -6.263 9.075 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -6.151 9.838 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.694 9.640 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.989 11.336 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.491 11.565 7.505 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.942 6.716 6.581 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.396 5.387 6.195 1.00 0.00 C ATOM 1492 C ILE A 627 -6.175 4.381 7.320 1.00 0.00 C ATOM 1493 O ILE A 627 -6.939 3.428 7.473 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.673 4.890 4.928 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -5.824 5.909 3.796 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.218 3.534 4.504 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -4.997 5.579 2.574 1.00 0.00 C ATOM 0 H ILE A 627 -5.080 7.016 6.126 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.463 5.467 5.987 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.612 4.779 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -6.874 5.969 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.537 6.894 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.697 3.197 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.064 2.813 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.284 3.620 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.153 6.343 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -3.942 5.548 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.299 4.608 2.181 1.00 0.00 H new ATOM 1509 N GLU A 628 -5.125 4.601 8.105 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.805 3.714 9.217 1.00 0.00 C ATOM 1511 C GLU A 628 -5.824 3.862 10.342 1.00 0.00 C ATOM 1512 O GLU A 628 -6.292 2.872 10.906 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.400 4.010 9.746 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.830 2.901 10.614 1.00 0.00 C ATOM 1515 CD GLU A 628 -3.363 2.939 12.033 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -3.767 4.032 12.486 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -3.378 1.878 12.690 1.00 0.00 O ATOM 0 H GLU A 628 -4.482 5.385 7.992 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.840 2.688 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.731 4.179 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.425 4.935 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -3.067 1.936 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.743 2.984 10.636 1.00 0.00 H new ATOM 1524 N LYS A 629 -6.164 5.105 10.666 1.00 0.00 N ATOM 1525 CA LYS A 629 -7.129 5.385 11.722 1.00 0.00 C ATOM 1526 C LYS A 629 -8.507 4.841 11.359 1.00 0.00 C ATOM 1527 O LYS A 629 -9.222 4.316 12.212 1.00 0.00 O ATOM 1528 CB LYS A 629 -7.215 6.892 11.977 1.00 0.00 C ATOM 1529 CG LYS A 629 -7.790 7.675 10.810 1.00 0.00 C ATOM 1530 CD LYS A 629 -8.142 9.098 11.212 1.00 0.00 C ATOM 1531 CE LYS A 629 -8.731 9.877 10.045 1.00 0.00 C ATOM 1532 NZ LYS A 629 -10.128 9.456 9.747 1.00 0.00 N ATOM 0 H LYS A 629 -5.785 5.936 10.211 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.789 4.888 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -7.830 7.068 12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.218 7.271 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -7.068 7.695 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -8.681 7.171 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -8.856 9.079 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.249 9.606 11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -8.714 10.943 10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -8.111 9.731 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -10.506 10.033 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -10.137 8.453 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -10.718 9.588 10.593 1.00 0.00 H new