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= -4.35 F(o=-6.8!,f=-4.4) USER MOD Set 1.2: A 587 GLN :FLIP amide:sc= 0 F(o=-5.3,f=-4.4) USER MOD Set 2.1: A 545 CYS SG : rot 18:sc= -1.91 USER MOD Set 2.2: A 624 MET CE :methyl -160:sc= -0.0174 (180deg=-0.186) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.098 K(o=-0.098,f=-3!) 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+ -155:sc= -0.824 (180deg=-1.68) USER MOD Single : A 558 MET CE :methyl -123:sc= 0 (180deg=-0.123) USER MOD Single : A 562 GLN : amide:sc=-0.000339 X(o=-0.00034,f=-0.25) USER MOD Single : A 572 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.61) USER MOD Single : A 575 HIS :FLIP no HD1:sc= -0.0362 F(o=-1,f=-0.036) USER MOD Single : A 591 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.1!) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= -0.844! C(o=-0.84!,f=-4.5!) USER MOD Single : A 600 LYS NZ :NH3+ 177:sc= -1.5 (180deg=-1.6) USER MOD Single : A 601 SER OG : rot -63:sc= 0.691 USER MOD Single : A 605 HIS : no HD1:sc= 0.336 K(o=0.34,f=-5.2!) USER MOD Single : A 607 LYS NZ :NH3+ -123:sc= -0.158 (180deg=-0.331) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.929 X(o=-0.93,f=-1.3!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.293 14.631 -2.283 1.00 0.00 N ATOM 142 CA ALA A 542 5.000 13.606 -3.039 1.00 0.00 C ATOM 143 C ALA A 542 4.492 12.213 -2.683 1.00 0.00 C ATOM 144 O ALA A 542 4.531 11.805 -1.522 1.00 0.00 O ATOM 145 CB ALA A 542 6.497 13.705 -2.789 1.00 0.00 C ATOM 0 HA ALA A 542 4.808 13.773 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.013 12.933 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.854 14.687 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.698 13.566 -1.727 1.00 0.00 H new ATOM 151 N LYS A 543 4.017 11.486 -3.689 1.00 0.00 N ATOM 152 CA LYS A 543 3.502 10.138 -3.482 1.00 0.00 C ATOM 153 C LYS A 543 4.618 9.188 -3.061 1.00 0.00 C ATOM 154 O LYS A 543 5.358 8.672 -3.898 1.00 0.00 O ATOM 155 CB LYS A 543 2.835 9.624 -4.760 1.00 0.00 C ATOM 156 CG LYS A 543 1.357 9.960 -4.853 1.00 0.00 C ATOM 157 CD LYS A 543 1.139 11.429 -5.170 1.00 0.00 C ATOM 158 CE LYS A 543 1.089 11.675 -6.671 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.240 11.330 -7.246 1.00 0.00 N ATOM 0 H LYS A 543 3.978 11.808 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 543 2.762 10.177 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.350 10.046 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.957 8.542 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.891 9.347 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 543 0.867 9.713 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 543 0.208 11.766 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.942 12.020 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 543 1.312 12.722 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 543 1.862 11.083 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -0.233 11.512 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -0.442 10.324 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.975 11.913 -6.796 1.00 0.00 H new ATOM 173 N VAL A 544 4.733 8.959 -1.756 1.00 0.00 N ATOM 174 CA VAL A 544 5.758 8.068 -1.223 1.00 0.00 C ATOM 175 C VAL A 544 5.135 6.933 -0.420 1.00 0.00 C ATOM 176 O VAL A 544 5.746 6.410 0.513 1.00 0.00 O ATOM 177 CB VAL A 544 6.753 8.830 -0.329 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.470 9.910 -1.125 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.038 9.428 0.874 1.00 0.00 C ATOM 0 H VAL A 544 4.129 9.378 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 544 6.293 7.653 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 544 7.501 8.125 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.169 10.437 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.016 9.452 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.740 10.616 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.756 9.963 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.268 10.119 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.577 8.630 1.457 1.00 0.00 H new ATOM 189 N CYS A 545 3.915 6.554 -0.788 1.00 0.00 N ATOM 190 CA CYS A 545 3.209 5.479 -0.101 1.00 0.00 C ATOM 191 C CYS A 545 2.294 4.728 -1.064 1.00 0.00 C ATOM 192 O CYS A 545 1.634 5.333 -1.908 1.00 0.00 O ATOM 193 CB CYS A 545 2.393 6.041 1.064 1.00 0.00 C ATOM 194 SG CYS A 545 3.378 6.465 2.519 1.00 0.00 S ATOM 0 H CYS A 545 3.395 6.975 -1.558 1.00 0.00 H new ATOM 0 HA CYS A 545 3.950 4.780 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.863 6.931 0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.638 5.309 1.351 1.00 0.00 H new ATOM 0 HG CYS A 545 4.628 6.574 2.180 1.00 0.00 H new ATOM 200 N ALA A 546 2.262 3.406 -0.931 1.00 0.00 N ATOM 201 CA ALA A 546 1.428 2.572 -1.789 1.00 0.00 C ATOM 202 C ALA A 546 0.510 1.681 -0.961 1.00 0.00 C ATOM 203 O ALA A 546 0.963 0.966 -0.067 1.00 0.00 O ATOM 204 CB ALA A 546 2.297 1.729 -2.710 1.00 0.00 C ATOM 0 H ALA A 546 2.803 2.889 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 546 0.804 3.227 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.662 1.111 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.907 2.383 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.946 1.088 -2.113 1.00 0.00 H new ATOM 210 N HIS A 547 -0.783 1.727 -1.265 1.00 0.00 N ATOM 211 CA HIS A 547 -1.766 0.922 -0.549 1.00 0.00 C ATOM 212 C HIS A 547 -2.149 -0.315 -1.356 1.00 0.00 C ATOM 213 O HIS A 547 -2.414 -0.226 -2.555 1.00 0.00 O ATOM 214 CB HIS A 547 -3.013 1.753 -0.245 1.00 0.00 C ATOM 215 CG HIS A 547 -4.000 1.053 0.639 1.00 0.00 C ATOM 216 ND1 HIS A 547 -3.812 0.217 1.687 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.365 1.176 0.488 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.054 -0.145 2.147 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -5.974 0.448 1.407 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.174 2.313 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.317 0.597 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.710 2.686 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.501 2.017 -1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -5.859 1.774 -0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.247 -0.807 2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -6.983 0.359 1.525 1.00 0.00 H new ATOM 227 N ILE A 548 -2.174 -1.464 -0.691 1.00 0.00 N ATOM 228 CA ILE A 548 -2.525 -2.718 -1.348 1.00 0.00 C ATOM 229 C ILE A 548 -3.837 -3.274 -0.807 1.00 0.00 C ATOM 230 O ILE A 548 -3.941 -3.615 0.372 1.00 0.00 O ATOM 231 CB ILE A 548 -1.419 -3.775 -1.169 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.043 -3.154 -1.419 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.654 -4.950 -2.106 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.106 -4.036 -0.986 1.00 0.00 C ATOM 0 H ILE A 548 -1.956 -1.554 0.301 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.638 -2.498 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.450 -4.141 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.059 -2.934 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.019 -2.204 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.865 -5.689 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.619 -5.405 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.647 -4.599 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.050 -3.532 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.029 -4.236 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.069 -4.977 -1.535 1.00 0.00 H new ATOM 246 N THR A 549 -4.838 -3.365 -1.676 1.00 0.00 N ATOM 247 CA THR A 549 -6.145 -3.880 -1.286 1.00 0.00 C ATOM 248 C THR A 549 -6.557 -5.055 -2.165 1.00 0.00 C ATOM 249 O THR A 549 -5.940 -5.318 -3.196 1.00 0.00 O ATOM 250 CB THR A 549 -7.227 -2.787 -1.367 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.548 -2.518 -2.737 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.759 -1.509 -0.691 1.00 0.00 C ATOM 0 H THR A 549 -4.769 -3.089 -2.655 1.00 0.00 H new ATOM 0 HA THR A 549 -6.057 -4.216 -0.253 1.00 0.00 H new ATOM 0 HB THR A 549 -8.115 -3.147 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.238 -1.823 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.541 -0.753 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.543 -1.710 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.857 -1.146 -1.184 1.00 0.00 H new ATOM 260 N ASN A 550 -7.606 -5.759 -1.750 1.00 0.00 N ATOM 261 CA ASN A 550 -8.101 -6.907 -2.502 1.00 0.00 C ATOM 262 C ASN A 550 -7.117 -8.069 -2.430 1.00 0.00 C ATOM 263 O ASN A 550 -6.800 -8.691 -3.444 1.00 0.00 O ATOM 264 CB ASN A 550 -8.345 -6.521 -3.962 1.00 0.00 C ATOM 265 CG ASN A 550 -9.174 -7.551 -4.703 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.320 -8.688 -4.250 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.721 -7.161 -5.847 1.00 0.00 N ATOM 0 H ASN A 550 -8.129 -5.555 -0.898 1.00 0.00 H new ATOM 0 HA ASN A 550 -9.043 -7.223 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.851 -5.556 -4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.387 -6.398 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.289 -7.812 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.574 -6.210 -6.185 1.00 0.00 H new ATOM 274 N ILE A 551 -6.637 -8.357 -1.224 1.00 0.00 N ATOM 275 CA ILE A 551 -5.691 -9.447 -1.020 1.00 0.00 C ATOM 276 C ILE A 551 -6.182 -10.407 0.057 1.00 0.00 C ATOM 277 O ILE A 551 -6.785 -10.007 1.053 1.00 0.00 O ATOM 278 CB ILE A 551 -4.300 -8.916 -0.624 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.383 -8.132 0.686 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.729 -8.046 -1.733 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.031 -7.803 1.281 1.00 0.00 C ATOM 0 H ILE A 551 -6.888 -7.851 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.612 -9.979 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.633 -9.765 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.929 -7.205 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.958 -8.709 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.746 -7.679 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.637 -8.634 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.394 -7.201 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.167 -7.247 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.490 -8.726 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.460 -7.199 0.576 1.00 0.00 H new ATOM 293 N PRO A 552 -5.916 -11.706 -0.142 1.00 0.00 N ATOM 294 CA PRO A 552 -6.321 -12.752 0.803 1.00 0.00 C ATOM 295 C PRO A 552 -5.989 -12.388 2.246 1.00 0.00 C ATOM 296 O PRO A 552 -4.873 -11.967 2.550 1.00 0.00 O ATOM 297 CB PRO A 552 -5.505 -13.968 0.357 1.00 0.00 C ATOM 298 CG PRO A 552 -5.268 -13.752 -1.097 1.00 0.00 C ATOM 299 CD PRO A 552 -5.201 -12.256 -1.306 1.00 0.00 C ATOM 0 HA PRO A 552 -7.398 -12.917 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.565 -14.037 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.048 -14.896 0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -4.341 -14.229 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -6.071 -14.191 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -4.170 -11.903 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.675 -11.961 -2.242 1.00 0.00 H new ATOM 307 N PHE A 553 -6.965 -12.554 3.132 1.00 0.00 N ATOM 308 CA PHE A 553 -6.777 -12.242 4.545 1.00 0.00 C ATOM 309 C PHE A 553 -6.207 -13.442 5.295 1.00 0.00 C ATOM 310 O PHE A 553 -6.494 -13.643 6.475 1.00 0.00 O ATOM 311 CB PHE A 553 -8.104 -11.815 5.176 1.00 0.00 C ATOM 312 CG PHE A 553 -9.272 -12.653 4.740 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.546 -13.859 5.364 1.00 0.00 C ATOM 314 CD2 PHE A 553 -10.095 -12.233 3.707 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.620 -14.632 4.965 1.00 0.00 C ATOM 316 CE2 PHE A 553 -11.171 -13.002 3.306 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.434 -14.204 3.935 1.00 0.00 C ATOM 0 H PHE A 553 -7.894 -12.903 2.897 1.00 0.00 H new ATOM 0 HA PHE A 553 -6.067 -11.419 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -8.015 -11.867 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.299 -10.773 4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.914 -14.199 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.893 -11.295 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.823 -15.571 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.806 -12.664 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.274 -14.807 3.622 1.00 0.00 H new ATOM 327 N SER A 554 -5.397 -14.236 4.601 1.00 0.00 N ATOM 328 CA SER A 554 -4.790 -15.419 5.200 1.00 0.00 C ATOM 329 C SER A 554 -3.280 -15.244 5.337 1.00 0.00 C ATOM 330 O SER A 554 -2.665 -15.771 6.264 1.00 0.00 O ATOM 331 CB SER A 554 -5.097 -16.658 4.357 1.00 0.00 C ATOM 332 OG SER A 554 -5.079 -17.832 5.150 1.00 0.00 O ATOM 0 H SER A 554 -5.146 -14.082 3.624 1.00 0.00 H new ATOM 0 HA SER A 554 -5.215 -15.551 6.195 1.00 0.00 H new ATOM 0 HB2 SER A 554 -6.074 -16.548 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.365 -16.746 3.555 1.00 0.00 H new ATOM 0 HG SER A 554 -5.280 -18.609 4.588 1.00 0.00 H new ATOM 338 N ILE A 555 -2.690 -14.500 4.406 1.00 0.00 N ATOM 339 CA ILE A 555 -1.254 -14.254 4.423 1.00 0.00 C ATOM 340 C ILE A 555 -0.870 -13.315 5.560 1.00 0.00 C ATOM 341 O ILE A 555 -1.733 -12.728 6.215 1.00 0.00 O ATOM 342 CB ILE A 555 -0.770 -13.653 3.090 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.094 -12.159 3.032 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.406 -14.384 1.917 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.566 -11.475 1.791 1.00 0.00 C ATOM 0 H ILE A 555 -3.185 -14.058 3.631 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.771 -15.219 4.574 1.00 0.00 H new ATOM 0 HB ILE A 555 0.311 -13.774 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.175 -12.028 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.676 -11.670 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -1.054 -13.948 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -1.130 -15.438 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.490 -14.291 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.832 -10.418 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.519 -11.575 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -1.003 -11.938 0.906 1.00 0.00 H new ATOM 357 N THR A 556 0.432 -13.173 5.790 1.00 0.00 N ATOM 358 CA THR A 556 0.931 -12.304 6.848 1.00 0.00 C ATOM 359 C THR A 556 1.932 -11.292 6.301 1.00 0.00 C ATOM 360 O THR A 556 2.433 -11.438 5.186 1.00 0.00 O ATOM 361 CB THR A 556 1.601 -13.116 7.972 1.00 0.00 C ATOM 362 OG1 THR A 556 2.692 -13.878 7.444 1.00 0.00 O ATOM 363 CG2 THR A 556 0.600 -14.047 8.637 1.00 0.00 C ATOM 0 H THR A 556 1.160 -13.649 5.257 1.00 0.00 H new ATOM 0 HA THR A 556 0.070 -11.775 7.256 1.00 0.00 H new ATOM 0 HB THR A 556 1.976 -12.418 8.720 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.113 -14.390 8.166 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.096 -14.610 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.213 -13.461 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.198 -14.739 7.896 1.00 0.00 H new ATOM 371 N LYS A 557 2.221 -10.265 7.093 1.00 0.00 N ATOM 372 CA LYS A 557 3.164 -9.229 6.691 1.00 0.00 C ATOM 373 C LYS A 557 4.318 -9.825 5.891 1.00 0.00 C ATOM 374 O LYS A 557 4.684 -9.311 4.834 1.00 0.00 O ATOM 375 CB LYS A 557 3.707 -8.498 7.921 1.00 0.00 C ATOM 376 CG LYS A 557 4.312 -7.141 7.605 1.00 0.00 C ATOM 377 CD LYS A 557 4.643 -6.369 8.871 1.00 0.00 C ATOM 378 CE LYS A 557 5.906 -6.899 9.532 1.00 0.00 C ATOM 379 NZ LYS A 557 7.129 -6.229 9.007 1.00 0.00 N ATOM 0 H LYS A 557 1.815 -10.128 8.019 1.00 0.00 H new ATOM 0 HA LYS A 557 2.634 -8.517 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.899 -8.367 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.463 -9.121 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.217 -7.274 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.615 -6.564 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.772 -5.313 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.809 -6.438 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.843 -6.748 10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.980 -7.974 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 7.949 -6.856 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 7.003 -6.020 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 7.289 -5.342 9.526 1.00 0.00 H new ATOM 393 N MET A 558 4.887 -10.912 6.403 1.00 0.00 N ATOM 394 CA MET A 558 5.999 -11.578 5.734 1.00 0.00 C ATOM 395 C MET A 558 5.687 -11.806 4.257 1.00 0.00 C ATOM 396 O MET A 558 6.512 -11.520 3.389 1.00 0.00 O ATOM 397 CB MET A 558 6.303 -12.914 6.413 1.00 0.00 C ATOM 398 CG MET A 558 7.309 -13.767 5.656 1.00 0.00 C ATOM 399 SD MET A 558 8.967 -13.056 5.663 1.00 0.00 S ATOM 400 CE MET A 558 9.482 -13.415 7.339 1.00 0.00 C ATOM 0 H MET A 558 4.597 -11.350 7.277 1.00 0.00 H new ATOM 0 HA MET A 558 6.874 -10.932 5.808 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.683 -12.724 7.417 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.375 -13.475 6.525 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.343 -14.762 6.100 1.00 0.00 H new ATOM 0 HG3 MET A 558 6.974 -13.889 4.626 1.00 0.00 H new ATOM 0 HE1 MET A 558 9.755 -12.487 7.842 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.663 -13.893 7.877 1.00 0.00 H new ATOM 0 HE3 MET A 558 10.342 -14.084 7.320 1.00 0.00 H new ATOM 410 N ASP A 559 4.494 -12.320 3.982 1.00 0.00 N ATOM 411 CA ASP A 559 4.074 -12.584 2.610 1.00 0.00 C ATOM 412 C ASP A 559 4.145 -11.315 1.766 1.00 0.00 C ATOM 413 O ASP A 559 4.696 -11.319 0.665 1.00 0.00 O ATOM 414 CB ASP A 559 2.653 -13.148 2.589 1.00 0.00 C ATOM 415 CG ASP A 559 2.621 -14.648 2.806 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.211 -15.378 1.984 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.005 -15.091 3.798 1.00 0.00 O ATOM 0 H ASP A 559 3.801 -12.562 4.690 1.00 0.00 H new ATOM 0 HA ASP A 559 4.755 -13.320 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.060 -12.659 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.186 -12.912 1.633 1.00 0.00 H new ATOM 422 N VAL A 560 3.582 -10.230 2.289 1.00 0.00 N ATOM 423 CA VAL A 560 3.580 -8.955 1.584 1.00 0.00 C ATOM 424 C VAL A 560 4.998 -8.521 1.230 1.00 0.00 C ATOM 425 O VAL A 560 5.306 -8.255 0.067 1.00 0.00 O ATOM 426 CB VAL A 560 2.913 -7.850 2.424 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.901 -6.533 1.663 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.501 -8.260 2.818 1.00 0.00 C ATOM 0 H VAL A 560 3.121 -10.209 3.199 1.00 0.00 H new ATOM 0 HA VAL A 560 3.007 -9.101 0.668 1.00 0.00 H new ATOM 0 HB VAL A 560 3.495 -7.710 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.426 -5.765 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 560 3.924 -6.235 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.344 -6.655 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.044 -7.468 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.907 -8.429 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.539 -9.177 3.406 1.00 0.00 H new ATOM 438 N LEU A 561 5.860 -8.452 2.239 1.00 0.00 N ATOM 439 CA LEU A 561 7.247 -8.052 2.035 1.00 0.00 C ATOM 440 C LEU A 561 7.883 -8.850 0.900 1.00 0.00 C ATOM 441 O LEU A 561 8.738 -8.340 0.176 1.00 0.00 O ATOM 442 CB LEU A 561 8.049 -8.245 3.322 1.00 0.00 C ATOM 443 CG LEU A 561 7.483 -7.574 4.574 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.293 -7.962 5.801 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.461 -6.062 4.404 1.00 0.00 C ATOM 0 H LEU A 561 5.622 -8.668 3.207 1.00 0.00 H new ATOM 0 HA LEU A 561 7.258 -6.997 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.136 -9.314 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.058 -7.868 3.157 1.00 0.00 H new ATOM 0 HG LEU A 561 6.459 -7.919 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.875 -7.475 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.258 -9.043 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.328 -7.646 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.055 -5.601 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.475 -5.700 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 561 6.837 -5.801 3.550 1.00 0.00 H new ATOM 457 N GLN A 562 7.457 -10.100 0.753 1.00 0.00 N ATOM 458 CA GLN A 562 7.985 -10.966 -0.294 1.00 0.00 C ATOM 459 C GLN A 562 7.432 -10.569 -1.660 1.00 0.00 C ATOM 460 O GLN A 562 8.081 -10.773 -2.686 1.00 0.00 O ATOM 461 CB GLN A 562 7.643 -12.427 0.003 1.00 0.00 C ATOM 462 CG GLN A 562 8.539 -13.421 -0.719 1.00 0.00 C ATOM 463 CD GLN A 562 7.997 -14.836 -0.670 1.00 0.00 C ATOM 464 OE1 GLN A 562 6.822 -15.075 -0.945 1.00 0.00 O ATOM 465 NE2 GLN A 562 8.857 -15.787 -0.317 1.00 0.00 N ATOM 0 H GLN A 562 6.749 -10.535 1.344 1.00 0.00 H new ATOM 0 HA GLN A 562 9.069 -10.851 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.717 -12.598 1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.607 -12.613 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.651 -13.115 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.533 -13.401 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.823 -15.545 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 562 8.550 -16.759 -0.266 1.00 0.00 H new ATOM 474 N PHE A 563 6.231 -10.002 -1.664 1.00 0.00 N ATOM 475 CA PHE A 563 5.590 -9.577 -2.902 1.00 0.00 C ATOM 476 C PHE A 563 6.222 -8.291 -3.429 1.00 0.00 C ATOM 477 O PHE A 563 6.208 -8.026 -4.632 1.00 0.00 O ATOM 478 CB PHE A 563 4.091 -9.369 -2.680 1.00 0.00 C ATOM 479 CG PHE A 563 3.413 -8.645 -3.809 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.127 -9.300 -4.996 1.00 0.00 C ATOM 481 CD2 PHE A 563 3.061 -7.312 -3.683 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.503 -8.638 -6.037 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.436 -6.644 -4.719 1.00 0.00 C ATOM 484 CZ PHE A 563 2.158 -7.308 -5.898 1.00 0.00 C ATOM 0 H PHE A 563 5.681 -9.826 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 563 5.734 -10.362 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.614 -10.339 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.943 -8.807 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.395 -10.340 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.277 -6.788 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.286 -9.160 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 563 2.165 -5.604 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.672 -6.788 -6.710 1.00 0.00 H new ATOM 494 N LEU A 564 6.774 -7.495 -2.519 1.00 0.00 N ATOM 495 CA LEU A 564 7.410 -6.236 -2.890 1.00 0.00 C ATOM 496 C LEU A 564 8.909 -6.426 -3.103 1.00 0.00 C ATOM 497 O LEU A 564 9.674 -5.463 -3.081 1.00 0.00 O ATOM 498 CB LEU A 564 7.166 -5.181 -1.810 1.00 0.00 C ATOM 499 CG LEU A 564 5.708 -4.783 -1.578 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.577 -3.949 -0.314 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.164 -4.023 -2.780 1.00 0.00 C ATOM 0 H LEU A 564 6.794 -7.699 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 564 6.969 -5.896 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.575 -5.551 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.729 -4.285 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 564 5.119 -5.692 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.532 -3.675 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.926 -4.528 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.179 -3.045 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.125 -3.748 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.756 -3.121 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.221 -4.655 -3.666 1.00 0.00 H new ATOM 513 N GLU A 565 9.319 -7.673 -3.310 1.00 0.00 N ATOM 514 CA GLU A 565 10.726 -7.988 -3.528 1.00 0.00 C ATOM 515 C GLU A 565 11.287 -7.187 -4.700 1.00 0.00 C ATOM 516 O GLU A 565 10.653 -7.072 -5.747 1.00 0.00 O ATOM 517 CB GLU A 565 10.903 -9.485 -3.788 1.00 0.00 C ATOM 518 CG GLU A 565 12.244 -9.842 -4.405 1.00 0.00 C ATOM 519 CD GLU A 565 12.540 -11.328 -4.340 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.861 -12.035 -3.568 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.450 -11.783 -5.065 1.00 0.00 O ATOM 0 H GLU A 565 8.697 -8.481 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 565 11.276 -7.716 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.791 -10.024 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.106 -9.827 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.259 -9.518 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 565 13.034 -9.295 -3.890 1.00 0.00 H new ATOM 528 N GLY A 566 12.482 -6.635 -4.514 1.00 0.00 N ATOM 529 CA GLY A 566 13.109 -5.853 -5.562 1.00 0.00 C ATOM 530 C GLY A 566 13.044 -4.362 -5.290 1.00 0.00 C ATOM 531 O GLY A 566 13.834 -3.590 -5.835 1.00 0.00 O ATOM 0 H GLY A 566 13.027 -6.716 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.151 -6.156 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.621 -6.068 -6.513 1.00 0.00 H new ATOM 535 N ILE A 567 12.100 -3.956 -4.448 1.00 0.00 N ATOM 536 CA ILE A 567 11.936 -2.549 -4.107 1.00 0.00 C ATOM 537 C ILE A 567 12.451 -2.260 -2.701 1.00 0.00 C ATOM 538 O ILE A 567 11.808 -2.577 -1.700 1.00 0.00 O ATOM 539 CB ILE A 567 10.460 -2.117 -4.199 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.904 -2.419 -5.592 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.321 -0.636 -3.876 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.406 -2.230 -5.698 1.00 0.00 C ATOM 0 H ILE A 567 11.437 -4.581 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 567 12.520 -1.979 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 567 9.884 -2.684 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.396 -1.773 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.152 -3.446 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.273 -0.345 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.684 -0.448 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.907 -0.052 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.081 -2.461 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.905 -2.896 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.152 -1.196 -5.463 1.00 0.00 H new ATOM 554 N PRO A 568 13.639 -1.643 -2.621 1.00 0.00 N ATOM 555 CA PRO A 568 14.267 -1.295 -1.343 1.00 0.00 C ATOM 556 C PRO A 568 13.289 -0.634 -0.378 1.00 0.00 C ATOM 557 O PRO A 568 12.873 0.507 -0.585 1.00 0.00 O ATOM 558 CB PRO A 568 15.369 -0.312 -1.745 1.00 0.00 C ATOM 559 CG PRO A 568 15.722 -0.689 -3.142 1.00 0.00 C ATOM 560 CD PRO A 568 14.460 -1.235 -3.774 1.00 0.00 C ATOM 0 HA PRO A 568 14.634 -2.176 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.019 0.719 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.232 -0.392 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 568 16.090 0.175 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.516 -1.436 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.956 -0.480 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.674 -2.078 -4.431 1.00 0.00 H new ATOM 568 N VAL A 569 12.925 -1.357 0.677 1.00 0.00 N ATOM 569 CA VAL A 569 11.998 -0.839 1.675 1.00 0.00 C ATOM 570 C VAL A 569 12.078 -1.642 2.969 1.00 0.00 C ATOM 571 O VAL A 569 12.123 -2.871 2.946 1.00 0.00 O ATOM 572 CB VAL A 569 10.547 -0.862 1.159 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.087 -2.294 0.923 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.623 -0.150 2.134 1.00 0.00 C ATOM 0 H VAL A 569 13.258 -2.303 0.862 1.00 0.00 H new ATOM 0 HA VAL A 569 12.290 0.193 1.872 1.00 0.00 H new ATOM 0 HB VAL A 569 10.510 -0.332 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.060 -2.291 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.733 -2.766 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.139 -2.852 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.602 -0.176 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.662 -0.649 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 569 9.942 0.886 2.247 1.00 0.00 H new ATOM 584 N ASP A 570 12.096 -0.937 4.095 1.00 0.00 N ATOM 585 CA ASP A 570 12.170 -1.584 5.400 1.00 0.00 C ATOM 586 C ASP A 570 10.896 -2.372 5.688 1.00 0.00 C ATOM 587 O ASP A 570 9.840 -2.094 5.119 1.00 0.00 O ATOM 588 CB ASP A 570 12.400 -0.544 6.497 1.00 0.00 C ATOM 589 CG ASP A 570 13.862 -0.176 6.648 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.683 -1.089 6.876 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.187 1.025 6.540 1.00 0.00 O ATOM 0 H ASP A 570 12.060 0.082 4.130 1.00 0.00 H new ATOM 0 HA ASP A 570 13.010 -2.278 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.824 0.353 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.026 -0.931 7.445 1.00 0.00 H new ATOM 596 N GLU A 571 11.003 -3.356 6.575 1.00 0.00 N ATOM 597 CA GLU A 571 9.858 -4.186 6.937 1.00 0.00 C ATOM 598 C GLU A 571 8.762 -3.346 7.587 1.00 0.00 C ATOM 599 O GLU A 571 7.583 -3.489 7.266 1.00 0.00 O ATOM 600 CB GLU A 571 10.291 -5.304 7.888 1.00 0.00 C ATOM 601 CG GLU A 571 11.264 -6.290 7.265 1.00 0.00 C ATOM 602 CD GLU A 571 11.834 -7.266 8.276 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.310 -6.809 9.336 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.804 -8.485 8.008 1.00 0.00 O ATOM 0 H GLU A 571 11.869 -3.598 7.056 1.00 0.00 H new ATOM 0 HA GLU A 571 9.459 -4.629 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.752 -4.861 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.407 -5.844 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.757 -6.845 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 571 12.080 -5.741 6.795 1.00 0.00 H new ATOM 611 N ASN A 572 9.161 -2.470 8.504 1.00 0.00 N ATOM 612 CA ASN A 572 8.213 -1.608 9.201 1.00 0.00 C ATOM 613 C ASN A 572 7.472 -0.707 8.217 1.00 0.00 C ATOM 614 O ASN A 572 6.292 -0.410 8.399 1.00 0.00 O ATOM 615 CB ASN A 572 8.938 -0.756 10.244 1.00 0.00 C ATOM 616 CG ASN A 572 9.938 -1.559 11.052 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.731 -2.743 11.318 1.00 0.00 O ATOM 618 ND2 ASN A 572 11.031 -0.916 11.448 1.00 0.00 N ATOM 0 H ASN A 572 10.134 -2.338 8.781 1.00 0.00 H new ATOM 0 HA ASN A 572 7.484 -2.243 9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.454 0.064 9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.206 -0.310 10.917 1.00 0.00 H new ATOM 0 HD21 ASN A 572 11.740 -1.404 11.995 1.00 0.00 H new ATOM 0 HD22 ASN A 572 11.161 0.066 11.205 1.00 0.00 H new ATOM 625 N ALA A 573 8.174 -0.277 7.174 1.00 0.00 N ATOM 626 CA ALA A 573 7.583 0.587 6.160 1.00 0.00 C ATOM 627 C ALA A 573 6.205 0.083 5.744 1.00 0.00 C ATOM 628 O ALA A 573 5.387 0.841 5.223 1.00 0.00 O ATOM 629 CB ALA A 573 8.500 0.684 4.949 1.00 0.00 C ATOM 0 H ALA A 573 9.153 -0.513 7.009 1.00 0.00 H new ATOM 0 HA ALA A 573 7.462 1.581 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.046 1.332 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.461 1.098 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.650 -0.309 4.526 1.00 0.00 H new ATOM 635 N VAL A 574 5.954 -1.202 5.977 1.00 0.00 N ATOM 636 CA VAL A 574 4.675 -1.806 5.627 1.00 0.00 C ATOM 637 C VAL A 574 3.783 -1.953 6.854 1.00 0.00 C ATOM 638 O VAL A 574 4.135 -2.642 7.813 1.00 0.00 O ATOM 639 CB VAL A 574 4.868 -3.190 4.978 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.522 -3.819 4.652 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.729 -3.075 3.728 1.00 0.00 C ATOM 0 H VAL A 574 6.620 -1.844 6.407 1.00 0.00 H new ATOM 0 HA VAL A 574 4.195 -1.140 4.910 1.00 0.00 H new ATOM 0 HB VAL A 574 5.382 -3.838 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.678 -4.796 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.944 -3.936 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.978 -3.177 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.856 -4.061 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.244 -2.412 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.705 -2.669 3.994 1.00 0.00 H new ATOM 651 N HIS A 575 2.625 -1.301 6.818 1.00 0.00 N ATOM 652 CA HIS A 575 1.680 -1.361 7.928 1.00 0.00 C ATOM 653 C HIS A 575 0.439 -2.161 7.543 1.00 0.00 C ATOM 654 O HIS A 575 -0.432 -1.669 6.825 1.00 0.00 O ATOM 655 CB HIS A 575 1.278 0.050 8.359 1.00 0.00 C ATOM 656 CG HIS A 575 2.394 0.827 8.986 1.00 0.00 C ATOM 657 ND1 HIS A 575 3.714 0.877 8.688 1.00 0.00 N flip ATOM 658 CD2 HIS A 575 2.212 1.676 10.057 1.00 0.00 C flip ATOM 659 CE1 HIS A 575 4.299 1.747 9.574 1.00 0.00 C flip ATOM 660 NE2 HIS A 575 3.371 2.217 10.389 1.00 0.00 N flip ATOM 0 H HIS A 575 2.319 -0.726 6.033 1.00 0.00 H new ATOM 0 HA HIS A 575 2.169 -1.863 8.763 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.911 0.595 7.490 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.451 -0.017 9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 575 1.270 1.869 10.548 1.00 0.00 H new ATOM 0 HE1 HIS A 575 5.347 2.005 9.601 1.00 0.00 H new ATOM 0 HE2 HIS A 575 3.523 2.884 11.146 1.00 0.00 H new ATOM 668 N VAL A 576 0.365 -3.398 8.026 1.00 0.00 N ATOM 669 CA VAL A 576 -0.769 -4.266 7.732 1.00 0.00 C ATOM 670 C VAL A 576 -1.967 -3.921 8.612 1.00 0.00 C ATOM 671 O VAL A 576 -1.826 -3.718 9.819 1.00 0.00 O ATOM 672 CB VAL A 576 -0.407 -5.749 7.935 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.616 -6.635 7.671 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.757 -6.140 7.038 1.00 0.00 C ATOM 0 H VAL A 576 1.077 -3.821 8.622 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.031 -4.103 6.686 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.101 -5.892 8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.341 -7.679 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.419 -6.370 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.955 -6.491 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.000 -7.191 7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.482 -5.982 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.625 -5.527 7.281 1.00 0.00 H new ATOM 684 N LEU A 577 -3.143 -3.858 8.000 1.00 0.00 N ATOM 685 CA LEU A 577 -4.368 -3.539 8.726 1.00 0.00 C ATOM 686 C LEU A 577 -4.828 -4.726 9.565 1.00 0.00 C ATOM 687 O LEU A 577 -4.455 -5.870 9.301 1.00 0.00 O ATOM 688 CB LEU A 577 -5.472 -3.132 7.749 1.00 0.00 C ATOM 689 CG LEU A 577 -5.399 -1.703 7.210 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.549 -1.434 6.253 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.409 -0.700 8.355 1.00 0.00 C ATOM 0 H LEU A 577 -3.275 -4.024 7.002 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.158 -2.704 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.452 -3.819 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.434 -3.263 8.244 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.464 -1.589 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.480 -0.412 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.496 -2.130 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.496 -1.566 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.356 0.312 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.327 -0.814 8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.550 -0.878 9.002 1.00 0.00 H new ATOM 809 N GLY A 586 -7.993 -7.566 4.848 1.00 0.00 N ATOM 810 CA GLY A 586 -7.292 -7.897 3.621 1.00 0.00 C ATOM 811 C GLY A 586 -6.703 -6.677 2.943 1.00 0.00 C ATOM 812 O GLY A 586 -6.929 -6.451 1.755 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.495 -8.607 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.979 -8.393 2.936 1.00 0.00 H new ATOM 816 N GLN A 587 -5.948 -5.888 3.700 1.00 0.00 N ATOM 817 CA GLN A 587 -5.326 -4.683 3.163 1.00 0.00 C ATOM 818 C GLN A 587 -4.031 -4.363 3.902 1.00 0.00 C ATOM 819 O GLN A 587 -3.880 -4.690 5.079 1.00 0.00 O ATOM 820 CB GLN A 587 -6.290 -3.499 3.264 1.00 0.00 C ATOM 821 CG GLN A 587 -7.490 -3.611 2.338 1.00 0.00 C ATOM 822 CD GLN A 587 -8.556 -2.576 2.637 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.129 -1.387 3.047 1.00 0.00 O flip ATOM 824 NE2 GLN A 587 -9.751 -2.840 2.500 1.00 0.00 N flip ATOM 0 H GLN A 587 -5.752 -6.061 4.686 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.089 -4.863 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.642 -3.414 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.749 -2.581 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.159 -3.499 1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.922 -4.608 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -10.035 -3.767 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.456 -2.132 2.704 1.00 0.00 H new ATOM 833 N ALA A 588 -3.100 -3.723 3.203 1.00 0.00 N ATOM 834 CA ALA A 588 -1.818 -3.358 3.793 1.00 0.00 C ATOM 835 C ALA A 588 -1.269 -2.080 3.167 1.00 0.00 C ATOM 836 O ALA A 588 -1.422 -1.851 1.966 1.00 0.00 O ATOM 837 CB ALA A 588 -0.821 -4.496 3.636 1.00 0.00 C ATOM 0 H ALA A 588 -3.209 -3.446 2.227 1.00 0.00 H new ATOM 0 HA ALA A 588 -1.975 -3.172 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.132 -4.209 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.202 -5.386 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.677 -4.710 2.577 1.00 0.00 H new ATOM 843 N LEU A 589 -0.628 -1.253 3.985 1.00 0.00 N ATOM 844 CA LEU A 589 -0.056 0.002 3.510 1.00 0.00 C ATOM 845 C LEU A 589 1.466 -0.072 3.476 1.00 0.00 C ATOM 846 O LEU A 589 2.081 -0.800 4.256 1.00 0.00 O ATOM 847 CB LEU A 589 -0.502 1.160 4.407 1.00 0.00 C ATOM 848 CG LEU A 589 -1.983 1.532 4.336 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.394 2.325 5.566 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.274 2.323 3.068 1.00 0.00 C ATOM 0 H LEU A 589 -0.491 -1.429 4.980 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.415 0.176 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.261 0.907 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.086 2.041 4.149 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.568 0.612 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.451 2.581 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.223 1.725 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.803 3.239 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.333 2.579 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.679 3.236 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.018 1.720 2.196 1.00 0.00 H new ATOM 862 N VAL A 590 2.071 0.689 2.568 1.00 0.00 N ATOM 863 CA VAL A 590 3.522 0.712 2.433 1.00 0.00 C ATOM 864 C VAL A 590 4.040 2.140 2.304 1.00 0.00 C ATOM 865 O VAL A 590 3.493 2.941 1.547 1.00 0.00 O ATOM 866 CB VAL A 590 3.985 -0.104 1.211 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.503 -0.194 1.175 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.360 -1.490 1.227 1.00 0.00 C ATOM 0 H VAL A 590 1.577 1.298 1.915 1.00 0.00 H new ATOM 0 HA VAL A 590 3.931 0.261 3.337 1.00 0.00 H new ATOM 0 HB VAL A 590 3.653 0.407 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.813 -0.774 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.926 0.809 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.860 -0.682 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.698 -2.052 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.659 -2.013 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.274 -1.400 1.201 1.00 0.00 H new ATOM 878 N GLN A 591 5.097 2.450 3.049 1.00 0.00 N ATOM 879 CA GLN A 591 5.687 3.782 3.017 1.00 0.00 C ATOM 880 C GLN A 591 7.128 3.727 2.519 1.00 0.00 C ATOM 881 O GLN A 591 7.861 2.781 2.809 1.00 0.00 O ATOM 882 CB GLN A 591 5.640 4.417 4.408 1.00 0.00 C ATOM 883 CG GLN A 591 6.239 5.814 4.460 1.00 0.00 C ATOM 884 CD GLN A 591 6.700 6.199 5.852 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.926 5.339 6.704 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.841 7.498 6.090 1.00 0.00 N ATOM 0 H GLN A 591 5.561 1.797 3.681 1.00 0.00 H new ATOM 0 HA GLN A 591 5.106 4.393 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.604 4.462 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.174 3.776 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 591 7.084 5.869 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.499 6.536 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 591 6.643 8.176 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.148 7.818 7.009 1.00 0.00 H new ATOM 895 N PHE A 592 7.528 4.747 1.766 1.00 0.00 N ATOM 896 CA PHE A 592 8.881 4.814 1.227 1.00 0.00 C ATOM 897 C PHE A 592 9.565 6.115 1.634 1.00 0.00 C ATOM 898 O PHE A 592 8.930 7.023 2.171 1.00 0.00 O ATOM 899 CB PHE A 592 8.850 4.697 -0.299 1.00 0.00 C ATOM 900 CG PHE A 592 8.162 3.456 -0.791 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.853 2.259 -0.890 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.826 3.485 -1.154 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.224 1.114 -1.343 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.191 2.344 -1.607 1.00 0.00 C ATOM 905 CZ PHE A 592 6.891 1.158 -1.702 1.00 0.00 C ATOM 0 H PHE A 592 6.934 5.538 1.516 1.00 0.00 H new ATOM 0 HA PHE A 592 9.451 3.981 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.346 5.570 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.872 4.710 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.895 2.220 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.274 4.410 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.774 0.187 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.148 2.380 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.397 0.266 -2.057 1.00 0.00 H new ATOM 915 N LYS A 593 10.866 6.199 1.375 1.00 0.00 N ATOM 916 CA LYS A 593 11.639 7.388 1.713 1.00 0.00 C ATOM 917 C LYS A 593 11.461 8.473 0.655 1.00 0.00 C ATOM 918 O LYS A 593 11.349 9.655 0.977 1.00 0.00 O ATOM 919 CB LYS A 593 13.121 7.036 1.852 1.00 0.00 C ATOM 920 CG LYS A 593 13.396 5.960 2.889 1.00 0.00 C ATOM 921 CD LYS A 593 14.886 5.769 3.113 1.00 0.00 C ATOM 922 CE LYS A 593 15.160 4.812 4.263 1.00 0.00 C ATOM 923 NZ LYS A 593 15.067 3.389 3.834 1.00 0.00 N ATOM 0 H LYS A 593 11.407 5.457 0.932 1.00 0.00 H new ATOM 0 HA LYS A 593 11.271 7.770 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.499 6.702 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.676 7.936 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.917 6.230 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.952 5.019 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 593 15.345 5.385 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 593 15.350 6.733 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 593 16.154 5.005 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.447 4.996 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.260 2.768 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 14.111 3.197 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 15.765 3.206 3.085 1.00 0.00 H new ATOM 937 N ASN A 594 11.433 8.061 -0.609 1.00 0.00 N ATOM 938 CA ASN A 594 11.268 8.998 -1.714 1.00 0.00 C ATOM 939 C ASN A 594 10.446 8.372 -2.838 1.00 0.00 C ATOM 940 O ASN A 594 10.331 7.151 -2.930 1.00 0.00 O ATOM 941 CB ASN A 594 12.632 9.436 -2.248 1.00 0.00 C ATOM 942 CG ASN A 594 13.685 8.353 -2.103 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.362 7.175 -1.958 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.951 8.751 -2.141 1.00 0.00 N ATOM 0 H ASN A 594 11.522 7.085 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 594 10.735 9.872 -1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.537 9.708 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.958 10.329 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.703 8.068 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.171 9.739 -2.263 1.00 0.00 H new ATOM 951 N GLU A 595 9.879 9.220 -3.691 1.00 0.00 N ATOM 952 CA GLU A 595 9.069 8.750 -4.809 1.00 0.00 C ATOM 953 C GLU A 595 9.846 7.751 -5.661 1.00 0.00 C ATOM 954 O GLU A 595 9.267 6.835 -6.244 1.00 0.00 O ATOM 955 CB GLU A 595 8.617 9.931 -5.671 1.00 0.00 C ATOM 956 CG GLU A 595 7.787 10.954 -4.914 1.00 0.00 C ATOM 957 CD GLU A 595 7.512 12.201 -5.733 1.00 0.00 C ATOM 958 OE1 GLU A 595 8.481 12.806 -6.236 1.00 0.00 O ATOM 959 OE2 GLU A 595 6.327 12.572 -5.868 1.00 0.00 O ATOM 0 H GLU A 595 9.966 10.234 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 595 8.190 8.248 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.496 10.424 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.035 9.554 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.840 10.502 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.307 11.233 -3.998 1.00 0.00 H new ATOM 966 N ASP A 596 11.159 7.936 -5.729 1.00 0.00 N ATOM 967 CA ASP A 596 12.016 7.051 -6.510 1.00 0.00 C ATOM 968 C ASP A 596 11.639 5.591 -6.284 1.00 0.00 C ATOM 969 O ASP A 596 11.672 4.780 -7.210 1.00 0.00 O ATOM 970 CB ASP A 596 13.485 7.275 -6.144 1.00 0.00 C ATOM 971 CG ASP A 596 14.080 8.478 -6.847 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.315 9.404 -7.189 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.312 8.494 -7.057 1.00 0.00 O ATOM 0 H ASP A 596 11.654 8.690 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 596 11.873 7.285 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.571 7.409 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.060 6.386 -6.402 1.00 0.00 H new ATOM 978 N ASP A 597 11.282 5.262 -5.048 1.00 0.00 N ATOM 979 CA ASP A 597 10.899 3.899 -4.700 1.00 0.00 C ATOM 980 C ASP A 597 9.382 3.737 -4.728 1.00 0.00 C ATOM 981 O ASP A 597 8.869 2.623 -4.835 1.00 0.00 O ATOM 982 CB ASP A 597 11.438 3.533 -3.317 1.00 0.00 C ATOM 983 CG ASP A 597 11.739 2.052 -3.185 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.664 1.571 -3.872 1.00 0.00 O ATOM 985 OD2 ASP A 597 11.048 1.374 -2.395 1.00 0.00 O ATOM 0 H ASP A 597 11.250 5.921 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 597 11.332 3.226 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 597 12.346 4.104 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.710 3.822 -2.559 1.00 0.00 H new ATOM 990 N ALA A 598 8.670 4.855 -4.631 1.00 0.00 N ATOM 991 CA ALA A 598 7.213 4.838 -4.646 1.00 0.00 C ATOM 992 C ALA A 598 6.683 4.491 -6.033 1.00 0.00 C ATOM 993 O ALA A 598 5.919 3.541 -6.197 1.00 0.00 O ATOM 994 CB ALA A 598 6.664 6.180 -4.189 1.00 0.00 C ATOM 0 H ALA A 598 9.080 5.785 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 598 6.876 4.067 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.574 6.152 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 598 7.006 6.387 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 598 7.017 6.965 -4.858 1.00 0.00 H new ATOM 1000 N ARG A 599 7.093 5.269 -7.030 1.00 0.00 N ATOM 1001 CA ARG A 599 6.658 5.046 -8.403 1.00 0.00 C ATOM 1002 C ARG A 599 6.907 3.601 -8.824 1.00 0.00 C ATOM 1003 O ARG A 599 6.317 3.113 -9.787 1.00 0.00 O ATOM 1004 CB ARG A 599 7.386 5.999 -9.353 1.00 0.00 C ATOM 1005 CG ARG A 599 7.168 7.468 -9.028 1.00 0.00 C ATOM 1006 CD ARG A 599 7.583 8.362 -10.186 1.00 0.00 C ATOM 1007 NE ARG A 599 9.033 8.409 -10.349 1.00 0.00 N ATOM 1008 CZ ARG A 599 9.639 9.029 -11.356 1.00 0.00 C ATOM 1009 NH1 ARG A 599 8.924 9.652 -12.283 1.00 0.00 N ATOM 1010 NH2 ARG A 599 10.963 9.029 -11.435 1.00 0.00 N ATOM 0 H ARG A 599 7.726 6.060 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 599 5.587 5.242 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.454 5.783 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.052 5.808 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.117 7.638 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 599 7.739 7.734 -8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 599 7.126 7.998 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 599 7.204 9.370 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 599 9.612 7.941 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 599 7.906 9.656 -12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 599 9.392 10.127 -13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 599 11.516 8.553 -10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 599 11.428 9.505 -12.208 1.00 0.00 H new ATOM 1024 N LYS A 600 7.787 2.922 -8.097 1.00 0.00 N ATOM 1025 CA LYS A 600 8.117 1.532 -8.392 1.00 0.00 C ATOM 1026 C LYS A 600 7.007 0.598 -7.920 1.00 0.00 C ATOM 1027 O LYS A 600 6.603 -0.314 -8.639 1.00 0.00 O ATOM 1028 CB LYS A 600 9.440 1.147 -7.728 1.00 0.00 C ATOM 1029 CG LYS A 600 10.628 1.950 -8.228 1.00 0.00 C ATOM 1030 CD LYS A 600 11.936 1.212 -8.000 1.00 0.00 C ATOM 1031 CE LYS A 600 12.535 1.547 -6.643 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.758 0.743 -6.363 1.00 0.00 N ATOM 0 H LYS A 600 8.286 3.312 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 600 8.219 1.430 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.349 1.282 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.629 0.088 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.507 2.157 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.659 2.912 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.766 0.138 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.644 1.473 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.782 2.608 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.794 1.365 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.165 1.036 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 13.508 -0.266 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.455 0.897 -7.119 1.00 0.00 H new ATOM 1046 N SER A 601 6.518 0.834 -6.707 1.00 0.00 N ATOM 1047 CA SER A 601 5.457 0.012 -6.137 1.00 0.00 C ATOM 1048 C SER A 601 4.235 -0.008 -7.050 1.00 0.00 C ATOM 1049 O SER A 601 3.479 -0.979 -7.072 1.00 0.00 O ATOM 1050 CB SER A 601 5.065 0.533 -4.754 1.00 0.00 C ATOM 1051 OG SER A 601 4.640 1.883 -4.820 1.00 0.00 O ATOM 0 H SER A 601 6.840 1.588 -6.100 1.00 0.00 H new ATOM 0 HA SER A 601 5.834 -1.006 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.266 -0.084 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.914 0.448 -4.076 1.00 0.00 H new ATOM 0 HG SER A 601 5.382 2.445 -5.128 1.00 0.00 H new ATOM 1057 N GLU A 602 4.050 1.073 -7.803 1.00 0.00 N ATOM 1058 CA GLU A 602 2.920 1.180 -8.719 1.00 0.00 C ATOM 1059 C GLU A 602 3.056 0.190 -9.871 1.00 0.00 C ATOM 1060 O GLU A 602 2.060 -0.294 -10.410 1.00 0.00 O ATOM 1061 CB GLU A 602 2.812 2.605 -9.266 1.00 0.00 C ATOM 1062 CG GLU A 602 3.597 2.825 -10.548 1.00 0.00 C ATOM 1063 CD GLU A 602 2.784 2.513 -11.790 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.755 1.817 -11.666 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.177 2.967 -12.885 1.00 0.00 O ATOM 0 H GLU A 602 4.667 1.885 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 602 2.013 0.941 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.763 2.837 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 602 3.166 3.304 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.935 3.861 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.489 2.199 -10.535 1.00 0.00 H new ATOM 1072 N ARG A 603 4.296 -0.108 -10.244 1.00 0.00 N ATOM 1073 CA ARG A 603 4.565 -1.039 -11.333 1.00 0.00 C ATOM 1074 C ARG A 603 4.020 -2.427 -11.008 1.00 0.00 C ATOM 1075 O ARG A 603 3.974 -3.305 -11.871 1.00 0.00 O ATOM 1076 CB ARG A 603 6.067 -1.120 -11.605 1.00 0.00 C ATOM 1077 CG ARG A 603 6.441 -2.153 -12.656 1.00 0.00 C ATOM 1078 CD ARG A 603 5.674 -1.935 -13.949 1.00 0.00 C ATOM 1079 NE ARG A 603 6.378 -2.487 -15.104 1.00 0.00 N ATOM 1080 CZ ARG A 603 6.035 -2.237 -16.363 1.00 0.00 C ATOM 1081 NH1 ARG A 603 5.004 -1.447 -16.628 1.00 0.00 N ATOM 1082 NH2 ARG A 603 6.725 -2.777 -17.359 1.00 0.00 N ATOM 0 H ARG A 603 5.131 0.282 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 603 4.061 -0.669 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.423 -0.141 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.584 -1.357 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.512 -2.101 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG A 603 6.235 -3.153 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 603 4.690 -2.398 -13.869 1.00 0.00 H new ATOM 0 HD3 ARG A 603 5.513 -0.867 -14.099 1.00 0.00 H new ATOM 0 HE ARG A 603 7.177 -3.098 -14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 603 4.472 -1.029 -15.864 1.00 0.00 H new ATOM 0 HH12 ARG A 603 4.743 -1.257 -17.595 1.00 0.00 H new ATOM 0 HH21 ARG A 603 7.519 -3.385 -17.159 1.00 0.00 H new ATOM 0 HH22 ARG A 603 6.461 -2.585 -18.325 1.00 0.00 H new ATOM 1096 N LEU A 604 3.609 -2.618 -9.759 1.00 0.00 N ATOM 1097 CA LEU A 604 3.068 -3.900 -9.320 1.00 0.00 C ATOM 1098 C LEU A 604 1.545 -3.856 -9.260 1.00 0.00 C ATOM 1099 O LEU A 604 0.914 -4.696 -8.618 1.00 0.00 O ATOM 1100 CB LEU A 604 3.633 -4.270 -7.947 1.00 0.00 C ATOM 1101 CG LEU A 604 5.145 -4.483 -7.879 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.607 -4.572 -6.432 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.543 -5.737 -8.646 1.00 0.00 C ATOM 0 H LEU A 604 3.640 -1.902 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 604 3.363 -4.659 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.365 -3.483 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.142 -5.182 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 604 5.634 -3.627 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.686 -4.724 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.357 -3.647 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.110 -5.409 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.623 -5.872 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.044 -6.603 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.247 -5.634 -9.690 1.00 0.00 H new ATOM 1115 N HIS A 605 0.959 -2.872 -9.937 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.491 -2.720 -9.963 1.00 0.00 C ATOM 1117 C HIS A 605 -1.147 -3.899 -10.676 1.00 0.00 C ATOM 1118 O HIS A 605 -0.546 -4.519 -11.553 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.875 -1.412 -10.655 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.312 -1.034 -10.464 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.051 -1.415 -9.365 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.146 -0.302 -11.241 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.277 -0.935 -9.473 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.361 -0.256 -10.604 1.00 0.00 N ATOM 0 H HIS A 605 1.466 -2.169 -10.474 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.849 -2.696 -8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.243 -0.610 -10.274 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.670 -1.501 -11.722 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.901 0.160 -12.186 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.075 -1.074 -8.759 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.193 0.224 -10.947 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.383 -4.202 -10.294 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.120 -5.307 -10.894 1.00 0.00 C ATOM 1134 C ARG A 606 -2.289 -6.586 -10.881 1.00 0.00 C ATOM 1135 O ARG A 606 -2.319 -7.369 -11.831 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.519 -4.960 -12.331 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.364 -3.701 -12.441 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.605 -3.318 -13.893 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.513 -2.516 -14.437 1.00 0.00 N ATOM 1140 CZ ARG A 606 -3.486 -2.063 -15.685 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.484 -2.331 -16.514 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -2.456 -1.338 -16.106 1.00 0.00 N ATOM 0 H ARG A 606 -2.895 -3.697 -9.571 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.021 -5.474 -10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.617 -4.835 -12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.072 -5.797 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.320 -3.858 -11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.866 -2.880 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.724 -4.222 -14.491 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.538 -2.760 -13.970 1.00 0.00 H new ATOM 0 HE ARG A 606 -2.728 -2.291 -13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.277 -2.887 -16.194 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -4.459 -1.981 -17.472 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.686 -1.129 -15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -2.435 -0.990 -17.065 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.546 -6.791 -9.798 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.706 -7.975 -9.660 1.00 0.00 C ATOM 1158 C LYS A 607 -1.522 -9.166 -9.166 1.00 0.00 C ATOM 1159 O LYS A 607 -2.682 -9.020 -8.780 1.00 0.00 O ATOM 1160 CB LYS A 607 0.447 -7.697 -8.693 1.00 0.00 C ATOM 1161 CG LYS A 607 1.688 -7.145 -9.370 1.00 0.00 C ATOM 1162 CD LYS A 607 2.423 -8.221 -10.151 1.00 0.00 C ATOM 1163 CE LYS A 607 3.578 -7.639 -10.953 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.104 -6.689 -11.998 1.00 0.00 N ATOM 0 H LYS A 607 -1.509 -6.153 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.299 -8.218 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.112 -6.989 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.706 -8.620 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.407 -6.334 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.354 -6.720 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.801 -8.977 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.728 -8.722 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.265 -7.126 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.137 -8.448 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 3.438 -7.004 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.064 -6.659 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.478 -5.739 -11.799 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.907 -10.344 -9.178 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.574 -11.561 -8.729 1.00 0.00 C ATOM 1180 C LYS A 608 -0.903 -12.119 -7.479 1.00 0.00 C ATOM 1181 O LYS A 608 0.136 -12.776 -7.560 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.563 -12.612 -9.841 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.248 -12.156 -11.117 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.446 -13.310 -12.086 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.747 -12.811 -13.492 1.00 0.00 C ATOM 1186 NZ LYS A 608 -1.503 -12.584 -14.278 1.00 0.00 N ATOM 0 H LYS A 608 0.053 -10.482 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.606 -11.312 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.530 -12.877 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.052 -13.516 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.214 -11.713 -10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.652 -11.378 -11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.550 -13.930 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.264 -13.941 -11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.375 -13.537 -14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.315 -11.882 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -1.751 -12.245 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -0.915 -11.873 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -0.974 -13.476 -14.355 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.503 -11.856 -6.323 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.965 -12.334 -5.055 1.00 0.00 C ATOM 1202 C LEU A 609 -1.734 -13.555 -4.562 1.00 0.00 C ATOM 1203 O LEU A 609 -2.906 -13.457 -4.199 1.00 0.00 O ATOM 1204 CB LEU A 609 -1.020 -11.224 -4.004 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.194 -11.456 -2.738 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.075 -10.171 -1.934 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.812 -12.561 -1.894 1.00 0.00 C ATOM 0 H LEU A 609 -2.363 -11.314 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 609 0.074 -12.623 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.685 -10.296 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -2.060 -11.078 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 609 0.808 -11.768 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.516 -10.356 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.413 -9.407 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.069 -9.827 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -0.211 -12.713 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.825 -12.277 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.843 -13.485 -2.471 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.067 -14.705 -4.550 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.688 -15.944 -4.100 1.00 0.00 C ATOM 1221 C ASN A 610 -2.875 -16.312 -4.986 1.00 0.00 C ATOM 1222 O ASN A 610 -3.812 -16.974 -4.544 1.00 0.00 O ATOM 1223 CB ASN A 610 -2.144 -15.812 -2.646 1.00 0.00 C ATOM 1224 CG ASN A 610 -2.358 -17.159 -1.982 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.683 -18.145 -2.644 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -2.175 -17.206 -0.668 1.00 0.00 N ATOM 0 H ASN A 610 -0.096 -14.804 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.945 -16.739 -4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.400 -15.248 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -3.072 -15.241 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -2.304 -18.085 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.906 -16.363 -0.160 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.827 -15.877 -6.242 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.902 -16.169 -7.170 1.00 0.00 C ATOM 1235 C GLY A 611 -5.034 -15.165 -7.081 1.00 0.00 C ATOM 1236 O GLY A 611 -6.131 -15.410 -7.584 1.00 0.00 O ATOM 0 H GLY A 611 -2.062 -15.327 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.508 -16.178 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.290 -17.168 -6.969 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.769 -14.032 -6.439 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.774 -12.988 -6.283 1.00 0.00 C ATOM 1242 C ARG A 612 -5.277 -11.664 -6.854 1.00 0.00 C ATOM 1243 O ARG A 612 -4.151 -11.246 -6.588 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.137 -12.815 -4.807 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.275 -13.712 -4.349 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.612 -13.238 -4.896 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.628 -14.286 -4.844 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.228 -14.673 -3.724 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.917 -14.101 -2.570 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -11.143 -15.634 -3.758 1.00 0.00 N ATOM 0 H ARG A 612 -3.866 -13.814 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.663 -13.291 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.256 -13.021 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.411 -11.775 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.088 -14.735 -4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.311 -13.728 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.952 -12.375 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.485 -12.907 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 612 -9.891 -14.746 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.215 -13.361 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -10.379 -14.400 -1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.386 -16.076 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.603 -15.931 -2.897 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.125 -11.009 -7.642 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.770 -9.733 -8.252 1.00 0.00 C ATOM 1266 C GLU A 613 -5.741 -8.620 -7.208 1.00 0.00 C ATOM 1267 O GLU A 613 -6.772 -8.264 -6.638 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.761 -9.380 -9.363 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.615 -10.244 -10.605 1.00 0.00 C ATOM 1270 CD GLU A 613 -5.525 -9.750 -11.536 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -4.548 -9.149 -11.040 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -5.649 -9.963 -12.760 1.00 0.00 O ATOM 0 H GLU A 613 -7.062 -11.341 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.773 -9.830 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.776 -9.480 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.626 -8.334 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.395 -11.269 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.564 -10.265 -11.142 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.554 -8.077 -6.963 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.391 -7.004 -5.990 1.00 0.00 C ATOM 1281 C ALA A 614 -4.376 -5.641 -6.672 1.00 0.00 C ATOM 1282 O ALA A 614 -4.063 -5.533 -7.858 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.115 -7.209 -5.187 1.00 0.00 C ATOM 0 H ALA A 614 -3.690 -8.362 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.243 -7.031 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.006 -6.400 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.166 -8.162 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.258 -7.212 -5.860 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.715 -4.602 -5.917 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.742 -3.245 -6.450 1.00 0.00 C ATOM 1291 C PHE A 615 -3.836 -2.323 -5.639 1.00 0.00 C ATOM 1292 O PHE A 615 -4.057 -2.108 -4.448 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.173 -2.702 -6.448 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.092 -3.431 -7.386 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.691 -3.725 -8.680 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.356 -3.821 -6.976 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.536 -4.394 -9.546 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.204 -4.492 -7.836 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.793 -4.780 -9.124 1.00 0.00 C ATOM 0 H PHE A 615 -4.975 -4.674 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.374 -3.277 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.575 -2.764 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.153 -1.646 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.708 -3.428 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.683 -3.598 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.213 -4.615 -10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.187 -4.791 -7.502 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.453 -5.305 -9.798 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.812 -1.783 -6.293 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.871 -0.886 -5.635 1.00 0.00 C ATOM 1311 C VAL A 616 -2.191 0.571 -5.950 1.00 0.00 C ATOM 1312 O VAL A 616 -2.152 0.991 -7.107 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.421 -1.184 -6.057 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.559 -0.431 -5.171 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.151 -2.681 -6.013 1.00 0.00 C ATOM 0 H VAL A 616 -2.614 -1.952 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 616 -1.970 -1.054 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.282 -0.842 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.579 -0.654 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.379 0.641 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.423 -0.739 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.879 -2.874 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.308 -3.049 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.830 -3.193 -6.694 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.507 1.340 -4.912 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.832 2.752 -5.078 1.00 0.00 C ATOM 1327 C HIS A 617 -1.699 3.635 -4.563 1.00 0.00 C ATOM 1328 O HIS A 617 -1.407 3.653 -3.367 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.130 3.087 -4.343 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.362 2.643 -5.069 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.097 1.537 -4.697 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -5.988 3.164 -6.150 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.122 1.396 -5.519 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.079 2.371 -6.411 1.00 0.00 N ATOM 0 H HIS A 617 -2.545 1.009 -3.948 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.965 2.947 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.111 2.620 -3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.180 4.164 -4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.686 4.040 -6.704 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.868 0.617 -5.470 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.747 2.511 -7.169 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.064 4.365 -5.474 1.00 0.00 N ATOM 1343 CA VAL A 618 0.038 5.250 -5.112 1.00 0.00 C ATOM 1344 C VAL A 618 -0.480 6.563 -4.538 1.00 0.00 C ATOM 1345 O VAL A 618 -0.957 7.429 -5.272 1.00 0.00 O ATOM 1346 CB VAL A 618 0.938 5.551 -6.325 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.920 6.665 -5.998 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.672 4.294 -6.768 1.00 0.00 C ATOM 0 H VAL A 618 -1.293 4.361 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 618 0.626 4.732 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 618 0.308 5.886 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.547 6.864 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.370 7.568 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.547 6.363 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.303 4.525 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 618 2.292 3.927 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.948 3.529 -7.046 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.382 6.707 -3.220 1.00 0.00 N ATOM 1359 CA VAL A 619 -0.839 7.916 -2.546 1.00 0.00 C ATOM 1360 C VAL A 619 0.296 8.572 -1.765 1.00 0.00 C ATOM 1361 O VAL A 619 1.393 8.022 -1.663 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.004 7.618 -1.585 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.214 7.108 -2.353 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.576 6.615 -0.523 1.00 0.00 C ATOM 0 H VAL A 619 0.010 6.000 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.185 8.599 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.285 8.545 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.027 6.903 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.533 7.863 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.950 6.192 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.412 6.416 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.267 5.686 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.742 7.023 0.048 1.00 0.00 H new ATOM 1374 N THR A 620 0.023 9.750 -1.212 1.00 0.00 N ATOM 1375 CA THR A 620 1.019 10.480 -0.441 1.00 0.00 C ATOM 1376 C THR A 620 0.954 10.107 1.036 1.00 0.00 C ATOM 1377 O THR A 620 -0.107 9.747 1.549 1.00 0.00 O ATOM 1378 CB THR A 620 0.834 12.003 -0.582 1.00 0.00 C ATOM 1379 OG1 THR A 620 -0.463 12.384 -0.109 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.999 12.436 -2.030 1.00 0.00 C ATOM 0 H THR A 620 -0.880 10.218 -1.285 1.00 0.00 H new ATOM 0 HA THR A 620 1.994 10.201 -0.841 1.00 0.00 H new ATOM 0 HB THR A 620 1.599 12.497 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 620 -0.573 13.354 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.864 13.515 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.997 12.170 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 620 0.254 11.934 -2.647 1.00 0.00 H new ATOM 1388 N LEU A 621 2.093 10.195 1.715 1.00 0.00 N ATOM 1389 CA LEU A 621 2.164 9.867 3.134 1.00 0.00 C ATOM 1390 C LEU A 621 0.950 10.411 3.880 1.00 0.00 C ATOM 1391 O LEU A 621 0.324 9.700 4.668 1.00 0.00 O ATOM 1392 CB LEU A 621 3.447 10.432 3.745 1.00 0.00 C ATOM 1393 CG LEU A 621 3.475 10.541 5.270 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.188 9.189 5.906 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.816 11.081 5.742 1.00 0.00 C ATOM 0 H LEU A 621 2.979 10.491 1.306 1.00 0.00 H new ATOM 0 HA LEU A 621 2.170 8.781 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.282 9.805 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.618 11.424 3.327 1.00 0.00 H new ATOM 0 HG LEU A 621 2.697 11.238 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.212 9.285 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.203 8.842 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.943 8.470 5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.817 11.152 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.612 10.409 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.981 12.070 5.314 1.00 0.00 H new ATOM 1407 N GLU A 622 0.622 11.673 3.627 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.518 12.311 4.275 1.00 0.00 C ATOM 1409 C GLU A 622 -1.797 11.512 4.036 1.00 0.00 C ATOM 1410 O GLU A 622 -2.549 11.231 4.969 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.694 13.741 3.757 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.500 14.630 4.689 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.867 15.958 4.054 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -0.946 16.728 3.713 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -3.077 16.225 3.899 1.00 0.00 O ATOM 0 H GLU A 622 1.129 12.274 2.978 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.323 12.342 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 622 0.289 14.186 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.185 13.708 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.410 14.109 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.927 14.812 5.598 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.034 11.149 2.781 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.221 10.381 2.419 1.00 0.00 C ATOM 1424 C ASP A 623 -3.170 8.984 3.028 1.00 0.00 C ATOM 1425 O ASP A 623 -4.201 8.332 3.195 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.345 10.284 0.897 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.149 11.426 0.307 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -3.689 12.584 0.398 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.237 11.162 -0.245 1.00 0.00 O ATOM 0 H ASP A 623 -1.421 11.373 1.997 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.095 10.898 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.349 10.278 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.817 9.337 0.634 1.00 0.00 H new ATOM 1434 N MET A 624 -1.966 8.530 3.358 1.00 0.00 N ATOM 1435 CA MET A 624 -1.782 7.210 3.949 1.00 0.00 C ATOM 1436 C MET A 624 -2.081 7.237 5.444 1.00 0.00 C ATOM 1437 O MET A 624 -2.801 6.382 5.960 1.00 0.00 O ATOM 1438 CB MET A 624 -0.355 6.715 3.711 1.00 0.00 C ATOM 1439 CG MET A 624 -0.004 5.466 4.504 1.00 0.00 C ATOM 1440 SD MET A 624 0.560 5.839 6.175 1.00 0.00 S ATOM 1441 CE MET A 624 2.173 5.061 6.169 1.00 0.00 C ATOM 0 H MET A 624 -1.103 9.057 3.226 1.00 0.00 H new ATOM 0 HA MET A 624 -2.481 6.525 3.469 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.223 6.510 2.649 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.344 7.509 3.972 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.878 4.816 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.774 4.913 3.977 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.497 4.888 7.195 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.116 4.109 5.641 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.889 5.712 5.667 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.524 8.226 6.136 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.730 8.365 7.573 1.00 0.00 C ATOM 1453 C ARG A 625 -3.216 8.312 7.916 1.00 0.00 C ATOM 1454 O ARG A 625 -3.603 7.776 8.955 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.126 9.678 8.072 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.936 9.727 9.579 1.00 0.00 C ATOM 1457 CD ARG A 625 -2.173 10.270 10.279 1.00 0.00 C ATOM 1458 NE ARG A 625 -1.858 10.824 11.594 1.00 0.00 N ATOM 1459 CZ ARG A 625 -1.598 10.079 12.663 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -1.613 8.756 12.572 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -1.321 10.658 13.824 1.00 0.00 N ATOM 0 H ARG A 625 -0.926 8.943 5.725 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.230 7.533 8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.162 9.832 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.770 10.503 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.715 8.727 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.077 10.353 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -2.630 11.042 9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.908 9.472 10.388 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.837 11.839 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -1.824 8.309 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -1.413 8.186 13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.308 11.675 13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -1.121 10.086 14.644 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.041 8.872 7.039 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.484 8.890 7.251 1.00 0.00 C ATOM 1477 C GLU A 626 -6.064 7.481 7.163 1.00 0.00 C ATOM 1478 O GLU A 626 -6.889 7.088 7.987 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.162 9.798 6.222 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.272 11.247 6.669 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.261 12.039 5.836 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -7.334 11.797 4.613 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.961 12.902 6.407 1.00 0.00 O ATOM 0 H GLU A 626 -3.736 9.319 6.175 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.674 9.281 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.602 9.756 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.160 9.414 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.576 11.279 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.291 11.718 6.608 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.626 6.729 6.159 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.101 5.366 5.964 1.00 0.00 C ATOM 1492 C ILE A 627 -5.777 4.492 7.172 1.00 0.00 C ATOM 1493 O ILE A 627 -6.552 3.609 7.537 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.484 4.729 4.704 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -5.759 5.603 3.479 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.035 3.326 4.496 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -4.984 5.181 2.250 1.00 0.00 C ATOM 0 H ILE A 627 -4.943 7.041 5.469 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.182 5.424 5.840 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.405 4.657 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -6.825 5.574 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.511 6.637 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.590 2.889 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.793 2.708 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.117 3.374 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.228 5.844 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -3.915 5.237 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.250 4.157 1.986 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.627 4.747 7.787 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.201 3.984 8.955 1.00 0.00 C ATOM 1511 C GLU A 628 -5.110 4.263 10.148 1.00 0.00 C ATOM 1512 O GLU A 628 -5.728 3.352 10.700 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.752 4.323 9.313 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.163 3.421 10.384 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.604 1.978 10.240 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.197 1.329 9.254 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -3.357 1.498 11.112 1.00 0.00 O ATOM 0 H GLU A 628 -3.974 5.475 7.497 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.268 2.924 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.139 4.254 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.703 5.357 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -1.075 3.471 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.457 3.790 11.366 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.186 5.530 10.544 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.019 5.931 11.670 1.00 0.00 C ATOM 1526 C LYS A 629 -7.474 5.533 11.441 1.00 0.00 C ATOM 1527 O LYS A 629 -8.157 5.084 12.361 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.922 7.443 11.891 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.906 8.243 11.054 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.895 9.713 11.439 1.00 0.00 C ATOM 1531 CE LYS A 629 -7.716 9.968 12.694 1.00 0.00 C ATOM 1532 NZ LYS A 629 -9.170 10.079 12.394 1.00 0.00 N ATOM 0 H LYS A 629 -4.680 6.296 10.100 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.655 5.416 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.094 7.660 12.945 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -4.909 7.772 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.656 8.140 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -7.910 7.839 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -5.868 10.039 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.292 10.308 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -7.553 9.158 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -7.373 10.886 13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -9.694 10.253 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -9.329 10.868 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -9.504 9.194 11.961 1.00 0.00 H new