USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=14 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 :FLIP no HD1:sc= -0.917 F(o=-2,f=-0.92) USER MOD Set 1.2: A 587 GLN : amide:sc= 0 K(o=-0.92,f=-1.8) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot 1:sc= -1.09 USER MOD Single : A 549 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 550 ASN :FLIP amide:sc= -1.74! F(o=-2.7,f=-1.7!) 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+ -167:sc= 0 (180deg=-0.0788) 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=-0.56) USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 575 HIS :FLIP no HD1:sc= -1.63 F(o=-2.8,f=-1.6) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 593 LYS NZ :NH3+ 151:sc= -0.404 (180deg=-1.64!) USER MOD Single : A 594 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.073) USER MOD Single : A 600 LYS NZ :NH3+ 152:sc= -0.414 (180deg=-1.62!) USER MOD Single : A 601 SER OG : rot -54:sc= 0.672 USER MOD Single : A 605 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-5.9!) USER MOD Single : A 607 LYS NZ :NH3+ -139:sc= -0.134 (180deg=-0.54) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -3.94! C(o=-3.9!,f=-7.5!) 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 USER MOD Single : A 624 MET CE :methyl -163:sc= -0.0142 (180deg=-0.311) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.490 15.049 -1.260 1.00 0.00 N ATOM 142 CA ALA A 542 4.973 14.124 -2.278 1.00 0.00 C ATOM 143 C ALA A 542 4.331 12.750 -2.119 1.00 0.00 C ATOM 144 O ALA A 542 3.862 12.393 -1.038 1.00 0.00 O ATOM 145 CB ALA A 542 6.489 14.013 -2.213 1.00 0.00 C ATOM 0 HA ALA A 542 4.691 14.516 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.836 13.319 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.933 14.994 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.785 13.647 -1.230 1.00 0.00 H new ATOM 151 N LYS A 543 4.314 11.981 -3.203 1.00 0.00 N ATOM 152 CA LYS A 543 3.731 10.645 -3.185 1.00 0.00 C ATOM 153 C LYS A 543 4.780 9.599 -2.816 1.00 0.00 C ATOM 154 O LYS A 543 5.576 9.182 -3.657 1.00 0.00 O ATOM 155 CB LYS A 543 3.122 10.314 -4.549 1.00 0.00 C ATOM 156 CG LYS A 543 1.720 10.866 -4.740 1.00 0.00 C ATOM 157 CD LYS A 543 1.352 10.958 -6.211 1.00 0.00 C ATOM 158 CE LYS A 543 0.057 11.727 -6.415 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.068 12.245 -7.806 1.00 0.00 N ATOM 0 H LYS A 543 4.698 12.261 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 543 2.945 10.628 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.769 10.710 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.097 9.231 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 543 1.003 10.227 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.652 11.854 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 543 2.157 11.448 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.250 9.955 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.790 11.078 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 543 0.014 12.559 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -0.964 12.763 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.726 12.885 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.053 11.449 -8.475 1.00 0.00 H new ATOM 173 N VAL A 544 4.771 9.180 -1.555 1.00 0.00 N ATOM 174 CA VAL A 544 5.720 8.181 -1.077 1.00 0.00 C ATOM 175 C VAL A 544 5.013 7.091 -0.278 1.00 0.00 C ATOM 176 O VAL A 544 5.533 6.610 0.730 1.00 0.00 O ATOM 177 CB VAL A 544 6.811 8.820 -0.198 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.627 9.820 -1.002 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.193 9.482 1.024 1.00 0.00 C ATOM 0 H VAL A 544 4.118 9.516 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 544 6.186 7.739 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 544 7.482 8.033 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.393 10.261 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.102 9.311 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.972 10.605 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.979 9.928 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.497 10.258 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.659 8.735 1.611 1.00 0.00 H new ATOM 189 N CYS A 545 3.827 6.706 -0.735 1.00 0.00 N ATOM 190 CA CYS A 545 3.048 5.672 -0.063 1.00 0.00 C ATOM 191 C CYS A 545 2.179 4.912 -1.060 1.00 0.00 C ATOM 192 O CYS A 545 1.761 5.461 -2.079 1.00 0.00 O ATOM 193 CB CYS A 545 2.173 6.291 1.027 1.00 0.00 C ATOM 194 SG CYS A 545 3.103 7.022 2.395 1.00 0.00 S ATOM 0 H CYS A 545 3.384 7.094 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 545 3.743 4.968 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.543 7.059 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.508 5.524 1.423 1.00 0.00 H new ATOM 0 HG CYS A 545 4.377 6.902 2.167 1.00 0.00 H new ATOM 200 N ALA A 546 1.912 3.646 -0.760 1.00 0.00 N ATOM 201 CA ALA A 546 1.093 2.810 -1.629 1.00 0.00 C ATOM 202 C ALA A 546 0.178 1.902 -0.814 1.00 0.00 C ATOM 203 O ALA A 546 0.626 1.212 0.101 1.00 0.00 O ATOM 204 CB ALA A 546 1.975 1.982 -2.551 1.00 0.00 C ATOM 0 H ALA A 546 2.251 3.176 0.079 1.00 0.00 H new ATOM 0 HA ALA A 546 0.467 3.465 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.349 1.363 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.582 2.646 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.626 1.343 -1.955 1.00 0.00 H new ATOM 210 N HIS A 547 -1.108 1.908 -1.152 1.00 0.00 N ATOM 211 CA HIS A 547 -2.087 1.085 -0.452 1.00 0.00 C ATOM 212 C HIS A 547 -2.414 -0.171 -1.254 1.00 0.00 C ATOM 213 O HIS A 547 -2.822 -0.090 -2.413 1.00 0.00 O ATOM 214 CB HIS A 547 -3.364 1.884 -0.191 1.00 0.00 C ATOM 215 CG HIS A 547 -4.352 1.168 0.677 1.00 0.00 C ATOM 216 ND1 HIS A 547 -4.172 0.416 1.789 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.710 1.176 0.438 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.412 -0.010 2.198 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.323 0.463 1.365 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.496 2.474 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.655 0.784 0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -3.100 2.832 0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.836 2.121 -1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -6.197 1.686 -0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.610 -0.630 3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -7.329 0.304 1.428 1.00 0.00 H new ATOM 227 N ILE A 548 -2.232 -1.330 -0.630 1.00 0.00 N ATOM 228 CA ILE A 548 -2.508 -2.601 -1.286 1.00 0.00 C ATOM 229 C ILE A 548 -3.858 -3.163 -0.852 1.00 0.00 C ATOM 230 O ILE A 548 -4.077 -3.441 0.328 1.00 0.00 O ATOM 231 CB ILE A 548 -1.412 -3.641 -0.985 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.026 -3.024 -1.187 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.587 -4.867 -1.868 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.082 -3.792 -0.500 1.00 0.00 C ATOM 0 H ILE A 548 -1.895 -1.414 0.329 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.526 -2.404 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.503 -3.953 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.187 -2.971 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 548 -0.034 -2.000 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.805 -5.592 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.563 -5.315 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.519 -4.574 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.036 -3.298 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 548 0.892 -3.823 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.117 -4.809 -0.892 1.00 0.00 H new ATOM 246 N THR A 549 -4.761 -3.330 -1.813 1.00 0.00 N ATOM 247 CA THR A 549 -6.089 -3.858 -1.532 1.00 0.00 C ATOM 248 C THR A 549 -6.377 -5.098 -2.371 1.00 0.00 C ATOM 249 O THR A 549 -5.565 -5.498 -3.203 1.00 0.00 O ATOM 250 CB THR A 549 -7.181 -2.805 -1.797 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.208 -2.468 -3.189 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.937 -1.552 -0.971 1.00 0.00 C ATOM 0 H THR A 549 -4.596 -3.107 -2.794 1.00 0.00 H new ATOM 0 HA THR A 549 -6.105 -4.127 -0.476 1.00 0.00 H new ATOM 0 HB THR A 549 -8.142 -3.229 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.906 -1.799 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.721 -0.823 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.946 -1.807 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.969 -1.126 -1.233 1.00 0.00 H new ATOM 260 N ASN A 550 -7.541 -5.699 -2.149 1.00 0.00 N ATOM 261 CA ASN A 550 -7.938 -6.894 -2.887 1.00 0.00 C ATOM 262 C ASN A 550 -7.009 -8.061 -2.569 1.00 0.00 C ATOM 263 O ASN A 550 -6.792 -8.939 -3.405 1.00 0.00 O ATOM 264 CB ASN A 550 -7.931 -6.615 -4.391 1.00 0.00 C ATOM 265 CG ASN A 550 -8.811 -7.579 -5.161 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.800 -7.043 -5.868 1.00 0.00 O flip ATOM 267 ND2 ASN A 550 -8.605 -8.792 -5.121 1.00 0.00 N flip ATOM 0 H ASN A 550 -8.226 -5.379 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.949 -7.163 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.271 -5.595 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.909 -6.681 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -7.833 -9.160 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.206 -9.429 -5.644 1.00 0.00 H new ATOM 274 N ILE A 551 -6.462 -8.064 -1.358 1.00 0.00 N ATOM 275 CA ILE A 551 -5.558 -9.125 -0.931 1.00 0.00 C ATOM 276 C ILE A 551 -6.247 -10.076 0.041 1.00 0.00 C ATOM 277 O ILE A 551 -7.185 -9.708 0.748 1.00 0.00 O ATOM 278 CB ILE A 551 -4.294 -8.552 -0.263 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.677 -7.565 0.841 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.407 -7.878 -1.299 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.519 -7.178 1.734 1.00 0.00 C ATOM 0 H ILE A 551 -6.629 -7.344 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.268 -9.673 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.735 -9.372 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -5.090 -6.665 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.466 -8.004 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.518 -7.478 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.111 -8.607 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.956 -7.066 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.864 -6.476 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -3.119 -8.069 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.738 -6.709 1.135 1.00 0.00 H new ATOM 293 N PRO A 552 -5.770 -11.329 0.081 1.00 0.00 N ATOM 294 CA PRO A 552 -6.324 -12.359 0.965 1.00 0.00 C ATOM 295 C PRO A 552 -5.901 -12.165 2.417 1.00 0.00 C ATOM 296 O PRO A 552 -4.755 -11.815 2.700 1.00 0.00 O ATOM 297 CB PRO A 552 -5.737 -13.658 0.407 1.00 0.00 C ATOM 298 CG PRO A 552 -4.455 -13.251 -0.234 1.00 0.00 C ATOM 299 CD PRO A 552 -4.654 -11.837 -0.734 1.00 0.00 C ATOM 0 HA PRO A 552 -7.414 -12.339 0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.569 -14.388 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.411 -14.119 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.633 -13.298 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.202 -13.921 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.755 -11.235 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.894 -11.819 -1.797 1.00 0.00 H new ATOM 307 N PHE A 553 -6.835 -12.393 3.336 1.00 0.00 N ATOM 308 CA PHE A 553 -6.559 -12.242 4.760 1.00 0.00 C ATOM 309 C PHE A 553 -5.909 -13.502 5.324 1.00 0.00 C ATOM 310 O PHE A 553 -6.173 -13.894 6.461 1.00 0.00 O ATOM 311 CB PHE A 553 -7.851 -11.936 5.521 1.00 0.00 C ATOM 312 CG PHE A 553 -9.016 -12.779 5.088 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.768 -12.427 3.980 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.358 -13.923 5.791 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.842 -13.201 3.580 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.430 -14.701 5.395 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.173 -14.340 4.288 1.00 0.00 C ATOM 0 H PHE A 553 -7.789 -12.683 3.120 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.866 -11.410 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.680 -12.087 6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.103 -10.884 5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.513 -11.538 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -8.781 -14.210 6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -11.422 -12.915 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -10.686 -15.591 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.011 -14.947 3.977 1.00 0.00 H new ATOM 327 N SER A 554 -5.058 -14.133 4.521 1.00 0.00 N ATOM 328 CA SER A 554 -4.374 -15.351 4.938 1.00 0.00 C ATOM 329 C SER A 554 -2.867 -15.127 5.016 1.00 0.00 C ATOM 330 O SER A 554 -2.179 -15.736 5.837 1.00 0.00 O ATOM 331 CB SER A 554 -4.681 -16.492 3.967 1.00 0.00 C ATOM 332 OG SER A 554 -4.067 -17.698 4.385 1.00 0.00 O ATOM 0 H SER A 554 -4.826 -13.821 3.578 1.00 0.00 H new ATOM 0 HA SER A 554 -4.737 -15.620 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 554 -5.759 -16.634 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.330 -16.229 2.969 1.00 0.00 H new ATOM 0 HG SER A 554 -4.280 -18.412 3.748 1.00 0.00 H new ATOM 338 N ILE A 555 -2.360 -14.248 4.157 1.00 0.00 N ATOM 339 CA ILE A 555 -0.935 -13.943 4.130 1.00 0.00 C ATOM 340 C ILE A 555 -0.531 -13.093 5.330 1.00 0.00 C ATOM 341 O ILE A 555 -1.383 -12.574 6.052 1.00 0.00 O ATOM 342 CB ILE A 555 -0.542 -13.205 2.837 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.044 -11.760 2.877 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.100 -13.930 1.621 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.534 -10.910 1.734 1.00 0.00 C ATOM 0 H ILE A 555 -2.915 -13.735 3.471 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.408 -14.896 4.170 1.00 0.00 H new ATOM 0 HB ILE A 555 0.545 -13.192 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.134 -11.762 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.742 -11.305 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.813 -13.395 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.700 -14.943 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.187 -13.971 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.930 -9.899 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.555 -10.877 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.859 -11.341 0.787 1.00 0.00 H new ATOM 357 N THR A 556 0.775 -12.955 5.538 1.00 0.00 N ATOM 358 CA THR A 556 1.292 -12.167 6.650 1.00 0.00 C ATOM 359 C THR A 556 2.265 -11.100 6.162 1.00 0.00 C ATOM 360 O THR A 556 2.609 -11.051 4.980 1.00 0.00 O ATOM 361 CB THR A 556 2.002 -13.058 7.686 1.00 0.00 C ATOM 362 OG1 THR A 556 3.115 -13.724 7.080 1.00 0.00 O ATOM 363 CG2 THR A 556 1.041 -14.087 8.264 1.00 0.00 C ATOM 0 H THR A 556 1.494 -13.379 4.951 1.00 0.00 H new ATOM 0 HA THR A 556 0.436 -11.685 7.122 1.00 0.00 H new ATOM 0 HB THR A 556 2.358 -12.422 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.562 -14.287 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.565 -14.705 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.211 -13.576 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.658 -14.718 7.462 1.00 0.00 H new ATOM 371 N LYS A 557 2.709 -10.248 7.079 1.00 0.00 N ATOM 372 CA LYS A 557 3.645 -9.182 6.743 1.00 0.00 C ATOM 373 C LYS A 557 4.779 -9.707 5.868 1.00 0.00 C ATOM 374 O LYS A 557 5.142 -9.089 4.869 1.00 0.00 O ATOM 375 CB LYS A 557 4.220 -8.558 8.018 1.00 0.00 C ATOM 376 CG LYS A 557 4.750 -7.149 7.821 1.00 0.00 C ATOM 377 CD LYS A 557 4.659 -6.335 9.101 1.00 0.00 C ATOM 378 CE LYS A 557 5.855 -6.583 10.006 1.00 0.00 C ATOM 379 NZ LYS A 557 5.634 -7.746 10.910 1.00 0.00 N ATOM 0 H LYS A 557 2.436 -10.275 8.061 1.00 0.00 H new ATOM 0 HA LYS A 557 3.101 -8.420 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.446 -8.542 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 557 5.025 -9.191 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.787 -7.193 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.184 -6.653 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.601 -5.275 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.741 -6.590 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.741 -6.760 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.051 -5.692 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.362 -7.752 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.693 -7.672 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.692 -8.628 10.362 1.00 0.00 H new ATOM 393 N MET A 558 5.331 -10.855 6.249 1.00 0.00 N ATOM 394 CA MET A 558 6.420 -11.466 5.497 1.00 0.00 C ATOM 395 C MET A 558 6.061 -11.582 4.019 1.00 0.00 C ATOM 396 O MET A 558 6.850 -11.216 3.148 1.00 0.00 O ATOM 397 CB MET A 558 6.749 -12.847 6.064 1.00 0.00 C ATOM 398 CG MET A 558 8.121 -13.361 5.658 1.00 0.00 C ATOM 399 SD MET A 558 9.462 -12.517 6.519 1.00 0.00 S ATOM 400 CE MET A 558 10.525 -12.081 5.147 1.00 0.00 C ATOM 0 H MET A 558 5.042 -11.380 7.074 1.00 0.00 H new ATOM 0 HA MET A 558 7.297 -10.826 5.591 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.693 -12.807 7.152 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.991 -13.557 5.732 1.00 0.00 H new ATOM 0 HG2 MET A 558 8.179 -14.430 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.248 -13.235 4.583 1.00 0.00 H new ATOM 0 HE1 MET A 558 11.401 -11.551 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.842 -12.987 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.980 -11.439 4.454 1.00 0.00 H new ATOM 410 N ASP A 559 4.867 -12.095 3.744 1.00 0.00 N ATOM 411 CA ASP A 559 4.404 -12.261 2.370 1.00 0.00 C ATOM 412 C ASP A 559 4.453 -10.934 1.618 1.00 0.00 C ATOM 413 O ASP A 559 5.080 -10.829 0.563 1.00 0.00 O ATOM 414 CB ASP A 559 2.980 -12.819 2.353 1.00 0.00 C ATOM 415 CG ASP A 559 2.948 -14.325 2.524 1.00 0.00 C ATOM 416 OD1 ASP A 559 2.896 -14.791 3.681 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.973 -15.037 1.498 1.00 0.00 O ATOM 0 H ASP A 559 4.202 -12.403 4.453 1.00 0.00 H new ATOM 0 HA ASP A 559 5.068 -12.967 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.400 -12.353 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.499 -12.553 1.412 1.00 0.00 H new ATOM 422 N VAL A 560 3.785 -9.924 2.167 1.00 0.00 N ATOM 423 CA VAL A 560 3.752 -8.604 1.547 1.00 0.00 C ATOM 424 C VAL A 560 5.155 -8.134 1.178 1.00 0.00 C ATOM 425 O VAL A 560 5.403 -7.714 0.048 1.00 0.00 O ATOM 426 CB VAL A 560 3.103 -7.563 2.480 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.031 -6.206 1.797 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.721 -8.025 2.912 1.00 0.00 C ATOM 0 H VAL A 560 3.260 -9.994 3.039 1.00 0.00 H new ATOM 0 HA VAL A 560 3.153 -8.694 0.641 1.00 0.00 H new ATOM 0 HB VAL A 560 3.723 -7.462 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.570 -5.484 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.037 -5.873 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.434 -6.287 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.277 -7.278 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.090 -8.155 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.804 -8.973 3.443 1.00 0.00 H new ATOM 438 N LEU A 561 6.069 -8.210 2.139 1.00 0.00 N ATOM 439 CA LEU A 561 7.449 -7.793 1.915 1.00 0.00 C ATOM 440 C LEU A 561 8.089 -8.606 0.795 1.00 0.00 C ATOM 441 O LEU A 561 8.959 -8.113 0.076 1.00 0.00 O ATOM 442 CB LEU A 561 8.265 -7.946 3.201 1.00 0.00 C ATOM 443 CG LEU A 561 7.726 -7.212 4.429 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.454 -7.665 5.684 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.854 -5.706 4.249 1.00 0.00 C ATOM 0 H LEU A 561 5.880 -8.556 3.080 1.00 0.00 H new ATOM 0 HA LEU A 561 7.441 -6.744 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.335 -9.007 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.279 -7.595 3.008 1.00 0.00 H new ATOM 0 HG LEU A 561 6.669 -7.456 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.057 -7.132 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.310 -8.737 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.518 -7.452 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.465 -5.200 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.903 -5.444 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.285 -5.395 3.373 1.00 0.00 H new ATOM 457 N GLN A 562 7.650 -9.852 0.649 1.00 0.00 N ATOM 458 CA GLN A 562 8.179 -10.732 -0.385 1.00 0.00 C ATOM 459 C GLN A 562 7.639 -10.344 -1.758 1.00 0.00 C ATOM 460 O GLN A 562 8.391 -10.252 -2.729 1.00 0.00 O ATOM 461 CB GLN A 562 7.824 -12.187 -0.078 1.00 0.00 C ATOM 462 CG GLN A 562 8.876 -12.908 0.749 1.00 0.00 C ATOM 463 CD GLN A 562 8.365 -14.208 1.340 1.00 0.00 C ATOM 464 OE1 GLN A 562 7.371 -14.766 0.875 1.00 0.00 O ATOM 465 NE2 GLN A 562 9.044 -14.698 2.370 1.00 0.00 N ATOM 0 H GLN A 562 6.929 -10.274 1.234 1.00 0.00 H new ATOM 0 HA GLN A 562 9.264 -10.625 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 562 6.873 -12.216 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 562 7.681 -12.723 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 562 9.745 -13.114 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.210 -12.254 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.863 -14.202 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 562 8.747 -15.570 2.808 1.00 0.00 H new ATOM 474 N PHE A 563 6.332 -10.117 -1.832 1.00 0.00 N ATOM 475 CA PHE A 563 5.691 -9.741 -3.086 1.00 0.00 C ATOM 476 C PHE A 563 6.282 -8.444 -3.632 1.00 0.00 C ATOM 477 O PHE A 563 6.298 -8.217 -4.842 1.00 0.00 O ATOM 478 CB PHE A 563 4.182 -9.581 -2.885 1.00 0.00 C ATOM 479 CG PHE A 563 3.503 -8.848 -4.006 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.045 -9.530 -5.121 1.00 0.00 C ATOM 481 CD2 PHE A 563 3.321 -7.476 -3.943 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.418 -8.858 -6.154 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.694 -6.799 -4.973 1.00 0.00 C ATOM 484 CZ PHE A 563 2.244 -7.490 -6.080 1.00 0.00 C ATOM 0 H PHE A 563 5.696 -10.187 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 563 5.872 -10.536 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.731 -10.568 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 563 4.002 -9.048 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.179 -10.600 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.673 -6.929 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.065 -9.402 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 563 2.556 -5.730 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.757 -6.962 -6.886 1.00 0.00 H new ATOM 494 N LEU A 564 6.767 -7.597 -2.730 1.00 0.00 N ATOM 495 CA LEU A 564 7.360 -6.322 -3.120 1.00 0.00 C ATOM 496 C LEU A 564 8.866 -6.459 -3.315 1.00 0.00 C ATOM 497 O LEU A 564 9.605 -5.479 -3.220 1.00 0.00 O ATOM 498 CB LEU A 564 7.066 -5.257 -2.062 1.00 0.00 C ATOM 499 CG LEU A 564 5.621 -4.760 -1.993 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.384 -3.985 -0.706 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.295 -3.899 -3.204 1.00 0.00 C ATOM 0 H LEU A 564 6.761 -7.770 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 564 6.916 -6.017 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.338 -5.658 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.715 -4.401 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 564 4.959 -5.626 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.351 -3.639 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.576 -4.633 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.055 -3.127 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.263 -3.554 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.964 -3.039 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.424 -4.486 -4.113 1.00 0.00 H new ATOM 513 N GLU A 565 9.314 -7.680 -3.591 1.00 0.00 N ATOM 514 CA GLU A 565 10.732 -7.944 -3.800 1.00 0.00 C ATOM 515 C GLU A 565 11.316 -6.988 -4.836 1.00 0.00 C ATOM 516 O GLU A 565 10.621 -6.548 -5.752 1.00 0.00 O ATOM 517 CB GLU A 565 10.943 -9.391 -4.250 1.00 0.00 C ATOM 518 CG GLU A 565 12.365 -9.689 -4.695 1.00 0.00 C ATOM 519 CD GLU A 565 13.300 -9.945 -3.530 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.846 -10.527 -2.522 1.00 0.00 O ATOM 521 OE2 GLU A 565 14.485 -9.565 -3.624 1.00 0.00 O ATOM 0 H GLU A 565 8.715 -8.501 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 565 11.248 -7.786 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.680 -10.060 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.261 -9.610 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.361 -10.560 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.742 -8.850 -5.281 1.00 0.00 H new ATOM 528 N GLY A 566 12.597 -6.670 -4.684 1.00 0.00 N ATOM 529 CA GLY A 566 13.253 -5.767 -5.614 1.00 0.00 C ATOM 530 C GLY A 566 13.267 -4.335 -5.118 1.00 0.00 C ATOM 531 O GLY A 566 14.224 -3.598 -5.356 1.00 0.00 O ATOM 0 H GLY A 566 13.193 -7.021 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.277 -6.101 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.745 -5.810 -6.577 1.00 0.00 H new ATOM 535 N ILE A 567 12.202 -3.940 -4.428 1.00 0.00 N ATOM 536 CA ILE A 567 12.096 -2.585 -3.899 1.00 0.00 C ATOM 537 C ILE A 567 12.662 -2.501 -2.486 1.00 0.00 C ATOM 538 O ILE A 567 12.275 -3.251 -1.589 1.00 0.00 O ATOM 539 CB ILE A 567 10.634 -2.100 -3.884 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.134 -1.876 -5.312 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.508 -0.825 -3.065 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.638 -1.663 -5.402 1.00 0.00 C ATOM 0 H ILE A 567 11.401 -4.538 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 567 12.677 -1.942 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 567 10.016 -2.868 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.642 -1.009 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.408 -2.736 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.469 -0.495 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.829 -1.017 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.135 -0.048 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.354 -1.511 -6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.122 -2.539 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.360 -0.786 -4.818 1.00 0.00 H new ATOM 554 N PRO A 568 13.600 -1.565 -2.279 1.00 0.00 N ATOM 555 CA PRO A 568 14.238 -1.359 -0.976 1.00 0.00 C ATOM 556 C PRO A 568 13.326 -0.636 0.009 1.00 0.00 C ATOM 557 O PRO A 568 13.054 0.556 -0.141 1.00 0.00 O ATOM 558 CB PRO A 568 15.456 -0.493 -1.311 1.00 0.00 C ATOM 559 CG PRO A 568 15.064 0.254 -2.538 1.00 0.00 C ATOM 560 CD PRO A 568 14.110 -0.636 -3.302 1.00 0.00 C ATOM 0 HA PRO A 568 14.488 -2.303 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.695 0.187 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.341 -1.105 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.588 1.200 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 568 15.939 0.492 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.304 -0.061 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.617 -1.167 -4.108 1.00 0.00 H new ATOM 568 N VAL A 569 12.856 -1.364 1.017 1.00 0.00 N ATOM 569 CA VAL A 569 11.974 -0.791 2.027 1.00 0.00 C ATOM 570 C VAL A 569 12.067 -1.563 3.338 1.00 0.00 C ATOM 571 O VAL A 569 12.203 -2.787 3.341 1.00 0.00 O ATOM 572 CB VAL A 569 10.509 -0.779 1.553 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.994 -2.199 1.376 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.639 -0.005 2.531 1.00 0.00 C ATOM 0 H VAL A 569 13.071 -2.351 1.156 1.00 0.00 H new ATOM 0 HA VAL A 569 12.303 0.236 2.189 1.00 0.00 H new ATOM 0 HB VAL A 569 10.462 -0.278 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.957 -2.171 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.602 -2.716 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.054 -2.729 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.607 -0.007 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.689 -0.475 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 569 9.996 1.022 2.602 1.00 0.00 H new ATOM 584 N ASP A 570 11.991 -0.840 4.451 1.00 0.00 N ATOM 585 CA ASP A 570 12.065 -1.459 5.769 1.00 0.00 C ATOM 586 C ASP A 570 10.839 -2.327 6.032 1.00 0.00 C ATOM 587 O ASP A 570 9.824 -2.208 5.345 1.00 0.00 O ATOM 588 CB ASP A 570 12.186 -0.385 6.852 1.00 0.00 C ATOM 589 CG ASP A 570 13.594 0.165 6.968 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.283 0.256 5.930 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.007 0.503 8.096 1.00 0.00 O ATOM 0 H ASP A 570 11.878 0.174 4.466 1.00 0.00 H new ATOM 0 HA ASP A 570 12.950 -2.095 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.498 0.430 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.883 -0.805 7.811 1.00 0.00 H new ATOM 596 N GLU A 571 10.940 -3.200 7.029 1.00 0.00 N ATOM 597 CA GLU A 571 9.840 -4.090 7.379 1.00 0.00 C ATOM 598 C GLU A 571 8.714 -3.319 8.064 1.00 0.00 C ATOM 599 O GLU A 571 7.540 -3.659 7.924 1.00 0.00 O ATOM 600 CB GLU A 571 10.334 -5.213 8.294 1.00 0.00 C ATOM 601 CG GLU A 571 11.606 -5.883 7.802 1.00 0.00 C ATOM 602 CD GLU A 571 11.946 -7.136 8.585 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.485 -7.007 9.705 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.672 -8.245 8.080 1.00 0.00 O ATOM 0 H GLU A 571 11.772 -3.310 7.608 1.00 0.00 H new ATOM 0 HA GLU A 571 9.452 -4.526 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.509 -4.808 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.550 -5.965 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 571 11.494 -6.137 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 571 12.434 -5.178 7.874 1.00 0.00 H new ATOM 611 N ASN A 572 9.083 -2.281 8.807 1.00 0.00 N ATOM 612 CA ASN A 572 8.106 -1.463 9.516 1.00 0.00 C ATOM 613 C ASN A 572 7.313 -0.597 8.541 1.00 0.00 C ATOM 614 O ASN A 572 6.136 -0.314 8.763 1.00 0.00 O ATOM 615 CB ASN A 572 8.804 -0.576 10.549 1.00 0.00 C ATOM 616 CG ASN A 572 7.838 0.342 11.271 1.00 0.00 C ATOM 617 OD1 ASN A 572 6.802 -0.097 11.770 1.00 0.00 O ATOM 618 ND2 ASN A 572 8.173 1.626 11.330 1.00 0.00 N ATOM 0 H ASN A 572 10.051 -1.986 8.934 1.00 0.00 H new ATOM 0 HA ASN A 572 7.414 -2.131 10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.316 -1.205 11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.568 0.023 10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 572 7.561 2.291 11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 572 9.042 1.947 10.902 1.00 0.00 H new ATOM 625 N ALA A 573 7.965 -0.181 7.461 1.00 0.00 N ATOM 626 CA ALA A 573 7.320 0.650 6.452 1.00 0.00 C ATOM 627 C ALA A 573 5.986 0.051 6.019 1.00 0.00 C ATOM 628 O ALA A 573 5.094 0.765 5.560 1.00 0.00 O ATOM 629 CB ALA A 573 8.236 0.825 5.249 1.00 0.00 C ATOM 0 H ALA A 573 8.940 -0.406 7.262 1.00 0.00 H new ATOM 0 HA ALA A 573 7.124 1.628 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.742 1.448 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.163 1.303 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.460 -0.150 4.817 1.00 0.00 H new ATOM 635 N VAL A 574 5.856 -1.263 6.168 1.00 0.00 N ATOM 636 CA VAL A 574 4.629 -1.957 5.794 1.00 0.00 C ATOM 637 C VAL A 574 3.745 -2.206 7.011 1.00 0.00 C ATOM 638 O VAL A 574 4.149 -2.885 7.956 1.00 0.00 O ATOM 639 CB VAL A 574 4.933 -3.302 5.110 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.642 -4.014 4.734 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.810 -3.091 3.885 1.00 0.00 C ATOM 0 H VAL A 574 6.585 -1.869 6.545 1.00 0.00 H new ATOM 0 HA VAL A 574 4.101 -1.311 5.092 1.00 0.00 H new ATOM 0 HB VAL A 574 5.476 -3.932 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.877 -4.963 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.054 -4.200 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.069 -3.390 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 574 6.015 -4.052 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.295 -2.442 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.749 -2.627 4.186 1.00 0.00 H new ATOM 651 N HIS A 575 2.537 -1.653 6.981 1.00 0.00 N ATOM 652 CA HIS A 575 1.594 -1.816 8.082 1.00 0.00 C ATOM 653 C HIS A 575 0.384 -2.634 7.644 1.00 0.00 C ATOM 654 O HIS A 575 -0.457 -2.160 6.880 1.00 0.00 O ATOM 655 CB HIS A 575 1.141 -0.451 8.600 1.00 0.00 C ATOM 656 CG HIS A 575 2.261 0.391 9.130 1.00 0.00 C ATOM 657 ND1 HIS A 575 3.529 0.557 8.688 1.00 0.00 N flip ATOM 658 CD2 HIS A 575 2.139 1.188 10.249 1.00 0.00 C flip ATOM 659 CE1 HIS A 575 4.145 1.442 9.538 1.00 0.00 C flip ATOM 660 NE2 HIS A 575 3.284 1.808 10.471 1.00 0.00 N flip ATOM 0 H HIS A 575 2.188 -1.088 6.207 1.00 0.00 H new ATOM 0 HA HIS A 575 2.101 -2.351 8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.643 0.087 7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.403 -0.598 9.389 1.00 0.00 H new ATOM 0 HD2 HIS A 575 1.247 1.289 10.850 1.00 0.00 H new ATOM 0 HE1 HIS A 575 5.166 1.783 9.457 1.00 0.00 H new ATOM 0 HE2 HIS A 575 3.472 2.459 11.233 1.00 0.00 H new ATOM 668 N VAL A 576 0.302 -3.869 8.132 1.00 0.00 N ATOM 669 CA VAL A 576 -0.805 -4.753 7.790 1.00 0.00 C ATOM 670 C VAL A 576 -2.013 -4.493 8.684 1.00 0.00 C ATOM 671 O VAL A 576 -1.891 -4.428 9.908 1.00 0.00 O ATOM 672 CB VAL A 576 -0.399 -6.235 7.915 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.571 -7.140 7.566 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.799 -6.533 7.028 1.00 0.00 C ATOM 0 H VAL A 576 0.989 -4.279 8.765 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.070 -4.541 6.754 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.115 -6.432 8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.266 -8.182 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.399 -6.942 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.888 -6.945 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.073 -7.583 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.544 -6.321 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.640 -5.908 7.330 1.00 0.00 H new ATOM 684 N LEU A 577 -3.179 -4.342 8.065 1.00 0.00 N ATOM 685 CA LEU A 577 -4.410 -4.088 8.804 1.00 0.00 C ATOM 686 C LEU A 577 -4.924 -5.366 9.460 1.00 0.00 C ATOM 687 O LEU A 577 -4.645 -6.471 8.996 1.00 0.00 O ATOM 688 CB LEU A 577 -5.479 -3.515 7.871 1.00 0.00 C ATOM 689 CG LEU A 577 -5.202 -2.119 7.311 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.208 -1.771 6.225 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.235 -1.082 8.425 1.00 0.00 C ATOM 0 H LEU A 577 -3.297 -4.391 7.053 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.192 -3.361 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.608 -4.201 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.426 -3.487 8.410 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.206 -2.116 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -5.996 -0.774 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.136 -2.497 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.215 -1.791 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.036 -0.094 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.218 -1.086 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.475 -1.322 9.168 1.00 0.00 H new ATOM 809 N GLY A 586 -7.996 -7.719 4.637 1.00 0.00 N ATOM 810 CA GLY A 586 -7.274 -7.906 3.392 1.00 0.00 C ATOM 811 C GLY A 586 -6.784 -6.598 2.805 1.00 0.00 C ATOM 812 O GLY A 586 -7.036 -6.303 1.637 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.423 -8.565 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.922 -8.404 2.671 1.00 0.00 H new ATOM 816 N GLN A 587 -6.083 -5.812 3.616 1.00 0.00 N ATOM 817 CA GLN A 587 -5.559 -4.527 3.170 1.00 0.00 C ATOM 818 C GLN A 587 -4.313 -4.142 3.961 1.00 0.00 C ATOM 819 O GLN A 587 -4.237 -4.375 5.166 1.00 0.00 O ATOM 820 CB GLN A 587 -6.625 -3.439 3.313 1.00 0.00 C ATOM 821 CG GLN A 587 -7.812 -3.623 2.380 1.00 0.00 C ATOM 822 CD GLN A 587 -8.907 -2.603 2.620 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.892 -1.513 2.046 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.865 -2.951 3.471 1.00 0.00 N ATOM 0 H GLN A 587 -5.865 -6.043 4.585 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.285 -4.621 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.982 -3.425 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.169 -2.468 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.472 -3.549 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.220 -4.625 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.838 -3.864 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.628 -2.305 3.672 1.00 0.00 H new ATOM 833 N ALA A 588 -3.341 -3.553 3.274 1.00 0.00 N ATOM 834 CA ALA A 588 -2.099 -3.134 3.913 1.00 0.00 C ATOM 835 C ALA A 588 -1.550 -1.867 3.268 1.00 0.00 C ATOM 836 O ALA A 588 -1.762 -1.621 2.080 1.00 0.00 O ATOM 837 CB ALA A 588 -1.070 -4.252 3.848 1.00 0.00 C ATOM 0 H ALA A 588 -3.389 -3.355 2.275 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.313 -2.913 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.148 -3.926 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.456 -5.132 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.868 -4.500 2.806 1.00 0.00 H new ATOM 843 N LEU A 589 -0.844 -1.065 4.058 1.00 0.00 N ATOM 844 CA LEU A 589 -0.264 0.179 3.563 1.00 0.00 C ATOM 845 C LEU A 589 1.259 0.101 3.548 1.00 0.00 C ATOM 846 O LEU A 589 1.869 -0.519 4.420 1.00 0.00 O ATOM 847 CB LEU A 589 -0.716 1.356 4.429 1.00 0.00 C ATOM 848 CG LEU A 589 -2.151 1.837 4.211 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.631 2.645 5.407 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.250 2.661 2.935 1.00 0.00 C ATOM 0 H LEU A 589 -0.659 -1.254 5.043 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.613 0.332 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.603 1.075 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 589 -0.042 2.194 4.249 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.794 0.963 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.654 2.979 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.599 2.024 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.985 3.512 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.278 2.995 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.594 3.528 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.949 2.051 2.084 1.00 0.00 H new ATOM 862 N VAL A 590 1.869 0.735 2.551 1.00 0.00 N ATOM 863 CA VAL A 590 3.321 0.740 2.423 1.00 0.00 C ATOM 864 C VAL A 590 3.858 2.162 2.300 1.00 0.00 C ATOM 865 O VAL A 590 3.413 2.932 1.448 1.00 0.00 O ATOM 866 CB VAL A 590 3.780 -0.076 1.200 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.293 -0.227 1.196 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.101 -1.438 1.183 1.00 0.00 C ATOM 0 H VAL A 590 1.380 1.252 1.820 1.00 0.00 H new ATOM 0 HA VAL A 590 3.719 0.281 3.328 1.00 0.00 H new ATOM 0 HB VAL A 590 3.490 0.461 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.599 -0.806 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.757 0.759 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.610 -0.742 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.437 -2.001 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.359 -1.984 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.020 -1.305 1.134 1.00 0.00 H new ATOM 878 N GLN A 591 4.814 2.504 3.157 1.00 0.00 N ATOM 879 CA GLN A 591 5.410 3.834 3.145 1.00 0.00 C ATOM 880 C GLN A 591 6.861 3.777 2.677 1.00 0.00 C ATOM 881 O GLN A 591 7.693 3.100 3.282 1.00 0.00 O ATOM 882 CB GLN A 591 5.336 4.464 4.537 1.00 0.00 C ATOM 883 CG GLN A 591 5.792 5.913 4.575 1.00 0.00 C ATOM 884 CD GLN A 591 6.322 6.322 5.935 1.00 0.00 C ATOM 885 OE1 GLN A 591 5.858 5.836 6.967 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.299 7.221 5.944 1.00 0.00 N ATOM 0 H GLN A 591 5.192 1.878 3.868 1.00 0.00 H new ATOM 0 HA GLN A 591 4.845 4.450 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.309 4.405 4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 591 5.950 3.881 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.569 6.065 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.957 6.560 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.654 7.598 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.695 7.535 6.830 1.00 0.00 H new ATOM 895 N PHE A 592 7.158 4.490 1.596 1.00 0.00 N ATOM 896 CA PHE A 592 8.509 4.519 1.046 1.00 0.00 C ATOM 897 C PHE A 592 9.206 5.833 1.386 1.00 0.00 C ATOM 898 O PHE A 592 8.563 6.811 1.767 1.00 0.00 O ATOM 899 CB PHE A 592 8.469 4.328 -0.472 1.00 0.00 C ATOM 900 CG PHE A 592 7.790 3.058 -0.898 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.402 1.829 -0.703 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.539 3.091 -1.494 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.780 0.659 -1.094 1.00 0.00 C ATOM 904 CE2 PHE A 592 5.913 1.923 -1.886 1.00 0.00 C ATOM 905 CZ PHE A 592 6.534 0.706 -1.688 1.00 0.00 C ATOM 0 H PHE A 592 6.482 5.056 1.083 1.00 0.00 H new ATOM 0 HA PHE A 592 9.074 3.701 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.953 5.176 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.488 4.333 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.377 1.786 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.048 4.040 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.268 -0.291 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 592 4.937 1.962 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.047 -0.207 -1.997 1.00 0.00 H new ATOM 915 N LYS A 593 10.528 5.847 1.247 1.00 0.00 N ATOM 916 CA LYS A 593 11.316 7.039 1.538 1.00 0.00 C ATOM 917 C LYS A 593 11.031 8.141 0.520 1.00 0.00 C ATOM 918 O LYS A 593 10.624 9.243 0.884 1.00 0.00 O ATOM 919 CB LYS A 593 12.808 6.701 1.537 1.00 0.00 C ATOM 920 CG LYS A 593 13.189 5.624 2.536 1.00 0.00 C ATOM 921 CD LYS A 593 13.188 6.157 3.959 1.00 0.00 C ATOM 922 CE LYS A 593 14.537 6.751 4.333 1.00 0.00 C ATOM 923 NZ LYS A 593 14.689 8.143 3.827 1.00 0.00 N ATOM 0 H LYS A 593 11.076 5.046 0.934 1.00 0.00 H new ATOM 0 HA LYS A 593 11.033 7.400 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.097 6.376 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.377 7.605 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.490 4.791 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.178 5.235 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.413 6.917 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 593 12.940 5.351 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.649 6.744 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.334 6.128 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.323 8.674 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.092 8.122 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 13.758 8.607 3.801 1.00 0.00 H new ATOM 937 N ASN A 594 11.248 7.832 -0.754 1.00 0.00 N ATOM 938 CA ASN A 594 11.014 8.797 -1.823 1.00 0.00 C ATOM 939 C ASN A 594 10.261 8.151 -2.982 1.00 0.00 C ATOM 940 O ASN A 594 9.909 6.973 -2.927 1.00 0.00 O ATOM 941 CB ASN A 594 12.343 9.371 -2.320 1.00 0.00 C ATOM 942 CG ASN A 594 13.201 9.906 -1.189 1.00 0.00 C ATOM 943 OD1 ASN A 594 14.337 9.473 -0.999 1.00 0.00 O ATOM 944 ND2 ASN A 594 12.658 10.852 -0.432 1.00 0.00 N ATOM 0 H ASN A 594 11.585 6.923 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 594 10.404 9.606 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.893 8.596 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.146 10.172 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 594 13.187 11.250 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 594 11.712 11.181 -0.627 1.00 0.00 H new ATOM 951 N GLU A 595 10.018 8.931 -4.031 1.00 0.00 N ATOM 952 CA GLU A 595 9.307 8.436 -5.203 1.00 0.00 C ATOM 953 C GLU A 595 10.118 7.358 -5.916 1.00 0.00 C ATOM 954 O GLU A 595 9.570 6.542 -6.658 1.00 0.00 O ATOM 955 CB GLU A 595 9.005 9.585 -6.168 1.00 0.00 C ATOM 956 CG GLU A 595 8.218 10.720 -5.536 1.00 0.00 C ATOM 957 CD GLU A 595 8.129 11.938 -6.433 1.00 0.00 C ATOM 958 OE1 GLU A 595 7.690 11.789 -7.593 1.00 0.00 O ATOM 959 OE2 GLU A 595 8.498 13.041 -5.976 1.00 0.00 O ATOM 0 H GLU A 595 10.303 9.908 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 595 8.367 7.997 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.944 9.978 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.446 9.196 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.212 10.373 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.687 11.001 -4.593 1.00 0.00 H new ATOM 966 N ASP A 596 11.426 7.361 -5.686 1.00 0.00 N ATOM 967 CA ASP A 596 12.314 6.383 -6.305 1.00 0.00 C ATOM 968 C ASP A 596 11.792 4.966 -6.095 1.00 0.00 C ATOM 969 O ASP A 596 11.893 4.119 -6.983 1.00 0.00 O ATOM 970 CB ASP A 596 13.726 6.511 -5.732 1.00 0.00 C ATOM 971 CG ASP A 596 14.282 7.914 -5.867 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.559 8.336 -7.010 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.440 8.592 -4.831 1.00 0.00 O ATOM 0 H ASP A 596 11.896 8.030 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 596 12.346 6.583 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.715 6.228 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.387 5.811 -6.243 1.00 0.00 H new ATOM 978 N ASP A 597 11.235 4.714 -4.916 1.00 0.00 N ATOM 979 CA ASP A 597 10.697 3.399 -4.589 1.00 0.00 C ATOM 980 C ASP A 597 9.207 3.326 -4.912 1.00 0.00 C ATOM 981 O ASP A 597 8.681 2.258 -5.222 1.00 0.00 O ATOM 982 CB ASP A 597 10.928 3.083 -3.111 1.00 0.00 C ATOM 983 CG ASP A 597 12.378 2.765 -2.807 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.086 2.293 -3.720 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.806 2.989 -1.655 1.00 0.00 O ATOM 0 H ASP A 597 11.144 5.404 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 597 11.218 2.659 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.611 3.933 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.305 2.237 -2.822 1.00 0.00 H new ATOM 990 N ALA A 598 8.533 4.469 -4.834 1.00 0.00 N ATOM 991 CA ALA A 598 7.106 4.535 -5.118 1.00 0.00 C ATOM 992 C ALA A 598 6.822 4.224 -6.585 1.00 0.00 C ATOM 993 O ALA A 598 6.035 3.330 -6.897 1.00 0.00 O ATOM 994 CB ALA A 598 6.557 5.907 -4.753 1.00 0.00 C ATOM 0 H ALA A 598 8.953 5.362 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 598 6.606 3.781 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.490 5.941 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.717 6.092 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 598 7.071 6.671 -5.336 1.00 0.00 H new ATOM 1000 N ARG A 599 7.469 4.966 -7.477 1.00 0.00 N ATOM 1001 CA ARG A 599 7.284 4.769 -8.910 1.00 0.00 C ATOM 1002 C ARG A 599 7.501 3.308 -9.291 1.00 0.00 C ATOM 1003 O ARG A 599 7.087 2.866 -10.363 1.00 0.00 O ATOM 1004 CB ARG A 599 8.246 5.661 -9.697 1.00 0.00 C ATOM 1005 CG ARG A 599 8.021 7.147 -9.471 1.00 0.00 C ATOM 1006 CD ARG A 599 6.976 7.704 -10.425 1.00 0.00 C ATOM 1007 NE ARG A 599 5.617 7.488 -9.935 1.00 0.00 N ATOM 1008 CZ ARG A 599 4.535 7.979 -10.528 1.00 0.00 C ATOM 1009 NH1 ARG A 599 4.652 8.709 -11.628 1.00 0.00 N ATOM 1010 NH2 ARG A 599 3.332 7.738 -10.023 1.00 0.00 N ATOM 0 H ARG A 599 8.125 5.708 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 599 6.259 5.043 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.270 5.411 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.142 5.444 -10.760 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.703 7.315 -8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.961 7.683 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 599 7.145 8.772 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 599 7.089 7.233 -11.401 1.00 0.00 H new ATOM 0 HE ARG A 599 5.492 6.929 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 599 5.575 8.895 -12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 599 3.819 9.085 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 599 3.237 7.175 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 599 2.502 8.116 -10.480 1.00 0.00 H new ATOM 1024 N LYS A 600 8.155 2.563 -8.406 1.00 0.00 N ATOM 1025 CA LYS A 600 8.428 1.150 -8.648 1.00 0.00 C ATOM 1026 C LYS A 600 7.338 0.274 -8.039 1.00 0.00 C ATOM 1027 O LYS A 600 7.020 -0.793 -8.565 1.00 0.00 O ATOM 1028 CB LYS A 600 9.790 0.766 -8.067 1.00 0.00 C ATOM 1029 CG LYS A 600 10.964 1.227 -8.913 1.00 0.00 C ATOM 1030 CD LYS A 600 12.253 1.256 -8.109 1.00 0.00 C ATOM 1031 CE LYS A 600 12.992 -0.070 -8.192 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.087 -0.566 -9.594 1.00 0.00 N ATOM 0 H LYS A 600 8.506 2.914 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 600 8.441 0.987 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.883 1.193 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.836 -0.317 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 600 11.082 0.561 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.759 2.221 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.895 2.055 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.028 1.484 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.994 0.046 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.479 -0.811 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.938 -1.154 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.245 -1.133 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.144 0.243 -10.245 1.00 0.00 H new ATOM 1046 N SER A 601 6.768 0.730 -6.929 1.00 0.00 N ATOM 1047 CA SER A 601 5.715 -0.013 -6.248 1.00 0.00 C ATOM 1048 C SER A 601 4.440 -0.038 -7.083 1.00 0.00 C ATOM 1049 O SER A 601 3.707 -1.027 -7.087 1.00 0.00 O ATOM 1050 CB SER A 601 5.430 0.605 -4.878 1.00 0.00 C ATOM 1051 OG SER A 601 4.558 1.716 -4.992 1.00 0.00 O ATOM 0 H SER A 601 7.018 1.612 -6.482 1.00 0.00 H new ATOM 0 HA SER A 601 6.058 -1.039 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.986 -0.144 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.366 0.919 -4.415 1.00 0.00 H new ATOM 0 HG SER A 601 4.929 2.359 -5.632 1.00 0.00 H new ATOM 1057 N GLU A 602 4.180 1.058 -7.789 1.00 0.00 N ATOM 1058 CA GLU A 602 2.992 1.163 -8.628 1.00 0.00 C ATOM 1059 C GLU A 602 3.107 0.253 -9.848 1.00 0.00 C ATOM 1060 O GLU A 602 2.116 -0.020 -10.527 1.00 0.00 O ATOM 1061 CB GLU A 602 2.783 2.611 -9.076 1.00 0.00 C ATOM 1062 CG GLU A 602 3.766 3.068 -10.140 1.00 0.00 C ATOM 1063 CD GLU A 602 3.351 2.648 -11.537 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.168 2.843 -11.888 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.210 2.127 -12.278 1.00 0.00 O ATOM 0 H GLU A 602 4.776 1.886 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 602 2.132 0.846 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.769 2.721 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.868 3.266 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.857 4.154 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.751 2.658 -9.919 1.00 0.00 H new ATOM 1072 N ARG A 603 4.321 -0.211 -10.122 1.00 0.00 N ATOM 1073 CA ARG A 603 4.566 -1.087 -11.261 1.00 0.00 C ATOM 1074 C ARG A 603 3.975 -2.473 -11.017 1.00 0.00 C ATOM 1075 O ARG A 603 3.823 -3.268 -11.946 1.00 0.00 O ATOM 1076 CB ARG A 603 6.067 -1.202 -11.529 1.00 0.00 C ATOM 1077 CG ARG A 603 6.409 -2.118 -12.694 1.00 0.00 C ATOM 1078 CD ARG A 603 7.908 -2.160 -12.948 1.00 0.00 C ATOM 1079 NE ARG A 603 8.234 -2.867 -14.183 1.00 0.00 N ATOM 1080 CZ ARG A 603 8.170 -2.311 -15.388 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.794 -1.047 -15.519 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.482 -3.020 -16.465 1.00 0.00 N ATOM 0 H ARG A 603 5.151 0.005 -9.570 1.00 0.00 H new ATOM 0 HA ARG A 603 4.080 -0.651 -12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.469 -0.209 -11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.561 -1.571 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 603 6.046 -3.124 -12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.896 -1.773 -13.592 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.296 -1.143 -13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.404 -2.648 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 603 8.527 -3.842 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 603 7.553 -0.498 -14.694 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.746 -0.623 -16.445 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.771 -3.993 -16.369 1.00 0.00 H new ATOM 0 HH22 ARG A 603 8.432 -2.592 -17.389 1.00 0.00 H new ATOM 1096 N LEU A 604 3.643 -2.757 -9.762 1.00 0.00 N ATOM 1097 CA LEU A 604 3.069 -4.047 -9.395 1.00 0.00 C ATOM 1098 C LEU A 604 1.546 -3.970 -9.344 1.00 0.00 C ATOM 1099 O LEU A 604 0.886 -4.869 -8.822 1.00 0.00 O ATOM 1100 CB LEU A 604 3.614 -4.503 -8.041 1.00 0.00 C ATOM 1101 CG LEU A 604 5.135 -4.623 -7.936 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.556 -4.807 -6.486 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.639 -5.778 -8.789 1.00 0.00 C ATOM 0 H LEU A 604 3.762 -2.111 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 604 3.352 -4.773 -10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.271 -3.803 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.176 -5.472 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 604 5.580 -3.700 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.641 -4.891 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.228 -3.949 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.101 -5.714 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.723 -5.848 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.186 -6.708 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.369 -5.606 -9.831 1.00 0.00 H new ATOM 1115 N HIS A 605 0.994 -2.891 -9.891 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.451 -2.698 -9.908 1.00 0.00 C ATOM 1117 C HIS A 605 -1.141 -3.832 -10.662 1.00 0.00 C ATOM 1118 O HIS A 605 -0.598 -4.369 -11.628 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.800 -1.356 -10.553 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.247 -0.989 -10.427 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.049 -1.432 -9.397 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.034 -0.215 -11.210 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.267 -0.948 -9.552 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.286 -0.205 -10.644 1.00 0.00 N ATOM 0 H HIS A 605 1.526 -2.138 -10.328 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.806 -2.701 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.194 -0.574 -10.096 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.533 -1.389 -11.609 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.734 0.299 -12.111 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.106 -1.129 -8.897 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.098 0.295 -11.008 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.340 -4.190 -10.214 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.102 -5.262 -10.845 1.00 0.00 C ATOM 1134 C ARG A 606 -2.289 -6.552 -10.893 1.00 0.00 C ATOM 1135 O ARG A 606 -2.212 -7.213 -11.928 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.516 -4.856 -12.260 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.031 -3.428 -12.358 1.00 0.00 C ATOM 1138 CD ARG A 606 -3.858 -2.869 -13.762 1.00 0.00 C ATOM 1139 NE ARG A 606 -4.359 -1.502 -13.872 1.00 0.00 N ATOM 1140 CZ ARG A 606 -4.368 -0.811 -15.006 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -3.906 -1.357 -16.123 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -4.839 0.429 -15.027 1.00 0.00 N ATOM 0 H ARG A 606 -2.805 -3.754 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.996 -5.438 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.662 -4.972 -12.927 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.290 -5.538 -12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.085 -3.400 -12.081 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.498 -2.798 -11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -2.803 -2.891 -14.034 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.384 -3.506 -14.473 1.00 0.00 H new ATOM 0 HE ARG A 606 -4.722 -1.053 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -3.543 -2.310 -16.112 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -3.914 -0.824 -16.993 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -5.195 0.854 -14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -4.845 0.958 -15.899 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.684 -6.906 -9.763 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.878 -8.117 -9.674 1.00 0.00 C ATOM 1158 C LYS A 607 -1.680 -9.260 -9.060 1.00 0.00 C ATOM 1159 O LYS A 607 -2.644 -9.034 -8.329 1.00 0.00 O ATOM 1160 CB LYS A 607 0.379 -7.858 -8.841 1.00 0.00 C ATOM 1161 CG LYS A 607 1.550 -7.335 -9.654 1.00 0.00 C ATOM 1162 CD LYS A 607 2.318 -8.467 -10.317 1.00 0.00 C ATOM 1163 CE LYS A 607 3.372 -7.938 -11.277 1.00 0.00 C ATOM 1164 NZ LYS A 607 2.775 -7.077 -12.336 1.00 0.00 N ATOM 0 H LYS A 607 -1.737 -6.371 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.585 -8.403 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.143 -7.140 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.675 -8.784 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.186 -6.646 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.220 -6.770 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.795 -9.081 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.624 -9.112 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.116 -7.367 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 607 3.894 -8.775 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 3.226 -7.287 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 1.754 -7.265 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.928 -6.076 -12.097 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.275 -10.489 -9.363 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.954 -11.669 -8.840 1.00 0.00 C ATOM 1180 C LYS A 608 -1.204 -12.241 -7.641 1.00 0.00 C ATOM 1181 O LYS A 608 -0.212 -12.955 -7.799 1.00 0.00 O ATOM 1182 CB LYS A 608 -2.083 -12.735 -9.930 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.880 -12.276 -11.139 1.00 0.00 C ATOM 1184 CD LYS A 608 -3.317 -13.450 -11.999 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.942 -12.983 -13.304 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.965 -13.943 -13.804 1.00 0.00 N ATOM 0 H LYS A 608 -0.480 -10.694 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.950 -11.369 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -1.086 -13.033 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.558 -13.620 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.757 -11.720 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.276 -11.592 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.458 -14.085 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -4.034 -14.059 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -4.402 -12.006 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.163 -12.859 -14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -5.367 -13.589 -14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -4.521 -14.869 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -5.722 -14.043 -13.098 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.684 -11.926 -6.443 1.00 0.00 N ATOM 1201 CA LEU A 609 -1.060 -12.410 -5.217 1.00 0.00 C ATOM 1202 C LEU A 609 -1.790 -13.637 -4.682 1.00 0.00 C ATOM 1203 O LEU A 609 -2.887 -13.530 -4.135 1.00 0.00 O ATOM 1204 CB LEU A 609 -1.048 -11.307 -4.157 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.043 -11.481 -3.018 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.214 -10.152 -2.326 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.540 -12.517 -2.021 1.00 0.00 C ATOM 0 H LEU A 609 -2.504 -11.337 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 609 -0.033 -12.693 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.845 -10.357 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -2.046 -11.234 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 609 0.898 -11.835 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.932 -10.295 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.615 -9.439 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.721 -9.768 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.188 -12.627 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.494 -12.193 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.671 -13.474 -2.526 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.173 -14.804 -4.841 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.763 -16.052 -4.373 1.00 0.00 C ATOM 1221 C ASN A 610 -3.064 -16.350 -5.114 1.00 0.00 C ATOM 1222 O ASN A 610 -4.002 -16.906 -4.544 1.00 0.00 O ATOM 1223 CB ASN A 610 -2.026 -15.983 -2.867 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.758 -15.751 -2.069 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.264 -15.330 -2.614 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.816 -16.026 -0.771 1.00 0.00 N ATOM 0 H ASN A 610 -0.264 -14.911 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 610 -1.057 -16.857 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.734 -15.180 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.493 -16.912 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.007 -15.890 -0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.683 -16.373 -0.361 1.00 0.00 H new ATOM 1233 N GLY A 611 -3.110 -15.978 -6.389 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.299 -16.214 -7.188 1.00 0.00 C ATOM 1235 C GLY A 611 -5.362 -15.153 -6.973 1.00 0.00 C ATOM 1236 O GLY A 611 -6.488 -15.289 -7.451 1.00 0.00 O ATOM 0 H GLY A 611 -2.346 -15.518 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -4.025 -16.241 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.711 -17.192 -6.941 1.00 0.00 H new ATOM 1240 N ARG A 612 -5.004 -14.096 -6.251 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.936 -13.011 -5.972 1.00 0.00 C ATOM 1242 C ARG A 612 -5.405 -11.686 -6.512 1.00 0.00 C ATOM 1243 O ARG A 612 -4.278 -11.290 -6.213 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.185 -12.899 -4.467 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.323 -13.774 -3.970 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.982 -13.183 -2.733 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.875 -14.137 -2.081 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.131 -14.345 -2.461 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.639 -13.671 -3.483 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.882 -15.229 -1.817 1.00 0.00 N ATOM 0 H ARG A 612 -4.075 -13.968 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.878 -13.236 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.272 -13.169 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.403 -11.860 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.066 -13.889 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.944 -14.770 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.213 -12.866 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.545 -12.292 -3.012 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.515 -14.673 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -10.065 -12.990 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.604 -13.833 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.495 -15.749 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.846 -15.388 -2.109 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.224 -11.006 -7.308 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.836 -9.727 -7.889 1.00 0.00 C ATOM 1266 C GLU A 613 -5.571 -8.691 -6.799 1.00 0.00 C ATOM 1267 O GLU A 613 -6.283 -8.634 -5.798 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.925 -9.219 -8.836 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.083 -10.063 -10.089 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.480 -9.982 -10.675 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.732 -9.065 -11.483 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -9.320 -10.837 -10.325 1.00 0.00 O ATOM 0 H GLU A 613 -7.160 -11.320 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.916 -9.879 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.875 -9.193 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.694 -8.194 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.360 -9.736 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.851 -11.102 -9.854 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.541 -7.876 -7.003 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.183 -6.843 -6.040 1.00 0.00 C ATOM 1281 C ALA A 614 -4.207 -5.460 -6.683 1.00 0.00 C ATOM 1282 O ALA A 614 -3.777 -5.288 -7.824 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.811 -7.127 -5.447 1.00 0.00 C ATOM 0 H ALA A 614 -3.940 -7.912 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.923 -6.856 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.556 -6.347 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.825 -8.093 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.067 -7.144 -6.243 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.714 -4.479 -5.945 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.796 -3.110 -6.446 1.00 0.00 C ATOM 1291 C PHE A 615 -3.960 -2.166 -5.585 1.00 0.00 C ATOM 1292 O PHE A 615 -4.217 -2.005 -4.392 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.251 -2.641 -6.472 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.098 -3.371 -7.475 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.696 -3.472 -8.797 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.295 -3.956 -7.097 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.474 -4.142 -9.723 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.078 -4.628 -8.017 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.665 -4.722 -9.332 1.00 0.00 C ATOM 0 H PHE A 615 -5.074 -4.605 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.399 -3.096 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.684 -2.770 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.277 -1.574 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.765 -3.022 -9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.621 -3.886 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.151 -4.212 -10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.010 -5.078 -7.709 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.273 -5.248 -10.053 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.959 -1.545 -6.200 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.086 -0.616 -5.493 1.00 0.00 C ATOM 1311 C VAL A 616 -2.439 0.830 -5.822 1.00 0.00 C ATOM 1312 O VAL A 616 -2.581 1.195 -6.990 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.606 -0.862 -5.839 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.291 0.076 -5.048 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.233 -2.315 -5.580 1.00 0.00 C ATOM 0 H VAL A 616 -2.732 -1.669 -7.187 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.237 -0.790 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.460 -0.656 -6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.333 -0.113 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.039 1.109 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.145 -0.094 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.816 -2.471 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.394 -2.550 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.854 -2.965 -6.196 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.582 1.650 -4.786 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.918 3.057 -4.965 1.00 0.00 C ATOM 1327 C HIS A 617 -1.798 3.954 -4.446 1.00 0.00 C ATOM 1328 O HIS A 617 -1.444 3.905 -3.268 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.226 3.387 -4.244 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.448 2.932 -4.980 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.082 1.736 -4.720 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.153 3.522 -5.974 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.123 1.609 -5.523 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.189 2.679 -6.293 1.00 0.00 N ATOM 0 H HIS A 617 -2.470 1.364 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.043 3.242 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.214 2.925 -3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.285 4.465 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.940 4.477 -6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.805 0.772 -5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.895 2.852 -7.009 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.242 4.773 -5.335 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.162 5.680 -4.968 1.00 0.00 C ATOM 1344 C VAL A 618 -0.709 6.986 -4.403 1.00 0.00 C ATOM 1345 O VAL A 618 -1.130 7.870 -5.150 1.00 0.00 O ATOM 1346 CB VAL A 618 0.743 5.994 -6.174 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.899 6.889 -5.757 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.254 4.707 -6.804 1.00 0.00 C ATOM 0 H VAL A 618 -1.523 4.826 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 618 0.428 5.175 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 618 0.154 6.528 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.527 7.099 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.509 7.824 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.491 6.386 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.892 4.947 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.828 4.144 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.409 4.107 -7.142 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.701 7.102 -3.079 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.196 8.302 -2.414 1.00 0.00 C ATOM 1360 C VAL A 619 -0.097 8.966 -1.592 1.00 0.00 C ATOM 1361 O VAL A 619 1.007 8.437 -1.467 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.389 7.981 -1.494 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.579 7.501 -2.310 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.994 6.947 -0.451 1.00 0.00 C ATOM 0 H VAL A 619 -0.357 6.380 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.524 8.987 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.681 8.894 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.412 7.279 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.875 8.279 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.304 6.600 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.849 6.732 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.675 6.031 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.175 7.335 0.154 1.00 0.00 H new ATOM 1374 N THR A 620 -0.409 10.130 -1.030 1.00 0.00 N ATOM 1375 CA THR A 620 0.552 10.868 -0.220 1.00 0.00 C ATOM 1376 C THR A 620 0.586 10.341 1.210 1.00 0.00 C ATOM 1377 O THR A 620 -0.303 9.598 1.630 1.00 0.00 O ATOM 1378 CB THR A 620 0.224 12.374 -0.192 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.086 12.579 0.350 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.300 12.970 -1.589 1.00 0.00 C ATOM 0 H THR A 620 -1.319 10.581 -1.121 1.00 0.00 H new ATOM 0 HA THR A 620 1.529 10.724 -0.681 1.00 0.00 H new ATOM 0 HB THR A 620 0.960 12.873 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.287 13.538 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.065 14.033 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.306 12.837 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.416 12.467 -2.239 1.00 0.00 H new ATOM 1388 N LEU A 621 1.615 10.728 1.954 1.00 0.00 N ATOM 1389 CA LEU A 621 1.764 10.295 3.339 1.00 0.00 C ATOM 1390 C LEU A 621 0.540 10.676 4.165 1.00 0.00 C ATOM 1391 O LEU A 621 -0.035 9.841 4.862 1.00 0.00 O ATOM 1392 CB LEU A 621 3.022 10.911 3.955 1.00 0.00 C ATOM 1393 CG LEU A 621 3.198 10.713 5.461 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.008 9.251 5.833 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.565 11.207 5.907 1.00 0.00 C ATOM 0 H LEU A 621 2.359 11.341 1.622 1.00 0.00 H new ATOM 0 HA LEU A 621 1.859 9.209 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.892 10.492 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.017 11.981 3.748 1.00 0.00 H new ATOM 0 HG LEU A 621 2.437 11.299 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.137 9.129 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.006 8.931 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.745 8.643 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.673 11.058 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.342 10.650 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.662 12.268 5.676 1.00 0.00 H new ATOM 1407 N GLU A 622 0.146 11.942 4.079 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.012 12.434 4.817 1.00 0.00 C ATOM 1409 C GLU A 622 -2.203 11.495 4.647 1.00 0.00 C ATOM 1410 O GLU A 622 -2.920 11.205 5.605 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.386 13.840 4.346 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.292 14.585 5.312 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.753 15.923 4.766 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.920 16.850 4.686 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -3.947 16.041 4.418 1.00 0.00 O ATOM 0 H GLU A 622 0.611 12.646 3.506 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.748 12.472 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.474 14.418 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.881 13.770 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -3.163 13.969 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -1.763 14.743 6.252 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.408 11.024 3.422 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.512 10.118 3.125 1.00 0.00 C ATOM 1424 C ASP A 623 -3.313 8.775 3.820 1.00 0.00 C ATOM 1425 O ASP A 623 -4.212 8.276 4.497 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.641 9.913 1.616 1.00 0.00 C ATOM 1427 CG ASP A 623 -5.065 9.620 1.190 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.985 10.309 1.680 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.262 8.704 0.365 1.00 0.00 O ATOM 0 H ASP A 623 -1.824 11.255 2.618 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.431 10.568 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.287 10.805 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -2.996 9.090 1.308 1.00 0.00 H new ATOM 1434 N MET A 624 -2.131 8.193 3.643 1.00 0.00 N ATOM 1435 CA MET A 624 -1.814 6.907 4.252 1.00 0.00 C ATOM 1436 C MET A 624 -2.090 6.933 5.753 1.00 0.00 C ATOM 1437 O MET A 624 -2.802 6.078 6.278 1.00 0.00 O ATOM 1438 CB MET A 624 -0.351 6.544 3.997 1.00 0.00 C ATOM 1439 CG MET A 624 0.058 5.208 4.597 1.00 0.00 C ATOM 1440 SD MET A 624 0.318 5.298 6.380 1.00 0.00 S ATOM 1441 CE MET A 624 1.994 4.679 6.509 1.00 0.00 C ATOM 0 H MET A 624 -1.378 8.592 3.083 1.00 0.00 H new ATOM 0 HA MET A 624 -2.453 6.150 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.173 6.520 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.286 7.327 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.712 4.467 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.974 4.864 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.196 4.389 7.540 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.113 3.813 5.858 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.694 5.458 6.208 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.520 7.920 6.437 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.703 8.056 7.877 1.00 0.00 C ATOM 1453 C ARG A 625 -3.183 8.004 8.245 1.00 0.00 C ATOM 1454 O ARG A 625 -3.576 7.304 9.177 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.090 9.369 8.368 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.672 9.336 9.830 1.00 0.00 C ATOM 1457 CD ARG A 625 0.327 10.438 10.148 1.00 0.00 C ATOM 1458 NE ARG A 625 0.630 10.507 11.575 1.00 0.00 N ATOM 1459 CZ ARG A 625 1.141 11.581 12.166 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.403 12.670 11.458 1.00 0.00 N ATOM 1461 NH2 ARG A 625 1.389 11.565 13.470 1.00 0.00 N ATOM 0 H ARG A 625 -0.928 8.637 6.017 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.197 7.222 8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.220 9.606 7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.811 10.174 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.552 9.447 10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.232 8.366 10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 625 1.247 10.265 9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -0.072 11.396 9.815 1.00 0.00 H new ATOM 0 HE ARG A 625 0.439 9.686 12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.212 12.685 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.795 13.493 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 625 1.187 10.728 14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 625 1.781 12.389 13.925 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.997 8.752 7.505 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.434 8.790 7.755 1.00 0.00 C ATOM 1477 C GLU A 626 -6.045 7.398 7.636 1.00 0.00 C ATOM 1478 O GLU A 626 -6.581 6.860 8.605 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.118 9.745 6.774 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.060 11.202 7.201 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.559 12.147 6.125 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -7.790 12.247 5.948 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -5.716 12.785 5.461 1.00 0.00 O ATOM 0 H GLU A 626 -3.687 9.338 6.730 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.591 9.150 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.650 9.643 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.161 9.450 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.658 11.336 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.033 11.460 7.458 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.960 6.820 6.443 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.504 5.491 6.196 1.00 0.00 C ATOM 1492 C ILE A 627 -5.963 4.481 7.204 1.00 0.00 C ATOM 1493 O ILE A 627 -6.670 3.562 7.616 1.00 0.00 O ATOM 1494 CB ILE A 627 -6.179 5.003 4.773 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.798 5.942 3.735 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.678 3.580 4.573 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -6.238 5.757 2.342 1.00 0.00 C ATOM 0 H ILE A 627 -5.519 7.252 5.631 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.586 5.568 6.305 1.00 0.00 H new ATOM 0 HB ILE A 627 -5.097 5.009 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.876 5.781 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.637 6.973 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.440 3.250 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.194 2.920 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.758 3.549 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.723 6.455 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -5.165 5.946 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -6.423 4.736 2.008 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.705 4.660 7.595 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.070 3.764 8.555 1.00 0.00 C ATOM 1511 C GLU A 628 -4.879 3.688 9.847 1.00 0.00 C ATOM 1512 O GLU A 628 -5.305 2.611 10.264 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.646 4.234 8.859 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.016 3.536 10.053 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.688 2.082 9.772 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.050 1.593 8.682 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -1.069 1.435 10.642 1.00 0.00 O ATOM 0 H GLU A 628 -4.106 5.416 7.263 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.030 2.768 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.022 4.067 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.658 5.308 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -1.105 4.062 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.696 3.594 10.903 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.087 4.840 10.476 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.844 4.908 11.719 1.00 0.00 C ATOM 1526 C LYS A 629 -7.247 4.337 11.533 1.00 0.00 C ATOM 1527 O LYS A 629 -7.695 3.499 12.315 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.933 6.354 12.211 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.702 6.812 12.976 1.00 0.00 C ATOM 1530 CD LYS A 629 -5.023 7.972 13.904 1.00 0.00 C ATOM 1531 CE LYS A 629 -5.458 7.483 15.277 1.00 0.00 C ATOM 1532 NZ LYS A 629 -6.383 8.443 15.940 1.00 0.00 N ATOM 0 H LYS A 629 -4.741 5.740 10.144 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.321 4.309 12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.084 7.012 11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.809 6.458 12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.303 5.980 13.556 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -3.926 7.112 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -4.146 8.612 14.005 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -5.814 8.582 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -5.949 6.515 15.179 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.579 7.333 15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -6.656 8.074 16.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.906 9.360 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -7.233 8.567 15.354 1.00 0.00 H new