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 557 LYS NZ :NH3+ -145:sc= -0.173 (180deg=-0.825) USER MOD Set 1.2: A 558 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot 14:sc= -1.32 USER MOD Single : A 547 HIS : no HE2:sc= -8.23! K(o=-8.2!,f=-5.3) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7.4!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 562 GLN : amide:sc= -0.0571 K(o=-0.057,f=-0.74!) USER MOD Single : A 572 ASN : amide:sc= -0.044 K(o=-0.044,f=-1.8!) USER MOD Single : A 575 HIS : no HE2:sc= -0.315 K(o=-0.32,f=-1.5) USER MOD Single : A 587 GLN : amide:sc= -0.0195 K(o=-0.02,f=-3!) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 LYS NZ :NH3+ -150:sc= -0.0259 (180deg=-1.01) USER MOD Single : A 594 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.67) USER MOD Single : A 600 LYS NZ :NH3+ 157:sc= -0.485 (180deg=-1.62!) USER MOD Single : A 601 SER OG : rot -46:sc= 1.07 USER MOD Single : A 605 HIS : no HD1:sc= -1.03 K(o=-1,f=-5.3!) USER MOD Single : A 607 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0791) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.907 K(o=-0.91,f=-2.9) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot -83:sc= 1.19 USER MOD Single : A 624 MET CE :methyl -111:sc= 0 (180deg=-1.01) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.042 15.271 -1.641 1.00 0.00 N ATOM 142 CA ALA A 542 4.581 14.323 -2.609 1.00 0.00 C ATOM 143 C ALA A 542 4.047 12.918 -2.356 1.00 0.00 C ATOM 144 O ALA A 542 3.704 12.565 -1.227 1.00 0.00 O ATOM 145 CB ALA A 542 6.102 14.328 -2.560 1.00 0.00 C ATOM 0 HA ALA A 542 4.259 14.633 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.492 13.616 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.470 15.326 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.435 14.045 -1.561 1.00 0.00 H new ATOM 151 N LYS A 543 3.975 12.118 -3.415 1.00 0.00 N ATOM 152 CA LYS A 543 3.482 10.750 -3.310 1.00 0.00 C ATOM 153 C LYS A 543 4.606 9.796 -2.919 1.00 0.00 C ATOM 154 O LYS A 543 5.449 9.443 -3.743 1.00 0.00 O ATOM 155 CB LYS A 543 2.860 10.307 -4.635 1.00 0.00 C ATOM 156 CG LYS A 543 1.422 10.762 -4.815 1.00 0.00 C ATOM 157 CD LYS A 543 1.048 10.861 -6.285 1.00 0.00 C ATOM 158 CE LYS A 543 1.515 12.175 -6.891 1.00 0.00 C ATOM 159 NZ LYS A 543 0.938 12.397 -8.245 1.00 0.00 N ATOM 0 H LYS A 543 4.252 12.394 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 543 2.719 10.724 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.461 10.696 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.899 9.220 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.753 10.062 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.284 11.732 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.492 10.029 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 543 -0.033 10.773 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 543 1.231 12.998 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 543 2.603 12.179 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 1.280 13.303 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 1.230 11.625 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.100 12.419 -8.181 1.00 0.00 H new ATOM 173 N VAL A 544 4.609 9.379 -1.656 1.00 0.00 N ATOM 174 CA VAL A 544 5.628 8.462 -1.157 1.00 0.00 C ATOM 175 C VAL A 544 4.999 7.314 -0.376 1.00 0.00 C ATOM 176 O VAL A 544 5.612 6.763 0.539 1.00 0.00 O ATOM 177 CB VAL A 544 6.642 9.189 -0.253 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.481 10.163 -1.066 1.00 0.00 C ATOM 179 CG2 VAL A 544 5.925 9.908 0.880 1.00 0.00 C ATOM 0 H VAL A 544 3.918 9.661 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 544 6.149 8.063 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 544 7.311 8.447 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.191 10.667 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.024 9.619 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.830 10.903 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.656 10.416 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.232 10.640 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.373 9.184 1.479 1.00 0.00 H new ATOM 189 N CYS A 545 3.773 6.958 -0.744 1.00 0.00 N ATOM 190 CA CYS A 545 3.060 5.874 -0.078 1.00 0.00 C ATOM 191 C CYS A 545 2.239 5.068 -1.079 1.00 0.00 C ATOM 192 O CYS A 545 1.849 5.576 -2.130 1.00 0.00 O ATOM 193 CB CYS A 545 2.148 6.432 1.015 1.00 0.00 C ATOM 194 SG CYS A 545 3.023 6.971 2.503 1.00 0.00 S ATOM 0 H CYS A 545 3.253 7.404 -1.499 1.00 0.00 H new ATOM 0 HA CYS A 545 3.797 5.212 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.588 7.275 0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.420 5.669 1.291 1.00 0.00 H new ATOM 0 HG CYS A 545 4.297 7.047 2.254 1.00 0.00 H new ATOM 200 N ALA A 546 1.982 3.806 -0.746 1.00 0.00 N ATOM 201 CA ALA A 546 1.208 2.929 -1.615 1.00 0.00 C ATOM 202 C ALA A 546 0.304 2.009 -0.802 1.00 0.00 C ATOM 203 O ALA A 546 0.754 1.349 0.135 1.00 0.00 O ATOM 204 CB ALA A 546 2.135 2.112 -2.502 1.00 0.00 C ATOM 0 H ALA A 546 2.299 3.369 0.120 1.00 0.00 H new ATOM 0 HA ALA A 546 0.575 3.552 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.543 1.462 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.735 2.783 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.793 1.505 -1.880 1.00 0.00 H new ATOM 210 N HIS A 547 -0.974 1.970 -1.165 1.00 0.00 N ATOM 211 CA HIS A 547 -1.942 1.130 -0.469 1.00 0.00 C ATOM 212 C HIS A 547 -2.259 -0.122 -1.281 1.00 0.00 C ATOM 213 O HIS A 547 -2.565 -0.039 -2.471 1.00 0.00 O ATOM 214 CB HIS A 547 -3.226 1.914 -0.196 1.00 0.00 C ATOM 215 CG HIS A 547 -4.239 1.147 0.597 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.581 1.121 0.279 1.00 0.00 N ATOM 217 CD2 HIS A 547 -4.100 0.373 1.698 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.222 0.366 1.152 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.347 -0.100 2.024 1.00 0.00 N ATOM 0 H HIS A 547 -1.363 2.511 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.503 0.824 0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.976 2.830 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.670 2.211 -1.146 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -6.011 1.609 -0.507 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -3.179 0.166 2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.283 0.164 1.153 1.00 0.00 H new ATOM 227 N ILE A 548 -2.183 -1.278 -0.632 1.00 0.00 N ATOM 228 CA ILE A 548 -2.463 -2.545 -1.293 1.00 0.00 C ATOM 229 C ILE A 548 -3.796 -3.124 -0.833 1.00 0.00 C ATOM 230 O ILE A 548 -3.979 -3.431 0.346 1.00 0.00 O ATOM 231 CB ILE A 548 -1.349 -3.576 -1.029 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.026 -2.916 -1.147 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.468 -4.744 -1.998 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.157 -3.778 -0.630 1.00 0.00 C ATOM 0 H ILE A 548 -1.929 -1.363 0.352 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.510 -2.339 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.461 -3.958 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.214 -2.672 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.017 -1.975 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.674 -5.464 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.437 -5.227 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.378 -4.379 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.102 -3.246 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 548 0.992 -4.001 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.193 -4.709 -1.196 1.00 0.00 H new ATOM 246 N THR A 549 -4.726 -3.274 -1.771 1.00 0.00 N ATOM 247 CA THR A 549 -6.043 -3.817 -1.463 1.00 0.00 C ATOM 248 C THR A 549 -6.345 -5.045 -2.314 1.00 0.00 C ATOM 249 O THR A 549 -5.542 -5.439 -3.158 1.00 0.00 O ATOM 250 CB THR A 549 -7.149 -2.768 -1.683 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.020 -2.186 -2.986 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.078 -1.677 -0.626 1.00 0.00 C ATOM 0 H THR A 549 -4.591 -3.027 -2.751 1.00 0.00 H new ATOM 0 HA THR A 549 -6.028 -4.103 -0.411 1.00 0.00 H new ATOM 0 HB THR A 549 -8.114 -3.268 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.728 -1.521 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.869 -0.948 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.205 -2.119 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.109 -1.181 -0.679 1.00 0.00 H new ATOM 260 N ASN A 550 -7.510 -5.643 -2.089 1.00 0.00 N ATOM 261 CA ASN A 550 -7.918 -6.827 -2.837 1.00 0.00 C ATOM 262 C ASN A 550 -6.989 -8.001 -2.547 1.00 0.00 C ATOM 263 O ASN A 550 -6.677 -8.794 -3.437 1.00 0.00 O ATOM 264 CB ASN A 550 -7.929 -6.528 -4.337 1.00 0.00 C ATOM 265 CG ASN A 550 -8.542 -7.656 -5.147 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.827 -8.730 -4.617 1.00 0.00 O ATOM 267 ND2 ASN A 550 -8.745 -7.415 -6.436 1.00 0.00 N ATOM 0 H ASN A 550 -8.188 -5.328 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.925 -7.098 -2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.487 -5.609 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.908 -6.353 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.153 -8.136 -7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.493 -6.509 -6.831 1.00 0.00 H new ATOM 274 N ILE A 551 -6.549 -8.107 -1.298 1.00 0.00 N ATOM 275 CA ILE A 551 -5.657 -9.185 -0.891 1.00 0.00 C ATOM 276 C ILE A 551 -6.350 -10.136 0.079 1.00 0.00 C ATOM 277 O ILE A 551 -7.256 -9.755 0.821 1.00 0.00 O ATOM 278 CB ILE A 551 -4.378 -8.639 -0.230 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.705 -8.021 1.131 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.710 -7.614 -1.135 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.481 -7.591 1.909 1.00 0.00 C ATOM 0 H ILE A 551 -6.796 -7.459 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.385 -9.727 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.685 -9.466 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -5.353 -7.157 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.267 -8.743 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.807 -7.237 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.447 -8.082 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.396 -6.787 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.788 -7.162 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.842 -8.456 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.930 -6.845 1.337 1.00 0.00 H new ATOM 293 N PRO A 552 -5.915 -11.405 0.077 1.00 0.00 N ATOM 294 CA PRO A 552 -6.478 -12.437 0.952 1.00 0.00 C ATOM 295 C PRO A 552 -6.013 -12.289 2.397 1.00 0.00 C ATOM 296 O PRO A 552 -4.841 -12.021 2.658 1.00 0.00 O ATOM 297 CB PRO A 552 -5.948 -13.741 0.352 1.00 0.00 C ATOM 298 CG PRO A 552 -4.671 -13.359 -0.315 1.00 0.00 C ATOM 299 CD PRO A 552 -4.839 -11.930 -0.781 1.00 0.00 C ATOM 0 HA PRO A 552 -7.566 -12.383 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.782 -14.493 1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.655 -14.165 -0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.832 -13.446 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.461 -14.019 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.918 -11.359 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.109 -11.882 -1.836 1.00 0.00 H new ATOM 307 N PHE A 553 -6.941 -12.462 3.333 1.00 0.00 N ATOM 308 CA PHE A 553 -6.627 -12.347 4.752 1.00 0.00 C ATOM 309 C PHE A 553 -6.071 -13.660 5.295 1.00 0.00 C ATOM 310 O PHE A 553 -6.300 -14.013 6.451 1.00 0.00 O ATOM 311 CB PHE A 553 -7.873 -11.943 5.541 1.00 0.00 C ATOM 312 CG PHE A 553 -9.124 -12.636 5.082 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.911 -12.087 4.083 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.513 -13.839 5.650 1.00 0.00 C ATOM 315 CE1 PHE A 553 -11.062 -12.722 3.660 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.664 -14.480 5.231 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.438 -13.921 4.233 1.00 0.00 C ATOM 0 H PHE A 553 -7.917 -12.682 3.134 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.866 -11.575 4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.712 -12.163 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.013 -10.865 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.621 -11.151 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -8.910 -14.281 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -11.668 -12.281 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -10.957 -15.416 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.336 -14.421 3.901 1.00 0.00 H new ATOM 327 N SER A 554 -5.339 -14.381 4.450 1.00 0.00 N ATOM 328 CA SER A 554 -4.754 -15.657 4.842 1.00 0.00 C ATOM 329 C SER A 554 -3.238 -15.542 4.971 1.00 0.00 C ATOM 330 O SER A 554 -2.628 -16.177 5.832 1.00 0.00 O ATOM 331 CB SER A 554 -5.110 -16.741 3.822 1.00 0.00 C ATOM 332 OG SER A 554 -5.000 -18.034 4.391 1.00 0.00 O ATOM 0 H SER A 554 -5.138 -14.102 3.490 1.00 0.00 H new ATOM 0 HA SER A 554 -5.164 -15.934 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 554 -6.126 -16.585 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.449 -16.663 2.959 1.00 0.00 H new ATOM 0 HG SER A 554 -5.234 -18.708 3.719 1.00 0.00 H new ATOM 338 N ILE A 555 -2.637 -14.730 4.109 1.00 0.00 N ATOM 339 CA ILE A 555 -1.192 -14.531 4.127 1.00 0.00 C ATOM 340 C ILE A 555 -0.759 -13.764 5.371 1.00 0.00 C ATOM 341 O ILE A 555 -1.589 -13.219 6.100 1.00 0.00 O ATOM 342 CB ILE A 555 -0.714 -13.772 2.876 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.127 -12.301 2.956 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.274 -14.418 1.617 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.561 -11.452 1.839 1.00 0.00 C ATOM 0 H ILE A 555 -3.127 -14.199 3.389 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.736 -15.521 4.137 1.00 0.00 H new ATOM 0 HB ILE A 555 0.374 -13.822 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.215 -12.236 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.801 -11.892 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.927 -13.870 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.934 -15.452 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.363 -14.396 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.895 -10.422 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.528 -11.486 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.907 -11.835 0.879 1.00 0.00 H new ATOM 357 N THR A 556 0.548 -13.722 5.608 1.00 0.00 N ATOM 358 CA THR A 556 1.094 -13.021 6.764 1.00 0.00 C ATOM 359 C THR A 556 1.958 -11.841 6.333 1.00 0.00 C ATOM 360 O THR A 556 2.496 -11.823 5.225 1.00 0.00 O ATOM 361 CB THR A 556 1.934 -13.962 7.647 1.00 0.00 C ATOM 362 OG1 THR A 556 2.908 -14.644 6.849 1.00 0.00 O ATOM 363 CG2 THR A 556 1.047 -14.977 8.352 1.00 0.00 C ATOM 0 H THR A 556 1.249 -14.165 5.014 1.00 0.00 H new ATOM 0 HA THR A 556 0.245 -12.655 7.342 1.00 0.00 H new ATOM 0 HB THR A 556 2.441 -13.360 8.401 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.439 -15.239 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.662 -15.631 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.326 -14.455 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.516 -15.573 7.610 1.00 0.00 H new ATOM 371 N LYS A 557 2.088 -10.856 7.215 1.00 0.00 N ATOM 372 CA LYS A 557 2.889 -9.672 6.927 1.00 0.00 C ATOM 373 C LYS A 557 4.112 -10.032 6.090 1.00 0.00 C ATOM 374 O LYS A 557 4.451 -9.331 5.137 1.00 0.00 O ATOM 375 CB LYS A 557 3.330 -9.000 8.230 1.00 0.00 C ATOM 376 CG LYS A 557 4.113 -7.717 8.018 1.00 0.00 C ATOM 377 CD LYS A 557 5.604 -7.984 7.906 1.00 0.00 C ATOM 378 CE LYS A 557 6.284 -7.934 9.265 1.00 0.00 C ATOM 379 NZ LYS A 557 7.739 -8.236 9.170 1.00 0.00 N ATOM 0 H LYS A 557 1.649 -10.854 8.136 1.00 0.00 H new ATOM 0 HA LYS A 557 2.272 -8.977 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.448 -8.782 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 557 3.942 -9.699 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 557 3.762 -7.222 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.926 -7.035 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.766 -8.962 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.058 -7.247 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.146 -6.946 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.808 -8.649 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 8.041 -8.759 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 7.919 -8.813 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 8.274 -7.347 9.103 1.00 0.00 H new ATOM 393 N MET A 558 4.769 -11.129 6.451 1.00 0.00 N ATOM 394 CA MET A 558 5.953 -11.584 5.730 1.00 0.00 C ATOM 395 C MET A 558 5.638 -11.807 4.255 1.00 0.00 C ATOM 396 O MET A 558 6.396 -11.389 3.379 1.00 0.00 O ATOM 397 CB MET A 558 6.489 -12.875 6.350 1.00 0.00 C ATOM 398 CG MET A 558 7.423 -12.641 7.527 1.00 0.00 C ATOM 399 SD MET A 558 8.949 -11.809 7.048 1.00 0.00 S ATOM 400 CE MET A 558 9.596 -11.339 8.650 1.00 0.00 C ATOM 0 H MET A 558 4.502 -11.720 7.238 1.00 0.00 H new ATOM 0 HA MET A 558 6.715 -10.809 5.807 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.649 -13.487 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 558 7.017 -13.444 5.585 1.00 0.00 H new ATOM 0 HG2 MET A 558 6.909 -12.044 8.280 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.665 -13.598 7.989 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.523 -10.782 8.519 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.868 -10.715 9.168 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.791 -12.234 9.240 1.00 0.00 H new ATOM 410 N ASP A 559 4.517 -12.466 3.987 1.00 0.00 N ATOM 411 CA ASP A 559 4.102 -12.744 2.617 1.00 0.00 C ATOM 412 C ASP A 559 4.070 -11.463 1.788 1.00 0.00 C ATOM 413 O ASP A 559 4.484 -11.451 0.629 1.00 0.00 O ATOM 414 CB ASP A 559 2.725 -13.410 2.603 1.00 0.00 C ATOM 415 CG ASP A 559 2.788 -14.877 2.978 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.792 -15.535 2.634 1.00 0.00 O ATOM 417 OD2 ASP A 559 1.832 -15.368 3.616 1.00 0.00 O ATOM 0 H ASP A 559 3.879 -12.818 4.700 1.00 0.00 H new ATOM 0 HA ASP A 559 4.830 -13.424 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.065 -12.889 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.286 -13.310 1.610 1.00 0.00 H new ATOM 422 N VAL A 560 3.574 -10.387 2.391 1.00 0.00 N ATOM 423 CA VAL A 560 3.489 -9.101 1.710 1.00 0.00 C ATOM 424 C VAL A 560 4.872 -8.583 1.335 1.00 0.00 C ATOM 425 O VAL A 560 5.164 -8.351 0.161 1.00 0.00 O ATOM 426 CB VAL A 560 2.778 -8.049 2.583 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.866 -6.673 1.941 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.329 -8.445 2.819 1.00 0.00 C ATOM 0 H VAL A 560 3.225 -10.381 3.349 1.00 0.00 H new ATOM 0 HA VAL A 560 2.908 -9.263 0.802 1.00 0.00 H new ATOM 0 HB VAL A 560 3.281 -8.004 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.358 -5.944 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 560 3.913 -6.390 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.390 -6.698 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.842 -7.691 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.812 -8.519 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.293 -9.409 3.327 1.00 0.00 H new ATOM 438 N LEU A 561 5.723 -8.405 2.340 1.00 0.00 N ATOM 439 CA LEU A 561 7.079 -7.916 2.117 1.00 0.00 C ATOM 440 C LEU A 561 7.716 -8.603 0.913 1.00 0.00 C ATOM 441 O LEU A 561 8.532 -8.010 0.209 1.00 0.00 O ATOM 442 CB LEU A 561 7.937 -8.146 3.362 1.00 0.00 C ATOM 443 CG LEU A 561 7.420 -7.519 4.658 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.359 -7.832 5.812 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.254 -6.016 4.495 1.00 0.00 C ATOM 0 H LEU A 561 5.498 -8.592 3.317 1.00 0.00 H new ATOM 0 HA LEU A 561 7.023 -6.847 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.037 -9.220 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 561 8.936 -7.757 3.167 1.00 0.00 H new ATOM 0 HG LEU A 561 6.444 -7.949 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.976 -7.378 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.426 -8.912 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.349 -7.430 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.885 -5.587 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.216 -5.569 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 561 6.541 -5.813 3.696 1.00 0.00 H new ATOM 457 N GLN A 562 7.334 -9.856 0.683 1.00 0.00 N ATOM 458 CA GLN A 562 7.866 -10.622 -0.437 1.00 0.00 C ATOM 459 C GLN A 562 7.313 -10.107 -1.761 1.00 0.00 C ATOM 460 O GLN A 562 8.059 -9.898 -2.718 1.00 0.00 O ATOM 461 CB GLN A 562 7.530 -12.106 -0.272 1.00 0.00 C ATOM 462 CG GLN A 562 7.862 -12.944 -1.495 1.00 0.00 C ATOM 463 CD GLN A 562 9.354 -13.041 -1.749 1.00 0.00 C ATOM 464 OE1 GLN A 562 9.939 -12.185 -2.412 1.00 0.00 O ATOM 465 NE2 GLN A 562 9.979 -14.087 -1.221 1.00 0.00 N ATOM 0 H GLN A 562 6.659 -10.361 1.257 1.00 0.00 H new ATOM 0 HA GLN A 562 8.949 -10.501 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.074 -12.500 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.468 -12.207 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.453 -13.946 -1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 562 7.376 -12.512 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.455 -14.773 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 562 10.983 -14.204 -1.359 1.00 0.00 H new ATOM 474 N PHE A 563 6.001 -9.905 -1.809 1.00 0.00 N ATOM 475 CA PHE A 563 5.347 -9.415 -3.018 1.00 0.00 C ATOM 476 C PHE A 563 6.039 -8.158 -3.539 1.00 0.00 C ATOM 477 O PHE A 563 5.989 -7.858 -4.733 1.00 0.00 O ATOM 478 CB PHE A 563 3.871 -9.121 -2.742 1.00 0.00 C ATOM 479 CG PHE A 563 3.213 -8.297 -3.811 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.367 -6.921 -3.837 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.441 -8.899 -4.792 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.762 -6.160 -4.820 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.834 -8.144 -5.778 1.00 0.00 C ATOM 484 CZ PHE A 563 1.996 -6.773 -5.792 1.00 0.00 C ATOM 0 H PHE A 563 5.369 -10.073 -1.026 1.00 0.00 H new ATOM 0 HA PHE A 563 5.419 -10.191 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.334 -10.064 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.785 -8.600 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.967 -6.437 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.312 -9.971 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.888 -5.087 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.234 -8.626 -6.536 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.524 -6.181 -6.562 1.00 0.00 H new ATOM 494 N LEU A 564 6.682 -7.427 -2.636 1.00 0.00 N ATOM 495 CA LEU A 564 7.384 -6.202 -3.003 1.00 0.00 C ATOM 496 C LEU A 564 8.817 -6.502 -3.429 1.00 0.00 C ATOM 497 O LEU A 564 9.680 -5.624 -3.400 1.00 0.00 O ATOM 498 CB LEU A 564 7.382 -5.219 -1.831 1.00 0.00 C ATOM 499 CG LEU A 564 6.030 -4.605 -1.472 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.075 -3.988 -0.082 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.624 -3.565 -2.507 1.00 0.00 C ATOM 0 H LEU A 564 6.732 -7.661 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 564 6.861 -5.752 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.770 -5.733 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.076 -4.410 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 564 5.282 -5.398 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.103 -3.556 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.319 -4.758 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.836 -3.208 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.659 -3.138 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.373 -2.774 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.549 -4.037 -3.487 1.00 0.00 H new ATOM 513 N GLU A 565 9.064 -7.747 -3.826 1.00 0.00 N ATOM 514 CA GLU A 565 10.393 -8.161 -4.259 1.00 0.00 C ATOM 515 C GLU A 565 10.938 -7.214 -5.324 1.00 0.00 C ATOM 516 O GLU A 565 10.274 -6.936 -6.322 1.00 0.00 O ATOM 517 CB GLU A 565 10.354 -9.591 -4.804 1.00 0.00 C ATOM 518 CG GLU A 565 11.684 -10.065 -5.363 1.00 0.00 C ATOM 519 CD GLU A 565 12.765 -10.149 -4.303 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.500 -10.735 -3.232 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.875 -9.631 -4.544 1.00 0.00 O ATOM 0 H GLU A 565 8.361 -8.486 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 565 11.056 -8.127 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.043 -10.266 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.598 -9.652 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 565 11.553 -11.045 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.006 -9.385 -6.152 1.00 0.00 H new ATOM 528 N GLY A 566 12.153 -6.721 -5.103 1.00 0.00 N ATOM 529 CA GLY A 566 12.767 -5.810 -6.052 1.00 0.00 C ATOM 530 C GLY A 566 12.919 -4.408 -5.494 1.00 0.00 C ATOM 531 O GLY A 566 13.932 -3.749 -5.724 1.00 0.00 O ATOM 0 H GLY A 566 12.723 -6.936 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.747 -6.193 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.163 -5.773 -6.959 1.00 0.00 H new ATOM 535 N ILE A 567 11.909 -3.953 -4.761 1.00 0.00 N ATOM 536 CA ILE A 567 11.935 -2.621 -4.170 1.00 0.00 C ATOM 537 C ILE A 567 12.551 -2.649 -2.775 1.00 0.00 C ATOM 538 O ILE A 567 12.125 -3.401 -1.897 1.00 0.00 O ATOM 539 CB ILE A 567 10.521 -2.016 -4.082 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.978 -1.729 -5.484 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.540 -0.746 -3.245 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.501 -1.405 -5.504 1.00 0.00 C ATOM 0 H ILE A 567 11.063 -4.487 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 567 12.548 -1.999 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 567 9.862 -2.737 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.531 -0.894 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.161 -2.595 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.534 -0.330 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.890 -0.978 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.210 -0.018 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.185 -1.213 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.938 -2.248 -5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.314 -0.521 -4.895 1.00 0.00 H new ATOM 554 N PRO A 568 13.577 -1.812 -2.563 1.00 0.00 N ATOM 555 CA PRO A 568 14.271 -1.721 -1.276 1.00 0.00 C ATOM 556 C PRO A 568 13.485 -0.915 -0.248 1.00 0.00 C ATOM 557 O PRO A 568 13.510 0.316 -0.258 1.00 0.00 O ATOM 558 CB PRO A 568 15.579 -1.007 -1.628 1.00 0.00 C ATOM 559 CG PRO A 568 15.249 -0.181 -2.823 1.00 0.00 C ATOM 560 CD PRO A 568 14.136 -0.888 -3.564 1.00 0.00 C ATOM 0 HA PRO A 568 14.413 -2.701 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.926 -0.387 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.373 -1.721 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.937 0.820 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.124 -0.064 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.384 -0.185 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.513 -1.423 -4.436 1.00 0.00 H new ATOM 568 N VAL A 569 12.786 -1.616 0.639 1.00 0.00 N ATOM 569 CA VAL A 569 11.993 -0.965 1.675 1.00 0.00 C ATOM 570 C VAL A 569 12.075 -1.730 2.991 1.00 0.00 C ATOM 571 O VAL A 569 12.074 -2.961 3.008 1.00 0.00 O ATOM 572 CB VAL A 569 10.515 -0.842 1.256 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.874 -2.218 1.150 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.755 0.035 2.239 1.00 0.00 C ATOM 0 H VAL A 569 12.753 -2.635 0.661 1.00 0.00 H new ATOM 0 HA VAL A 569 12.408 0.033 1.812 1.00 0.00 H new ATOM 0 HB VAL A 569 10.471 -0.371 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.831 -2.111 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.405 -2.810 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.927 -2.719 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.713 0.111 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.805 -0.406 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.201 1.029 2.260 1.00 0.00 H new ATOM 584 N ASP A 570 12.144 -0.991 4.094 1.00 0.00 N ATOM 585 CA ASP A 570 12.225 -1.600 5.417 1.00 0.00 C ATOM 586 C ASP A 570 10.933 -2.335 5.757 1.00 0.00 C ATOM 587 O ASP A 570 9.885 -2.070 5.169 1.00 0.00 O ATOM 588 CB ASP A 570 12.514 -0.533 6.475 1.00 0.00 C ATOM 589 CG ASP A 570 13.981 -0.157 6.533 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.761 -0.909 7.154 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.350 0.888 5.959 1.00 0.00 O ATOM 0 H ASP A 570 12.145 0.029 4.098 1.00 0.00 H new ATOM 0 HA ASP A 570 13.041 -2.323 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.922 0.357 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.197 -0.899 7.452 1.00 0.00 H new ATOM 596 N GLU A 571 11.016 -3.259 6.709 1.00 0.00 N ATOM 597 CA GLU A 571 9.852 -4.033 7.125 1.00 0.00 C ATOM 598 C GLU A 571 8.825 -3.142 7.818 1.00 0.00 C ATOM 599 O GLU A 571 7.625 -3.256 7.574 1.00 0.00 O ATOM 600 CB GLU A 571 10.275 -5.167 8.062 1.00 0.00 C ATOM 601 CG GLU A 571 11.428 -6.000 7.527 1.00 0.00 C ATOM 602 CD GLU A 571 11.495 -7.376 8.161 1.00 0.00 C ATOM 603 OE1 GLU A 571 11.283 -7.476 9.387 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.762 -8.354 7.430 1.00 0.00 O ATOM 0 H GLU A 571 11.876 -3.490 7.206 1.00 0.00 H new ATOM 0 HA GLU A 571 9.393 -4.460 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.560 -4.744 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.419 -5.818 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 571 11.325 -6.106 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 571 12.366 -5.475 7.707 1.00 0.00 H new ATOM 611 N ASN A 572 9.308 -2.256 8.684 1.00 0.00 N ATOM 612 CA ASN A 572 8.433 -1.345 9.413 1.00 0.00 C ATOM 613 C ASN A 572 7.661 -0.447 8.453 1.00 0.00 C ATOM 614 O ASN A 572 6.514 -0.082 8.714 1.00 0.00 O ATOM 615 CB ASN A 572 9.247 -0.491 10.385 1.00 0.00 C ATOM 616 CG ASN A 572 9.533 -1.211 11.690 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.115 -2.353 11.884 1.00 0.00 O ATOM 618 ND2 ASN A 572 10.246 -0.546 12.589 1.00 0.00 N ATOM 0 H ASN A 572 10.300 -2.150 8.898 1.00 0.00 H new ATOM 0 HA ASN A 572 7.717 -1.943 9.977 1.00 0.00 H new ATOM 0 HB2 ASN A 572 10.189 -0.209 9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.706 0.432 10.594 1.00 0.00 H new ATOM 0 HD21 ASN A 572 10.469 -0.979 13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 572 10.571 0.399 12.384 1.00 0.00 H new ATOM 625 N ALA A 573 8.297 -0.093 7.340 1.00 0.00 N ATOM 626 CA ALA A 573 7.669 0.760 6.340 1.00 0.00 C ATOM 627 C ALA A 573 6.315 0.204 5.915 1.00 0.00 C ATOM 628 O ALA A 573 5.434 0.948 5.483 1.00 0.00 O ATOM 629 CB ALA A 573 8.580 0.916 5.132 1.00 0.00 C ATOM 0 H ALA A 573 9.247 -0.384 7.109 1.00 0.00 H new ATOM 0 HA ALA A 573 7.505 1.740 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.098 1.556 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.522 1.367 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.773 -0.063 4.693 1.00 0.00 H new ATOM 635 N VAL A 574 6.155 -1.110 6.038 1.00 0.00 N ATOM 636 CA VAL A 574 4.907 -1.767 5.667 1.00 0.00 C ATOM 637 C VAL A 574 3.984 -1.913 6.871 1.00 0.00 C ATOM 638 O VAL A 574 4.313 -2.600 7.839 1.00 0.00 O ATOM 639 CB VAL A 574 5.164 -3.159 5.058 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.850 -3.853 4.739 1.00 0.00 C ATOM 641 CG2 VAL A 574 6.032 -3.043 3.814 1.00 0.00 C ATOM 0 H VAL A 574 6.874 -1.741 6.392 1.00 0.00 H new ATOM 0 HA VAL A 574 4.427 -1.135 4.920 1.00 0.00 H new ATOM 0 HB VAL A 574 5.698 -3.765 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 574 4.052 -4.834 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.269 -3.969 5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.286 -3.254 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 574 6.204 -4.035 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.527 -2.421 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.988 -2.590 4.078 1.00 0.00 H new ATOM 651 N HIS A 575 2.825 -1.266 6.804 1.00 0.00 N ATOM 652 CA HIS A 575 1.852 -1.325 7.890 1.00 0.00 C ATOM 653 C HIS A 575 0.629 -2.140 7.479 1.00 0.00 C ATOM 654 O HIS A 575 -0.171 -1.704 6.652 1.00 0.00 O ATOM 655 CB HIS A 575 1.426 0.086 8.298 1.00 0.00 C ATOM 656 CG HIS A 575 2.506 0.862 8.985 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.281 1.638 10.103 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.826 0.979 8.708 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.415 2.199 10.483 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.368 1.815 9.653 1.00 0.00 N ATOM 0 H HIS A 575 2.536 -0.695 6.010 1.00 0.00 H new ATOM 0 HA HIS A 575 2.324 -1.815 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 575 1.107 0.631 7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.562 0.019 8.959 1.00 0.00 H new ATOM 0 HD1 HIS A 575 1.380 1.760 10.564 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.354 0.503 7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.541 2.859 11.328 1.00 0.00 H new ATOM 668 N VAL A 576 0.492 -3.326 8.063 1.00 0.00 N ATOM 669 CA VAL A 576 -0.633 -4.203 7.758 1.00 0.00 C ATOM 670 C VAL A 576 -1.796 -3.956 8.712 1.00 0.00 C ATOM 671 O VAL A 576 -1.598 -3.751 9.910 1.00 0.00 O ATOM 672 CB VAL A 576 -0.227 -5.686 7.835 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.419 -6.582 7.541 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.918 -5.975 6.876 1.00 0.00 C ATOM 0 H VAL A 576 1.146 -3.702 8.750 1.00 0.00 H new ATOM 0 HA VAL A 576 -0.946 -3.973 6.740 1.00 0.00 H new ATOM 0 HB VAL A 576 0.115 -5.899 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.112 -7.626 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.205 -6.393 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.795 -6.370 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.192 -7.028 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.606 -5.746 5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.778 -5.359 7.139 1.00 0.00 H new ATOM 684 N LEU A 577 -3.011 -3.977 8.173 1.00 0.00 N ATOM 685 CA LEU A 577 -4.208 -3.754 8.977 1.00 0.00 C ATOM 686 C LEU A 577 -4.603 -5.024 9.725 1.00 0.00 C ATOM 687 O LEU A 577 -4.112 -6.112 9.426 1.00 0.00 O ATOM 688 CB LEU A 577 -5.364 -3.291 8.088 1.00 0.00 C ATOM 689 CG LEU A 577 -5.256 -1.872 7.532 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.420 -1.572 6.601 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.203 -0.857 8.665 1.00 0.00 C ATOM 0 H LEU A 577 -3.193 -4.146 7.184 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.987 -2.976 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.451 -3.982 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.289 -3.366 8.660 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.331 -1.797 6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.325 -0.557 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.413 -2.278 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.358 -1.666 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.126 0.148 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.110 -0.934 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.335 -1.058 9.293 1.00 0.00 H new ATOM 809 N GLY A 586 -7.579 -7.866 4.845 1.00 0.00 N ATOM 810 CA GLY A 586 -7.064 -7.930 3.490 1.00 0.00 C ATOM 811 C GLY A 586 -6.662 -6.569 2.957 1.00 0.00 C ATOM 812 O GLY A 586 -7.098 -6.164 1.880 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.202 -8.596 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.822 -8.363 2.837 1.00 0.00 H new ATOM 816 N GLN A 587 -5.832 -5.860 3.715 1.00 0.00 N ATOM 817 CA GLN A 587 -5.374 -4.535 3.314 1.00 0.00 C ATOM 818 C GLN A 587 -4.087 -4.159 4.041 1.00 0.00 C ATOM 819 O GLN A 587 -3.955 -4.382 5.244 1.00 0.00 O ATOM 820 CB GLN A 587 -6.456 -3.491 3.595 1.00 0.00 C ATOM 821 CG GLN A 587 -7.759 -3.752 2.857 1.00 0.00 C ATOM 822 CD GLN A 587 -8.767 -2.634 3.040 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.818 -1.693 2.249 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.577 -2.734 4.088 1.00 0.00 N ATOM 0 H GLN A 587 -5.463 -6.181 4.610 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.171 -4.558 2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.654 -3.464 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.081 -2.507 3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.551 -3.879 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.192 -4.688 3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.499 -3.532 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.277 -2.013 4.262 1.00 0.00 H new ATOM 833 N ALA A 588 -3.140 -3.590 3.302 1.00 0.00 N ATOM 834 CA ALA A 588 -1.864 -3.182 3.878 1.00 0.00 C ATOM 835 C ALA A 588 -1.347 -1.907 3.220 1.00 0.00 C ATOM 836 O ALA A 588 -1.509 -1.710 2.015 1.00 0.00 O ATOM 837 CB ALA A 588 -0.842 -4.301 3.741 1.00 0.00 C ATOM 0 H ALA A 588 -3.232 -3.401 2.304 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.021 -2.975 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.106 -3.983 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.201 -5.188 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.698 -4.535 2.686 1.00 0.00 H new ATOM 843 N LEU A 589 -0.727 -1.046 4.017 1.00 0.00 N ATOM 844 CA LEU A 589 -0.186 0.212 3.511 1.00 0.00 C ATOM 845 C LEU A 589 1.338 0.169 3.464 1.00 0.00 C ATOM 846 O LEU A 589 1.969 -0.634 4.151 1.00 0.00 O ATOM 847 CB LEU A 589 -0.647 1.377 4.389 1.00 0.00 C ATOM 848 CG LEU A 589 -2.130 1.740 4.297 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.540 2.614 5.473 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.426 2.443 2.979 1.00 0.00 C ATOM 0 H LEU A 589 -0.586 -1.194 5.016 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.559 0.358 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.416 1.137 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 589 -0.061 2.258 4.127 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.713 0.820 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.598 2.862 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.365 2.076 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.951 3.531 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.486 2.694 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.834 3.355 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.171 1.783 2.150 1.00 0.00 H new ATOM 862 N VAL A 590 1.924 1.040 2.648 1.00 0.00 N ATOM 863 CA VAL A 590 3.374 1.105 2.513 1.00 0.00 C ATOM 864 C VAL A 590 3.863 2.549 2.516 1.00 0.00 C ATOM 865 O VAL A 590 3.308 3.403 1.825 1.00 0.00 O ATOM 866 CB VAL A 590 3.848 0.417 1.219 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.364 0.302 1.199 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.200 -0.951 1.075 1.00 0.00 C ATOM 0 H VAL A 590 1.416 1.710 2.071 1.00 0.00 H new ATOM 0 HA VAL A 590 3.795 0.581 3.371 1.00 0.00 H new ATOM 0 HB VAL A 590 3.543 1.030 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.680 -0.187 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.805 1.297 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.695 -0.287 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.546 -1.423 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.472 -1.574 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.116 -0.838 1.039 1.00 0.00 H new ATOM 878 N GLN A 591 4.903 2.814 3.299 1.00 0.00 N ATOM 879 CA GLN A 591 5.467 4.155 3.393 1.00 0.00 C ATOM 880 C GLN A 591 6.906 4.178 2.887 1.00 0.00 C ATOM 881 O GLN A 591 7.798 3.589 3.499 1.00 0.00 O ATOM 882 CB GLN A 591 5.413 4.654 4.837 1.00 0.00 C ATOM 883 CG GLN A 591 5.708 6.139 4.980 1.00 0.00 C ATOM 884 CD GLN A 591 6.303 6.488 6.329 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.487 6.258 6.578 1.00 0.00 O ATOM 886 NE2 GLN A 591 5.483 7.050 7.211 1.00 0.00 N ATOM 0 H GLN A 591 5.372 2.118 3.878 1.00 0.00 H new ATOM 0 HA GLN A 591 4.871 4.817 2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.424 4.447 5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.130 4.091 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.397 6.446 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.787 6.704 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 591 4.509 7.223 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 591 5.828 7.308 8.135 1.00 0.00 H new ATOM 895 N PHE A 592 7.125 4.860 1.768 1.00 0.00 N ATOM 896 CA PHE A 592 8.455 4.958 1.181 1.00 0.00 C ATOM 897 C PHE A 592 9.138 6.260 1.593 1.00 0.00 C ATOM 898 O PHE A 592 8.484 7.204 2.035 1.00 0.00 O ATOM 899 CB PHE A 592 8.370 4.875 -0.344 1.00 0.00 C ATOM 900 CG PHE A 592 7.880 3.547 -0.847 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.704 2.433 -0.815 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.597 3.412 -1.350 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.257 1.209 -1.275 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.145 2.190 -1.812 1.00 0.00 C ATOM 905 CZ PHE A 592 6.975 1.088 -1.775 1.00 0.00 C ATOM 0 H PHE A 592 6.398 5.353 1.250 1.00 0.00 H new ATOM 0 HA PHE A 592 9.050 4.123 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.705 5.659 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.355 5.073 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.707 2.523 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 592 5.942 4.270 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.909 0.348 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.142 2.098 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.623 0.133 -2.136 1.00 0.00 H new ATOM 915 N LYS A 593 10.458 6.301 1.445 1.00 0.00 N ATOM 916 CA LYS A 593 11.231 7.485 1.800 1.00 0.00 C ATOM 917 C LYS A 593 11.299 8.462 0.631 1.00 0.00 C ATOM 918 O LYS A 593 11.291 9.676 0.824 1.00 0.00 O ATOM 919 CB LYS A 593 12.645 7.086 2.228 1.00 0.00 C ATOM 920 CG LYS A 593 12.676 6.116 3.397 1.00 0.00 C ATOM 921 CD LYS A 593 14.095 5.680 3.723 1.00 0.00 C ATOM 922 CE LYS A 593 14.754 6.625 4.716 1.00 0.00 C ATOM 923 NZ LYS A 593 15.371 7.799 4.040 1.00 0.00 N ATOM 0 H LYS A 593 11.015 5.527 1.081 1.00 0.00 H new ATOM 0 HA LYS A 593 10.731 7.978 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.159 6.635 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.201 7.984 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.229 6.586 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.071 5.241 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.081 4.670 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 593 14.685 5.643 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.012 6.970 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.518 6.087 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 16.191 8.125 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.681 7.527 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 14.673 8.567 3.971 1.00 0.00 H new ATOM 937 N ASN A 594 11.364 7.923 -0.582 1.00 0.00 N ATOM 938 CA ASN A 594 11.433 8.747 -1.783 1.00 0.00 C ATOM 939 C ASN A 594 10.688 8.087 -2.939 1.00 0.00 C ATOM 940 O ASN A 594 10.670 6.862 -3.060 1.00 0.00 O ATOM 941 CB ASN A 594 12.891 8.994 -2.174 1.00 0.00 C ATOM 942 CG ASN A 594 13.799 9.126 -0.968 1.00 0.00 C ATOM 943 OD1 ASN A 594 14.403 8.149 -0.522 1.00 0.00 O ATOM 944 ND2 ASN A 594 13.902 10.336 -0.433 1.00 0.00 N ATOM 0 H ASN A 594 11.370 6.919 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 594 10.956 9.703 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.240 8.173 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.954 9.902 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.500 10.485 0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 594 13.384 11.117 -0.835 1.00 0.00 H new ATOM 951 N GLU A 595 10.076 8.908 -3.786 1.00 0.00 N ATOM 952 CA GLU A 595 9.329 8.403 -4.933 1.00 0.00 C ATOM 953 C GLU A 595 10.110 7.305 -5.650 1.00 0.00 C ATOM 954 O GLU A 595 9.526 6.376 -6.209 1.00 0.00 O ATOM 955 CB GLU A 595 9.017 9.541 -5.907 1.00 0.00 C ATOM 956 CG GLU A 595 8.325 10.726 -5.256 1.00 0.00 C ATOM 957 CD GLU A 595 9.306 11.758 -4.733 1.00 0.00 C ATOM 958 OE1 GLU A 595 9.791 12.579 -5.541 1.00 0.00 O ATOM 959 OE2 GLU A 595 9.590 11.745 -3.518 1.00 0.00 O ATOM 0 H GLU A 595 10.082 9.924 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 595 8.393 7.980 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.946 9.880 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.386 9.159 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.660 11.196 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 595 7.703 10.372 -4.434 1.00 0.00 H new ATOM 966 N ASP A 596 11.434 7.419 -5.630 1.00 0.00 N ATOM 967 CA ASP A 596 12.296 6.437 -6.276 1.00 0.00 C ATOM 968 C ASP A 596 11.775 5.021 -6.047 1.00 0.00 C ATOM 969 O ASP A 596 11.902 4.155 -6.913 1.00 0.00 O ATOM 970 CB ASP A 596 13.727 6.558 -5.751 1.00 0.00 C ATOM 971 CG ASP A 596 14.680 5.603 -6.442 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.809 4.451 -5.975 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.296 6.006 -7.450 1.00 0.00 O ATOM 0 H ASP A 596 11.933 8.182 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 596 12.292 6.637 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.077 7.581 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.735 6.362 -4.679 1.00 0.00 H new ATOM 978 N ASP A 597 11.188 4.795 -4.877 1.00 0.00 N ATOM 979 CA ASP A 597 10.648 3.485 -4.533 1.00 0.00 C ATOM 980 C ASP A 597 9.163 3.404 -4.871 1.00 0.00 C ATOM 981 O ASP A 597 8.684 2.387 -5.372 1.00 0.00 O ATOM 982 CB ASP A 597 10.862 3.195 -3.047 1.00 0.00 C ATOM 983 CG ASP A 597 12.297 3.423 -2.613 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.213 3.059 -3.380 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.504 3.964 -1.507 1.00 0.00 O ATOM 0 H ASP A 597 11.074 5.502 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 597 11.178 2.735 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.202 3.831 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.582 2.163 -2.837 1.00 0.00 H new ATOM 990 N ALA A 598 8.439 4.483 -4.592 1.00 0.00 N ATOM 991 CA ALA A 598 7.008 4.534 -4.866 1.00 0.00 C ATOM 992 C ALA A 598 6.725 4.300 -6.347 1.00 0.00 C ATOM 993 O ALA A 598 5.976 3.393 -6.709 1.00 0.00 O ATOM 994 CB ALA A 598 6.433 5.871 -4.422 1.00 0.00 C ATOM 0 H ALA A 598 8.820 5.333 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 598 6.525 3.737 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.364 5.895 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.595 5.999 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.928 6.678 -4.963 1.00 0.00 H new ATOM 1000 N ARG A 599 7.327 5.125 -7.198 1.00 0.00 N ATOM 1001 CA ARG A 599 7.137 5.008 -8.638 1.00 0.00 C ATOM 1002 C ARG A 599 7.252 3.554 -9.086 1.00 0.00 C ATOM 1003 O ARG A 599 6.735 3.173 -10.137 1.00 0.00 O ATOM 1004 CB ARG A 599 8.166 5.863 -9.380 1.00 0.00 C ATOM 1005 CG ARG A 599 7.816 7.342 -9.417 1.00 0.00 C ATOM 1006 CD ARG A 599 6.628 7.611 -10.328 1.00 0.00 C ATOM 1007 NE ARG A 599 6.967 7.427 -11.737 1.00 0.00 N ATOM 1008 CZ ARG A 599 6.857 6.266 -12.373 1.00 0.00 C ATOM 1009 NH1 ARG A 599 6.419 5.192 -11.731 1.00 0.00 N ATOM 1010 NH2 ARG A 599 7.184 6.177 -13.656 1.00 0.00 N ATOM 0 H ARG A 599 7.950 5.881 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 599 6.135 5.366 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.139 5.740 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.262 5.495 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.589 7.688 -8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.678 7.912 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 599 5.808 6.943 -10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 599 6.273 8.630 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 599 7.307 8.234 -12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 599 6.165 5.255 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 599 6.336 4.302 -12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 599 7.520 7.001 -14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 599 7.099 5.285 -14.143 1.00 0.00 H new ATOM 1024 N LYS A 600 7.933 2.745 -8.282 1.00 0.00 N ATOM 1025 CA LYS A 600 8.116 1.332 -8.592 1.00 0.00 C ATOM 1026 C LYS A 600 7.030 0.485 -7.937 1.00 0.00 C ATOM 1027 O LYS A 600 6.560 -0.496 -8.514 1.00 0.00 O ATOM 1028 CB LYS A 600 9.496 0.860 -8.127 1.00 0.00 C ATOM 1029 CG LYS A 600 10.646 1.560 -8.829 1.00 0.00 C ATOM 1030 CD LYS A 600 11.920 1.501 -8.004 1.00 0.00 C ATOM 1031 CE LYS A 600 12.746 0.269 -8.342 1.00 0.00 C ATOM 1032 NZ LYS A 600 12.889 0.082 -9.813 1.00 0.00 N ATOM 0 H LYS A 600 8.368 3.044 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 600 8.043 1.212 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.584 1.023 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.579 -0.214 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.818 1.095 -9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.380 2.600 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.513 2.398 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.668 1.492 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.734 0.359 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.276 -0.613 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.734 -0.491 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.048 -0.403 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 12.985 1.010 -10.273 1.00 0.00 H new ATOM 1046 N SER A 601 6.633 0.872 -6.729 1.00 0.00 N ATOM 1047 CA SER A 601 5.604 0.147 -5.994 1.00 0.00 C ATOM 1048 C SER A 601 4.276 0.177 -6.745 1.00 0.00 C ATOM 1049 O SER A 601 3.396 -0.649 -6.505 1.00 0.00 O ATOM 1050 CB SER A 601 5.427 0.746 -4.597 1.00 0.00 C ATOM 1051 OG SER A 601 4.719 1.973 -4.654 1.00 0.00 O ATOM 0 H SER A 601 7.009 1.684 -6.239 1.00 0.00 H new ATOM 0 HA SER A 601 5.924 -0.891 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.890 0.042 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.404 0.907 -4.140 1.00 0.00 H new ATOM 0 HG SER A 601 5.091 2.532 -5.368 1.00 0.00 H new ATOM 1057 N GLU A 602 4.141 1.138 -7.654 1.00 0.00 N ATOM 1058 CA GLU A 602 2.920 1.277 -8.440 1.00 0.00 C ATOM 1059 C GLU A 602 2.998 0.446 -9.717 1.00 0.00 C ATOM 1060 O GLU A 602 2.015 0.318 -10.447 1.00 0.00 O ATOM 1061 CB GLU A 602 2.677 2.747 -8.789 1.00 0.00 C ATOM 1062 CG GLU A 602 3.349 3.185 -10.079 1.00 0.00 C ATOM 1063 CD GLU A 602 2.480 2.948 -11.299 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.251 3.149 -11.202 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.030 2.563 -12.352 1.00 0.00 O ATOM 0 H GLU A 602 4.860 1.830 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 602 2.087 0.911 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.604 2.920 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 602 3.038 3.370 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.596 4.245 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.289 2.645 -10.196 1.00 0.00 H new ATOM 1072 N ARG A 603 4.172 -0.116 -9.980 1.00 0.00 N ATOM 1073 CA ARG A 603 4.380 -0.934 -11.170 1.00 0.00 C ATOM 1074 C ARG A 603 3.851 -2.348 -10.956 1.00 0.00 C ATOM 1075 O ARG A 603 3.671 -3.107 -11.909 1.00 0.00 O ATOM 1076 CB ARG A 603 5.866 -0.981 -11.529 1.00 0.00 C ATOM 1077 CG ARG A 603 6.158 -1.745 -12.810 1.00 0.00 C ATOM 1078 CD ARG A 603 7.653 -1.938 -13.015 1.00 0.00 C ATOM 1079 NE ARG A 603 7.942 -3.027 -13.944 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.747 -2.945 -15.256 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.265 -1.831 -15.789 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.035 -3.979 -16.036 1.00 0.00 N ATOM 0 H ARG A 603 4.995 -0.020 -9.385 1.00 0.00 H new ATOM 0 HA ARG A 603 3.829 -0.480 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.239 0.038 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.415 -1.441 -10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.666 -2.717 -12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.740 -1.206 -13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.089 -1.014 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.127 -2.145 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 603 8.314 -3.898 -13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 603 7.043 -1.034 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.116 -1.770 -16.796 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.406 -4.837 -15.629 1.00 0.00 H new ATOM 0 HH22 ARG A 603 7.885 -3.916 -17.043 1.00 0.00 H new ATOM 1096 N LEU A 604 3.605 -2.698 -9.698 1.00 0.00 N ATOM 1097 CA LEU A 604 3.098 -4.023 -9.358 1.00 0.00 C ATOM 1098 C LEU A 604 1.573 -4.040 -9.363 1.00 0.00 C ATOM 1099 O LEU A 604 0.950 -5.004 -8.915 1.00 0.00 O ATOM 1100 CB LEU A 604 3.619 -4.454 -7.986 1.00 0.00 C ATOM 1101 CG LEU A 604 5.139 -4.535 -7.841 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.526 -4.740 -6.384 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.699 -5.654 -8.706 1.00 0.00 C ATOM 0 H LEU A 604 3.748 -2.083 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 604 3.454 -4.725 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.239 -3.756 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.199 -5.432 -7.751 1.00 0.00 H new ATOM 0 HG LEU A 604 5.568 -3.592 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.611 -4.795 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.158 -3.904 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.086 -5.668 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.782 -5.696 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.263 -6.605 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.453 -5.464 -9.751 1.00 0.00 H new ATOM 1115 N HIS A 605 0.976 -2.968 -9.873 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.477 -2.860 -9.939 1.00 0.00 C ATOM 1117 C HIS A 605 -1.064 -3.958 -10.822 1.00 0.00 C ATOM 1118 O HIS A 605 -0.451 -4.368 -11.808 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.884 -1.486 -10.475 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.363 -1.248 -10.451 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.217 -1.899 -9.585 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.140 -0.425 -11.193 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.453 -1.486 -9.795 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.433 -0.591 -10.766 1.00 0.00 N ATOM 0 H HIS A 605 1.476 -2.161 -10.247 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.872 -2.980 -8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.390 -0.714 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.524 -1.383 -11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.804 0.239 -11.976 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.331 -1.823 -9.263 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.247 -0.102 -11.138 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.253 -4.428 -10.461 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.921 -5.479 -11.219 1.00 0.00 C ATOM 1134 C ARG A 606 -2.089 -6.759 -11.224 1.00 0.00 C ATOM 1135 O ARG A 606 -2.094 -7.513 -12.196 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.175 -5.019 -12.656 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.016 -3.757 -12.751 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.277 -3.369 -14.198 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.195 -2.560 -14.752 1.00 0.00 N ATOM 1140 CZ ARG A 606 -3.333 -1.775 -15.814 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.502 -1.695 -16.436 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -2.301 -1.069 -16.259 1.00 0.00 N ATOM 0 H ARG A 606 -2.774 -4.098 -9.648 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.876 -5.688 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.218 -4.846 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.673 -5.820 -13.202 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -4.965 -3.911 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.507 -2.940 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.399 -4.270 -14.798 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.213 -2.814 -14.261 1.00 0.00 H new ATOM 0 HE ARG A 606 -2.282 -2.600 -14.298 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.297 -2.237 -16.099 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -4.605 -1.091 -17.252 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.400 -1.129 -15.785 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -2.409 -0.467 -17.075 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.374 -6.997 -10.129 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.538 -8.185 -10.004 1.00 0.00 C ATOM 1158 C LYS A 607 -1.323 -9.341 -9.394 1.00 0.00 C ATOM 1159 O LYS A 607 -2.458 -9.170 -8.951 1.00 0.00 O ATOM 1160 CB LYS A 607 0.692 -7.879 -9.147 1.00 0.00 C ATOM 1161 CG LYS A 607 1.839 -7.262 -9.927 1.00 0.00 C ATOM 1162 CD LYS A 607 2.624 -8.314 -10.692 1.00 0.00 C ATOM 1163 CE LYS A 607 3.811 -7.704 -11.423 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.379 -6.765 -12.495 1.00 0.00 N ATOM 0 H LYS A 607 -1.357 -6.382 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.213 -8.478 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.405 -7.201 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 607 1.037 -8.801 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.449 -6.520 -10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.505 -6.737 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.976 -9.080 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.969 -8.808 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.444 -7.175 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.417 -8.499 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.205 -6.475 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.689 -7.237 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.941 -5.925 -12.065 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.709 -10.520 -9.371 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.348 -11.705 -8.812 1.00 0.00 C ATOM 1180 C LYS A 608 -0.665 -12.132 -7.516 1.00 0.00 C ATOM 1181 O LYS A 608 0.460 -12.631 -7.531 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.312 -12.855 -9.822 1.00 0.00 C ATOM 1183 CG LYS A 608 -1.939 -12.507 -11.162 1.00 0.00 C ATOM 1184 CD LYS A 608 -1.940 -13.700 -12.103 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.241 -13.282 -13.533 1.00 0.00 C ATOM 1186 NZ LYS A 608 -2.068 -14.409 -14.489 1.00 0.00 N ATOM 0 H LYS A 608 0.231 -10.680 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.386 -11.456 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.276 -13.155 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.831 -13.715 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -2.962 -12.163 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.391 -11.683 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -0.970 -14.196 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -2.682 -14.426 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.263 -12.908 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -1.583 -12.461 -13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -2.283 -14.083 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -1.086 -14.750 -14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -2.714 -15.183 -14.234 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.353 -11.933 -6.397 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.814 -12.299 -5.092 1.00 0.00 C ATOM 1202 C LEU A 609 -1.576 -13.480 -4.500 1.00 0.00 C ATOM 1203 O LEU A 609 -2.742 -13.356 -4.128 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.879 -11.105 -4.139 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.226 -11.302 -2.770 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.321 -10.027 -1.946 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.872 -12.465 -2.033 1.00 0.00 C ATOM 0 H LEU A 609 -2.285 -11.520 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 609 0.227 -12.593 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.406 -10.252 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.926 -10.845 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 609 0.828 -11.535 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.149 -10.185 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.189 -9.218 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.369 -9.763 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -0.395 -12.590 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.934 -12.262 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.751 -13.378 -2.617 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.907 -14.626 -4.413 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.520 -15.829 -3.864 1.00 0.00 C ATOM 1221 C ASN A 610 -2.728 -16.252 -4.695 1.00 0.00 C ATOM 1222 O ASN A 610 -3.676 -16.841 -4.176 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.943 -15.594 -2.412 1.00 0.00 C ATOM 1224 CG ASN A 610 -2.433 -16.862 -1.740 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.330 -17.954 -2.299 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -2.971 -16.723 -0.534 1.00 0.00 N ATOM 0 H ASN A 610 0.060 -14.746 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.781 -16.630 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.099 -15.192 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.732 -14.843 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -3.319 -17.541 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -3.036 -15.798 -0.108 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.687 -15.946 -5.988 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.782 -16.303 -6.870 1.00 0.00 C ATOM 1235 C GLY A 611 -4.934 -15.321 -6.788 1.00 0.00 C ATOM 1236 O GLY A 611 -6.060 -15.641 -7.170 1.00 0.00 O ATOM 0 H GLY A 611 -1.915 -15.457 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.418 -16.347 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.140 -17.301 -6.615 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.654 -14.122 -6.287 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.676 -13.091 -6.155 1.00 0.00 C ATOM 1242 C ARG A 612 -5.164 -11.747 -6.665 1.00 0.00 C ATOM 1243 O ARG A 612 -4.130 -11.256 -6.213 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.112 -12.961 -4.695 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.231 -13.915 -4.306 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.983 -13.421 -3.080 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.818 -14.466 -2.491 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.044 -14.750 -2.913 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.578 -14.071 -3.919 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.741 -15.715 -2.327 1.00 0.00 N ATOM 0 H ARG A 612 -3.728 -13.841 -5.966 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.534 -13.386 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.252 -13.141 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.439 -11.937 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.924 -14.024 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.816 -14.903 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.270 -13.065 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.607 -12.571 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.438 -15.006 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -10.046 -13.327 -4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.520 -14.292 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.335 -16.239 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.683 -15.933 -2.652 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.894 -11.161 -7.608 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.511 -9.875 -8.181 1.00 0.00 C ATOM 1266 C GLU A 613 -5.512 -8.784 -7.113 1.00 0.00 C ATOM 1267 O GLU A 613 -6.507 -8.580 -6.420 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.463 -9.494 -9.316 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.400 -10.438 -10.505 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.332 -11.625 -10.357 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.560 -11.435 -10.474 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -6.831 -12.745 -10.126 1.00 0.00 O ATOM 0 H GLU A 613 -6.753 -11.555 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.501 -9.969 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.483 -9.474 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.229 -8.484 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.656 -9.891 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -5.378 -10.796 -10.626 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.388 -8.086 -6.989 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.257 -7.015 -6.009 1.00 0.00 C ATOM 1281 C ALA A 614 -4.139 -5.658 -6.693 1.00 0.00 C ATOM 1282 O ALA A 614 -3.608 -5.551 -7.798 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.054 -7.263 -5.112 1.00 0.00 C ATOM 0 H ALA A 614 -3.554 -8.243 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.157 -7.006 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.969 -6.455 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.180 -8.210 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.149 -7.302 -5.719 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.639 -4.620 -6.029 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.592 -3.268 -6.573 1.00 0.00 C ATOM 1291 C PHE A 615 -3.711 -2.366 -5.714 1.00 0.00 C ATOM 1292 O PHE A 615 -3.801 -2.379 -4.485 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.003 -2.684 -6.667 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.920 -3.470 -7.559 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.458 -4.003 -8.752 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.243 -3.677 -7.205 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.301 -4.726 -9.575 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.090 -4.400 -8.024 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.618 -4.926 -9.210 1.00 0.00 C ATOM 0 H PHE A 615 -5.082 -4.690 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.161 -3.320 -7.573 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.435 -2.636 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.940 -1.660 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.429 -3.852 -9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.617 -3.269 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -6.930 -5.134 -10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.120 -4.553 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.277 -5.493 -9.851 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.858 -1.584 -6.367 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.961 -0.675 -5.665 1.00 0.00 C ATOM 1311 C VAL A 616 -2.285 0.779 -5.992 1.00 0.00 C ATOM 1312 O VAL A 616 -2.229 1.192 -7.150 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.489 -0.955 -6.020 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.425 0.053 -5.338 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.109 -2.376 -5.635 1.00 0.00 C ATOM 0 H VAL A 616 -2.769 -1.562 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.108 -0.845 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.367 -0.850 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.461 -0.160 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.167 1.059 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.302 -0.018 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.935 -2.556 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.246 -2.511 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.743 -3.081 -6.173 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.622 1.550 -4.964 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.953 2.960 -5.142 1.00 0.00 C ATOM 1327 C HIS A 617 -1.851 3.851 -4.579 1.00 0.00 C ATOM 1328 O HIS A 617 -1.491 3.747 -3.407 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.284 3.282 -4.461 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.481 2.831 -5.240 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.114 1.627 -5.018 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.160 3.432 -6.245 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.131 1.506 -5.852 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.181 2.588 -6.608 1.00 0.00 N ATOM 0 H HIS A 617 -2.673 1.223 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.043 3.156 -6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.303 2.812 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.350 4.358 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.940 4.396 -6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.807 0.665 -5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.866 2.768 -7.342 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.318 4.729 -5.423 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.256 5.640 -5.011 1.00 0.00 C ATOM 1344 C VAL A 618 -0.832 6.914 -4.401 1.00 0.00 C ATOM 1345 O VAL A 618 -1.455 7.719 -5.093 1.00 0.00 O ATOM 1346 CB VAL A 618 0.653 6.016 -6.196 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.646 7.093 -5.786 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.376 4.786 -6.724 1.00 0.00 C ATOM 0 H VAL A 618 -1.604 4.829 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 618 0.337 5.117 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 618 0.030 6.415 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.280 7.346 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.105 7.981 -5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.265 6.724 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.014 5.070 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.988 4.355 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.645 4.050 -7.058 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.617 7.090 -3.101 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.113 8.268 -2.398 1.00 0.00 C ATOM 1360 C VAL A 619 0.007 8.961 -1.631 1.00 0.00 C ATOM 1361 O VAL A 619 1.125 8.453 -1.548 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.242 7.900 -1.416 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.401 7.248 -2.153 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.716 6.986 -0.319 1.00 0.00 C ATOM 0 H VAL A 619 -0.103 6.433 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.506 8.947 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.608 8.816 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.188 6.995 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.793 7.940 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.054 6.341 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.526 6.736 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.322 6.072 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.922 7.494 0.228 1.00 0.00 H new ATOM 1374 N THR A 620 -0.300 10.128 -1.072 1.00 0.00 N ATOM 1375 CA THR A 620 0.680 10.893 -0.313 1.00 0.00 C ATOM 1376 C THR A 620 0.904 10.284 1.067 1.00 0.00 C ATOM 1377 O THR A 620 0.319 9.254 1.404 1.00 0.00 O ATOM 1378 CB THR A 620 0.242 12.361 -0.149 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.017 12.424 0.529 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.130 13.046 -1.502 1.00 0.00 C ATOM 0 H THR A 620 -1.221 10.563 -1.131 1.00 0.00 H new ATOM 0 HA THR A 620 1.612 10.860 -0.877 1.00 0.00 H new ATOM 0 HB THR A 620 0.998 12.879 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.743 12.294 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.181 14.081 -1.361 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.098 13.022 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.608 12.526 -2.113 1.00 0.00 H new ATOM 1388 N LEU A 621 1.754 10.926 1.861 1.00 0.00 N ATOM 1389 CA LEU A 621 2.055 10.449 3.205 1.00 0.00 C ATOM 1390 C LEU A 621 0.832 10.564 4.111 1.00 0.00 C ATOM 1391 O LEU A 621 0.337 9.563 4.628 1.00 0.00 O ATOM 1392 CB LEU A 621 3.220 11.241 3.801 1.00 0.00 C ATOM 1393 CG LEU A 621 3.862 10.649 5.056 1.00 0.00 C ATOM 1394 CD1 LEU A 621 5.309 11.101 5.180 1.00 0.00 C ATOM 1395 CD2 LEU A 621 3.071 11.040 6.295 1.00 0.00 C ATOM 0 H LEU A 621 2.247 11.779 1.596 1.00 0.00 H new ATOM 0 HA LEU A 621 2.336 9.398 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.991 11.345 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.868 12.245 4.037 1.00 0.00 H new ATOM 0 HG LEU A 621 3.849 9.563 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 621 5.749 10.670 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 621 5.870 10.769 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 621 5.346 12.188 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 621 3.543 10.610 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.052 12.126 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 621 2.051 10.665 6.209 1.00 0.00 H new ATOM 1407 N GLU A 622 0.352 11.789 4.294 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.813 12.033 5.137 1.00 0.00 C ATOM 1409 C GLU A 622 -1.936 11.053 4.808 1.00 0.00 C ATOM 1410 O GLU A 622 -2.449 10.363 5.690 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.307 13.470 4.958 1.00 0.00 C ATOM 1412 CG GLU A 622 -0.545 14.484 5.794 1.00 0.00 C ATOM 1413 CD GLU A 622 -0.967 14.474 7.250 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.412 13.409 7.730 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -0.852 15.527 7.910 1.00 0.00 O ATOM 0 H GLU A 622 0.751 12.627 3.871 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.517 11.885 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -1.226 13.745 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -2.364 13.517 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 622 0.523 14.275 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.701 15.481 5.381 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.313 10.999 3.536 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.374 10.104 3.090 1.00 0.00 C ATOM 1424 C ASP A 623 -3.220 8.721 3.718 1.00 0.00 C ATOM 1425 O ASP A 623 -4.192 7.982 3.861 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.367 9.989 1.565 1.00 0.00 C ATOM 1427 CG ASP A 623 -3.816 11.268 0.886 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.687 11.964 1.448 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.296 11.573 -0.207 1.00 0.00 O ATOM 0 H ASP A 623 -1.899 11.565 2.795 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.327 10.524 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.362 9.735 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.021 9.171 1.262 1.00 0.00 H new ATOM 1434 N MET A 624 -1.989 8.380 4.087 1.00 0.00 N ATOM 1435 CA MET A 624 -1.707 7.087 4.699 1.00 0.00 C ATOM 1436 C MET A 624 -2.084 7.091 6.177 1.00 0.00 C ATOM 1437 O MET A 624 -2.647 6.122 6.686 1.00 0.00 O ATOM 1438 CB MET A 624 -0.227 6.735 4.539 1.00 0.00 C ATOM 1439 CG MET A 624 0.065 5.251 4.690 1.00 0.00 C ATOM 1440 SD MET A 624 0.255 4.753 6.413 1.00 0.00 S ATOM 1441 CE MET A 624 1.964 5.199 6.708 1.00 0.00 C ATOM 0 H MET A 624 -1.172 8.980 3.973 1.00 0.00 H new ATOM 0 HA MET A 624 -2.309 6.334 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 624 0.112 7.066 3.557 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.351 7.288 5.279 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.744 4.677 4.237 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.975 5.006 4.142 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.560 4.295 6.831 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.342 5.770 5.860 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.031 5.804 7.612 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.769 8.187 6.861 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.073 8.315 8.281 1.00 0.00 C ATOM 1453 C ARG A 625 -3.581 8.323 8.515 1.00 0.00 C ATOM 1454 O ARG A 625 -4.089 7.594 9.366 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.453 9.596 8.843 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.123 9.513 10.324 1.00 0.00 C ATOM 1457 CD ARG A 625 -2.309 9.921 11.183 1.00 0.00 C ATOM 1458 NE ARG A 625 -2.504 11.368 11.195 1.00 0.00 N ATOM 1459 CZ ARG A 625 -1.771 12.203 11.924 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -0.800 11.736 12.696 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -2.008 13.508 11.881 1.00 0.00 N ATOM 0 H ARG A 625 -1.304 8.998 6.454 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.646 7.455 8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.542 9.823 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.141 10.425 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.824 8.495 10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.273 10.159 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -3.211 9.437 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.157 9.567 12.203 1.00 0.00 H new ATOM 0 HE ARG A 625 -3.244 11.759 10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -0.614 10.734 12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -0.239 12.379 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -2.754 13.872 11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -1.444 14.147 12.441 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.289 9.151 7.754 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.738 9.254 7.880 1.00 0.00 C ATOM 1477 C GLU A 626 -6.393 7.879 7.770 1.00 0.00 C ATOM 1478 O GLU A 626 -7.295 7.547 8.538 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.302 10.186 6.806 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.553 9.500 5.474 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.020 10.462 4.401 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -6.340 11.488 4.186 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -8.065 10.190 3.774 1.00 0.00 O ATOM 0 H GLU A 626 -3.883 9.760 7.044 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.962 9.667 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -7.237 10.616 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.608 11.013 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.637 9.010 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -7.302 8.719 5.607 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.931 7.086 6.809 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.470 5.748 6.598 1.00 0.00 C ATOM 1492 C ILE A 627 -6.092 4.816 7.745 1.00 0.00 C ATOM 1493 O ILE A 627 -6.961 4.279 8.431 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.971 5.142 5.273 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.601 5.871 4.085 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.287 3.655 5.218 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.881 5.628 2.776 1.00 0.00 C ATOM 0 H ILE A 627 -5.185 7.347 6.164 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.555 5.848 6.556 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.889 5.265 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.639 5.554 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.613 6.941 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.928 3.241 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.795 3.148 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.365 3.509 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.382 6.176 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.850 5.971 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.892 4.562 2.547 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.791 4.632 7.946 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.299 3.766 9.010 1.00 0.00 C ATOM 1511 C GLU A 628 -5.195 3.855 10.243 1.00 0.00 C ATOM 1512 O GLU A 628 -5.559 2.840 10.836 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.863 4.142 9.383 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.206 3.162 10.340 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.041 3.775 11.092 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -1.277 4.685 11.913 1.00 0.00 O ATOM 1517 OE2 GLU A 628 0.108 3.343 10.858 1.00 0.00 O ATOM 0 H GLU A 628 -4.060 5.071 7.386 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.315 2.740 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.265 4.205 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.862 5.134 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.948 2.805 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.857 2.293 9.782 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.546 5.079 10.624 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.399 5.304 11.784 1.00 0.00 C ATOM 1526 C LYS A 629 -7.802 4.755 11.544 1.00 0.00 C ATOM 1527 O LYS A 629 -8.315 3.968 12.339 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.474 6.799 12.106 1.00 0.00 C ATOM 1529 CG LYS A 629 -5.267 7.318 12.868 1.00 0.00 C ATOM 1530 CD LYS A 629 -5.610 8.556 13.679 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.364 9.202 14.264 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.701 10.252 15.265 1.00 0.00 N ATOM 0 H LYS A 629 -5.252 5.931 10.145 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.962 4.777 12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.574 7.358 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -7.373 6.991 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.892 6.539 13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.466 7.552 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.130 9.274 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -6.294 8.287 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -3.745 8.438 14.734 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -3.772 9.642 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.825 10.668 15.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.270 10.995 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.244 9.828 16.044 1.00 0.00 H new