USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -120:sc= 0.948 USER MOD Single : A 547 HIS : no HE2:sc= -2.99! K(o=-3!,f=-2.1) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -1.39 K(o=-1.4,f=-2!) 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+ 148:sc= -0.0533 (180deg=-1.02) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.5!) USER MOD Single : A 572 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.023) USER MOD Single : A 575 HIS : no HD1:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 587 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.0032) USER MOD Single : A 591 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.4) USER MOD Single : A 593 LYS NZ :NH3+ -169:sc=-0.00566 (180deg=-0.117) USER MOD Single : A 594 ASN : amide:sc= -1.03 X(o=-1,f=-0.59) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -79:sc= 1.3 USER MOD Single : A 605 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-3.9!) 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= -0.125 K(o=-0.12,f=-1.9!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 620 THR OG1 : rot -77:sc= 1.24 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.527 14.961 -1.061 1.00 0.00 N ATOM 142 CA ALA A 542 5.036 14.029 -2.058 1.00 0.00 C ATOM 143 C ALA A 542 4.440 12.639 -1.866 1.00 0.00 C ATOM 144 O ALA A 542 4.226 12.195 -0.737 1.00 0.00 O ATOM 145 CB ALA A 542 6.556 13.967 -1.996 1.00 0.00 C ATOM 0 HA ALA A 542 4.738 14.390 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.922 13.267 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.969 14.957 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.866 13.633 -1.006 1.00 0.00 H new ATOM 151 N LYS A 543 4.173 11.955 -2.974 1.00 0.00 N ATOM 152 CA LYS A 543 3.601 10.615 -2.927 1.00 0.00 C ATOM 153 C LYS A 543 4.680 9.572 -2.647 1.00 0.00 C ATOM 154 O LYS A 543 5.287 9.029 -3.570 1.00 0.00 O ATOM 155 CB LYS A 543 2.898 10.292 -4.247 1.00 0.00 C ATOM 156 CG LYS A 543 1.481 10.835 -4.329 1.00 0.00 C ATOM 157 CD LYS A 543 1.057 11.073 -5.768 1.00 0.00 C ATOM 158 CE LYS A 543 -0.322 11.710 -5.845 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.271 13.176 -5.584 1.00 0.00 N ATOM 0 H LYS A 543 4.344 12.307 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 543 2.873 10.587 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.483 10.701 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.872 9.211 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.794 10.133 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.415 11.769 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.785 11.718 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.052 10.126 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.750 11.531 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.983 11.235 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.230 13.573 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.114 13.346 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 0.339 13.633 -6.291 1.00 0.00 H new ATOM 173 N VAL A 544 4.912 9.299 -1.367 1.00 0.00 N ATOM 174 CA VAL A 544 5.916 8.319 -0.966 1.00 0.00 C ATOM 175 C VAL A 544 5.279 7.157 -0.213 1.00 0.00 C ATOM 176 O VAL A 544 5.941 6.474 0.570 1.00 0.00 O ATOM 177 CB VAL A 544 7.000 8.959 -0.078 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.702 10.086 -0.821 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.394 9.462 1.223 1.00 0.00 C ATOM 0 H VAL A 544 4.420 9.741 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 544 6.378 7.946 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 544 7.743 8.199 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.464 10.526 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.171 9.691 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.974 10.849 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.174 9.911 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.630 10.208 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.943 8.628 1.761 1.00 0.00 H new ATOM 189 N CYS A 545 3.991 6.938 -0.453 1.00 0.00 N ATOM 190 CA CYS A 545 3.263 5.857 0.202 1.00 0.00 C ATOM 191 C CYS A 545 2.398 5.099 -0.799 1.00 0.00 C ATOM 192 O CYS A 545 1.994 5.645 -1.824 1.00 0.00 O ATOM 193 CB CYS A 545 2.393 6.412 1.330 1.00 0.00 C ATOM 194 SG CYS A 545 3.310 6.844 2.827 1.00 0.00 S ATOM 0 H CYS A 545 3.429 7.495 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 545 3.991 5.163 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.871 7.298 0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.632 5.674 1.584 1.00 0.00 H new ATOM 0 HG CYS A 545 2.864 6.143 3.827 1.00 0.00 H new ATOM 200 N ALA A 546 2.120 3.835 -0.494 1.00 0.00 N ATOM 201 CA ALA A 546 1.302 3.001 -1.366 1.00 0.00 C ATOM 202 C ALA A 546 0.393 2.084 -0.556 1.00 0.00 C ATOM 203 O ALA A 546 0.805 1.527 0.462 1.00 0.00 O ATOM 204 CB ALA A 546 2.187 2.183 -2.296 1.00 0.00 C ATOM 0 H ALA A 546 2.449 3.367 0.350 1.00 0.00 H new ATOM 0 HA ALA A 546 0.670 3.656 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.563 1.565 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.790 2.854 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.843 1.544 -1.705 1.00 0.00 H new ATOM 210 N HIS A 547 -0.846 1.932 -1.013 1.00 0.00 N ATOM 211 CA HIS A 547 -1.814 1.083 -0.329 1.00 0.00 C ATOM 212 C HIS A 547 -2.157 -0.141 -1.175 1.00 0.00 C ATOM 213 O HIS A 547 -2.424 -0.023 -2.372 1.00 0.00 O ATOM 214 CB HIS A 547 -3.085 1.871 -0.014 1.00 0.00 C ATOM 215 CG HIS A 547 -4.073 1.110 0.814 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.439 1.221 0.650 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.889 0.220 1.817 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.050 0.435 1.517 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.132 -0.185 2.237 1.00 0.00 N ATOM 0 H HIS A 547 -1.203 2.386 -1.854 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.366 0.744 0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.814 2.787 0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.560 2.168 -0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.904 1.817 -0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.940 -0.110 2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.119 0.319 1.620 1.00 0.00 H new ATOM 227 N ILE A 548 -2.147 -1.311 -0.546 1.00 0.00 N ATOM 228 CA ILE A 548 -2.457 -2.554 -1.242 1.00 0.00 C ATOM 229 C ILE A 548 -3.737 -3.181 -0.702 1.00 0.00 C ATOM 230 O ILE A 548 -3.840 -3.487 0.487 1.00 0.00 O ATOM 231 CB ILE A 548 -1.307 -3.571 -1.117 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.016 -2.988 -1.693 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.670 -4.869 -1.823 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.203 -3.844 -1.430 1.00 0.00 C ATOM 0 H ILE A 548 -1.928 -1.425 0.444 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.595 -2.302 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.146 -3.787 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 548 -0.134 -2.858 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.147 -1.997 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.848 -5.578 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.568 -5.290 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.855 -4.670 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.082 -3.370 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.346 -3.953 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.061 -4.827 -1.879 1.00 0.00 H new ATOM 246 N THR A 549 -4.714 -3.374 -1.583 1.00 0.00 N ATOM 247 CA THR A 549 -5.987 -3.965 -1.197 1.00 0.00 C ATOM 248 C THR A 549 -6.358 -5.123 -2.117 1.00 0.00 C ATOM 249 O THR A 549 -5.718 -5.342 -3.143 1.00 0.00 O ATOM 250 CB THR A 549 -7.122 -2.923 -1.220 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.297 -2.418 -2.548 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.819 -1.773 -0.271 1.00 0.00 C ATOM 0 H THR A 549 -4.646 -3.128 -2.571 1.00 0.00 H new ATOM 0 HA THR A 549 -5.866 -4.337 -0.180 1.00 0.00 H new ATOM 0 HB THR A 549 -8.040 -3.411 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.021 -1.758 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.634 -1.050 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.715 -2.157 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.891 -1.288 -0.572 1.00 0.00 H new ATOM 260 N ASN A 550 -7.398 -5.862 -1.741 1.00 0.00 N ATOM 261 CA ASN A 550 -7.854 -6.999 -2.532 1.00 0.00 C ATOM 262 C ASN A 550 -6.850 -8.145 -2.467 1.00 0.00 C ATOM 263 O ASN A 550 -6.596 -8.819 -3.465 1.00 0.00 O ATOM 264 CB ASN A 550 -8.070 -6.578 -3.988 1.00 0.00 C ATOM 265 CG ASN A 550 -8.875 -7.598 -4.771 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.766 -8.802 -4.539 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.688 -7.119 -5.704 1.00 0.00 N ATOM 0 H ASN A 550 -7.940 -5.693 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.800 -7.345 -2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.584 -5.617 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.103 -6.435 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.255 -7.757 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.746 -6.113 -5.862 1.00 0.00 H new ATOM 274 N ILE A 551 -6.283 -8.361 -1.284 1.00 0.00 N ATOM 275 CA ILE A 551 -5.309 -9.427 -1.088 1.00 0.00 C ATOM 276 C ILE A 551 -5.768 -10.398 -0.005 1.00 0.00 C ATOM 277 O ILE A 551 -6.363 -10.010 1.001 1.00 0.00 O ATOM 278 CB ILE A 551 -3.927 -8.865 -0.705 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.079 -7.727 0.308 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.190 -8.382 -1.945 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.796 -7.392 1.036 1.00 0.00 C ATOM 0 H ILE A 551 -6.482 -7.812 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.226 -9.956 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.341 -9.661 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.437 -6.837 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.841 -8.000 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.215 -7.988 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.056 -9.214 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.770 -7.597 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -2.978 -6.578 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.447 -8.269 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.037 -7.087 0.315 1.00 0.00 H new ATOM 293 N PRO A 552 -5.485 -11.693 -0.213 1.00 0.00 N ATOM 294 CA PRO A 552 -5.856 -12.747 0.736 1.00 0.00 C ATOM 295 C PRO A 552 -5.488 -12.390 2.172 1.00 0.00 C ATOM 296 O PRO A 552 -4.315 -12.405 2.544 1.00 0.00 O ATOM 297 CB PRO A 552 -5.047 -13.955 0.260 1.00 0.00 C ATOM 298 CG PRO A 552 -4.847 -13.726 -1.199 1.00 0.00 C ATOM 299 CD PRO A 552 -4.779 -12.227 -1.389 1.00 0.00 C ATOM 0 HA PRO A 552 -6.932 -12.919 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.094 -14.025 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.581 -14.887 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.930 -14.204 -1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.667 -14.154 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.748 -11.875 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.259 -11.919 -2.318 1.00 0.00 H new ATOM 307 N PHE A 553 -6.498 -12.072 2.975 1.00 0.00 N ATOM 308 CA PHE A 553 -6.279 -11.711 4.372 1.00 0.00 C ATOM 309 C PHE A 553 -5.606 -12.853 5.129 1.00 0.00 C ATOM 310 O PHE A 553 -5.158 -12.680 6.262 1.00 0.00 O ATOM 311 CB PHE A 553 -7.607 -11.352 5.041 1.00 0.00 C ATOM 312 CG PHE A 553 -8.719 -12.308 4.718 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.775 -13.556 5.317 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.710 -11.959 3.814 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.797 -14.438 5.022 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.735 -12.836 3.516 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.778 -14.078 4.118 1.00 0.00 C ATOM 0 H PHE A 553 -7.475 -12.057 2.683 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.620 -10.843 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.465 -11.325 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.900 -10.349 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.010 -13.843 6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.681 -10.990 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.829 -15.407 5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.503 -12.550 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.576 -14.766 3.883 1.00 0.00 H new ATOM 327 N SER A 554 -5.541 -14.018 4.494 1.00 0.00 N ATOM 328 CA SER A 554 -4.928 -15.190 5.108 1.00 0.00 C ATOM 329 C SER A 554 -3.433 -14.971 5.324 1.00 0.00 C ATOM 330 O SER A 554 -2.857 -15.460 6.296 1.00 0.00 O ATOM 331 CB SER A 554 -5.153 -16.426 4.237 1.00 0.00 C ATOM 332 OG SER A 554 -4.642 -17.591 4.861 1.00 0.00 O ATOM 0 H SER A 554 -5.905 -14.176 3.554 1.00 0.00 H new ATOM 0 HA SER A 554 -5.399 -15.348 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 554 -6.219 -16.550 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.670 -16.286 3.270 1.00 0.00 H new ATOM 0 HG SER A 554 -4.800 -18.367 4.284 1.00 0.00 H new ATOM 338 N ILE A 555 -2.813 -14.232 4.411 1.00 0.00 N ATOM 339 CA ILE A 555 -1.385 -13.947 4.500 1.00 0.00 C ATOM 340 C ILE A 555 -1.103 -12.887 5.561 1.00 0.00 C ATOM 341 O ILE A 555 -2.013 -12.208 6.034 1.00 0.00 O ATOM 342 CB ILE A 555 -0.821 -13.468 3.149 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.146 -11.990 2.931 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.380 -14.313 2.013 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.611 -11.440 1.627 1.00 0.00 C ATOM 0 H ILE A 555 -3.276 -13.819 3.601 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.893 -14.879 4.779 1.00 0.00 H new ATOM 0 HB ILE A 555 0.263 -13.583 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.228 -11.857 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.734 -11.410 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.973 -13.963 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -1.102 -15.356 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.466 -14.226 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.879 -10.387 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.474 -11.541 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -1.042 -11.995 0.794 1.00 0.00 H new ATOM 357 N THR A 556 0.168 -12.751 5.928 1.00 0.00 N ATOM 358 CA THR A 556 0.572 -11.774 6.931 1.00 0.00 C ATOM 359 C THR A 556 1.616 -10.813 6.373 1.00 0.00 C ATOM 360 O THR A 556 2.015 -10.918 5.213 1.00 0.00 O ATOM 361 CB THR A 556 1.143 -12.462 8.186 1.00 0.00 C ATOM 362 OG1 THR A 556 2.181 -13.376 7.815 1.00 0.00 O ATOM 363 CG2 THR A 556 0.051 -13.205 8.940 1.00 0.00 C ATOM 0 H THR A 556 0.934 -13.305 5.546 1.00 0.00 H new ATOM 0 HA THR A 556 -0.322 -11.215 7.207 1.00 0.00 H new ATOM 0 HB THR A 556 1.554 -11.693 8.839 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.539 -13.808 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.478 -13.683 9.822 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.723 -12.501 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 556 -0.386 -13.965 8.292 1.00 0.00 H new ATOM 371 N LYS A 557 2.055 -9.876 7.206 1.00 0.00 N ATOM 372 CA LYS A 557 3.054 -8.895 6.798 1.00 0.00 C ATOM 373 C LYS A 557 4.208 -9.569 6.062 1.00 0.00 C ATOM 374 O LYS A 557 4.663 -9.085 5.027 1.00 0.00 O ATOM 375 CB LYS A 557 3.585 -8.140 8.018 1.00 0.00 C ATOM 376 CG LYS A 557 4.284 -6.837 7.670 1.00 0.00 C ATOM 377 CD LYS A 557 4.680 -6.065 8.918 1.00 0.00 C ATOM 378 CE LYS A 557 5.859 -5.142 8.650 1.00 0.00 C ATOM 379 NZ LYS A 557 6.652 -4.883 9.884 1.00 0.00 N ATOM 0 H LYS A 557 1.734 -9.775 8.169 1.00 0.00 H new ATOM 0 HA LYS A 557 2.577 -8.187 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.756 -7.929 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.280 -8.783 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.172 -7.048 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.626 -6.223 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.831 -5.480 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 557 4.937 -6.764 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.503 -5.586 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.496 -4.197 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 7.652 -4.749 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 6.295 -4.026 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 6.563 -5.693 10.530 1.00 0.00 H new ATOM 393 N MET A 558 4.676 -10.690 6.604 1.00 0.00 N ATOM 394 CA MET A 558 5.775 -11.431 5.996 1.00 0.00 C ATOM 395 C MET A 558 5.516 -11.668 4.512 1.00 0.00 C ATOM 396 O MET A 558 6.342 -11.325 3.665 1.00 0.00 O ATOM 397 CB MET A 558 5.973 -12.769 6.711 1.00 0.00 C ATOM 398 CG MET A 558 6.605 -12.634 8.087 1.00 0.00 C ATOM 399 SD MET A 558 7.386 -14.161 8.645 1.00 0.00 S ATOM 400 CE MET A 558 9.075 -13.891 8.114 1.00 0.00 C ATOM 0 H MET A 558 4.311 -11.104 7.462 1.00 0.00 H new ATOM 0 HA MET A 558 6.682 -10.835 6.097 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.008 -13.265 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.600 -13.412 6.094 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.349 -11.837 8.065 1.00 0.00 H new ATOM 0 HG3 MET A 558 5.841 -12.337 8.806 1.00 0.00 H new ATOM 0 HE1 MET A 558 9.685 -14.752 8.388 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.100 -13.759 7.032 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.470 -12.998 8.598 1.00 0.00 H new ATOM 410 N ASP A 559 4.365 -12.256 4.203 1.00 0.00 N ATOM 411 CA ASP A 559 3.997 -12.538 2.820 1.00 0.00 C ATOM 412 C ASP A 559 4.124 -11.286 1.958 1.00 0.00 C ATOM 413 O ASP A 559 4.862 -11.270 0.973 1.00 0.00 O ATOM 414 CB ASP A 559 2.567 -13.077 2.751 1.00 0.00 C ATOM 415 CG ASP A 559 2.509 -14.584 2.908 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.181 -15.113 3.819 1.00 0.00 O ATOM 417 OD2 ASP A 559 1.792 -15.236 2.120 1.00 0.00 O ATOM 0 H ASP A 559 3.671 -12.547 4.892 1.00 0.00 H new ATOM 0 HA ASP A 559 4.681 -13.294 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 559 1.967 -12.610 3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.122 -12.796 1.797 1.00 0.00 H new ATOM 422 N VAL A 560 3.398 -10.238 2.335 1.00 0.00 N ATOM 423 CA VAL A 560 3.429 -8.981 1.596 1.00 0.00 C ATOM 424 C VAL A 560 4.855 -8.607 1.208 1.00 0.00 C ATOM 425 O VAL A 560 5.133 -8.291 0.051 1.00 0.00 O ATOM 426 CB VAL A 560 2.813 -7.832 2.416 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.913 -6.520 1.656 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.366 -8.146 2.769 1.00 0.00 C ATOM 0 H VAL A 560 2.781 -10.235 3.148 1.00 0.00 H new ATOM 0 HA VAL A 560 2.837 -9.130 0.693 1.00 0.00 H new ATOM 0 HB VAL A 560 3.375 -7.729 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.473 -5.720 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 560 3.961 -6.292 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.378 -6.606 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.946 -7.324 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.788 -8.277 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.326 -9.062 3.358 1.00 0.00 H new ATOM 438 N LEU A 561 5.756 -8.644 2.184 1.00 0.00 N ATOM 439 CA LEU A 561 7.156 -8.309 1.945 1.00 0.00 C ATOM 440 C LEU A 561 7.698 -9.064 0.735 1.00 0.00 C ATOM 441 O LEU A 561 8.497 -8.530 -0.033 1.00 0.00 O ATOM 442 CB LEU A 561 7.997 -8.633 3.182 1.00 0.00 C ATOM 443 CG LEU A 561 7.644 -7.862 4.454 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.365 -8.455 5.654 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.988 -6.389 4.297 1.00 0.00 C ATOM 0 H LEU A 561 5.542 -8.902 3.147 1.00 0.00 H new ATOM 0 HA LEU A 561 7.218 -7.240 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 561 7.905 -9.699 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.044 -8.443 2.945 1.00 0.00 H new ATOM 0 HG LEU A 561 6.570 -7.948 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.102 -7.894 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.069 -9.497 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.442 -8.400 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.730 -5.856 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.056 -6.283 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.425 -5.971 3.462 1.00 0.00 H new ATOM 457 N GLN A 562 7.256 -10.306 0.572 1.00 0.00 N ATOM 458 CA GLN A 562 7.695 -11.133 -0.545 1.00 0.00 C ATOM 459 C GLN A 562 7.079 -10.651 -1.854 1.00 0.00 C ATOM 460 O GLN A 562 7.637 -10.865 -2.931 1.00 0.00 O ATOM 461 CB GLN A 562 7.325 -12.597 -0.302 1.00 0.00 C ATOM 462 CG GLN A 562 8.256 -13.583 -0.987 1.00 0.00 C ATOM 463 CD GLN A 562 9.431 -13.981 -0.113 1.00 0.00 C ATOM 464 OE1 GLN A 562 9.322 -14.021 1.112 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.562 -14.277 -0.742 1.00 0.00 N ATOM 0 H GLN A 562 6.594 -10.762 1.200 1.00 0.00 H new ATOM 0 HA GLN A 562 8.779 -11.049 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.330 -12.791 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.307 -12.768 -0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.694 -14.476 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.629 -13.143 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 562 10.607 -14.230 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.386 -14.551 -0.207 1.00 0.00 H new ATOM 474 N PHE A 563 5.924 -10.002 -1.755 1.00 0.00 N ATOM 475 CA PHE A 563 5.230 -9.491 -2.931 1.00 0.00 C ATOM 476 C PHE A 563 5.971 -8.297 -3.525 1.00 0.00 C ATOM 477 O PHE A 563 6.098 -8.172 -4.744 1.00 0.00 O ATOM 478 CB PHE A 563 3.799 -9.089 -2.571 1.00 0.00 C ATOM 479 CG PHE A 563 3.075 -8.384 -3.684 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.797 -9.041 -4.872 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.675 -7.066 -3.542 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.131 -8.396 -5.897 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.009 -6.415 -4.563 1.00 0.00 C ATOM 484 CZ PHE A 563 1.738 -7.081 -5.743 1.00 0.00 C ATOM 0 H PHE A 563 5.448 -9.817 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 563 5.200 -10.285 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.239 -9.981 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.822 -8.440 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.104 -10.069 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.886 -6.540 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 563 1.918 -8.920 -6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.701 -5.387 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.220 -6.574 -6.544 1.00 0.00 H new ATOM 494 N LEU A 564 6.459 -7.419 -2.655 1.00 0.00 N ATOM 495 CA LEU A 564 7.188 -6.233 -3.090 1.00 0.00 C ATOM 496 C LEU A 564 8.671 -6.543 -3.274 1.00 0.00 C ATOM 497 O LEU A 564 9.510 -5.643 -3.251 1.00 0.00 O ATOM 498 CB LEU A 564 7.015 -5.102 -2.077 1.00 0.00 C ATOM 499 CG LEU A 564 5.600 -4.541 -1.933 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.462 -3.763 -0.634 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.252 -3.659 -3.123 1.00 0.00 C ATOM 0 H LEU A 564 6.363 -7.507 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 564 6.779 -5.918 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.343 -5.461 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.681 -4.286 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 564 4.901 -5.377 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.448 -3.372 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.667 -4.423 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.172 -2.936 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.241 -3.269 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.957 -2.830 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.308 -4.246 -4.040 1.00 0.00 H new ATOM 513 N GLU A 565 8.985 -7.821 -3.460 1.00 0.00 N ATOM 514 CA GLU A 565 10.366 -8.249 -3.650 1.00 0.00 C ATOM 515 C GLU A 565 11.042 -7.432 -4.749 1.00 0.00 C ATOM 516 O GLU A 565 10.487 -7.250 -5.831 1.00 0.00 O ATOM 517 CB GLU A 565 10.420 -9.737 -3.999 1.00 0.00 C ATOM 518 CG GLU A 565 11.810 -10.224 -4.374 1.00 0.00 C ATOM 519 CD GLU A 565 11.811 -11.660 -4.863 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.756 -12.576 -4.016 1.00 0.00 O ATOM 521 OE2 GLU A 565 11.868 -11.867 -6.094 1.00 0.00 O ATOM 0 H GLU A 565 8.302 -8.578 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 565 10.902 -8.084 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.059 -10.315 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.740 -9.932 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.220 -9.579 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.467 -10.138 -3.509 1.00 0.00 H new ATOM 528 N GLY A 566 12.244 -6.945 -4.461 1.00 0.00 N ATOM 529 CA GLY A 566 12.976 -6.154 -5.434 1.00 0.00 C ATOM 530 C GLY A 566 13.124 -4.705 -5.010 1.00 0.00 C ATOM 531 O GLY A 566 14.176 -4.098 -5.211 1.00 0.00 O ATOM 0 H GLY A 566 12.725 -7.083 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.964 -6.589 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.462 -6.198 -6.394 1.00 0.00 H new ATOM 535 N ILE A 567 12.068 -4.151 -4.424 1.00 0.00 N ATOM 536 CA ILE A 567 12.085 -2.766 -3.973 1.00 0.00 C ATOM 537 C ILE A 567 12.848 -2.625 -2.660 1.00 0.00 C ATOM 538 O ILE A 567 12.603 -3.345 -1.690 1.00 0.00 O ATOM 539 CB ILE A 567 10.659 -2.216 -3.786 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.917 -2.199 -5.123 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.703 -0.821 -3.180 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.468 -1.780 -5.006 1.00 0.00 C ATOM 0 H ILE A 567 11.190 -4.641 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 567 12.589 -2.189 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 567 10.120 -2.871 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.429 -1.520 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.964 -3.193 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.687 -0.447 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 567 11.197 -0.861 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.256 -0.154 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.005 -1.791 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.941 -2.473 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.413 -0.774 -4.591 1.00 0.00 H new ATOM 554 N PRO A 568 13.795 -1.676 -2.623 1.00 0.00 N ATOM 555 CA PRO A 568 14.610 -1.416 -1.434 1.00 0.00 C ATOM 556 C PRO A 568 13.852 -0.629 -0.370 1.00 0.00 C ATOM 557 O PRO A 568 13.859 0.602 -0.372 1.00 0.00 O ATOM 558 CB PRO A 568 15.779 -0.590 -1.978 1.00 0.00 C ATOM 559 CG PRO A 568 15.225 0.106 -3.173 1.00 0.00 C ATOM 560 CD PRO A 568 14.140 -0.781 -3.741 1.00 0.00 C ATOM 0 HA PRO A 568 14.915 -2.339 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.140 0.123 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.623 -1.226 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.821 1.081 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.006 0.281 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.278 -0.199 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.494 -1.341 -4.607 1.00 0.00 H new ATOM 568 N VAL A 569 13.199 -1.347 0.537 1.00 0.00 N ATOM 569 CA VAL A 569 12.436 -0.716 1.608 1.00 0.00 C ATOM 570 C VAL A 569 12.334 -1.631 2.824 1.00 0.00 C ATOM 571 O VAL A 569 12.121 -2.837 2.690 1.00 0.00 O ATOM 572 CB VAL A 569 11.017 -0.341 1.141 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.193 -1.592 0.880 1.00 0.00 C ATOM 574 CG2 VAL A 569 10.337 0.551 2.168 1.00 0.00 C ATOM 0 H VAL A 569 13.183 -2.367 0.552 1.00 0.00 H new ATOM 0 HA VAL A 569 12.971 0.192 1.885 1.00 0.00 H new ATOM 0 HB VAL A 569 11.095 0.215 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.194 -1.307 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.674 -2.189 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.120 -2.177 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 569 9.335 0.806 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 569 10.269 0.024 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.919 1.463 2.300 1.00 0.00 H new ATOM 584 N ASP A 570 12.487 -1.050 4.008 1.00 0.00 N ATOM 585 CA ASP A 570 12.411 -1.814 5.249 1.00 0.00 C ATOM 586 C ASP A 570 11.043 -2.471 5.399 1.00 0.00 C ATOM 587 O ASP A 570 10.064 -2.035 4.793 1.00 0.00 O ATOM 588 CB ASP A 570 12.687 -0.906 6.448 1.00 0.00 C ATOM 589 CG ASP A 570 14.163 -0.835 6.792 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.901 -1.773 6.428 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.578 0.157 7.427 1.00 0.00 O ATOM 0 H ASP A 570 12.664 -0.054 4.136 1.00 0.00 H new ATOM 0 HA ASP A 570 13.169 -2.597 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.318 0.097 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.132 -1.271 7.312 1.00 0.00 H new ATOM 596 N GLU A 571 10.983 -3.524 6.208 1.00 0.00 N ATOM 597 CA GLU A 571 9.735 -4.243 6.436 1.00 0.00 C ATOM 598 C GLU A 571 8.744 -3.381 7.213 1.00 0.00 C ATOM 599 O GLU A 571 7.557 -3.342 6.896 1.00 0.00 O ATOM 600 CB GLU A 571 10.001 -5.545 7.194 1.00 0.00 C ATOM 601 CG GLU A 571 10.650 -5.336 8.551 1.00 0.00 C ATOM 602 CD GLU A 571 10.981 -6.643 9.246 1.00 0.00 C ATOM 603 OE1 GLU A 571 10.037 -7.361 9.639 1.00 0.00 O ATOM 604 OE2 GLU A 571 12.183 -6.947 9.399 1.00 0.00 O ATOM 0 H GLU A 571 11.784 -3.898 6.717 1.00 0.00 H new ATOM 0 HA GLU A 571 9.300 -4.480 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 571 9.059 -6.076 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 571 10.643 -6.184 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 571 11.563 -4.753 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 571 9.982 -4.751 9.183 1.00 0.00 H new ATOM 611 N ASN A 572 9.243 -2.693 8.235 1.00 0.00 N ATOM 612 CA ASN A 572 8.403 -1.833 9.060 1.00 0.00 C ATOM 613 C ASN A 572 7.585 -0.879 8.194 1.00 0.00 C ATOM 614 O ASN A 572 6.447 -0.547 8.523 1.00 0.00 O ATOM 615 CB ASN A 572 9.263 -1.036 10.043 1.00 0.00 C ATOM 616 CG ASN A 572 10.022 -1.931 11.004 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.424 -2.709 11.748 1.00 0.00 O ATOM 618 ND2 ASN A 572 11.345 -1.824 10.992 1.00 0.00 N ATOM 0 H ASN A 572 10.225 -2.714 8.511 1.00 0.00 H new ATOM 0 HA ASN A 572 7.716 -2.467 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.971 -0.422 9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.627 -0.356 10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 572 11.909 -2.400 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 572 11.798 -1.165 10.358 1.00 0.00 H new ATOM 625 N ALA A 573 8.173 -0.443 7.085 1.00 0.00 N ATOM 626 CA ALA A 573 7.499 0.469 6.171 1.00 0.00 C ATOM 627 C ALA A 573 6.095 -0.025 5.838 1.00 0.00 C ATOM 628 O ALA A 573 5.230 0.755 5.438 1.00 0.00 O ATOM 629 CB ALA A 573 8.315 0.641 4.898 1.00 0.00 C ATOM 0 H ALA A 573 9.115 -0.707 6.798 1.00 0.00 H new ATOM 0 HA ALA A 573 7.408 1.436 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.799 1.325 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.296 1.047 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.436 -0.326 4.410 1.00 0.00 H new ATOM 635 N VAL A 574 5.875 -1.326 6.005 1.00 0.00 N ATOM 636 CA VAL A 574 4.576 -1.924 5.722 1.00 0.00 C ATOM 637 C VAL A 574 3.711 -1.975 6.976 1.00 0.00 C ATOM 638 O VAL A 574 4.133 -2.483 8.015 1.00 0.00 O ATOM 639 CB VAL A 574 4.725 -3.348 5.156 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.368 -3.911 4.759 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.680 -3.354 3.973 1.00 0.00 C ATOM 0 H VAL A 574 6.580 -1.985 6.335 1.00 0.00 H new ATOM 0 HA VAL A 574 4.093 -1.294 4.976 1.00 0.00 H new ATOM 0 HB VAL A 574 5.143 -3.987 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.494 -4.918 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.718 -3.945 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.918 -3.274 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.773 -4.369 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.294 -2.701 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.659 -2.997 4.294 1.00 0.00 H new ATOM 651 N HIS A 575 2.496 -1.445 6.872 1.00 0.00 N ATOM 652 CA HIS A 575 1.569 -1.430 7.998 1.00 0.00 C ATOM 653 C HIS A 575 0.305 -2.220 7.671 1.00 0.00 C ATOM 654 O HIS A 575 -0.549 -1.759 6.914 1.00 0.00 O ATOM 655 CB HIS A 575 1.204 0.007 8.368 1.00 0.00 C ATOM 656 CG HIS A 575 2.325 0.762 9.016 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.126 1.698 10.009 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.661 0.713 8.809 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.293 2.193 10.384 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.241 1.611 9.671 1.00 0.00 N ATOM 0 H HIS A 575 2.131 -1.020 6.020 1.00 0.00 H new ATOM 0 HA HIS A 575 2.062 -1.901 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.892 0.537 7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.348 -0.006 9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.176 0.084 8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.446 2.945 11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.241 1.798 9.748 1.00 0.00 H new ATOM 668 N VAL A 576 0.193 -3.413 8.246 1.00 0.00 N ATOM 669 CA VAL A 576 -0.967 -4.266 8.016 1.00 0.00 C ATOM 670 C VAL A 576 -2.116 -3.895 8.948 1.00 0.00 C ATOM 671 O VAL A 576 -1.966 -3.903 10.170 1.00 0.00 O ATOM 672 CB VAL A 576 -0.618 -5.753 8.217 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.861 -6.618 8.068 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.461 -6.184 7.235 1.00 0.00 C ATOM 0 H VAL A 576 0.891 -3.811 8.874 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.276 -4.109 6.983 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.232 -5.884 9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.595 -7.665 8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.600 -6.324 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.279 -6.485 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.695 -7.237 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.104 -6.039 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.358 -5.585 7.394 1.00 0.00 H new ATOM 684 N LEU A 577 -3.264 -3.571 8.362 1.00 0.00 N ATOM 685 CA LEU A 577 -4.440 -3.197 9.139 1.00 0.00 C ATOM 686 C LEU A 577 -4.982 -4.392 9.916 1.00 0.00 C ATOM 687 O LEU A 577 -4.542 -5.525 9.720 1.00 0.00 O ATOM 688 CB LEU A 577 -5.526 -2.637 8.219 1.00 0.00 C ATOM 689 CG LEU A 577 -5.241 -1.271 7.596 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.352 -0.879 6.634 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.075 -0.215 8.680 1.00 0.00 C ATOM 0 H LEU A 577 -3.405 -3.560 7.352 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.144 -2.428 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.696 -3.352 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.454 -2.568 8.786 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.309 -1.337 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.131 0.096 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.424 -1.621 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.299 -0.831 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -4.873 0.752 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -5.990 -0.151 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.243 -0.488 9.330 1.00 0.00 H new ATOM 809 N GLY A 586 -7.762 -7.592 5.014 1.00 0.00 N ATOM 810 CA GLY A 586 -7.179 -7.765 3.696 1.00 0.00 C ATOM 811 C GLY A 586 -6.632 -6.469 3.131 1.00 0.00 C ATOM 812 O GLY A 586 -6.642 -6.260 1.918 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.377 -8.501 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.933 -8.164 3.018 1.00 0.00 H new ATOM 816 N GLN A 587 -6.156 -5.595 4.012 1.00 0.00 N ATOM 817 CA GLN A 587 -5.605 -4.312 3.594 1.00 0.00 C ATOM 818 C GLN A 587 -4.244 -4.067 4.239 1.00 0.00 C ATOM 819 O GLN A 587 -4.080 -4.235 5.446 1.00 0.00 O ATOM 820 CB GLN A 587 -6.565 -3.178 3.956 1.00 0.00 C ATOM 821 CG GLN A 587 -7.719 -3.021 2.978 1.00 0.00 C ATOM 822 CD GLN A 587 -8.761 -2.031 3.458 1.00 0.00 C ATOM 823 OE1 GLN A 587 -9.143 -1.113 2.731 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.227 -2.213 4.688 1.00 0.00 N ATOM 0 H GLN A 587 -6.141 -5.752 5.020 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.475 -4.337 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.967 -3.358 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.008 -2.242 4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.331 -2.694 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.191 -3.991 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -8.882 -2.987 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -9.930 -1.578 5.066 1.00 0.00 H new ATOM 833 N ALA A 588 -3.272 -3.669 3.424 1.00 0.00 N ATOM 834 CA ALA A 588 -1.926 -3.401 3.915 1.00 0.00 C ATOM 835 C ALA A 588 -1.376 -2.106 3.327 1.00 0.00 C ATOM 836 O ALA A 588 -1.557 -1.824 2.141 1.00 0.00 O ATOM 837 CB ALA A 588 -1.003 -4.565 3.590 1.00 0.00 C ATOM 0 H ALA A 588 -3.392 -3.525 2.421 1.00 0.00 H new ATOM 0 HA ALA A 588 -1.977 -3.285 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.001 -4.350 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.380 -5.471 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.965 -4.709 2.510 1.00 0.00 H new ATOM 843 N LEU A 589 -0.705 -1.321 4.162 1.00 0.00 N ATOM 844 CA LEU A 589 -0.128 -0.054 3.725 1.00 0.00 C ATOM 845 C LEU A 589 1.390 -0.156 3.614 1.00 0.00 C ATOM 846 O LEU A 589 2.002 -1.075 4.159 1.00 0.00 O ATOM 847 CB LEU A 589 -0.506 1.064 4.697 1.00 0.00 C ATOM 848 CG LEU A 589 -1.924 1.621 4.562 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.326 2.370 5.823 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.026 2.528 3.345 1.00 0.00 C ATOM 0 H LEU A 589 -0.547 -1.539 5.146 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.531 0.179 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.379 0.692 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.199 1.885 4.567 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.611 0.786 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.338 2.759 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.293 1.692 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.636 3.197 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.042 2.916 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.328 3.359 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.782 1.961 2.447 1.00 0.00 H new ATOM 862 N VAL A 590 1.992 0.796 2.908 1.00 0.00 N ATOM 863 CA VAL A 590 3.439 0.814 2.729 1.00 0.00 C ATOM 864 C VAL A 590 3.969 2.244 2.687 1.00 0.00 C ATOM 865 O VAL A 590 3.308 3.145 2.172 1.00 0.00 O ATOM 866 CB VAL A 590 3.855 0.086 1.437 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.341 -0.237 1.461 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.029 -1.177 1.248 1.00 0.00 C ATOM 0 H VAL A 590 1.501 1.564 2.451 1.00 0.00 H new ATOM 0 HA VAL A 590 3.870 0.294 3.584 1.00 0.00 H new ATOM 0 HB VAL A 590 3.665 0.746 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.617 -0.751 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.913 0.687 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.560 -0.879 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.336 -1.679 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.185 -1.844 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 590 1.973 -0.915 1.182 1.00 0.00 H new ATOM 878 N GLN A 591 5.164 2.442 3.231 1.00 0.00 N ATOM 879 CA GLN A 591 5.783 3.763 3.256 1.00 0.00 C ATOM 880 C GLN A 591 7.179 3.722 2.644 1.00 0.00 C ATOM 881 O GLN A 591 7.911 2.746 2.807 1.00 0.00 O ATOM 882 CB GLN A 591 5.858 4.287 4.690 1.00 0.00 C ATOM 883 CG GLN A 591 6.356 5.720 4.790 1.00 0.00 C ATOM 884 CD GLN A 591 6.965 6.035 6.142 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.937 5.209 7.056 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.521 7.233 6.277 1.00 0.00 N ATOM 0 H GLN A 591 5.724 1.706 3.661 1.00 0.00 H new ATOM 0 HA GLN A 591 5.165 4.437 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.869 4.223 5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.517 3.641 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 591 7.098 5.897 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.527 6.402 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.522 7.886 5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.947 7.500 7.164 1.00 0.00 H new ATOM 895 N PHE A 592 7.540 4.787 1.936 1.00 0.00 N ATOM 896 CA PHE A 592 8.849 4.872 1.297 1.00 0.00 C ATOM 897 C PHE A 592 9.527 6.200 1.621 1.00 0.00 C ATOM 898 O PHE A 592 8.926 7.086 2.229 1.00 0.00 O ATOM 899 CB PHE A 592 8.711 4.713 -0.218 1.00 0.00 C ATOM 900 CG PHE A 592 8.030 3.438 -0.628 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.723 2.239 -0.638 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.697 3.440 -1.003 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.100 1.064 -1.013 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.067 2.268 -1.379 1.00 0.00 C ATOM 905 CZ PHE A 592 6.770 1.079 -1.386 1.00 0.00 C ATOM 0 H PHE A 592 6.945 5.603 1.790 1.00 0.00 H new ATOM 0 HA PHE A 592 9.469 4.064 1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.149 5.559 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.702 4.748 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.763 2.222 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.143 4.367 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.652 0.136 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.026 2.282 -1.667 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.281 0.163 -1.682 1.00 0.00 H new ATOM 915 N LYS A 593 10.783 6.332 1.210 1.00 0.00 N ATOM 916 CA LYS A 593 11.545 7.551 1.454 1.00 0.00 C ATOM 917 C LYS A 593 11.262 8.594 0.377 1.00 0.00 C ATOM 918 O LYS A 593 11.103 9.778 0.673 1.00 0.00 O ATOM 919 CB LYS A 593 13.043 7.240 1.498 1.00 0.00 C ATOM 920 CG LYS A 593 13.477 6.512 2.758 1.00 0.00 C ATOM 921 CD LYS A 593 13.741 7.481 3.898 1.00 0.00 C ATOM 922 CE LYS A 593 14.074 6.746 5.188 1.00 0.00 C ATOM 923 NZ LYS A 593 12.889 6.031 5.739 1.00 0.00 N ATOM 0 H LYS A 593 11.296 5.609 0.706 1.00 0.00 H new ATOM 0 HA LYS A 593 11.236 7.957 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.305 6.635 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.602 8.172 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.704 5.802 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.379 5.935 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.565 8.142 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 593 12.865 8.110 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.876 6.031 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.445 7.457 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 13.100 5.701 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 12.075 6.677 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 12.664 5.215 5.135 1.00 0.00 H new ATOM 937 N ASN A 594 11.199 8.146 -0.872 1.00 0.00 N ATOM 938 CA ASN A 594 10.934 9.041 -1.992 1.00 0.00 C ATOM 939 C ASN A 594 10.142 8.327 -3.084 1.00 0.00 C ATOM 940 O ASN A 594 10.099 7.098 -3.129 1.00 0.00 O ATOM 941 CB ASN A 594 12.248 9.576 -2.567 1.00 0.00 C ATOM 942 CG ASN A 594 13.158 10.144 -1.495 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.131 11.343 -1.213 1.00 0.00 O ATOM 944 ND2 ASN A 594 13.971 9.285 -0.892 1.00 0.00 N ATOM 0 H ASN A 594 11.328 7.169 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 594 10.339 9.877 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.766 8.773 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.031 10.350 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.607 9.610 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 594 13.960 8.300 -1.157 1.00 0.00 H new ATOM 951 N GLU A 595 9.520 9.108 -3.963 1.00 0.00 N ATOM 952 CA GLU A 595 8.730 8.549 -5.053 1.00 0.00 C ATOM 953 C GLU A 595 9.506 7.456 -5.783 1.00 0.00 C ATOM 954 O GLU A 595 8.955 6.407 -6.117 1.00 0.00 O ATOM 955 CB GLU A 595 8.329 9.650 -6.037 1.00 0.00 C ATOM 956 CG GLU A 595 7.591 10.808 -5.389 1.00 0.00 C ATOM 957 CD GLU A 595 7.243 11.904 -6.376 1.00 0.00 C ATOM 958 OE1 GLU A 595 8.085 12.803 -6.588 1.00 0.00 O ATOM 959 OE2 GLU A 595 6.128 11.865 -6.937 1.00 0.00 O ATOM 0 H GLU A 595 9.548 10.127 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 595 7.830 8.107 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.225 10.031 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 595 7.699 9.218 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.676 10.437 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.206 11.225 -4.591 1.00 0.00 H new ATOM 966 N ASP A 596 10.787 7.711 -6.027 1.00 0.00 N ATOM 967 CA ASP A 596 11.639 6.749 -6.716 1.00 0.00 C ATOM 968 C ASP A 596 11.357 5.329 -6.235 1.00 0.00 C ATOM 969 O ASP A 596 11.479 4.370 -6.997 1.00 0.00 O ATOM 970 CB ASP A 596 13.114 7.093 -6.495 1.00 0.00 C ATOM 971 CG ASP A 596 13.472 8.471 -7.016 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.228 8.734 -8.213 1.00 0.00 O ATOM 973 OD2 ASP A 596 13.995 9.285 -6.228 1.00 0.00 O ATOM 0 H ASP A 596 11.258 8.575 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 596 11.417 6.802 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.341 7.040 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.736 6.348 -6.991 1.00 0.00 H new ATOM 978 N ASP A 597 10.980 5.204 -4.968 1.00 0.00 N ATOM 979 CA ASP A 597 10.680 3.902 -4.385 1.00 0.00 C ATOM 980 C ASP A 597 9.187 3.603 -4.460 1.00 0.00 C ATOM 981 O ASP A 597 8.777 2.444 -4.517 1.00 0.00 O ATOM 982 CB ASP A 597 11.151 3.849 -2.930 1.00 0.00 C ATOM 983 CG ASP A 597 12.587 3.382 -2.803 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.915 2.313 -3.359 1.00 0.00 O ATOM 985 OD2 ASP A 597 13.384 4.084 -2.145 1.00 0.00 O ATOM 0 H ASP A 597 10.875 5.989 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 597 11.213 3.144 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 597 11.053 4.838 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.503 3.179 -2.366 1.00 0.00 H new ATOM 990 N ALA A 598 8.377 4.657 -4.459 1.00 0.00 N ATOM 991 CA ALA A 598 6.929 4.508 -4.527 1.00 0.00 C ATOM 992 C ALA A 598 6.486 4.078 -5.922 1.00 0.00 C ATOM 993 O ALA A 598 5.785 3.079 -6.081 1.00 0.00 O ATOM 994 CB ALA A 598 6.245 5.809 -4.133 1.00 0.00 C ATOM 0 H ALA A 598 8.700 5.623 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 598 6.636 3.728 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.164 5.683 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.528 6.075 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.553 6.603 -4.814 1.00 0.00 H new ATOM 1000 N ARG A 599 6.901 4.839 -6.930 1.00 0.00 N ATOM 1001 CA ARG A 599 6.547 4.537 -8.311 1.00 0.00 C ATOM 1002 C ARG A 599 6.668 3.042 -8.589 1.00 0.00 C ATOM 1003 O ARG A 599 5.793 2.442 -9.216 1.00 0.00 O ATOM 1004 CB ARG A 599 7.443 5.320 -9.273 1.00 0.00 C ATOM 1005 CG ARG A 599 7.139 6.808 -9.314 1.00 0.00 C ATOM 1006 CD ARG A 599 6.063 7.130 -10.339 1.00 0.00 C ATOM 1007 NE ARG A 599 5.510 8.467 -10.151 1.00 0.00 N ATOM 1008 CZ ARG A 599 4.723 9.069 -11.036 1.00 0.00 C ATOM 1009 NH1 ARG A 599 4.399 8.454 -12.165 1.00 0.00 N ATOM 1010 NH2 ARG A 599 4.259 10.288 -10.793 1.00 0.00 N ATOM 0 H ARG A 599 7.483 5.669 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 599 5.510 4.835 -8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.484 5.178 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.333 4.908 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.815 7.141 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.048 7.359 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 599 6.482 7.049 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 599 5.263 6.394 -10.268 1.00 0.00 H new ATOM 0 HE ARG A 599 5.740 8.967 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 599 4.754 7.517 -12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 599 3.795 8.918 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 599 4.506 10.764 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 599 3.655 10.749 -11.474 1.00 0.00 H new ATOM 1024 N LYS A 600 7.758 2.443 -8.120 1.00 0.00 N ATOM 1025 CA LYS A 600 7.993 1.018 -8.317 1.00 0.00 C ATOM 1026 C LYS A 600 6.758 0.206 -7.943 1.00 0.00 C ATOM 1027 O LYS A 600 6.390 -0.739 -8.642 1.00 0.00 O ATOM 1028 CB LYS A 600 9.191 0.560 -7.483 1.00 0.00 C ATOM 1029 CG LYS A 600 10.533 0.936 -8.086 1.00 0.00 C ATOM 1030 CD LYS A 600 11.594 1.126 -7.014 1.00 0.00 C ATOM 1031 CE LYS A 600 12.980 0.780 -7.535 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.521 1.847 -8.422 1.00 0.00 N ATOM 0 H LYS A 600 8.493 2.923 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 600 8.208 0.852 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.116 0.994 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.147 -0.522 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.851 0.158 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.429 1.855 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.582 2.159 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.360 0.499 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.657 0.629 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.938 -0.161 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.467 1.574 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.889 1.974 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.586 2.739 -7.892 1.00 0.00 H new ATOM 1046 N SER A 601 6.121 0.580 -6.838 1.00 0.00 N ATOM 1047 CA SER A 601 4.928 -0.116 -6.370 1.00 0.00 C ATOM 1048 C SER A 601 3.841 -0.110 -7.441 1.00 0.00 C ATOM 1049 O SER A 601 3.136 -1.101 -7.629 1.00 0.00 O ATOM 1050 CB SER A 601 4.402 0.534 -5.089 1.00 0.00 C ATOM 1051 OG SER A 601 3.719 1.742 -5.374 1.00 0.00 O ATOM 0 H SER A 601 6.411 1.361 -6.250 1.00 0.00 H new ATOM 0 HA SER A 601 5.200 -1.150 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 601 3.730 -0.155 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.232 0.733 -4.411 1.00 0.00 H new ATOM 0 HG SER A 601 4.370 2.460 -5.519 1.00 0.00 H new ATOM 1057 N GLU A 602 3.713 1.013 -8.139 1.00 0.00 N ATOM 1058 CA GLU A 602 2.712 1.149 -9.190 1.00 0.00 C ATOM 1059 C GLU A 602 2.963 0.146 -10.312 1.00 0.00 C ATOM 1060 O GLU A 602 2.029 -0.302 -10.979 1.00 0.00 O ATOM 1061 CB GLU A 602 2.718 2.573 -9.751 1.00 0.00 C ATOM 1062 CG GLU A 602 2.098 3.598 -8.817 1.00 0.00 C ATOM 1063 CD GLU A 602 2.183 5.011 -9.362 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.302 5.394 -10.159 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.134 5.731 -8.991 1.00 0.00 O ATOM 0 H GLU A 602 4.290 1.842 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 602 1.734 0.943 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 602 3.746 2.865 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.178 2.584 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 602 1.053 3.341 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 602 2.601 3.554 -7.851 1.00 0.00 H new ATOM 1072 N ARG A 603 4.228 -0.201 -10.517 1.00 0.00 N ATOM 1073 CA ARG A 603 4.604 -1.148 -11.559 1.00 0.00 C ATOM 1074 C ARG A 603 3.992 -2.521 -11.292 1.00 0.00 C ATOM 1075 O ARG A 603 3.639 -3.247 -12.222 1.00 0.00 O ATOM 1076 CB ARG A 603 6.126 -1.265 -11.649 1.00 0.00 C ATOM 1077 CG ARG A 603 6.604 -2.108 -12.820 1.00 0.00 C ATOM 1078 CD ARG A 603 6.690 -1.288 -14.098 1.00 0.00 C ATOM 1079 NE ARG A 603 6.477 -2.106 -15.289 1.00 0.00 N ATOM 1080 CZ ARG A 603 5.336 -2.733 -15.554 1.00 0.00 C ATOM 1081 NH1 ARG A 603 4.312 -2.636 -14.719 1.00 0.00 N ATOM 1082 NH2 ARG A 603 5.219 -3.460 -16.659 1.00 0.00 N ATOM 0 H ARG A 603 5.012 0.160 -9.974 1.00 0.00 H new ATOM 0 HA ARG A 603 4.220 -0.776 -12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.554 -0.266 -11.733 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.504 -1.698 -10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.582 -2.530 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.923 -2.946 -12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 603 5.947 -0.491 -14.068 1.00 0.00 H new ATOM 0 HD3 ARG A 603 7.668 -0.810 -14.157 1.00 0.00 H new ATOM 0 HE ARG A 603 7.245 -2.201 -15.953 1.00 0.00 H new ATOM 0 HH11 ARG A 603 4.398 -2.078 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 603 3.438 -3.119 -14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 603 6.005 -3.537 -17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 603 4.343 -3.941 -16.862 1.00 0.00 H new ATOM 1096 N LEU A 604 3.871 -2.869 -10.016 1.00 0.00 N ATOM 1097 CA LEU A 604 3.303 -4.155 -9.625 1.00 0.00 C ATOM 1098 C LEU A 604 1.782 -4.072 -9.529 1.00 0.00 C ATOM 1099 O LEU A 604 1.132 -4.983 -9.016 1.00 0.00 O ATOM 1100 CB LEU A 604 3.886 -4.607 -8.285 1.00 0.00 C ATOM 1101 CG LEU A 604 5.390 -4.882 -8.267 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.865 -5.154 -6.848 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.730 -6.052 -9.178 1.00 0.00 C ATOM 0 H LEU A 604 4.158 -2.280 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 604 3.561 -4.886 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.668 -3.842 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.367 -5.513 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 604 5.906 -3.997 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.938 -5.348 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.657 -4.286 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.342 -6.023 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.805 -6.233 -9.152 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.204 -6.944 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.426 -5.819 -10.198 1.00 0.00 H new ATOM 1115 N HIS A 605 1.222 -2.974 -10.026 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.222 -2.773 -9.999 1.00 0.00 C ATOM 1117 C HIS A 605 -0.939 -3.873 -10.777 1.00 0.00 C ATOM 1118 O HIS A 605 -0.408 -4.401 -11.755 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.579 -1.405 -10.581 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.050 -1.119 -10.582 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.841 -1.242 -9.459 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.872 -0.714 -11.577 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.086 -0.924 -9.764 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.133 -0.600 -11.043 1.00 0.00 N ATOM 0 H HIS A 605 1.746 -2.210 -10.452 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.550 -2.814 -8.960 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.067 -0.631 -10.009 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.205 -1.345 -11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.590 -0.517 -12.601 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.924 -0.928 -9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -4.969 -0.312 -11.552 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.145 -4.213 -10.336 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.933 -5.251 -10.990 1.00 0.00 C ATOM 1134 C ARG A 606 -2.134 -6.545 -11.109 1.00 0.00 C ATOM 1135 O ARG A 606 -2.219 -7.251 -12.115 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.379 -4.785 -12.377 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.613 -3.898 -12.354 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.066 -3.536 -13.760 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.353 -4.720 -14.565 1.00 0.00 N ATOM 1140 CZ ARG A 606 -5.918 -4.674 -15.766 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -6.254 -3.506 -16.299 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -6.147 -5.795 -16.437 1.00 0.00 N ATOM 0 H ARG A 606 -2.598 -3.785 -9.529 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.814 -5.443 -10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.560 -4.242 -12.849 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.581 -5.659 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.421 -4.410 -11.831 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.398 -2.988 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.957 -2.911 -13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.292 -2.944 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 606 -5.106 -5.633 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -6.078 -2.642 -15.786 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -6.688 -3.472 -17.222 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -5.889 -6.694 -16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -6.581 -5.758 -17.359 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.358 -6.853 -10.076 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.544 -8.063 -10.062 1.00 0.00 C ATOM 1158 C LYS A 607 -1.318 -9.233 -9.463 1.00 0.00 C ATOM 1159 O LYS A 607 -2.357 -9.045 -8.830 1.00 0.00 O ATOM 1160 CB LYS A 607 0.742 -7.827 -9.268 1.00 0.00 C ATOM 1161 CG LYS A 607 1.884 -7.280 -10.105 1.00 0.00 C ATOM 1162 CD LYS A 607 2.483 -8.352 -11.001 1.00 0.00 C ATOM 1163 CE LYS A 607 3.350 -9.318 -10.209 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.465 -10.641 -10.883 1.00 0.00 N ATOM 0 H LYS A 607 -1.275 -6.280 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.287 -8.311 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.534 -7.132 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 607 1.055 -8.766 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.524 -6.453 -10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.657 -6.879 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.683 -8.902 -11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 607 3.080 -7.883 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.344 -8.890 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.927 -9.453 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.064 -11.271 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.519 -11.062 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.892 -10.516 -11.823 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.805 -10.441 -9.665 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.445 -11.642 -9.143 1.00 0.00 C ATOM 1180 C LYS A 608 -0.680 -12.189 -7.942 1.00 0.00 C ATOM 1181 O LYS A 608 0.408 -12.748 -8.088 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.535 -12.712 -10.234 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.437 -12.325 -11.392 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.513 -13.429 -12.433 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.093 -12.921 -13.744 1.00 0.00 C ATOM 1186 NZ LYS A 608 -2.034 -12.406 -14.656 1.00 0.00 N ATOM 0 H LYS A 608 0.054 -10.615 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.451 -11.375 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.534 -12.915 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.902 -13.639 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.437 -12.107 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.064 -11.412 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.517 -13.835 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.128 -14.246 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.637 -13.727 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.813 -12.129 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -2.469 -12.069 -15.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -1.532 -11.620 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -1.361 -13.169 -14.872 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.254 -12.025 -6.755 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.626 -12.504 -5.528 1.00 0.00 C ATOM 1202 C LEU A 609 -1.307 -13.773 -5.028 1.00 0.00 C ATOM 1203 O LEU A 609 -2.430 -13.730 -4.525 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.681 -11.422 -4.449 1.00 0.00 C ATOM 1205 CG LEU A 609 0.288 -11.592 -3.277 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.074 -10.497 -2.244 1.00 0.00 C ATOM 1207 CD2 LEU A 609 0.121 -12.966 -2.644 1.00 0.00 C ATOM 0 H LEU A 609 -2.153 -11.564 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 609 0.416 -12.736 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.486 -10.458 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.696 -11.384 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 609 1.306 -11.510 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.772 -10.634 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.244 -9.524 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.948 -10.547 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.818 -13.070 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -0.900 -13.077 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 609 0.326 -13.736 -3.387 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.620 -14.902 -5.166 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.159 -16.184 -4.726 1.00 0.00 C ATOM 1221 C ASN A 610 -2.453 -16.512 -5.463 1.00 0.00 C ATOM 1222 O ASN A 610 -3.299 -17.248 -4.956 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.409 -16.164 -3.216 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.152 -16.457 -2.419 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.788 -17.072 -2.923 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.130 -16.017 -1.167 1.00 0.00 N ATOM 0 H ASN A 610 0.311 -14.955 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.426 -16.957 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.800 -15.188 -2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.174 -16.900 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.689 -16.184 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -0.932 -15.511 -0.790 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.602 -15.959 -6.663 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.796 -16.205 -7.451 1.00 0.00 C ATOM 1235 C GLY A 611 -4.900 -15.209 -7.155 1.00 0.00 C ATOM 1236 O GLY A 611 -6.071 -15.471 -7.431 1.00 0.00 O ATOM 0 H GLY A 611 -1.917 -15.345 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.544 -16.160 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.158 -17.214 -7.252 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.527 -14.066 -6.592 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.496 -13.028 -6.256 1.00 0.00 C ATOM 1242 C ARG A 612 -5.010 -11.659 -6.721 1.00 0.00 C ATOM 1243 O ARG A 612 -3.982 -11.165 -6.260 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.748 -13.006 -4.747 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.430 -14.259 -4.225 1.00 0.00 C ATOM 1246 CD ARG A 612 -5.417 -15.319 -3.824 1.00 0.00 C ATOM 1247 NE ARG A 612 -5.985 -16.302 -2.905 1.00 0.00 N ATOM 1248 CZ ARG A 612 -6.897 -17.200 -3.261 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -7.340 -17.241 -4.509 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -7.366 -18.060 -2.367 1.00 0.00 N ATOM 0 H ARG A 612 -3.562 -13.834 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.429 -13.257 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.797 -12.878 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.362 -12.140 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.052 -14.005 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.093 -14.660 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -5.052 -15.827 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -4.557 -14.840 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 612 -5.664 -16.299 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -6.981 -16.582 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -8.040 -17.932 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -7.027 -18.032 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -8.066 -18.749 -2.641 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.755 -11.053 -7.640 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.399 -9.742 -8.169 1.00 0.00 C ATOM 1266 C GLU A 613 -5.310 -8.709 -7.049 1.00 0.00 C ATOM 1267 O GLU A 613 -6.239 -8.555 -6.257 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.424 -9.292 -9.212 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.467 -10.178 -10.446 1.00 0.00 C ATOM 1270 CD GLU A 613 -5.442 -9.776 -11.488 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -4.264 -9.589 -11.122 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -5.819 -9.649 -12.672 1.00 0.00 O ATOM 0 H GLU A 613 -6.609 -11.449 -8.033 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.421 -9.824 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.413 -9.274 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.196 -8.271 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.294 -11.213 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.463 -10.134 -10.886 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.185 -8.005 -6.989 1.00 0.00 N ATOM 1280 CA ALA A 614 -3.974 -6.986 -5.968 1.00 0.00 C ATOM 1281 C ALA A 614 -3.929 -5.592 -6.584 1.00 0.00 C ATOM 1282 O ALA A 614 -3.429 -5.408 -7.694 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.690 -7.267 -5.200 1.00 0.00 C ATOM 0 H ALA A 614 -3.405 -8.122 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.815 -7.021 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.545 -6.499 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.759 -8.243 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -1.845 -7.261 -5.889 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.459 -4.613 -5.859 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.481 -3.235 -6.334 1.00 0.00 C ATOM 1291 C PHE A 615 -3.583 -2.348 -5.476 1.00 0.00 C ATOM 1292 O PHE A 615 -3.756 -2.261 -4.261 1.00 0.00 O ATOM 1293 CB PHE A 615 -5.912 -2.693 -6.324 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.835 -3.417 -7.263 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.480 -3.617 -8.587 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.055 -3.899 -6.820 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.327 -4.283 -9.452 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.906 -4.566 -7.681 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.542 -4.759 -8.999 1.00 0.00 C ATOM 0 H PHE A 615 -4.879 -4.749 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.102 -3.224 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.310 -2.761 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.893 -1.636 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.531 -3.248 -8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.345 -3.752 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.039 -4.431 -10.482 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -9.855 -4.936 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.205 -5.280 -9.673 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.624 -1.690 -6.120 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.698 -0.808 -5.417 1.00 0.00 C ATOM 1311 C VAL A 616 -1.973 0.654 -5.749 1.00 0.00 C ATOM 1312 O VAL A 616 -1.779 1.090 -6.885 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.235 -1.138 -5.768 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.717 -0.308 -4.919 1.00 0.00 C ATOM 1315 CG2 VAL A 616 0.034 -2.623 -5.588 1.00 0.00 C ATOM 0 H VAL A 616 -2.468 -1.751 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 616 -1.853 -0.970 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.065 -0.886 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.746 -0.554 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.539 0.752 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.548 -0.526 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 616 1.072 -2.838 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.153 -2.904 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.624 -3.194 -6.243 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.425 1.407 -4.751 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.724 2.823 -4.937 1.00 0.00 C ATOM 1327 C HIS A 617 -1.610 3.694 -4.366 1.00 0.00 C ATOM 1328 O HIS A 617 -0.889 3.281 -3.458 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.056 3.174 -4.272 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.250 2.659 -5.012 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.645 1.338 -4.977 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.141 3.295 -5.809 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.726 1.184 -5.722 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.046 2.357 -6.238 1.00 0.00 N ATOM 0 H HIS A 617 -2.592 1.061 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.798 3.017 -6.007 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.065 2.770 -3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.134 4.258 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.140 4.345 -6.060 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.257 0.257 -5.882 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.838 2.537 -6.855 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.474 4.900 -4.906 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.447 5.830 -4.449 1.00 0.00 C ATOM 1344 C VAL A 618 -1.065 7.011 -3.710 1.00 0.00 C ATOM 1345 O VAL A 618 -1.797 7.810 -4.294 1.00 0.00 O ATOM 1346 CB VAL A 618 0.393 6.359 -5.626 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.415 7.375 -5.139 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.078 5.210 -6.351 1.00 0.00 C ATOM 0 H VAL A 618 -2.061 5.257 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 618 0.201 5.278 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.274 6.857 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 618 1.999 7.738 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.900 8.212 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.079 6.904 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.667 5.602 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.733 4.682 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.325 4.522 -6.735 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.764 7.117 -2.419 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.289 8.202 -1.599 1.00 0.00 C ATOM 1360 C VAL A 619 -0.172 8.900 -0.831 1.00 0.00 C ATOM 1361 O VAL A 619 0.944 8.387 -0.731 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.342 7.690 -0.598 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.584 7.206 -1.332 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.761 6.585 0.269 1.00 0.00 C ATOM 0 H VAL A 619 -0.160 6.465 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.759 8.913 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.631 8.515 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.317 6.848 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -4.011 8.029 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.314 6.394 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.519 6.236 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.442 5.756 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.905 6.969 0.823 1.00 0.00 H new ATOM 1374 N THR A 620 -0.479 10.073 -0.286 1.00 0.00 N ATOM 1375 CA THR A 620 0.500 10.842 0.473 1.00 0.00 C ATOM 1376 C THR A 620 0.551 10.385 1.926 1.00 0.00 C ATOM 1377 O THR A 620 -0.415 9.823 2.445 1.00 0.00 O ATOM 1378 CB THR A 620 0.183 12.350 0.432 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.096 12.598 1.027 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.191 12.866 -0.999 1.00 0.00 C ATOM 0 H THR A 620 -1.397 10.511 -0.356 1.00 0.00 H new ATOM 0 HA THR A 620 1.470 10.668 0.006 1.00 0.00 H new ATOM 0 HB THR A 620 0.954 12.876 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.804 12.347 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.035 13.932 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.175 12.702 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.561 12.334 -1.582 1.00 0.00 H new ATOM 1388 N LEU A 621 1.682 10.627 2.578 1.00 0.00 N ATOM 1389 CA LEU A 621 1.859 10.241 3.974 1.00 0.00 C ATOM 1390 C LEU A 621 0.657 10.663 4.813 1.00 0.00 C ATOM 1391 O LEU A 621 0.137 9.879 5.605 1.00 0.00 O ATOM 1392 CB LEU A 621 3.135 10.868 4.539 1.00 0.00 C ATOM 1393 CG LEU A 621 3.461 10.531 5.995 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.127 9.076 6.294 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.925 10.816 6.294 1.00 0.00 C ATOM 0 H LEU A 621 2.491 11.089 2.163 1.00 0.00 H new ATOM 0 HA LEU A 621 1.945 9.155 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.975 10.556 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.055 11.951 4.447 1.00 0.00 H new ATOM 0 HG LEU A 621 2.850 11.163 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.365 8.854 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.065 8.903 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.711 8.427 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.138 10.570 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.554 10.210 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.133 11.872 6.121 1.00 0.00 H new ATOM 1407 N GLU A 622 0.221 11.905 4.630 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.921 12.430 5.369 1.00 0.00 C ATOM 1409 C GLU A 622 -2.156 11.559 5.154 1.00 0.00 C ATOM 1410 O GLU A 622 -2.901 11.278 6.091 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.216 13.869 4.941 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.981 14.669 5.983 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.301 16.076 5.517 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.440 16.278 4.293 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -2.412 16.975 6.377 1.00 0.00 O ATOM 0 H GLU A 622 0.641 12.566 3.977 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.671 12.419 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.275 14.375 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.789 13.853 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.909 14.150 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -1.395 14.718 6.901 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.364 11.137 3.911 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.507 10.299 3.570 1.00 0.00 C ATOM 1424 C ASP A 623 -3.393 8.929 4.233 1.00 0.00 C ATOM 1425 O ASP A 623 -4.365 8.412 4.783 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.616 10.138 2.054 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.063 11.413 1.367 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.010 12.056 1.867 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.465 11.770 0.330 1.00 0.00 O ATOM 0 H ASP A 623 -1.756 11.362 3.124 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.408 10.789 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.649 9.833 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.322 9.339 1.826 1.00 0.00 H new ATOM 1434 N MET A 624 -2.200 8.347 4.175 1.00 0.00 N ATOM 1435 CA MET A 624 -1.958 7.038 4.769 1.00 0.00 C ATOM 1436 C MET A 624 -2.207 7.069 6.273 1.00 0.00 C ATOM 1437 O MET A 624 -2.911 6.215 6.813 1.00 0.00 O ATOM 1438 CB MET A 624 -0.526 6.583 4.487 1.00 0.00 C ATOM 1439 CG MET A 624 -0.320 5.085 4.652 1.00 0.00 C ATOM 1440 SD MET A 624 1.422 4.624 4.697 1.00 0.00 S ATOM 1441 CE MET A 624 1.636 4.274 6.441 1.00 0.00 C ATOM 0 H MET A 624 -1.385 8.762 3.722 1.00 0.00 H new ATOM 0 HA MET A 624 -2.652 6.329 4.318 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.256 6.869 3.470 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.153 7.111 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.803 4.755 5.572 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.809 4.562 3.830 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.667 3.974 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.407 5.167 7.022 1.00 0.00 H new ATOM 0 HE3 MET A 624 0.964 3.467 6.735 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.627 8.057 6.945 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.785 8.199 8.388 1.00 0.00 C ATOM 1453 C ARG A 625 -3.259 8.157 8.779 1.00 0.00 C ATOM 1454 O ARG A 625 -3.625 7.562 9.792 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.157 9.509 8.865 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.628 9.448 10.289 1.00 0.00 C ATOM 1457 CD ARG A 625 0.771 8.855 10.339 1.00 0.00 C ATOM 1458 NE ARG A 625 1.366 8.966 11.668 1.00 0.00 N ATOM 1459 CZ ARG A 625 2.543 8.443 11.992 1.00 0.00 C ATOM 1460 NH1 ARG A 625 3.249 7.779 11.088 1.00 0.00 N ATOM 1461 NH2 ARG A 625 3.017 8.586 13.223 1.00 0.00 N ATOM 0 H ARG A 625 -1.042 8.773 6.513 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.275 7.364 8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.340 9.776 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.899 10.304 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.615 10.451 10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -1.300 8.849 10.903 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.730 7.806 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 625 1.406 9.364 9.614 1.00 0.00 H new ATOM 0 HE ARG A 625 0.849 9.473 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 625 2.889 7.668 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 625 4.153 7.379 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 625 2.477 9.098 13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 625 3.921 8.184 13.471 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.101 8.792 7.969 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.533 8.828 8.232 1.00 0.00 C ATOM 1477 C GLU A 626 -6.149 7.440 8.083 1.00 0.00 C ATOM 1478 O GLU A 626 -6.862 6.966 8.968 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.225 9.809 7.283 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.190 11.249 7.764 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.785 12.216 6.758 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -6.391 12.155 5.574 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.644 13.031 7.154 1.00 0.00 O ATOM 0 H GLU A 626 -3.815 9.288 7.125 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.679 9.163 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.750 9.750 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.263 9.504 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.736 11.327 8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.158 11.534 7.970 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.869 6.792 6.957 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.394 5.458 6.691 1.00 0.00 C ATOM 1492 C ILE A 627 -6.038 4.494 7.817 1.00 0.00 C ATOM 1493 O ILE A 627 -6.882 3.728 8.281 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.859 4.897 5.360 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.225 5.831 4.205 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.409 3.501 5.115 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.586 5.443 2.889 1.00 0.00 C ATOM 0 H ILE A 627 -5.281 7.169 6.214 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.478 5.552 6.625 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.773 4.832 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.308 5.840 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.924 6.847 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.022 3.118 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.103 2.842 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.497 3.541 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.889 6.148 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.501 5.462 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.907 4.439 2.611 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.783 4.539 8.253 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.316 3.668 9.325 1.00 0.00 C ATOM 1511 C GLU A 628 -5.170 3.841 10.577 1.00 0.00 C ATOM 1512 O GLU A 628 -5.780 2.888 11.064 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.850 3.964 9.650 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.193 2.904 10.519 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.165 1.541 9.855 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.188 1.487 8.608 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.121 0.528 10.584 1.00 0.00 O ATOM 0 H GLU A 628 -4.072 5.169 7.881 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.405 2.636 8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.291 4.055 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.786 4.927 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -1.174 3.211 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.729 2.832 11.465 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.209 5.065 11.095 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.989 5.365 12.290 1.00 0.00 C ATOM 1526 C LYS A 629 -7.448 4.963 12.103 1.00 0.00 C ATOM 1527 O LYS A 629 -8.018 4.256 12.933 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.899 6.856 12.621 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.483 7.334 12.894 1.00 0.00 C ATOM 1530 CD LYS A 629 -4.469 8.531 13.830 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.473 8.099 15.287 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.915 9.198 16.191 1.00 0.00 N ATOM 0 H LYS A 629 -4.710 5.865 10.706 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.575 4.789 13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.314 7.429 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.518 7.064 13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -3.902 6.522 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.000 7.601 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -3.586 9.139 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -5.338 9.158 13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -5.133 7.241 15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -3.472 7.775 15.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -4.904 8.863 17.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -4.270 10.008 16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.880 9.491 15.936 1.00 0.00 H new