USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 547 HIS : no HE2:sc= -7.22! C(o=-7.6!,f=-4!) USER MOD Set 1.2: A 587 GLN : amide:sc= -0.408 X(o=-7.6,f=-7.9!) USER MOD Single : A 543 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0442) USER MOD Single : A 545 CYS SG : rot -123:sc= -0.155 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.892 K(o=-0.89,f=-2.9!) 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+ 157:sc= 0 (180deg=-0.606) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.8!) USER MOD Single : A 572 ASN : amide:sc=-0.00157 K(o=-0.0016,f=-0.75) USER MOD Single : A 575 HIS : no HD1:sc= -3.34! K(o=-3.3!,f=-1.5) USER MOD Single : A 591 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.0038) USER MOD Single : A 593 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0435) USER MOD Single : A 594 ASN : amide:sc= -0.707 K(o=-0.71,f=-3.4!) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -48:sc= 0.301 USER MOD Single : A 605 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-5.1!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.545 K(o=-0.55,f=-1.2!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc=-0.00822 USER MOD Single : A 624 MET CE :methyl -174:sc= 0 (180deg=-0.0313) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.540 15.005 -2.127 1.00 0.00 N ATOM 142 CA ALA A 542 5.045 13.961 -3.008 1.00 0.00 C ATOM 143 C ALA A 542 4.432 12.608 -2.665 1.00 0.00 C ATOM 144 O ALA A 542 4.103 12.339 -1.509 1.00 0.00 O ATOM 145 CB ALA A 542 6.563 13.889 -2.926 1.00 0.00 C ATOM 0 HA ALA A 542 4.758 14.213 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.926 13.104 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.989 14.846 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.862 13.665 -1.902 1.00 0.00 H new ATOM 151 N LYS A 543 4.278 11.759 -3.676 1.00 0.00 N ATOM 152 CA LYS A 543 3.704 10.433 -3.482 1.00 0.00 C ATOM 153 C LYS A 543 4.774 9.433 -3.056 1.00 0.00 C ATOM 154 O LYS A 543 5.528 8.925 -3.886 1.00 0.00 O ATOM 155 CB LYS A 543 3.027 9.955 -4.768 1.00 0.00 C ATOM 156 CG LYS A 543 1.647 10.552 -4.988 1.00 0.00 C ATOM 157 CD LYS A 543 1.250 10.512 -6.454 1.00 0.00 C ATOM 158 CE LYS A 543 0.017 11.362 -6.721 1.00 0.00 C ATOM 159 NZ LYS A 543 0.333 12.817 -6.710 1.00 0.00 N ATOM 0 H LYS A 543 4.543 11.966 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 543 2.959 10.500 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.662 10.206 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.944 8.868 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.914 10.004 -4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.635 11.583 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 543 2.078 10.868 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.054 9.482 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.409 11.090 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.741 11.149 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -0.493 13.354 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.570 13.113 -5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 1.142 13.001 -7.337 1.00 0.00 H new ATOM 173 N VAL A 544 4.836 9.155 -1.758 1.00 0.00 N ATOM 174 CA VAL A 544 5.812 8.214 -1.222 1.00 0.00 C ATOM 175 C VAL A 544 5.133 7.131 -0.391 1.00 0.00 C ATOM 176 O VAL A 544 5.645 6.724 0.653 1.00 0.00 O ATOM 177 CB VAL A 544 6.864 8.930 -0.354 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.630 9.952 -1.178 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.202 9.587 0.847 1.00 0.00 C ATOM 0 H VAL A 544 4.221 9.569 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 544 6.309 7.753 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 544 7.575 8.189 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.369 10.448 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.135 9.449 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.936 10.693 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.959 10.089 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.469 10.317 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.703 8.827 1.449 1.00 0.00 H new ATOM 189 N CYS A 545 3.981 6.667 -0.862 1.00 0.00 N ATOM 190 CA CYS A 545 3.231 5.630 -0.161 1.00 0.00 C ATOM 191 C CYS A 545 2.380 4.823 -1.136 1.00 0.00 C ATOM 192 O CYS A 545 2.010 5.311 -2.204 1.00 0.00 O ATOM 193 CB CYS A 545 2.342 6.254 0.916 1.00 0.00 C ATOM 194 SG CYS A 545 3.238 6.792 2.391 1.00 0.00 S ATOM 0 H CYS A 545 3.546 6.992 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 545 3.945 4.957 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.819 7.110 0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.582 5.530 1.209 1.00 0.00 H new ATOM 0 HG CYS A 545 2.734 6.213 3.440 1.00 0.00 H new ATOM 200 N ALA A 546 2.073 3.586 -0.761 1.00 0.00 N ATOM 201 CA ALA A 546 1.265 2.711 -1.601 1.00 0.00 C ATOM 202 C ALA A 546 0.352 1.827 -0.757 1.00 0.00 C ATOM 203 O ALA A 546 0.817 1.088 0.111 1.00 0.00 O ATOM 204 CB ALA A 546 2.159 1.855 -2.486 1.00 0.00 C ATOM 0 H ALA A 546 2.372 3.167 0.120 1.00 0.00 H new ATOM 0 HA ALA A 546 0.637 3.337 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.542 1.207 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.765 2.499 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.812 1.245 -1.862 1.00 0.00 H new ATOM 210 N HIS A 547 -0.949 1.912 -1.016 1.00 0.00 N ATOM 211 CA HIS A 547 -1.928 1.119 -0.278 1.00 0.00 C ATOM 212 C HIS A 547 -2.296 -0.144 -1.050 1.00 0.00 C ATOM 213 O HIS A 547 -2.772 -0.073 -2.183 1.00 0.00 O ATOM 214 CB HIS A 547 -3.183 1.948 -0.004 1.00 0.00 C ATOM 215 CG HIS A 547 -4.230 1.210 0.774 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.578 1.311 0.504 1.00 0.00 N ATOM 217 CD2 HIS A 547 -4.118 0.355 1.817 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.252 0.551 1.349 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.389 -0.041 2.156 1.00 0.00 N ATOM 0 H HIS A 547 -1.350 2.520 -1.730 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.481 0.825 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.902 2.848 0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.609 2.272 -0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.991 1.883 -0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -3.201 0.042 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.325 0.434 1.376 1.00 0.00 H new ATOM 227 N ILE A 548 -2.072 -1.297 -0.429 1.00 0.00 N ATOM 228 CA ILE A 548 -2.381 -2.575 -1.058 1.00 0.00 C ATOM 229 C ILE A 548 -3.744 -3.093 -0.611 1.00 0.00 C ATOM 230 O ILE A 548 -3.963 -3.360 0.572 1.00 0.00 O ATOM 231 CB ILE A 548 -1.312 -3.635 -0.735 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.061 -3.171 -1.227 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.682 -4.970 -1.362 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.214 -3.923 -0.598 1.00 0.00 C ATOM 0 H ILE A 548 -1.678 -1.372 0.509 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.395 -2.401 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.266 -3.765 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.109 -3.288 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.173 -2.107 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.916 -5.708 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.642 -5.303 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.753 -4.857 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.156 -3.542 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.192 -3.785 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.126 -4.984 -0.830 1.00 0.00 H new ATOM 246 N THR A 549 -4.660 -3.234 -1.564 1.00 0.00 N ATOM 247 CA THR A 549 -6.002 -3.720 -1.270 1.00 0.00 C ATOM 248 C THR A 549 -6.355 -4.920 -2.141 1.00 0.00 C ATOM 249 O THR A 549 -5.692 -5.190 -3.140 1.00 0.00 O ATOM 250 CB THR A 549 -7.058 -2.618 -1.480 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.012 -2.148 -2.832 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.825 -1.457 -0.526 1.00 0.00 C ATOM 0 H THR A 549 -4.496 -3.018 -2.547 1.00 0.00 H new ATOM 0 HA THR A 549 -6.006 -4.021 -0.222 1.00 0.00 H new ATOM 0 HB THR A 549 -8.041 -3.043 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.687 -1.449 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.583 -0.691 -0.693 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.889 -1.813 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.836 -1.034 -0.703 1.00 0.00 H new ATOM 260 N ASN A 550 -7.406 -5.637 -1.754 1.00 0.00 N ATOM 261 CA ASN A 550 -7.848 -6.809 -2.501 1.00 0.00 C ATOM 262 C ASN A 550 -6.816 -7.929 -2.416 1.00 0.00 C ATOM 263 O ASN A 550 -6.489 -8.562 -3.420 1.00 0.00 O ATOM 264 CB ASN A 550 -8.100 -6.441 -3.965 1.00 0.00 C ATOM 265 CG ASN A 550 -8.889 -7.507 -4.701 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.897 -8.673 -4.306 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.557 -7.110 -5.778 1.00 0.00 N ATOM 0 H ASN A 550 -7.967 -5.427 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.779 -7.163 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.641 -5.496 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.145 -6.287 -4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.105 -7.782 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.522 -6.133 -6.069 1.00 0.00 H new ATOM 274 N ILE A 551 -6.307 -8.168 -1.212 1.00 0.00 N ATOM 275 CA ILE A 551 -5.314 -9.212 -0.995 1.00 0.00 C ATOM 276 C ILE A 551 -5.811 -10.242 0.012 1.00 0.00 C ATOM 277 O ILE A 551 -6.496 -9.919 0.983 1.00 0.00 O ATOM 278 CB ILE A 551 -3.980 -8.626 -0.498 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.225 -7.649 0.654 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.247 -7.935 -1.639 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.980 -7.335 1.455 1.00 0.00 C ATOM 0 H ILE A 551 -6.567 -7.652 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.151 -9.698 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.356 -9.441 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.633 -6.721 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.980 -8.067 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.306 -7.526 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.045 -8.656 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.865 -7.128 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.228 -6.637 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.583 -8.254 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.231 -6.888 0.802 1.00 0.00 H new ATOM 293 N PRO A 552 -5.457 -11.515 -0.219 1.00 0.00 N ATOM 294 CA PRO A 552 -5.853 -12.620 0.659 1.00 0.00 C ATOM 295 C PRO A 552 -5.658 -12.286 2.134 1.00 0.00 C ATOM 296 O PRO A 552 -4.603 -11.795 2.536 1.00 0.00 O ATOM 297 CB PRO A 552 -4.919 -13.759 0.240 1.00 0.00 C ATOM 298 CG PRO A 552 -4.593 -13.476 -1.185 1.00 0.00 C ATOM 299 CD PRO A 552 -4.640 -11.974 -1.356 1.00 0.00 C ATOM 0 HA PRO A 552 -6.911 -12.861 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.020 -13.780 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.403 -14.729 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.606 -13.863 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.308 -13.963 -1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.641 -11.538 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.088 -11.694 -2.309 1.00 0.00 H new ATOM 307 N PHE A 553 -6.682 -12.557 2.938 1.00 0.00 N ATOM 308 CA PHE A 553 -6.622 -12.285 4.369 1.00 0.00 C ATOM 309 C PHE A 553 -6.042 -13.476 5.125 1.00 0.00 C ATOM 310 O PHE A 553 -6.398 -13.727 6.277 1.00 0.00 O ATOM 311 CB PHE A 553 -8.017 -11.957 4.905 1.00 0.00 C ATOM 312 CG PHE A 553 -9.101 -12.818 4.324 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.444 -14.020 4.921 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.777 -12.428 3.179 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.441 -14.816 4.389 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.775 -13.218 2.644 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.107 -14.415 3.248 1.00 0.00 C ATOM 0 H PHE A 553 -7.562 -12.964 2.622 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.969 -11.426 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -8.017 -12.070 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.242 -10.912 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.926 -14.339 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.520 -11.495 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.699 -15.750 4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.296 -12.900 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.885 -15.035 2.829 1.00 0.00 H new ATOM 327 N SER A 554 -5.147 -14.207 4.469 1.00 0.00 N ATOM 328 CA SER A 554 -4.519 -15.374 5.077 1.00 0.00 C ATOM 329 C SER A 554 -3.009 -15.186 5.183 1.00 0.00 C ATOM 330 O SER A 554 -2.362 -15.754 6.063 1.00 0.00 O ATOM 331 CB SER A 554 -4.831 -16.630 4.261 1.00 0.00 C ATOM 332 OG SER A 554 -6.178 -17.034 4.443 1.00 0.00 O ATOM 0 H SER A 554 -4.840 -14.012 3.516 1.00 0.00 H new ATOM 0 HA SER A 554 -4.924 -15.491 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.645 -16.437 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.162 -17.437 4.560 1.00 0.00 H new ATOM 0 HG SER A 554 -6.353 -17.838 3.910 1.00 0.00 H new ATOM 338 N ILE A 555 -2.454 -14.385 4.280 1.00 0.00 N ATOM 339 CA ILE A 555 -1.021 -14.120 4.272 1.00 0.00 C ATOM 340 C ILE A 555 -0.633 -13.157 5.389 1.00 0.00 C ATOM 341 O ILE A 555 -1.492 -12.528 6.009 1.00 0.00 O ATOM 342 CB ILE A 555 -0.563 -13.535 2.923 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.107 -12.115 2.748 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.017 -14.426 1.778 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.422 -11.336 1.647 1.00 0.00 C ATOM 0 H ILE A 555 -2.975 -13.908 3.544 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.523 -15.077 4.431 1.00 0.00 H new ATOM 0 HB ILE A 555 0.526 -13.491 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.175 -12.168 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.996 -11.574 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.686 -13.999 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.587 -15.420 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.105 -14.498 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.859 -10.340 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.642 -11.252 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.555 -11.855 0.698 1.00 0.00 H new ATOM 357 N THR A 556 0.668 -13.045 5.642 1.00 0.00 N ATOM 358 CA THR A 556 1.170 -12.158 6.684 1.00 0.00 C ATOM 359 C THR A 556 2.106 -11.103 6.104 1.00 0.00 C ATOM 360 O THR A 556 2.603 -11.246 4.988 1.00 0.00 O ATOM 361 CB THR A 556 1.915 -12.944 7.779 1.00 0.00 C ATOM 362 OG1 THR A 556 3.039 -13.627 7.212 1.00 0.00 O ATOM 363 CG2 THR A 556 0.991 -13.948 8.449 1.00 0.00 C ATOM 0 H THR A 556 1.393 -13.558 5.139 1.00 0.00 H new ATOM 0 HA THR A 556 0.303 -11.667 7.126 1.00 0.00 H new ATOM 0 HB THR A 556 2.262 -12.236 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.509 -14.123 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.540 -14.491 9.218 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.152 -13.422 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.618 -14.652 7.705 1.00 0.00 H new ATOM 371 N LYS A 557 2.343 -10.044 6.870 1.00 0.00 N ATOM 372 CA LYS A 557 3.221 -8.965 6.434 1.00 0.00 C ATOM 373 C LYS A 557 4.430 -9.516 5.687 1.00 0.00 C ATOM 374 O LYS A 557 4.760 -9.054 4.595 1.00 0.00 O ATOM 375 CB LYS A 557 3.684 -8.139 7.637 1.00 0.00 C ATOM 376 CG LYS A 557 4.715 -7.082 7.287 1.00 0.00 C ATOM 377 CD LYS A 557 6.130 -7.631 7.376 1.00 0.00 C ATOM 378 CE LYS A 557 6.682 -7.524 8.789 1.00 0.00 C ATOM 379 NZ LYS A 557 7.870 -8.399 8.987 1.00 0.00 N ATOM 0 H LYS A 557 1.939 -9.910 7.797 1.00 0.00 H new ATOM 0 HA LYS A 557 2.658 -8.324 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.819 -7.655 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.103 -8.809 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 557 4.530 -6.712 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.610 -6.233 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 557 6.137 -8.674 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.777 -7.085 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.955 -6.489 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.906 -7.798 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 8.441 -8.036 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 7.556 -9.367 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 8.444 -8.406 8.120 1.00 0.00 H new ATOM 393 N MET A 558 5.086 -10.507 6.281 1.00 0.00 N ATOM 394 CA MET A 558 6.258 -11.123 5.669 1.00 0.00 C ATOM 395 C MET A 558 5.992 -11.463 4.206 1.00 0.00 C ATOM 396 O MET A 558 6.779 -11.117 3.325 1.00 0.00 O ATOM 397 CB MET A 558 6.655 -12.387 6.434 1.00 0.00 C ATOM 398 CG MET A 558 7.829 -13.127 5.816 1.00 0.00 C ATOM 399 SD MET A 558 9.348 -12.156 5.828 1.00 0.00 S ATOM 400 CE MET A 558 10.086 -12.702 7.366 1.00 0.00 C ATOM 0 H MET A 558 4.826 -10.901 7.185 1.00 0.00 H new ATOM 0 HA MET A 558 7.079 -10.407 5.714 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.905 -12.117 7.460 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.797 -13.058 6.481 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.993 -14.058 6.359 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.583 -13.397 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 558 11.036 -12.189 7.516 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.415 -12.472 8.193 1.00 0.00 H new ATOM 0 HE3 MET A 558 10.257 -13.778 7.326 1.00 0.00 H new ATOM 410 N ASP A 559 4.877 -12.142 3.955 1.00 0.00 N ATOM 411 CA ASP A 559 4.507 -12.528 2.599 1.00 0.00 C ATOM 412 C ASP A 559 4.496 -11.316 1.672 1.00 0.00 C ATOM 413 O ASP A 559 5.038 -11.360 0.567 1.00 0.00 O ATOM 414 CB ASP A 559 3.134 -13.202 2.594 1.00 0.00 C ATOM 415 CG ASP A 559 3.179 -14.613 3.146 1.00 0.00 C ATOM 416 OD1 ASP A 559 4.090 -15.373 2.756 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.304 -14.958 3.967 1.00 0.00 O ATOM 0 H ASP A 559 4.215 -12.436 4.673 1.00 0.00 H new ATOM 0 HA ASP A 559 5.252 -13.235 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.438 -12.606 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.748 -13.226 1.575 1.00 0.00 H new ATOM 422 N VAL A 560 3.874 -10.233 2.130 1.00 0.00 N ATOM 423 CA VAL A 560 3.793 -9.009 1.343 1.00 0.00 C ATOM 424 C VAL A 560 5.178 -8.529 0.928 1.00 0.00 C ATOM 425 O VAL A 560 5.409 -8.192 -0.235 1.00 0.00 O ATOM 426 CB VAL A 560 3.085 -7.887 2.124 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.164 -6.573 1.361 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.637 -8.263 2.403 1.00 0.00 C ATOM 0 H VAL A 560 3.419 -10.179 3.042 1.00 0.00 H new ATOM 0 HA VAL A 560 3.212 -9.244 0.451 1.00 0.00 H new ATOM 0 HB VAL A 560 3.594 -7.757 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.658 -5.792 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.209 -6.298 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.682 -6.686 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.152 -7.458 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.114 -8.422 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.606 -9.179 2.993 1.00 0.00 H new ATOM 438 N LEU A 561 6.100 -8.500 1.884 1.00 0.00 N ATOM 439 CA LEU A 561 7.465 -8.061 1.619 1.00 0.00 C ATOM 440 C LEU A 561 8.051 -8.798 0.417 1.00 0.00 C ATOM 441 O LEU A 561 8.851 -8.242 -0.334 1.00 0.00 O ATOM 442 CB LEU A 561 8.344 -8.290 2.849 1.00 0.00 C ATOM 443 CG LEU A 561 7.949 -7.520 4.110 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.841 -7.911 5.277 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.018 -6.020 3.862 1.00 0.00 C ATOM 0 H LEU A 561 5.927 -8.776 2.851 1.00 0.00 H new ATOM 0 HA LEU A 561 7.439 -6.995 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.339 -9.355 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.370 -8.025 2.592 1.00 0.00 H new ATOM 0 HG LEU A 561 6.921 -7.780 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.544 -7.353 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.741 -8.979 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.879 -7.682 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.734 -5.488 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.035 -5.744 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.335 -5.753 3.056 1.00 0.00 H new ATOM 457 N GLN A 562 7.644 -10.051 0.243 1.00 0.00 N ATOM 458 CA GLN A 562 8.127 -10.863 -0.867 1.00 0.00 C ATOM 459 C GLN A 562 7.456 -10.452 -2.174 1.00 0.00 C ATOM 460 O GLN A 562 8.103 -10.373 -3.218 1.00 0.00 O ATOM 461 CB GLN A 562 7.870 -12.346 -0.592 1.00 0.00 C ATOM 462 CG GLN A 562 8.338 -13.262 -1.712 1.00 0.00 C ATOM 463 CD GLN A 562 9.772 -13.717 -1.533 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.281 -13.780 -0.413 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.434 -14.037 -2.638 1.00 0.00 N ATOM 0 H GLN A 562 6.981 -10.526 0.856 1.00 0.00 H new ATOM 0 HA GLN A 562 9.200 -10.700 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.374 -12.628 0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.803 -12.498 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.687 -14.135 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.242 -12.742 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.974 -13.970 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.403 -14.350 -2.579 1.00 0.00 H new ATOM 474 N PHE A 563 6.154 -10.193 -2.108 1.00 0.00 N ATOM 475 CA PHE A 563 5.395 -9.791 -3.287 1.00 0.00 C ATOM 476 C PHE A 563 6.001 -8.546 -3.927 1.00 0.00 C ATOM 477 O PHE A 563 5.909 -8.349 -5.140 1.00 0.00 O ATOM 478 CB PHE A 563 3.935 -9.526 -2.913 1.00 0.00 C ATOM 479 CG PHE A 563 3.203 -8.683 -3.917 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.970 -9.153 -5.199 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.748 -7.418 -3.579 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.297 -8.380 -6.125 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.073 -6.640 -4.501 1.00 0.00 C ATOM 484 CZ PHE A 563 1.848 -7.120 -5.777 1.00 0.00 C ATOM 0 H PHE A 563 5.603 -10.254 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 563 5.437 -10.606 -4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.417 -10.479 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.901 -9.032 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.319 -10.136 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.923 -7.036 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.122 -8.760 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.722 -5.657 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.323 -6.513 -6.500 1.00 0.00 H new ATOM 494 N LEU A 564 6.622 -7.708 -3.104 1.00 0.00 N ATOM 495 CA LEU A 564 7.243 -6.481 -3.588 1.00 0.00 C ATOM 496 C LEU A 564 8.721 -6.703 -3.892 1.00 0.00 C ATOM 497 O LEU A 564 9.520 -5.766 -3.857 1.00 0.00 O ATOM 498 CB LEU A 564 7.087 -5.363 -2.556 1.00 0.00 C ATOM 499 CG LEU A 564 5.667 -4.831 -2.353 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.566 -4.060 -1.047 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.255 -3.953 -3.526 1.00 0.00 C ATOM 0 H LEU A 564 6.709 -7.856 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 564 6.740 -6.189 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.458 -5.726 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.727 -4.531 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 564 4.985 -5.680 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.549 -3.690 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.818 -4.718 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.258 -3.218 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.242 -3.583 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.941 -3.110 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.286 -4.537 -4.446 1.00 0.00 H new ATOM 513 N GLU A 565 9.078 -7.948 -4.192 1.00 0.00 N ATOM 514 CA GLU A 565 10.461 -8.291 -4.503 1.00 0.00 C ATOM 515 C GLU A 565 11.089 -7.246 -5.420 1.00 0.00 C ATOM 516 O GLU A 565 10.569 -6.958 -6.498 1.00 0.00 O ATOM 517 CB GLU A 565 10.531 -9.671 -5.161 1.00 0.00 C ATOM 518 CG GLU A 565 11.949 -10.150 -5.423 1.00 0.00 C ATOM 519 CD GLU A 565 12.481 -9.693 -6.767 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.685 -9.621 -7.727 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.693 -9.405 -6.858 1.00 0.00 O ATOM 0 H GLU A 565 8.430 -8.735 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 565 11.022 -8.312 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.024 -10.395 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.986 -9.642 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.604 -9.782 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 565 11.975 -11.239 -5.378 1.00 0.00 H new ATOM 528 N GLY A 566 12.209 -6.680 -4.983 1.00 0.00 N ATOM 529 CA GLY A 566 12.890 -5.672 -5.776 1.00 0.00 C ATOM 530 C GLY A 566 12.943 -4.326 -5.081 1.00 0.00 C ATOM 531 O GLY A 566 13.945 -3.616 -5.166 1.00 0.00 O ATOM 0 H GLY A 566 12.658 -6.901 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.905 -6.007 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.382 -5.563 -6.734 1.00 0.00 H new ATOM 535 N ILE A 567 11.863 -3.975 -4.392 1.00 0.00 N ATOM 536 CA ILE A 567 11.791 -2.706 -3.680 1.00 0.00 C ATOM 537 C ILE A 567 12.358 -2.834 -2.270 1.00 0.00 C ATOM 538 O ILE A 567 11.792 -3.503 -1.405 1.00 0.00 O ATOM 539 CB ILE A 567 10.343 -2.189 -3.594 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.754 -2.023 -4.996 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.294 -0.871 -2.834 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.249 -1.871 -5.005 1.00 0.00 C ATOM 0 H ILE A 567 11.026 -4.552 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 567 12.389 -1.992 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 567 9.744 -2.921 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.202 -1.149 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.027 -2.888 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.264 -0.519 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.678 -1.018 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.905 -0.130 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.901 -1.758 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.791 -2.756 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.969 -0.990 -4.428 1.00 0.00 H new ATOM 554 N PRO A 568 13.502 -2.175 -2.030 1.00 0.00 N ATOM 555 CA PRO A 568 14.169 -2.197 -0.724 1.00 0.00 C ATOM 556 C PRO A 568 13.445 -1.346 0.312 1.00 0.00 C ATOM 557 O PRO A 568 13.743 -0.163 0.477 1.00 0.00 O ATOM 558 CB PRO A 568 15.552 -1.614 -1.023 1.00 0.00 C ATOM 559 CG PRO A 568 15.344 -0.730 -2.204 1.00 0.00 C ATOM 560 CD PRO A 568 14.231 -1.358 -3.013 1.00 0.00 C ATOM 0 HA PRO A 568 14.197 -3.200 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.937 -1.053 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.275 -2.401 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.076 0.279 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.256 -0.649 -2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.587 -0.602 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.623 -1.967 -3.828 1.00 0.00 H new ATOM 568 N VAL A 569 12.490 -1.954 1.009 1.00 0.00 N ATOM 569 CA VAL A 569 11.723 -1.252 2.031 1.00 0.00 C ATOM 570 C VAL A 569 11.798 -1.976 3.370 1.00 0.00 C ATOM 571 O VAL A 569 11.720 -3.204 3.427 1.00 0.00 O ATOM 572 CB VAL A 569 10.246 -1.103 1.622 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.570 -2.464 1.559 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.517 -0.179 2.585 1.00 0.00 C ATOM 0 H VAL A 569 12.229 -2.932 0.884 1.00 0.00 H new ATOM 0 HA VAL A 569 12.165 -0.261 2.132 1.00 0.00 H new ATOM 0 HB VAL A 569 10.205 -0.658 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.527 -2.339 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.079 -3.089 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.619 -2.940 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.475 -0.085 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.565 -0.592 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 569 9.988 0.804 2.573 1.00 0.00 H new ATOM 584 N ASP A 570 11.949 -1.210 4.444 1.00 0.00 N ATOM 585 CA ASP A 570 12.032 -1.779 5.783 1.00 0.00 C ATOM 586 C ASP A 570 10.719 -2.451 6.172 1.00 0.00 C ATOM 587 O ASP A 570 9.708 -2.300 5.487 1.00 0.00 O ATOM 588 CB ASP A 570 12.384 -0.693 6.802 1.00 0.00 C ATOM 589 CG ASP A 570 13.030 -1.258 8.052 1.00 0.00 C ATOM 590 OD1 ASP A 570 13.593 -2.370 7.977 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.974 -0.587 9.103 1.00 0.00 O ATOM 0 H ASP A 570 12.016 -0.193 4.413 1.00 0.00 H new ATOM 0 HA ASP A 570 12.819 -2.534 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.060 0.028 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.479 -0.151 7.078 1.00 0.00 H new ATOM 596 N GLU A 571 10.742 -3.192 7.274 1.00 0.00 N ATOM 597 CA GLU A 571 9.553 -3.889 7.751 1.00 0.00 C ATOM 598 C GLU A 571 8.504 -2.898 8.248 1.00 0.00 C ATOM 599 O GLU A 571 7.371 -2.883 7.768 1.00 0.00 O ATOM 600 CB GLU A 571 9.920 -4.863 8.873 1.00 0.00 C ATOM 601 CG GLU A 571 10.418 -6.209 8.372 1.00 0.00 C ATOM 602 CD GLU A 571 11.721 -6.099 7.604 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.494 -5.157 7.877 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.968 -6.958 6.731 1.00 0.00 O ATOM 0 H GLU A 571 11.570 -3.326 7.854 1.00 0.00 H new ATOM 0 HA GLU A 571 9.133 -4.449 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.689 -4.410 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.047 -5.021 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.556 -6.880 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 571 9.659 -6.657 7.731 1.00 0.00 H new ATOM 611 N ASN A 572 8.892 -2.070 9.213 1.00 0.00 N ATOM 612 CA ASN A 572 7.985 -1.075 9.776 1.00 0.00 C ATOM 613 C ASN A 572 7.258 -0.315 8.671 1.00 0.00 C ATOM 614 O ASN A 572 6.047 -0.111 8.737 1.00 0.00 O ATOM 615 CB ASN A 572 8.756 -0.096 10.663 1.00 0.00 C ATOM 616 CG ASN A 572 8.944 -0.618 12.074 1.00 0.00 C ATOM 617 OD1 ASN A 572 8.851 -1.820 12.321 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.209 0.286 13.010 1.00 0.00 N ATOM 0 H ASN A 572 9.827 -2.068 9.621 1.00 0.00 H new ATOM 0 HA ASN A 572 7.244 -1.596 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.732 0.101 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.224 0.854 10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.344 -0.006 13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 572 9.277 1.273 12.761 1.00 0.00 H new ATOM 625 N ALA A 573 8.008 0.104 7.657 1.00 0.00 N ATOM 626 CA ALA A 573 7.436 0.840 6.537 1.00 0.00 C ATOM 627 C ALA A 573 6.098 0.243 6.114 1.00 0.00 C ATOM 628 O ALA A 573 5.212 0.953 5.636 1.00 0.00 O ATOM 629 CB ALA A 573 8.404 0.853 5.364 1.00 0.00 C ATOM 0 H ALA A 573 9.013 -0.054 7.588 1.00 0.00 H new ATOM 0 HA ALA A 573 7.261 1.866 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.963 1.406 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.335 1.332 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.608 -0.170 5.049 1.00 0.00 H new ATOM 635 N VAL A 574 5.956 -1.066 6.293 1.00 0.00 N ATOM 636 CA VAL A 574 4.725 -1.760 5.930 1.00 0.00 C ATOM 637 C VAL A 574 3.794 -1.890 7.130 1.00 0.00 C ATOM 638 O VAL A 574 4.122 -2.554 8.115 1.00 0.00 O ATOM 639 CB VAL A 574 5.016 -3.162 5.365 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.722 -3.931 5.149 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.808 -3.060 4.070 1.00 0.00 C ATOM 0 H VAL A 574 6.678 -1.668 6.688 1.00 0.00 H new ATOM 0 HA VAL A 574 4.239 -1.161 5.160 1.00 0.00 H new ATOM 0 HB VAL A 574 5.618 -3.709 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.949 -4.919 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.198 -4.035 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.091 -3.390 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 574 6.005 -4.060 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.234 -2.495 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.753 -2.552 4.261 1.00 0.00 H new ATOM 651 N HIS A 575 2.631 -1.253 7.042 1.00 0.00 N ATOM 652 CA HIS A 575 1.650 -1.299 8.121 1.00 0.00 C ATOM 653 C HIS A 575 0.433 -2.123 7.713 1.00 0.00 C ATOM 654 O HIS A 575 -0.405 -1.669 6.935 1.00 0.00 O ATOM 655 CB HIS A 575 1.217 0.116 8.505 1.00 0.00 C ATOM 656 CG HIS A 575 2.345 0.979 8.982 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.204 1.916 9.983 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.639 1.043 8.588 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.362 2.518 10.184 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.249 2.007 9.351 1.00 0.00 N ATOM 0 H HIS A 575 2.345 -0.699 6.235 1.00 0.00 H new ATOM 0 HA HIS A 575 2.116 -1.775 8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.747 0.590 7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.460 0.056 9.287 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.104 0.447 7.817 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.551 3.297 10.908 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.229 2.284 9.285 1.00 0.00 H new ATOM 668 N VAL A 576 0.342 -3.339 8.245 1.00 0.00 N ATOM 669 CA VAL A 576 -0.772 -4.227 7.938 1.00 0.00 C ATOM 670 C VAL A 576 -1.985 -3.905 8.802 1.00 0.00 C ATOM 671 O VAL A 576 -1.863 -3.692 10.010 1.00 0.00 O ATOM 672 CB VAL A 576 -0.387 -5.704 8.142 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.575 -6.611 7.861 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.796 -6.072 7.259 1.00 0.00 C ATOM 0 H VAL A 576 1.027 -3.731 8.891 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.024 -4.067 6.889 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.093 -5.844 9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.283 -7.650 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.391 -6.362 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.904 -6.471 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.055 -7.119 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.532 -5.916 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.650 -5.445 7.515 1.00 0.00 H new ATOM 684 N LEU A 577 -3.157 -3.872 8.179 1.00 0.00 N ATOM 685 CA LEU A 577 -4.396 -3.576 8.891 1.00 0.00 C ATOM 686 C LEU A 577 -4.865 -4.786 9.691 1.00 0.00 C ATOM 687 O LEU A 577 -4.754 -5.926 9.238 1.00 0.00 O ATOM 688 CB LEU A 577 -5.486 -3.149 7.906 1.00 0.00 C ATOM 689 CG LEU A 577 -5.399 -1.712 7.391 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.534 -1.423 6.421 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.422 -0.727 8.551 1.00 0.00 C ATOM 0 H LEU A 577 -3.276 -4.047 7.181 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.201 -2.757 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.458 -3.823 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.455 -3.284 8.387 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.455 -1.594 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.456 -0.396 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.472 -2.106 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.489 -1.560 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.359 0.291 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.349 -0.846 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.574 -0.919 9.208 1.00 0.00 H new ATOM 809 N GLY A 586 -7.793 -7.798 4.984 1.00 0.00 N ATOM 810 CA GLY A 586 -7.106 -8.036 3.728 1.00 0.00 C ATOM 811 C GLY A 586 -6.586 -6.757 3.102 1.00 0.00 C ATOM 812 O GLY A 586 -6.741 -6.540 1.901 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.274 -8.719 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.786 -8.527 3.032 1.00 0.00 H new ATOM 816 N GLN A 587 -5.969 -5.908 3.918 1.00 0.00 N ATOM 817 CA GLN A 587 -5.427 -4.643 3.437 1.00 0.00 C ATOM 818 C GLN A 587 -4.148 -4.280 4.181 1.00 0.00 C ATOM 819 O GLN A 587 -3.963 -4.658 5.338 1.00 0.00 O ATOM 820 CB GLN A 587 -6.460 -3.527 3.599 1.00 0.00 C ATOM 821 CG GLN A 587 -7.521 -3.515 2.509 1.00 0.00 C ATOM 822 CD GLN A 587 -8.556 -2.426 2.714 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.269 -1.241 2.544 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.769 -2.823 3.080 1.00 0.00 N ATOM 0 H GLN A 587 -5.832 -6.074 4.915 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.189 -4.758 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.948 -3.633 4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.946 -2.566 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.040 -3.376 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.019 -4.484 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.963 -3.816 3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.507 -2.135 3.232 1.00 0.00 H new ATOM 833 N ALA A 588 -3.267 -3.545 3.511 1.00 0.00 N ATOM 834 CA ALA A 588 -2.005 -3.130 4.111 1.00 0.00 C ATOM 835 C ALA A 588 -1.458 -1.881 3.428 1.00 0.00 C ATOM 836 O ALA A 588 -1.702 -1.650 2.244 1.00 0.00 O ATOM 837 CB ALA A 588 -0.989 -4.260 4.038 1.00 0.00 C ATOM 0 H ALA A 588 -3.404 -3.225 2.552 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.190 -2.890 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.051 -3.936 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.370 -5.128 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.816 -4.527 2.995 1.00 0.00 H new ATOM 843 N LEU A 589 -0.716 -1.077 4.183 1.00 0.00 N ATOM 844 CA LEU A 589 -0.134 0.151 3.651 1.00 0.00 C ATOM 845 C LEU A 589 1.383 0.034 3.550 1.00 0.00 C ATOM 846 O LEU A 589 2.003 -0.764 4.252 1.00 0.00 O ATOM 847 CB LEU A 589 -0.509 1.341 4.535 1.00 0.00 C ATOM 848 CG LEU A 589 -1.977 1.768 4.500 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.290 2.698 5.662 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.305 2.438 3.174 1.00 0.00 C ATOM 0 H LEU A 589 -0.503 -1.253 5.165 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.535 0.311 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.246 1.100 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.103 2.193 4.241 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.598 0.877 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.339 2.992 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.094 2.184 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.662 3.586 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.354 2.735 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.677 3.320 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.120 1.740 2.358 1.00 0.00 H new ATOM 862 N VAL A 590 1.977 0.840 2.675 1.00 0.00 N ATOM 863 CA VAL A 590 3.421 0.831 2.485 1.00 0.00 C ATOM 864 C VAL A 590 3.967 2.247 2.339 1.00 0.00 C ATOM 865 O VAL A 590 3.593 2.974 1.419 1.00 0.00 O ATOM 866 CB VAL A 590 3.819 0.010 1.244 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.326 0.055 1.033 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.333 -1.426 1.377 1.00 0.00 C ATOM 0 H VAL A 590 1.479 1.508 2.087 1.00 0.00 H new ATOM 0 HA VAL A 590 3.853 0.368 3.373 1.00 0.00 H new ATOM 0 HB VAL A 590 3.341 0.452 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.588 -0.531 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.643 1.088 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.828 -0.360 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.623 -1.992 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.780 -1.881 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.247 -1.435 1.474 1.00 0.00 H new ATOM 878 N GLN A 591 4.851 2.633 3.255 1.00 0.00 N ATOM 879 CA GLN A 591 5.446 3.963 3.228 1.00 0.00 C ATOM 880 C GLN A 591 6.886 3.905 2.727 1.00 0.00 C ATOM 881 O GLN A 591 7.708 3.158 3.256 1.00 0.00 O ATOM 882 CB GLN A 591 5.404 4.591 4.622 1.00 0.00 C ATOM 883 CG GLN A 591 6.057 5.962 4.691 1.00 0.00 C ATOM 884 CD GLN A 591 6.624 6.270 6.062 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.594 5.649 6.499 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.022 7.233 6.750 1.00 0.00 N ATOM 0 H GLN A 591 5.170 2.043 4.024 1.00 0.00 H new ATOM 0 HA GLN A 591 4.866 4.580 2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.366 4.676 4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 591 5.902 3.925 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.855 6.018 3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.323 6.723 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 591 5.221 7.722 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.360 7.484 7.679 1.00 0.00 H new ATOM 895 N PHE A 592 7.182 4.698 1.703 1.00 0.00 N ATOM 896 CA PHE A 592 8.522 4.735 1.128 1.00 0.00 C ATOM 897 C PHE A 592 9.198 6.074 1.414 1.00 0.00 C ATOM 898 O PHE A 592 8.540 7.052 1.768 1.00 0.00 O ATOM 899 CB PHE A 592 8.460 4.495 -0.382 1.00 0.00 C ATOM 900 CG PHE A 592 7.821 3.187 -0.754 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.398 1.986 -0.373 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.644 3.160 -1.484 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.812 0.781 -0.714 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.053 1.958 -1.827 1.00 0.00 C ATOM 905 CZ PHE A 592 6.639 0.767 -1.442 1.00 0.00 C ATOM 0 H PHE A 592 6.513 5.323 1.254 1.00 0.00 H new ATOM 0 HA PHE A 592 9.111 3.943 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.904 5.308 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.471 4.525 -0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.316 1.991 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.183 4.088 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.271 -0.148 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.135 1.950 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.180 -0.173 -1.710 1.00 0.00 H new ATOM 915 N LYS A 593 10.517 6.108 1.257 1.00 0.00 N ATOM 916 CA LYS A 593 11.285 7.324 1.496 1.00 0.00 C ATOM 917 C LYS A 593 10.959 8.388 0.453 1.00 0.00 C ATOM 918 O LYS A 593 10.494 9.477 0.787 1.00 0.00 O ATOM 919 CB LYS A 593 12.784 7.018 1.477 1.00 0.00 C ATOM 920 CG LYS A 593 13.286 6.354 2.747 1.00 0.00 C ATOM 921 CD LYS A 593 13.058 4.851 2.718 1.00 0.00 C ATOM 922 CE LYS A 593 13.695 4.168 3.918 1.00 0.00 C ATOM 923 NZ LYS A 593 13.058 4.589 5.198 1.00 0.00 N ATOM 0 H LYS A 593 11.077 5.307 0.965 1.00 0.00 H new ATOM 0 HA LYS A 593 11.012 7.708 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.003 6.371 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.334 7.946 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 593 14.349 6.559 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.776 6.784 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 593 11.988 4.644 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.473 4.437 1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 593 13.610 3.087 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.759 4.403 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 13.449 4.028 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 13.249 5.598 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 12.031 4.435 5.142 1.00 0.00 H new ATOM 937 N ASN A 594 11.205 8.064 -0.813 1.00 0.00 N ATOM 938 CA ASN A 594 10.936 8.992 -1.906 1.00 0.00 C ATOM 939 C ASN A 594 10.243 8.281 -3.064 1.00 0.00 C ATOM 940 O ASN A 594 10.219 7.053 -3.126 1.00 0.00 O ATOM 941 CB ASN A 594 12.239 9.630 -2.392 1.00 0.00 C ATOM 942 CG ASN A 594 13.375 8.630 -2.483 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.153 7.442 -2.716 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.600 9.108 -2.299 1.00 0.00 N ATOM 0 H ASN A 594 11.590 7.166 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 594 10.273 9.773 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.076 10.081 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.521 10.435 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.404 8.483 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.737 10.101 -2.108 1.00 0.00 H new ATOM 951 N GLU A 595 9.680 9.064 -3.979 1.00 0.00 N ATOM 952 CA GLU A 595 8.985 8.510 -5.135 1.00 0.00 C ATOM 953 C GLU A 595 9.844 7.459 -5.834 1.00 0.00 C ATOM 954 O GLU A 595 9.327 6.496 -6.400 1.00 0.00 O ATOM 955 CB GLU A 595 8.619 9.621 -6.120 1.00 0.00 C ATOM 956 CG GLU A 595 7.769 10.722 -5.507 1.00 0.00 C ATOM 957 CD GLU A 595 7.141 11.624 -6.552 1.00 0.00 C ATOM 958 OE1 GLU A 595 7.829 12.551 -7.027 1.00 0.00 O ATOM 959 OE2 GLU A 595 5.960 11.402 -6.893 1.00 0.00 O ATOM 0 H GLU A 595 9.692 10.083 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 595 8.071 8.032 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.535 10.059 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.082 9.186 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.983 10.273 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.386 11.322 -4.838 1.00 0.00 H new ATOM 966 N ASP A 596 11.157 7.652 -5.788 1.00 0.00 N ATOM 967 CA ASP A 596 12.089 6.723 -6.417 1.00 0.00 C ATOM 968 C ASP A 596 11.707 5.278 -6.108 1.00 0.00 C ATOM 969 O ASP A 596 11.930 4.380 -6.919 1.00 0.00 O ATOM 970 CB ASP A 596 13.516 6.999 -5.940 1.00 0.00 C ATOM 971 CG ASP A 596 14.545 6.172 -6.686 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.375 4.937 -6.759 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.520 6.761 -7.199 1.00 0.00 O ATOM 0 H ASP A 596 11.601 8.443 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 596 12.039 6.871 -7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.741 8.058 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.587 6.786 -4.873 1.00 0.00 H new ATOM 978 N ASP A 597 11.130 5.064 -4.930 1.00 0.00 N ATOM 979 CA ASP A 597 10.717 3.729 -4.514 1.00 0.00 C ATOM 980 C ASP A 597 9.244 3.493 -4.830 1.00 0.00 C ATOM 981 O ASP A 597 8.846 2.385 -5.188 1.00 0.00 O ATOM 982 CB ASP A 597 10.967 3.539 -3.016 1.00 0.00 C ATOM 983 CG ASP A 597 12.370 3.048 -2.721 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.931 2.314 -3.561 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.908 3.398 -1.649 1.00 0.00 O ATOM 0 H ASP A 597 10.938 5.797 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 597 11.310 3.002 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.800 4.485 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.245 2.827 -2.618 1.00 0.00 H new ATOM 990 N ALA A 598 8.439 4.542 -4.694 1.00 0.00 N ATOM 991 CA ALA A 598 7.010 4.449 -4.967 1.00 0.00 C ATOM 992 C ALA A 598 6.752 4.084 -6.425 1.00 0.00 C ATOM 993 O ALA A 598 6.060 3.109 -6.717 1.00 0.00 O ATOM 994 CB ALA A 598 6.320 5.759 -4.619 1.00 0.00 C ATOM 0 H ALA A 598 8.752 5.466 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 598 6.597 3.657 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.253 5.675 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.467 5.978 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.745 6.564 -5.218 1.00 0.00 H new ATOM 1000 N ARG A 599 7.312 4.874 -7.336 1.00 0.00 N ATOM 1001 CA ARG A 599 7.140 4.634 -8.764 1.00 0.00 C ATOM 1002 C ARG A 599 7.360 3.162 -9.099 1.00 0.00 C ATOM 1003 O ARG A 599 6.898 2.673 -10.129 1.00 0.00 O ATOM 1004 CB ARG A 599 8.110 5.502 -9.568 1.00 0.00 C ATOM 1005 CG ARG A 599 7.646 6.940 -9.737 1.00 0.00 C ATOM 1006 CD ARG A 599 6.723 7.090 -10.935 1.00 0.00 C ATOM 1007 NE ARG A 599 5.951 8.328 -10.881 1.00 0.00 N ATOM 1008 CZ ARG A 599 5.206 8.776 -11.885 1.00 0.00 C ATOM 1009 NH1 ARG A 599 5.133 8.090 -13.018 1.00 0.00 N ATOM 1010 NH2 ARG A 599 4.532 9.911 -11.758 1.00 0.00 N ATOM 0 H ARG A 599 7.888 5.685 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 599 6.117 4.900 -9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.082 5.499 -9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.251 5.057 -10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.128 7.265 -8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.512 7.591 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 599 7.313 7.071 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 599 6.042 6.240 -10.976 1.00 0.00 H new ATOM 0 HE ARG A 599 5.986 8.880 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 599 5.650 7.216 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 599 4.560 8.436 -13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 599 4.585 10.441 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 599 3.960 10.254 -12.530 1.00 0.00 H new ATOM 1024 N LYS A 600 8.071 2.461 -8.221 1.00 0.00 N ATOM 1025 CA LYS A 600 8.353 1.045 -8.422 1.00 0.00 C ATOM 1026 C LYS A 600 7.240 0.181 -7.839 1.00 0.00 C ATOM 1027 O LYS A 600 6.866 -0.840 -8.417 1.00 0.00 O ATOM 1028 CB LYS A 600 9.691 0.674 -7.779 1.00 0.00 C ATOM 1029 CG LYS A 600 10.886 1.351 -8.427 1.00 0.00 C ATOM 1030 CD LYS A 600 12.120 1.269 -7.544 1.00 0.00 C ATOM 1031 CE LYS A 600 13.397 1.409 -8.358 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.565 0.796 -7.666 1.00 0.00 N ATOM 0 H LYS A 600 8.462 2.851 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 600 8.409 0.860 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.663 0.940 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.823 -0.407 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 600 11.094 0.882 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.649 2.396 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.081 2.054 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.127 0.316 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.262 0.936 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.597 2.465 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 15.416 0.912 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.710 1.264 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.385 -0.217 -7.513 1.00 0.00 H new ATOM 1046 N SER A 601 6.712 0.597 -6.692 1.00 0.00 N ATOM 1047 CA SER A 601 5.643 -0.140 -6.030 1.00 0.00 C ATOM 1048 C SER A 601 4.337 -0.020 -6.809 1.00 0.00 C ATOM 1049 O SER A 601 3.390 -0.770 -6.573 1.00 0.00 O ATOM 1050 CB SER A 601 5.448 0.373 -4.602 1.00 0.00 C ATOM 1051 OG SER A 601 4.642 1.538 -4.586 1.00 0.00 O ATOM 0 H SER A 601 7.008 1.441 -6.202 1.00 0.00 H new ATOM 0 HA SER A 601 5.929 -1.191 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.984 -0.403 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.418 0.591 -4.155 1.00 0.00 H new ATOM 0 HG SER A 601 4.970 2.172 -5.257 1.00 0.00 H new ATOM 1057 N GLU A 602 4.295 0.931 -7.737 1.00 0.00 N ATOM 1058 CA GLU A 602 3.104 1.150 -8.551 1.00 0.00 C ATOM 1059 C GLU A 602 3.174 0.344 -9.845 1.00 0.00 C ATOM 1060 O GLU A 602 2.149 0.055 -10.463 1.00 0.00 O ATOM 1061 CB GLU A 602 2.946 2.638 -8.872 1.00 0.00 C ATOM 1062 CG GLU A 602 3.729 3.083 -10.095 1.00 0.00 C ATOM 1063 CD GLU A 602 2.976 2.843 -11.388 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.734 2.966 -11.384 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.631 2.533 -12.406 1.00 0.00 O ATOM 0 H GLU A 602 5.070 1.561 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 602 2.238 0.814 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.890 2.857 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 602 3.270 3.223 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.962 4.144 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.679 2.549 -10.128 1.00 0.00 H new ATOM 1072 N ARG A 603 4.388 -0.014 -10.248 1.00 0.00 N ATOM 1073 CA ARG A 603 4.592 -0.784 -11.469 1.00 0.00 C ATOM 1074 C ARG A 603 4.020 -2.192 -11.326 1.00 0.00 C ATOM 1075 O ARG A 603 3.792 -2.885 -12.317 1.00 0.00 O ATOM 1076 CB ARG A 603 6.081 -0.859 -11.808 1.00 0.00 C ATOM 1077 CG ARG A 603 6.365 -1.451 -13.178 1.00 0.00 C ATOM 1078 CD ARG A 603 7.786 -1.988 -13.270 1.00 0.00 C ATOM 1079 NE ARG A 603 7.893 -3.344 -12.739 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.412 -4.417 -13.356 1.00 0.00 C ATOM 1081 NH1 ARG A 603 6.793 -4.291 -14.523 1.00 0.00 N ATOM 1082 NH2 ARG A 603 7.548 -5.617 -12.809 1.00 0.00 N ATOM 0 H ARG A 603 5.246 0.217 -9.747 1.00 0.00 H new ATOM 0 HA ARG A 603 4.067 -0.278 -12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.507 0.143 -11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.588 -1.458 -11.051 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.657 -2.255 -13.382 1.00 0.00 H new ATOM 0 HG3 ARG A 603 6.212 -0.690 -13.943 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.110 -1.979 -14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.459 -1.329 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 603 8.364 -3.474 -11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 603 6.686 -3.369 -14.947 1.00 0.00 H new ATOM 0 HH12 ARG A 603 6.424 -5.116 -14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.023 -5.718 -11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 603 7.178 -6.439 -13.285 1.00 0.00 H new ATOM 1096 N LEU A 604 3.791 -2.608 -10.084 1.00 0.00 N ATOM 1097 CA LEU A 604 3.247 -3.933 -9.810 1.00 0.00 C ATOM 1098 C LEU A 604 1.729 -3.881 -9.673 1.00 0.00 C ATOM 1099 O LEU A 604 1.094 -4.864 -9.289 1.00 0.00 O ATOM 1100 CB LEU A 604 3.866 -4.507 -8.534 1.00 0.00 C ATOM 1101 CG LEU A 604 5.379 -4.728 -8.564 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.887 -5.117 -7.184 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.743 -5.791 -9.589 1.00 0.00 C ATOM 0 H LEU A 604 3.974 -2.047 -9.252 1.00 0.00 H new ATOM 0 HA LEU A 604 3.496 -4.581 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.633 -3.836 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.384 -5.460 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 604 5.859 -3.794 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.965 -5.271 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.659 -4.321 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.401 -6.038 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.823 -5.935 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.254 -6.730 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.413 -5.471 -10.577 1.00 0.00 H new ATOM 1115 N HIS A 605 1.151 -2.727 -9.992 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.294 -2.547 -9.907 1.00 0.00 C ATOM 1117 C HIS A 605 -1.025 -3.638 -10.683 1.00 0.00 C ATOM 1118 O HIS A 605 -0.512 -4.158 -11.674 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.690 -1.171 -10.445 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.171 -0.972 -10.549 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.995 -0.865 -9.447 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.976 -0.860 -11.631 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.243 -0.696 -9.849 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.258 -0.689 -11.170 1.00 0.00 N ATOM 0 H HIS A 605 1.661 -1.903 -10.311 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.582 -2.617 -8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.273 -0.402 -9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.243 -1.033 -11.429 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.667 -0.898 -12.665 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.104 -0.583 -9.207 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.087 -0.575 -11.753 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.224 -3.983 -10.223 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.024 -5.014 -10.874 1.00 0.00 C ATOM 1134 C ARG A 606 -2.219 -6.301 -11.040 1.00 0.00 C ATOM 1135 O ARG A 606 -2.104 -6.836 -12.143 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.513 -4.526 -12.239 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.822 -3.755 -12.176 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.224 -3.229 -13.545 1.00 0.00 C ATOM 1139 NE ARG A 606 -6.479 -2.484 -13.497 1.00 0.00 N ATOM 1140 CZ ARG A 606 -6.827 -1.571 -14.398 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -6.018 -1.294 -15.411 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -7.986 -0.935 -14.287 1.00 0.00 N ATOM 0 H ARG A 606 -2.662 -3.564 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.887 -5.223 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.748 -3.890 -12.684 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.638 -5.384 -12.899 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.609 -4.402 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.722 -2.922 -11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.434 -2.585 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.324 -4.063 -14.239 1.00 0.00 H new ATOM 0 HE ARG A 606 -7.124 -2.675 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.127 -1.782 -15.500 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -6.287 -0.593 -16.101 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -8.611 -1.146 -13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -8.252 -0.235 -14.979 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.664 -6.791 -9.937 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.872 -8.016 -9.959 1.00 0.00 C ATOM 1158 C LYS A 607 -1.611 -9.155 -9.265 1.00 0.00 C ATOM 1159 O LYS A 607 -2.525 -8.925 -8.474 1.00 0.00 O ATOM 1160 CB LYS A 607 0.481 -7.783 -9.283 1.00 0.00 C ATOM 1161 CG LYS A 607 1.568 -7.318 -10.237 1.00 0.00 C ATOM 1162 CD LYS A 607 2.306 -8.493 -10.856 1.00 0.00 C ATOM 1163 CE LYS A 607 3.387 -8.027 -11.820 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.305 -9.135 -12.201 1.00 0.00 N ATOM 0 H LYS A 607 -1.748 -6.359 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.708 -8.296 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.360 -7.040 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.802 -8.708 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.126 -6.709 -11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.275 -6.683 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.756 -9.098 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.598 -9.132 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 607 2.922 -7.616 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 607 3.961 -7.222 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 5.027 -8.777 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.768 -9.511 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.762 -9.893 -12.662 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.207 -10.385 -9.564 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.828 -11.561 -8.966 1.00 0.00 C ATOM 1180 C LYS A 608 -1.018 -12.058 -7.774 1.00 0.00 C ATOM 1181 O LYS A 608 0.132 -12.476 -7.923 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.963 -12.676 -10.006 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.825 -12.296 -11.198 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.977 -13.454 -12.169 1.00 0.00 C ATOM 1185 CE LYS A 608 -4.190 -13.274 -13.067 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.422 -14.464 -13.933 1.00 0.00 N ATOM 0 H LYS A 608 -0.452 -10.593 -10.217 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.820 -11.278 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.970 -12.953 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.388 -13.558 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.809 -11.980 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.380 -11.444 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.079 -13.537 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.070 -14.387 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -5.073 -13.094 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -4.051 -12.392 -13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -5.258 -14.301 -14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -3.590 -14.621 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -4.580 -15.302 -13.337 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.622 -12.013 -6.592 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.957 -12.461 -5.375 1.00 0.00 C ATOM 1202 C LEU A 609 -1.673 -13.666 -4.774 1.00 0.00 C ATOM 1203 O LEU A 609 -2.815 -13.562 -4.327 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.902 -11.324 -4.353 1.00 0.00 C ATOM 1205 CG LEU A 609 0.035 -11.537 -3.162 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.083 -10.291 -2.292 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.406 -12.742 -2.346 1.00 0.00 C ATOM 0 H LEU A 609 -2.572 -11.670 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 609 0.059 -12.758 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.600 -10.413 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.909 -11.156 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 609 1.038 -11.729 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.754 -10.461 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.446 -9.449 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.917 -10.068 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.272 -12.878 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.418 -12.580 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.388 -13.633 -2.974 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.993 -14.808 -4.765 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.565 -16.033 -4.217 1.00 0.00 C ATOM 1221 C ASN A 610 -2.835 -16.424 -4.968 1.00 0.00 C ATOM 1222 O ASN A 610 -3.701 -17.110 -4.426 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.873 -15.856 -2.729 1.00 0.00 C ATOM 1224 CG ASN A 610 -1.971 -17.181 -1.998 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.252 -18.217 -2.601 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.740 -17.153 -0.690 1.00 0.00 N ATOM 0 H ASN A 610 -0.046 -14.911 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.833 -16.831 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.094 -15.247 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.811 -15.312 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -1.792 -18.013 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.510 -16.271 -0.231 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.937 -15.982 -6.217 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.103 -16.296 -7.022 1.00 0.00 C ATOM 1235 C GLY A 611 -5.258 -15.347 -6.764 1.00 0.00 C ATOM 1236 O GLY A 611 -6.414 -15.684 -7.017 1.00 0.00 O ATOM 0 H GLY A 611 -2.233 -15.412 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.833 -16.257 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.422 -17.317 -6.812 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.943 -14.160 -6.257 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.964 -13.161 -5.962 1.00 0.00 C ATOM 1242 C ARG A 612 -5.528 -11.780 -6.441 1.00 0.00 C ATOM 1243 O ARG A 612 -4.590 -11.193 -5.902 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.253 -13.124 -4.460 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.345 -14.087 -4.026 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.069 -13.586 -2.787 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.416 -14.140 -2.677 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.679 -15.340 -2.169 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -8.691 -16.105 -1.725 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.930 -15.775 -2.104 1.00 0.00 N ATOM 0 H ARG A 612 -3.990 -13.866 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.874 -13.440 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.337 -13.358 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.541 -12.111 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.060 -14.218 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.909 -15.065 -3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.495 -13.852 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.126 -12.498 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 612 -10.198 -13.575 -3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -7.728 -15.773 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -8.894 -17.026 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.692 -15.189 -2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.130 -16.696 -1.714 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.214 -11.268 -7.458 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.896 -9.956 -8.010 1.00 0.00 C ATOM 1266 C GLU A 613 -5.589 -8.958 -6.898 1.00 0.00 C ATOM 1267 O GLU A 613 -6.223 -8.973 -5.843 1.00 0.00 O ATOM 1268 CB GLU A 613 -7.057 -9.442 -8.865 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.476 -10.404 -9.963 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.086 -9.698 -11.158 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -7.580 -8.620 -11.533 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -9.072 -10.223 -11.717 1.00 0.00 O ATOM 0 H GLU A 613 -6.993 -11.741 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 613 -5.010 -10.059 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.913 -9.245 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.772 -8.491 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.608 -10.977 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -8.196 -11.117 -9.561 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.611 -8.091 -7.142 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.221 -7.084 -6.163 1.00 0.00 C ATOM 1281 C ALA A 614 -4.150 -5.700 -6.797 1.00 0.00 C ATOM 1282 O ALA A 614 -3.757 -5.555 -7.954 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.882 -7.449 -5.537 1.00 0.00 C ATOM 0 H ALA A 614 -4.075 -8.066 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.981 -7.058 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.602 -6.689 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.964 -8.416 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.120 -7.504 -6.314 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.535 -4.683 -6.033 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.517 -3.309 -6.521 1.00 0.00 C ATOM 1291 C PHE A 615 -3.666 -2.422 -5.617 1.00 0.00 C ATOM 1292 O PHE A 615 -3.846 -2.402 -4.399 1.00 0.00 O ATOM 1293 CB PHE A 615 -5.941 -2.756 -6.602 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.832 -3.528 -7.533 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.236 -4.816 -7.218 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.265 -2.966 -8.724 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.055 -5.529 -8.073 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.085 -3.675 -9.581 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.480 -4.958 -9.256 1.00 0.00 C ATOM 0 H PHE A 615 -4.863 -4.785 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.077 -3.310 -7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.381 -2.760 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.901 -1.717 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -6.907 -5.268 -6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -6.958 -1.964 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -8.362 -6.532 -7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -8.417 -3.226 -10.505 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.120 -5.513 -9.926 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.737 -1.689 -6.223 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.857 -0.799 -5.475 1.00 0.00 C ATOM 1311 C VAL A 616 -2.145 0.662 -5.803 1.00 0.00 C ATOM 1312 O VAL A 616 -1.979 1.097 -6.943 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.375 -1.098 -5.769 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.525 -0.283 -4.852 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.092 -2.584 -5.623 1.00 0.00 C ATOM 0 H VAL A 616 -2.574 -1.694 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.052 -0.976 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.161 -0.811 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.569 -0.507 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.340 0.779 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.312 -0.537 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.960 -2.777 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.321 -2.900 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.711 -3.143 -6.324 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.578 1.414 -4.797 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.888 2.828 -4.978 1.00 0.00 C ATOM 1327 C HIS A 617 -1.766 3.705 -4.432 1.00 0.00 C ATOM 1328 O HIS A 617 -1.347 3.553 -3.284 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.206 3.176 -4.284 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.419 2.775 -5.067 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.094 1.591 -4.854 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.077 3.407 -6.066 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.115 1.514 -5.688 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.126 2.604 -6.435 1.00 0.00 N ATOM 0 H HIS A 617 -2.722 1.069 -3.848 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.987 3.018 -6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.234 2.687 -3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.239 4.250 -4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.823 4.366 -6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.821 0.699 -5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.804 2.814 -7.167 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.282 4.624 -5.261 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.208 5.527 -4.861 1.00 0.00 C ATOM 1344 C VAL A 618 -0.765 6.851 -4.349 1.00 0.00 C ATOM 1345 O VAL A 618 -1.321 7.639 -5.113 1.00 0.00 O ATOM 1346 CB VAL A 618 0.756 5.804 -6.029 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.847 6.774 -5.602 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.356 4.505 -6.545 1.00 0.00 C ATOM 0 H VAL A 618 -1.616 4.763 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 618 0.339 5.033 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 618 0.193 6.264 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.519 6.958 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.395 7.714 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.410 6.346 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.035 4.720 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.905 4.014 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.558 3.849 -6.893 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.610 7.089 -3.050 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.095 8.319 -2.436 1.00 0.00 C ATOM 1360 C VAL A 619 0.010 9.012 -1.648 1.00 0.00 C ATOM 1361 O VAL A 619 1.137 8.522 -1.574 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.285 8.044 -1.497 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.452 7.452 -2.273 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.866 7.124 -0.361 1.00 0.00 C ATOM 0 H VAL A 619 -0.153 6.446 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.423 8.971 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.611 8.990 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.283 7.264 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.767 8.152 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.143 6.515 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.719 6.941 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.513 6.178 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.065 7.593 0.211 1.00 0.00 H new ATOM 1374 N THR A 620 -0.320 10.159 -1.061 1.00 0.00 N ATOM 1375 CA THR A 620 0.645 10.922 -0.280 1.00 0.00 C ATOM 1376 C THR A 620 0.604 10.519 1.189 1.00 0.00 C ATOM 1377 O THR A 620 -0.454 10.182 1.722 1.00 0.00 O ATOM 1378 CB THR A 620 0.386 12.437 -0.392 1.00 0.00 C ATOM 1379 OG1 THR A 620 -0.959 12.735 -0.004 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.630 12.924 -1.813 1.00 0.00 C ATOM 0 H THR A 620 -1.248 10.579 -1.112 1.00 0.00 H new ATOM 0 HA THR A 620 1.630 10.698 -0.689 1.00 0.00 H new ATOM 0 HB THR A 620 1.077 12.951 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.114 13.700 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.441 13.996 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.664 12.723 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.040 12.402 -2.497 1.00 0.00 H new ATOM 1388 N LEU A 621 1.761 10.556 1.840 1.00 0.00 N ATOM 1389 CA LEU A 621 1.858 10.195 3.251 1.00 0.00 C ATOM 1390 C LEU A 621 0.637 10.685 4.022 1.00 0.00 C ATOM 1391 O LEU A 621 -0.074 9.895 4.645 1.00 0.00 O ATOM 1392 CB LEU A 621 3.132 10.782 3.861 1.00 0.00 C ATOM 1393 CG LEU A 621 3.423 10.388 5.310 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.045 8.936 5.556 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.890 10.623 5.641 1.00 0.00 C ATOM 0 H LEU A 621 2.646 10.832 1.414 1.00 0.00 H new ATOM 0 HA LEU A 621 1.897 9.108 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.979 10.479 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.070 11.869 3.806 1.00 0.00 H new ATOM 0 HG LEU A 621 2.818 11.014 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.259 8.675 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 621 1.982 8.799 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.623 8.292 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.080 10.338 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.513 10.022 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.129 11.678 5.506 1.00 0.00 H new ATOM 1407 N GLU A 622 0.398 11.992 3.975 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.738 12.585 4.670 1.00 0.00 C ATOM 1409 C GLU A 622 -1.989 11.730 4.496 1.00 0.00 C ATOM 1410 O GLU A 622 -2.656 11.382 5.471 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.998 14.001 4.152 1.00 0.00 C ATOM 1412 CG GLU A 622 0.121 14.980 4.466 1.00 0.00 C ATOM 1413 CD GLU A 622 -0.193 16.392 4.010 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.342 16.838 4.211 1.00 0.00 O ATOM 1415 OE2 GLU A 622 0.710 17.049 3.450 1.00 0.00 O ATOM 0 H GLU A 622 0.975 12.659 3.463 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.497 12.633 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -1.143 13.963 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.926 14.372 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 622 0.306 14.982 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 622 1.039 14.643 3.985 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.302 11.398 3.249 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.473 10.583 2.946 1.00 0.00 C ATOM 1424 C ASP A 623 -3.377 9.220 3.624 1.00 0.00 C ATOM 1425 O ASP A 623 -4.363 8.708 4.153 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.619 10.405 1.434 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.266 11.605 0.769 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.375 11.991 1.193 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.663 12.157 -0.174 1.00 0.00 O ATOM 0 H ASP A 623 -1.762 11.680 2.431 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.353 11.098 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.636 10.236 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.216 9.516 1.232 1.00 0.00 H new ATOM 1434 N MET A 624 -2.183 8.637 3.603 1.00 0.00 N ATOM 1435 CA MET A 624 -1.959 7.333 4.217 1.00 0.00 C ATOM 1436 C MET A 624 -2.255 7.377 5.712 1.00 0.00 C ATOM 1437 O MET A 624 -2.851 6.452 6.264 1.00 0.00 O ATOM 1438 CB MET A 624 -0.518 6.877 3.983 1.00 0.00 C ATOM 1439 CG MET A 624 -0.348 5.366 4.005 1.00 0.00 C ATOM 1440 SD MET A 624 1.320 4.863 4.470 1.00 0.00 S ATOM 1441 CE MET A 624 1.152 4.741 6.250 1.00 0.00 C ATOM 0 H MET A 624 -1.356 9.046 3.168 1.00 0.00 H new ATOM 0 HA MET A 624 -2.639 6.619 3.752 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.176 7.259 3.021 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.123 7.318 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 624 -1.062 4.934 4.706 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.584 4.963 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.127 4.543 6.695 1.00 0.00 H new ATOM 0 HE2 MET A 624 0.758 5.678 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 624 0.469 3.928 6.496 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.834 8.458 6.362 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.053 8.621 7.794 1.00 0.00 C ATOM 1453 C ARG A 625 -3.544 8.639 8.118 1.00 0.00 C ATOM 1454 O ARG A 625 -3.977 8.070 9.119 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.398 9.913 8.287 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.145 9.934 9.785 1.00 0.00 C ATOM 1457 CD ARG A 625 -1.206 11.347 10.341 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.381 11.502 11.537 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.475 12.535 12.367 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -1.353 13.500 12.132 1.00 0.00 N ATOM 1461 NH2 ARG A 625 0.310 12.604 13.434 1.00 0.00 N ATOM 0 H ARG A 625 -1.340 9.233 5.920 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.598 7.772 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.451 10.052 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.035 10.757 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.885 9.312 10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.167 9.501 9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -0.874 12.051 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.240 11.598 10.579 1.00 0.00 H new ATOM 0 HE ARG A 625 0.305 10.777 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -1.958 13.450 11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -1.423 14.292 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 625 0.987 11.863 13.618 1.00 0.00 H new ATOM 0 HH22 ARG A 625 0.237 13.398 14.070 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.322 9.295 7.263 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.765 9.387 7.460 1.00 0.00 C ATOM 1477 C GLU A 626 -6.413 8.009 7.381 1.00 0.00 C ATOM 1478 O GLU A 626 -7.267 7.665 8.200 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.386 10.315 6.414 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.321 11.787 6.792 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.810 12.695 5.680 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -7.940 12.482 5.193 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.063 13.621 5.299 1.00 0.00 O ATOM 0 H GLU A 626 -3.979 9.770 6.428 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.945 9.798 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.875 10.170 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.428 10.033 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.922 11.956 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.294 12.049 7.045 1.00 0.00 H new ATOM 1490 N ILE A 627 -6.003 7.223 6.391 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.544 5.882 6.205 1.00 0.00 C ATOM 1492 C ILE A 627 -6.235 4.995 7.407 1.00 0.00 C ATOM 1493 O ILE A 627 -7.122 4.332 7.944 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.981 5.220 4.934 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.361 6.036 3.697 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.491 3.792 4.811 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.614 5.624 2.448 1.00 0.00 C ATOM 0 H ILE A 627 -5.298 7.492 5.705 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.624 5.987 6.101 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.894 5.192 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.432 5.935 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.169 7.091 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.085 3.337 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.175 3.217 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.580 3.798 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.934 6.245 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.543 5.752 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.826 4.578 2.226 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.972 4.988 7.823 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.548 4.182 8.962 1.00 0.00 C ATOM 1511 C GLU A 628 -5.542 4.302 10.113 1.00 0.00 C ATOM 1512 O GLU A 628 -5.889 3.311 10.756 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.156 4.612 9.428 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.614 3.775 10.574 1.00 0.00 C ATOM 1515 CD GLU A 628 -3.115 4.243 11.927 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.457 5.115 12.532 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -4.162 3.737 12.379 1.00 0.00 O ATOM 0 H GLU A 628 -4.226 5.531 7.389 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.511 3.140 8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.466 4.552 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.192 5.657 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.900 2.734 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.525 3.811 10.562 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.998 5.524 10.369 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.953 5.775 11.442 1.00 0.00 C ATOM 1526 C LYS A 629 -8.251 5.011 11.204 1.00 0.00 C ATOM 1527 O LYS A 629 -8.780 4.370 12.112 1.00 0.00 O ATOM 1528 CB LYS A 629 -7.244 7.274 11.553 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.084 8.078 12.115 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.163 9.537 11.697 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.792 10.196 11.710 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.887 11.673 11.867 1.00 0.00 N ATOM 0 H LYS A 629 -5.721 6.356 9.848 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.513 5.426 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -7.499 7.660 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -8.118 7.420 12.188 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.086 8.010 13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -5.143 7.650 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.592 9.607 10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -6.832 10.074 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.198 9.782 12.525 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.268 9.962 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.932 12.084 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.432 12.072 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.364 11.897 12.764 1.00 0.00 H new