USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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 600 THR OG1 : rot -52:sc= -1.25! USER MOD Set 1.2: A 605 GLN : amide:sc= -5.02! C(o=-6.3!,f=-4.9!) USER MOD Set 2.1: A 531 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.43) USER MOD Set 2.2: A 577 SER OG : rot -160:sc= 0.0177 USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 530 GLN : amide:sc= -2.43 K(o=-2.4,f=-1.3) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -169:sc= -0.0166 (180deg=-0.179) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.23) USER MOD Single : A 550 THR OG1 : rot 108:sc= 0.965 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.482 USER MOD Single : A 553 TYR OH : rot 53:sc= 0.978 USER MOD Single : A 556 CYS SG : rot 180:sc= 0 USER MOD Single : A 558 LYS NZ :NH3+ 159:sc= -0.0469 (180deg=-0.428) USER MOD Single : A 560 MET CE :methyl 149:sc= -0.593 (180deg=-1.59!) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 562 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 568 LYS NZ :NH3+ 141:sc= 1.21 (180deg=1.02) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 571 SER OG : rot 91:sc= 0.159 USER MOD Single : A 573 ASN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 582 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-9.8!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 155:sc= -0.166 (180deg=-0.721) USER MOD Single : A 608 GLN : amide:sc=-0.00294 K(o=-0.0029,f=-0.8) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -6.889 -10.284 -0.845 1.00 0.00 N ATOM 95 CA ALA A 520 -7.287 -9.436 -1.949 1.00 0.00 C ATOM 96 C ALA A 520 -6.593 -9.857 -3.234 1.00 0.00 C ATOM 97 O ALA A 520 -5.503 -10.431 -3.200 1.00 0.00 O ATOM 98 CB ALA A 520 -6.976 -7.985 -1.626 1.00 0.00 C ATOM 0 HA ALA A 520 -8.362 -9.542 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.278 -7.353 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.521 -7.687 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.906 -7.872 -1.454 1.00 0.00 H new ATOM 104 N THR A 521 -7.228 -9.592 -4.362 1.00 0.00 N ATOM 105 CA THR A 521 -6.617 -9.817 -5.657 1.00 0.00 C ATOM 106 C THR A 521 -6.110 -8.507 -6.233 1.00 0.00 C ATOM 107 O THR A 521 -6.757 -7.476 -6.078 1.00 0.00 O ATOM 108 CB THR A 521 -7.618 -10.457 -6.634 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.952 -10.055 -6.297 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.512 -11.971 -6.611 1.00 0.00 C ATOM 0 H THR A 521 -8.176 -9.217 -4.405 1.00 0.00 H new ATOM 0 HA THR A 521 -5.779 -10.500 -5.520 1.00 0.00 H new ATOM 0 HB THR A 521 -7.379 -10.115 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.585 -10.464 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 521 -8.231 -12.397 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.504 -12.270 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.725 -12.335 -5.606 1.00 0.00 H new ATOM 118 N PRO A 522 -4.946 -8.528 -6.899 1.00 0.00 N ATOM 119 CA PRO A 522 -4.334 -7.321 -7.464 1.00 0.00 C ATOM 120 C PRO A 522 -5.305 -6.536 -8.342 1.00 0.00 C ATOM 121 O PRO A 522 -5.370 -5.307 -8.271 1.00 0.00 O ATOM 122 CB PRO A 522 -3.163 -7.857 -8.305 1.00 0.00 C ATOM 123 CG PRO A 522 -3.347 -9.339 -8.369 1.00 0.00 C ATOM 124 CD PRO A 522 -4.124 -9.720 -7.145 1.00 0.00 C ATOM 0 HA PRO A 522 -4.025 -6.625 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -3.167 -7.420 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.206 -7.602 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.882 -9.626 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.384 -9.850 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.736 -10.606 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.469 -9.941 -6.302 1.00 0.00 H new ATOM 132 N GLU A 523 -6.046 -7.260 -9.172 1.00 0.00 N ATOM 133 CA GLU A 523 -7.045 -6.648 -10.042 1.00 0.00 C ATOM 134 C GLU A 523 -8.041 -5.816 -9.214 1.00 0.00 C ATOM 135 O GLU A 523 -8.413 -4.709 -9.602 1.00 0.00 O ATOM 136 CB GLU A 523 -7.785 -7.714 -10.858 1.00 0.00 C ATOM 137 CG GLU A 523 -8.551 -8.720 -10.014 1.00 0.00 C ATOM 138 CD GLU A 523 -9.402 -9.649 -10.849 1.00 0.00 C ATOM 139 OE1 GLU A 523 -10.404 -9.180 -11.431 1.00 0.00 O ATOM 140 OE2 GLU A 523 -9.076 -10.849 -10.924 1.00 0.00 O ATOM 0 H GLU A 523 -5.974 -8.274 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.531 -5.984 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.481 -7.219 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -7.064 -8.249 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.846 -9.308 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -9.187 -8.187 -9.307 1.00 0.00 H new ATOM 147 N GLU A 524 -8.463 -6.358 -8.074 1.00 0.00 N ATOM 148 CA GLU A 524 -9.351 -5.652 -7.161 1.00 0.00 C ATOM 149 C GLU A 524 -8.616 -4.530 -6.420 1.00 0.00 C ATOM 150 O GLU A 524 -9.206 -3.513 -6.083 1.00 0.00 O ATOM 151 CB GLU A 524 -9.974 -6.630 -6.161 1.00 0.00 C ATOM 152 CG GLU A 524 -10.918 -7.646 -6.793 1.00 0.00 C ATOM 153 CD GLU A 524 -12.112 -7.009 -7.484 1.00 0.00 C ATOM 154 OE1 GLU A 524 -11.981 -6.599 -8.654 1.00 0.00 O ATOM 155 OE2 GLU A 524 -13.197 -6.932 -6.862 1.00 0.00 O ATOM 0 H GLU A 524 -8.200 -7.292 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.145 -5.197 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -9.176 -7.163 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.519 -6.064 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.365 -8.244 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.275 -8.329 -6.022 1.00 0.00 H new ATOM 162 N VAL A 525 -7.327 -4.723 -6.167 1.00 0.00 N ATOM 163 CA VAL A 525 -6.527 -3.733 -5.443 1.00 0.00 C ATOM 164 C VAL A 525 -6.309 -2.470 -6.283 1.00 0.00 C ATOM 165 O VAL A 525 -6.186 -1.367 -5.746 1.00 0.00 O ATOM 166 CB VAL A 525 -5.160 -4.317 -5.008 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.299 -3.262 -4.328 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.363 -5.507 -4.082 1.00 0.00 C ATOM 0 H VAL A 525 -6.810 -5.555 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.089 -3.464 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.638 -4.651 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.347 -3.703 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.120 -2.438 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.813 -2.888 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.393 -5.906 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.911 -5.189 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.930 -6.280 -4.601 1.00 0.00 H new ATOM 178 N ARG A 526 -6.272 -2.626 -7.601 1.00 0.00 N ATOM 179 CA ARG A 526 -6.125 -1.476 -8.489 1.00 0.00 C ATOM 180 C ARG A 526 -7.472 -0.817 -8.740 1.00 0.00 C ATOM 181 O ARG A 526 -7.534 0.299 -9.245 1.00 0.00 O ATOM 182 CB ARG A 526 -5.467 -1.862 -9.819 1.00 0.00 C ATOM 183 CG ARG A 526 -6.205 -2.935 -10.594 1.00 0.00 C ATOM 184 CD ARG A 526 -5.393 -3.419 -11.784 1.00 0.00 C ATOM 185 NE ARG A 526 -5.060 -2.337 -12.712 1.00 0.00 N ATOM 186 CZ ARG A 526 -4.015 -2.364 -13.539 1.00 0.00 C ATOM 187 NH1 ARG A 526 -3.190 -3.406 -13.539 1.00 0.00 N ATOM 188 NH2 ARG A 526 -3.793 -1.347 -14.364 1.00 0.00 N ATOM 0 H ARG A 526 -6.341 -3.526 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.469 -0.763 -7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.386 -0.971 -10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.452 -2.207 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.424 -3.775 -9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -7.162 -2.543 -10.940 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.474 -3.884 -11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.954 -4.188 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.663 -1.514 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.356 -4.188 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -2.391 -3.424 -14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -4.422 -0.544 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -2.993 -1.369 -14.996 1.00 0.00 H new ATOM 202 N LEU A 527 -8.546 -1.523 -8.399 1.00 0.00 N ATOM 203 CA LEU A 527 -9.908 -1.026 -8.582 1.00 0.00 C ATOM 204 C LEU A 527 -10.091 0.366 -7.948 1.00 0.00 C ATOM 205 O LEU A 527 -10.595 1.276 -8.606 1.00 0.00 O ATOM 206 CB LEU A 527 -10.900 -2.040 -7.987 1.00 0.00 C ATOM 207 CG LEU A 527 -12.157 -2.339 -8.808 1.00 0.00 C ATOM 208 CD1 LEU A 527 -13.070 -1.131 -8.852 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.790 -2.790 -10.213 1.00 0.00 C ATOM 0 H LEU A 527 -8.498 -2.455 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 527 -10.102 -0.915 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.370 -2.978 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.212 -1.676 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.694 -3.153 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.957 -1.366 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.368 -0.863 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.543 -0.293 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.699 -2.997 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -11.224 -2.003 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -11.183 -3.694 -10.158 1.00 0.00 H new ATOM 221 N PRO A 528 -9.678 0.572 -6.674 1.00 0.00 N ATOM 222 CA PRO A 528 -9.750 1.891 -6.032 1.00 0.00 C ATOM 223 C PRO A 528 -8.962 2.948 -6.798 1.00 0.00 C ATOM 224 O PRO A 528 -9.381 4.106 -6.894 1.00 0.00 O ATOM 225 CB PRO A 528 -9.122 1.665 -4.654 1.00 0.00 C ATOM 226 CG PRO A 528 -9.237 0.204 -4.410 1.00 0.00 C ATOM 227 CD PRO A 528 -9.135 -0.446 -5.753 1.00 0.00 C ATOM 0 HA PRO A 528 -10.774 2.261 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -8.081 1.986 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.643 2.235 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.446 -0.145 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -10.185 -0.038 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.104 -0.699 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.709 -1.372 -5.795 1.00 0.00 H new ATOM 235 N LEU A 529 -7.837 2.531 -7.367 1.00 0.00 N ATOM 236 CA LEU A 529 -6.953 3.434 -8.096 1.00 0.00 C ATOM 237 C LEU A 529 -7.640 3.965 -9.349 1.00 0.00 C ATOM 238 O LEU A 529 -7.262 5.010 -9.885 1.00 0.00 O ATOM 239 CB LEU A 529 -5.661 2.711 -8.492 1.00 0.00 C ATOM 240 CG LEU A 529 -4.931 1.993 -7.354 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.673 1.317 -7.873 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.589 2.964 -6.239 1.00 0.00 C ATOM 0 H LEU A 529 -7.513 1.564 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.712 4.271 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.897 1.981 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.980 3.438 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.595 1.228 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -3.166 0.811 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.941 0.588 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.008 2.066 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -4.071 2.433 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.945 3.753 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.505 3.405 -5.846 1.00 0.00 H new ATOM 254 N GLN A 530 -8.653 3.240 -9.807 1.00 0.00 N ATOM 255 CA GLN A 530 -9.382 3.609 -11.011 1.00 0.00 C ATOM 256 C GLN A 530 -10.468 4.630 -10.688 1.00 0.00 C ATOM 257 O GLN A 530 -10.943 5.347 -11.567 1.00 0.00 O ATOM 258 CB GLN A 530 -10.028 2.373 -11.645 1.00 0.00 C ATOM 259 CG GLN A 530 -9.116 1.157 -11.705 1.00 0.00 C ATOM 260 CD GLN A 530 -9.777 -0.036 -12.364 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.630 0.110 -13.239 1.00 0.00 O ATOM 262 NE2 GLN A 530 -9.394 -1.227 -11.941 1.00 0.00 N ATOM 0 H GLN A 530 -8.989 2.388 -9.358 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.672 4.048 -11.712 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.924 2.114 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.350 2.623 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -8.210 1.414 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.811 0.886 -10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -8.684 -1.306 -11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.809 -2.068 -12.342 1.00 0.00 H new ATOM 271 N HIS A 531 -10.857 4.692 -9.419 1.00 0.00 N ATOM 272 CA HIS A 531 -11.975 5.536 -9.008 1.00 0.00 C ATOM 273 C HIS A 531 -11.511 6.825 -8.341 1.00 0.00 C ATOM 274 O HIS A 531 -12.257 7.800 -8.285 1.00 0.00 O ATOM 275 CB HIS A 531 -12.915 4.760 -8.082 1.00 0.00 C ATOM 276 CG HIS A 531 -13.709 3.718 -8.805 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.891 4.026 -9.429 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.435 2.408 -8.999 1.00 0.00 C ATOM 279 CE1 HIS A 531 -15.306 2.904 -9.992 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.456 1.895 -9.759 1.00 0.00 N ATOM 0 H HIS A 531 -10.418 4.171 -8.660 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.516 5.820 -9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.331 4.284 -7.294 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.597 5.458 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.577 1.869 -8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -16.215 2.812 -10.567 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.550 0.933 -10.083 1.00 0.00 H new ATOM 288 N GLY A 532 -10.293 6.833 -7.823 1.00 0.00 N ATOM 289 CA GLY A 532 -9.756 8.055 -7.257 1.00 0.00 C ATOM 290 C GLY A 532 -8.814 7.799 -6.106 1.00 0.00 C ATOM 291 O GLY A 532 -7.948 8.623 -5.812 1.00 0.00 O ATOM 0 H GLY A 532 -9.671 6.025 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.231 8.610 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.578 8.684 -6.915 1.00 0.00 H new ATOM 295 N TRP A 533 -8.992 6.663 -5.443 1.00 0.00 N ATOM 296 CA TRP A 533 -8.100 6.263 -4.363 1.00 0.00 C ATOM 297 C TRP A 533 -6.682 6.077 -4.879 1.00 0.00 C ATOM 298 O TRP A 533 -6.468 5.844 -6.072 1.00 0.00 O ATOM 299 CB TRP A 533 -8.570 4.952 -3.739 1.00 0.00 C ATOM 300 CG TRP A 533 -9.888 5.048 -3.044 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.123 5.102 -3.621 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.099 5.079 -1.633 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.089 5.186 -2.651 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.486 5.164 -1.420 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.245 5.044 -0.527 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.038 5.214 -0.144 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.794 5.091 0.737 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.178 5.174 0.920 1.00 0.00 C ATOM 0 H TRP A 533 -9.746 6.003 -5.634 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.114 7.053 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.637 4.194 -4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.819 4.611 -3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.312 5.082 -4.684 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.093 5.254 -2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.175 4.981 -0.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.106 5.282 0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.145 5.063 1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.577 5.207 1.923 1.00 0.00 H new ATOM 319 N ARG A 534 -5.716 6.176 -3.985 1.00 0.00 N ATOM 320 CA ARG A 534 -4.332 5.899 -4.325 1.00 0.00 C ATOM 321 C ARG A 534 -3.759 4.934 -3.308 1.00 0.00 C ATOM 322 O ARG A 534 -4.298 4.801 -2.208 1.00 0.00 O ATOM 323 CB ARG A 534 -3.491 7.173 -4.321 1.00 0.00 C ATOM 324 CG ARG A 534 -3.952 8.231 -5.299 1.00 0.00 C ATOM 325 CD ARG A 534 -3.038 9.437 -5.243 1.00 0.00 C ATOM 326 NE ARG A 534 -3.552 10.554 -6.028 1.00 0.00 N ATOM 327 CZ ARG A 534 -3.547 11.820 -5.611 1.00 0.00 C ATOM 328 NH1 ARG A 534 -3.032 12.134 -4.426 1.00 0.00 N ATOM 329 NH2 ARG A 534 -4.054 12.773 -6.381 1.00 0.00 N ATOM 0 H ARG A 534 -5.865 6.447 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.305 5.471 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.500 7.596 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.457 6.912 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -3.962 7.821 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -4.974 8.530 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.915 9.750 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -2.050 9.160 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 534 -3.938 10.354 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -2.638 11.405 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -3.031 13.104 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -4.448 12.537 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -4.050 13.742 -6.062 1.00 0.00 H new ATOM 343 N ARG A 535 -2.669 4.279 -3.660 1.00 0.00 N ATOM 344 CA ARG A 535 -2.003 3.400 -2.723 1.00 0.00 C ATOM 345 C ARG A 535 -0.501 3.476 -2.916 1.00 0.00 C ATOM 346 O ARG A 535 0.015 3.134 -3.978 1.00 0.00 O ATOM 347 CB ARG A 535 -2.471 1.969 -2.959 1.00 0.00 C ATOM 348 CG ARG A 535 -1.921 0.966 -1.968 1.00 0.00 C ATOM 349 CD ARG A 535 -1.575 -0.333 -2.659 1.00 0.00 C ATOM 350 NE ARG A 535 -1.591 -1.472 -1.748 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.768 -2.513 -1.842 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.106 -2.591 -2.838 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.838 -3.481 -0.943 1.00 0.00 N ATOM 0 H ARG A 535 -2.231 4.339 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.247 3.708 -1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.560 1.943 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.182 1.665 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.033 1.374 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.655 0.782 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.283 -0.510 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.587 -0.248 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.276 -1.470 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.150 -1.850 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.734 -3.392 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.519 -3.425 -0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.211 -4.283 -1.007 1.00 0.00 H new ATOM 367 N GLU A 536 0.195 3.907 -1.889 1.00 0.00 N ATOM 368 CA GLU A 536 1.633 4.043 -1.939 1.00 0.00 C ATOM 369 C GLU A 536 2.261 3.091 -0.941 1.00 0.00 C ATOM 370 O GLU A 536 1.774 2.952 0.170 1.00 0.00 O ATOM 371 CB GLU A 536 2.023 5.488 -1.636 1.00 0.00 C ATOM 372 CG GLU A 536 1.581 6.447 -2.726 1.00 0.00 C ATOM 373 CD GLU A 536 1.886 7.896 -2.412 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.663 8.162 -1.470 1.00 0.00 O ATOM 375 OE2 GLU A 536 1.336 8.779 -3.103 1.00 0.00 O ATOM 0 H GLU A 536 -0.219 4.173 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 536 1.997 3.793 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.579 5.790 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.104 5.552 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.072 6.174 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.508 6.335 -2.885 1.00 0.00 H new ATOM 382 N VAL A 537 3.326 2.427 -1.330 1.00 0.00 N ATOM 383 CA VAL A 537 3.963 1.467 -0.450 1.00 0.00 C ATOM 384 C VAL A 537 5.375 1.913 -0.141 1.00 0.00 C ATOM 385 O VAL A 537 6.195 2.093 -1.039 1.00 0.00 O ATOM 386 CB VAL A 537 3.989 0.051 -1.067 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.644 -0.945 -0.120 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.582 -0.406 -1.423 1.00 0.00 C ATOM 0 H VAL A 537 3.769 2.531 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 537 3.378 1.421 0.469 1.00 0.00 H new ATOM 0 HB VAL A 537 4.582 0.095 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.649 -1.934 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.669 -0.634 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.084 -0.981 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.623 -1.405 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 537 1.967 -0.425 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.147 0.285 -2.145 1.00 0.00 H new ATOM 398 N ARG A 538 5.643 2.098 1.129 1.00 0.00 N ATOM 399 CA ARG A 538 6.932 2.585 1.565 1.00 0.00 C ATOM 400 C ARG A 538 7.749 1.450 2.159 1.00 0.00 C ATOM 401 O ARG A 538 7.351 0.843 3.155 1.00 0.00 O ATOM 402 CB ARG A 538 6.750 3.712 2.581 1.00 0.00 C ATOM 403 CG ARG A 538 6.026 4.924 2.017 1.00 0.00 C ATOM 404 CD ARG A 538 5.893 6.028 3.051 1.00 0.00 C ATOM 405 NE ARG A 538 5.188 7.192 2.520 1.00 0.00 N ATOM 406 CZ ARG A 538 4.888 8.271 3.239 1.00 0.00 C ATOM 407 NH1 ARG A 538 5.251 8.345 4.512 1.00 0.00 N ATOM 408 NH2 ARG A 538 4.228 9.279 2.684 1.00 0.00 N ATOM 0 H ARG A 538 4.982 1.918 1.884 1.00 0.00 H new ATOM 0 HA ARG A 538 7.472 2.980 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.193 3.332 3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.729 4.021 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.568 5.301 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.036 4.628 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.359 5.647 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.884 6.328 3.391 1.00 0.00 H new ATOM 0 HE ARG A 538 4.909 7.177 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.761 7.574 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 538 5.020 9.173 5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 538 3.949 9.228 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.999 10.105 3.237 1.00 0.00 H new ATOM 422 N ILE A 539 8.887 1.160 1.546 1.00 0.00 N ATOM 423 CA ILE A 539 9.748 0.101 2.032 1.00 0.00 C ATOM 424 C ILE A 539 11.034 0.688 2.596 1.00 0.00 C ATOM 425 O ILE A 539 11.758 1.418 1.916 1.00 0.00 O ATOM 426 CB ILE A 539 10.089 -0.892 0.912 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.805 -1.348 0.215 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.849 -2.085 1.474 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.032 -2.347 -0.895 1.00 0.00 C ATOM 0 H ILE A 539 9.231 1.642 0.716 1.00 0.00 H new ATOM 0 HA ILE A 539 9.213 -0.431 2.818 1.00 0.00 H new ATOM 0 HB ILE A 539 10.728 -0.397 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.138 -1.789 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.296 -0.475 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.083 -2.780 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.774 -1.742 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.235 -2.589 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.075 -2.621 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.673 -1.904 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.512 -3.238 -0.490 1.00 0.00 H new ATOM 441 N LYS A 540 11.295 0.368 3.845 1.00 0.00 N ATOM 442 CA LYS A 540 12.463 0.881 4.535 1.00 0.00 C ATOM 443 C LYS A 540 13.254 -0.225 5.213 1.00 0.00 C ATOM 444 O LYS A 540 12.692 -1.202 5.716 1.00 0.00 O ATOM 445 CB LYS A 540 12.046 1.950 5.547 1.00 0.00 C ATOM 446 CG LYS A 540 10.985 1.488 6.532 1.00 0.00 C ATOM 447 CD LYS A 540 10.371 2.662 7.279 1.00 0.00 C ATOM 448 CE LYS A 540 11.404 3.437 8.082 1.00 0.00 C ATOM 449 NZ LYS A 540 10.799 4.602 8.775 1.00 0.00 N ATOM 0 H LYS A 540 10.710 -0.249 4.408 1.00 0.00 H new ATOM 0 HA LYS A 540 13.119 1.332 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.927 2.273 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.672 2.820 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.204 0.945 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.427 0.792 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.890 3.332 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 540 9.592 2.297 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.865 2.776 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 540 12.198 3.780 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 11.533 5.106 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 10.381 5.245 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 10.058 4.272 9.426 1.00 0.00 H new ATOM 463 N LYS A 541 14.564 -0.059 5.208 1.00 0.00 N ATOM 464 CA LYS A 541 15.443 -1.019 5.845 1.00 0.00 C ATOM 465 C LYS A 541 15.497 -0.741 7.339 1.00 0.00 C ATOM 466 O LYS A 541 15.774 0.384 7.760 1.00 0.00 O ATOM 467 CB LYS A 541 16.849 -0.936 5.243 1.00 0.00 C ATOM 468 CG LYS A 541 17.894 -1.729 6.013 1.00 0.00 C ATOM 469 CD LYS A 541 17.640 -3.223 5.943 1.00 0.00 C ATOM 470 CE LYS A 541 18.603 -3.996 6.828 1.00 0.00 C ATOM 471 NZ LYS A 541 20.022 -3.723 6.480 1.00 0.00 N ATOM 0 H LYS A 541 15.041 0.730 4.771 1.00 0.00 H new ATOM 0 HA LYS A 541 15.055 -2.024 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.816 -1.298 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.156 0.109 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.883 -1.510 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.896 -1.410 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.615 -3.433 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.741 -3.562 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.428 -3.732 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.405 -5.064 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.637 -4.401 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.152 -3.821 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.271 -2.756 6.770 1.00 0.00 H new ATOM 485 N GLY A 542 15.231 -1.760 8.132 1.00 0.00 N ATOM 486 CA GLY A 542 15.221 -1.589 9.564 1.00 0.00 C ATOM 487 C GLY A 542 16.488 -2.106 10.208 1.00 0.00 C ATOM 488 O GLY A 542 17.278 -2.797 9.566 1.00 0.00 O ATOM 0 H GLY A 542 15.021 -2.705 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 542 15.099 -0.532 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 542 14.362 -2.111 9.985 1.00 0.00 H new ATOM 492 N SER A 543 16.678 -1.774 11.476 1.00 0.00 N ATOM 493 CA SER A 543 17.854 -2.207 12.214 1.00 0.00 C ATOM 494 C SER A 543 17.768 -3.697 12.520 1.00 0.00 C ATOM 495 O SER A 543 18.762 -4.331 12.875 1.00 0.00 O ATOM 496 CB SER A 543 17.981 -1.412 13.515 1.00 0.00 C ATOM 497 OG SER A 543 19.259 -1.584 14.103 1.00 0.00 O ATOM 0 H SER A 543 16.029 -1.203 12.017 1.00 0.00 H new ATOM 0 HA SER A 543 18.736 -2.026 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 543 17.810 -0.354 13.315 1.00 0.00 H new ATOM 0 HB3 SER A 543 17.210 -1.732 14.216 1.00 0.00 H new ATOM 0 HG SER A 543 19.311 -1.063 14.931 1.00 0.00 H new ATOM 503 N HIS A 544 16.571 -4.249 12.395 1.00 0.00 N ATOM 504 CA HIS A 544 16.352 -5.655 12.681 1.00 0.00 C ATOM 505 C HIS A 544 16.092 -6.428 11.398 1.00 0.00 C ATOM 506 O HIS A 544 16.719 -7.457 11.144 1.00 0.00 O ATOM 507 CB HIS A 544 15.178 -5.825 13.649 1.00 0.00 C ATOM 508 CG HIS A 544 15.336 -5.033 14.910 1.00 0.00 C ATOM 509 ND1 HIS A 544 16.141 -5.468 15.932 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.807 -3.830 15.243 1.00 0.00 C ATOM 511 CE1 HIS A 544 16.090 -4.524 16.856 1.00 0.00 C ATOM 512 NE2 HIS A 544 15.294 -3.512 16.484 1.00 0.00 N ATOM 0 H HIS A 544 15.737 -3.743 12.097 1.00 0.00 H new ATOM 0 HA HIS A 544 17.252 -6.054 13.148 1.00 0.00 H new ATOM 0 HB2 HIS A 544 14.257 -5.523 13.150 1.00 0.00 H new ATOM 0 HB3 HIS A 544 15.072 -6.880 13.901 1.00 0.00 H new ATOM 0 HD2 HIS A 544 14.131 -3.236 14.645 1.00 0.00 H new ATOM 0 HE1 HIS A 544 16.624 -4.563 17.794 1.00 0.00 H new ATOM 0 HE2 HIS A 544 15.090 -2.669 17.020 1.00 0.00 H new ATOM 520 N ARG A 545 15.182 -5.919 10.578 1.00 0.00 N ATOM 521 CA ARG A 545 14.774 -6.625 9.372 1.00 0.00 C ATOM 522 C ARG A 545 14.308 -5.667 8.286 1.00 0.00 C ATOM 523 O ARG A 545 14.255 -4.453 8.479 1.00 0.00 O ATOM 524 CB ARG A 545 13.638 -7.598 9.688 1.00 0.00 C ATOM 525 CG ARG A 545 12.443 -6.928 10.347 1.00 0.00 C ATOM 526 CD ARG A 545 11.197 -7.789 10.255 1.00 0.00 C ATOM 527 NE ARG A 545 10.715 -7.902 8.879 1.00 0.00 N ATOM 528 CZ ARG A 545 9.656 -8.620 8.515 1.00 0.00 C ATOM 529 NH1 ARG A 545 8.984 -9.330 9.413 1.00 0.00 N ATOM 530 NH2 ARG A 545 9.274 -8.632 7.245 1.00 0.00 N ATOM 0 H ARG A 545 14.715 -5.024 10.725 1.00 0.00 H new ATOM 0 HA ARG A 545 15.646 -7.167 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.314 -8.080 8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 545 14.013 -8.384 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 545 12.670 -6.727 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 545 12.257 -5.966 9.870 1.00 0.00 H new ATOM 0 HD2 ARG A 545 11.412 -8.783 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 545 10.413 -7.362 10.881 1.00 0.00 H new ATOM 0 HE ARG A 545 11.223 -7.398 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 545 9.279 -9.327 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 545 8.173 -9.878 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 545 9.792 -8.092 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 545 8.463 -9.181 6.962 1.00 0.00 H new ATOM 544 N TRP A 546 13.975 -6.244 7.146 1.00 0.00 N ATOM 545 CA TRP A 546 13.383 -5.485 6.060 1.00 0.00 C ATOM 546 C TRP A 546 11.883 -5.394 6.268 1.00 0.00 C ATOM 547 O TRP A 546 11.208 -6.415 6.431 1.00 0.00 O ATOM 548 CB TRP A 546 13.687 -6.124 4.710 1.00 0.00 C ATOM 549 CG TRP A 546 15.013 -5.718 4.163 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.214 -6.319 4.390 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.271 -4.604 3.303 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.205 -5.648 3.719 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.651 -4.592 3.043 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.466 -3.615 2.726 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.248 -3.630 2.231 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.058 -2.661 1.920 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.438 -2.674 1.680 1.00 0.00 C ATOM 0 H TRP A 546 14.105 -7.236 6.948 1.00 0.00 H new ATOM 0 HA TRP A 546 13.815 -4.484 6.060 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.658 -7.209 4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.907 -5.850 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.364 -7.193 5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.195 -5.895 3.723 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.401 -3.598 2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.311 -3.638 2.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.447 -1.894 1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 546 16.872 -1.914 1.047 1.00 0.00 H new ATOM 568 N GLN A 547 11.364 -4.179 6.287 1.00 0.00 N ATOM 569 CA GLN A 547 9.941 -3.980 6.469 1.00 0.00 C ATOM 570 C GLN A 547 9.370 -3.059 5.401 1.00 0.00 C ATOM 571 O GLN A 547 10.097 -2.345 4.710 1.00 0.00 O ATOM 572 CB GLN A 547 9.647 -3.409 7.857 1.00 0.00 C ATOM 573 CG GLN A 547 10.035 -1.949 8.012 1.00 0.00 C ATOM 574 CD GLN A 547 9.579 -1.357 9.329 1.00 0.00 C ATOM 575 OE1 GLN A 547 9.526 -2.039 10.352 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.207 -0.091 9.301 1.00 0.00 N ATOM 0 H GLN A 547 11.905 -3.321 6.179 1.00 0.00 H new ATOM 0 HA GLN A 547 9.461 -4.954 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.583 -3.517 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 547 10.180 -3.998 8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.118 -1.855 7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.604 -1.374 7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 547 9.267 0.439 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.860 0.357 10.149 1.00 0.00 H new ATOM 585 N GLY A 548 8.061 -3.084 5.296 1.00 0.00 N ATOM 586 CA GLY A 548 7.364 -2.264 4.339 1.00 0.00 C ATOM 587 C GLY A 548 5.960 -1.989 4.801 1.00 0.00 C ATOM 588 O GLY A 548 5.375 -2.801 5.523 1.00 0.00 O ATOM 0 H GLY A 548 7.455 -3.671 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.898 -1.324 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.343 -2.764 3.371 1.00 0.00 H new ATOM 592 N GLU A 549 5.413 -0.861 4.401 1.00 0.00 N ATOM 593 CA GLU A 549 4.073 -0.501 4.807 1.00 0.00 C ATOM 594 C GLU A 549 3.303 0.097 3.648 1.00 0.00 C ATOM 595 O GLU A 549 3.863 0.748 2.764 1.00 0.00 O ATOM 596 CB GLU A 549 4.099 0.463 5.993 1.00 0.00 C ATOM 597 CG GLU A 549 4.632 1.835 5.649 1.00 0.00 C ATOM 598 CD GLU A 549 4.918 2.672 6.880 1.00 0.00 C ATOM 599 OE1 GLU A 549 3.975 3.288 7.418 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.087 2.724 7.315 1.00 0.00 O ATOM 0 H GLU A 549 5.874 -0.180 3.797 1.00 0.00 H new ATOM 0 HA GLU A 549 3.563 -1.411 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.089 0.564 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.711 0.033 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.546 1.730 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.909 2.355 5.020 1.00 0.00 H new ATOM 607 N THR A 550 2.020 -0.143 3.675 1.00 0.00 N ATOM 608 CA THR A 550 1.147 0.286 2.604 1.00 0.00 C ATOM 609 C THR A 550 0.287 1.463 3.035 1.00 0.00 C ATOM 610 O THR A 550 -0.370 1.426 4.074 1.00 0.00 O ATOM 611 CB THR A 550 0.250 -0.856 2.122 1.00 0.00 C ATOM 612 OG1 THR A 550 1.048 -1.915 1.577 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.732 -0.355 1.082 1.00 0.00 C ATOM 0 H THR A 550 1.548 -0.638 4.432 1.00 0.00 H new ATOM 0 HA THR A 550 1.786 0.599 1.778 1.00 0.00 H new ATOM 0 HB THR A 550 -0.311 -1.240 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.044 -2.678 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.362 -1.180 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.356 0.426 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.185 0.050 0.230 1.00 0.00 H new ATOM 621 N TRP A 551 0.349 2.519 2.256 1.00 0.00 N ATOM 622 CA TRP A 551 -0.390 3.724 2.543 1.00 0.00 C ATOM 623 C TRP A 551 -1.511 3.916 1.524 1.00 0.00 C ATOM 624 O TRP A 551 -1.399 3.524 0.363 1.00 0.00 O ATOM 625 CB TRP A 551 0.541 4.932 2.537 1.00 0.00 C ATOM 626 CG TRP A 551 1.322 5.076 3.805 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.010 4.100 4.462 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.495 6.271 4.567 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.586 4.614 5.596 1.00 0.00 N ATOM 630 CE2 TRP A 551 2.290 5.948 5.679 1.00 0.00 C ATOM 631 CE3 TRP A 551 1.052 7.582 4.415 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.651 6.892 6.636 1.00 0.00 C ATOM 633 CZ3 TRP A 551 1.411 8.522 5.363 1.00 0.00 C ATOM 634 CH2 TRP A 551 2.203 8.173 6.462 1.00 0.00 C ATOM 0 H TRP A 551 0.913 2.565 1.407 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.833 3.630 3.535 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.233 4.846 1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.047 5.836 2.374 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.090 3.073 4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.144 4.088 6.268 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.438 7.860 3.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 3.262 6.623 7.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 1.075 9.542 5.253 1.00 0.00 H new ATOM 0 HH2 TRP A 551 2.466 8.929 7.187 1.00 0.00 H new ATOM 645 N TYR A 552 -2.585 4.513 1.994 1.00 0.00 N ATOM 646 CA TYR A 552 -3.739 4.803 1.154 1.00 0.00 C ATOM 647 C TYR A 552 -4.207 6.225 1.380 1.00 0.00 C ATOM 648 O TYR A 552 -3.986 6.800 2.444 1.00 0.00 O ATOM 649 CB TYR A 552 -4.894 3.837 1.448 1.00 0.00 C ATOM 650 CG TYR A 552 -4.899 2.552 0.636 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.160 1.442 1.028 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.681 2.441 -0.508 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.198 0.268 0.305 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.726 1.265 -1.233 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.985 0.182 -0.822 1.00 0.00 C ATOM 656 OH TYR A 552 -5.024 -0.992 -1.540 1.00 0.00 O ATOM 0 H TYR A 552 -2.688 4.812 2.964 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.434 4.678 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.866 3.577 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.834 4.360 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.545 1.500 1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.264 3.289 -0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.612 -0.582 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.341 1.197 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.627 -0.888 -2.305 1.00 0.00 H new ATOM 666 N TYR A 553 -4.850 6.798 0.382 1.00 0.00 N ATOM 667 CA TYR A 553 -5.349 8.156 0.475 1.00 0.00 C ATOM 668 C TYR A 553 -6.758 8.221 -0.082 1.00 0.00 C ATOM 669 O TYR A 553 -7.034 7.663 -1.148 1.00 0.00 O ATOM 670 CB TYR A 553 -4.439 9.104 -0.318 1.00 0.00 C ATOM 671 CG TYR A 553 -2.965 8.918 -0.023 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.218 7.971 -0.712 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.326 9.675 0.949 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.879 7.781 -0.442 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.981 9.490 1.222 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.264 8.543 0.524 1.00 0.00 C ATOM 677 OH TYR A 553 1.074 8.354 0.795 1.00 0.00 O ATOM 0 H TYR A 553 -5.040 6.340 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.358 8.461 1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.610 8.951 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.718 10.134 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.695 7.372 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.885 10.418 1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.316 7.037 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.495 10.087 1.980 1.00 0.00 H new ATOM 0 HH TYR A 553 1.589 8.422 -0.036 1.00 0.00 H new ATOM 687 N GLY A 554 -7.647 8.875 0.647 1.00 0.00 N ATOM 688 CA GLY A 554 -8.992 9.078 0.161 1.00 0.00 C ATOM 689 C GLY A 554 -8.999 9.909 -1.100 1.00 0.00 C ATOM 690 O GLY A 554 -8.208 10.848 -1.223 1.00 0.00 O ATOM 0 H GLY A 554 -7.460 9.269 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.460 8.113 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.588 9.572 0.928 1.00 0.00 H new ATOM 694 N PRO A 555 -9.875 9.577 -2.061 1.00 0.00 N ATOM 695 CA PRO A 555 -9.945 10.264 -3.352 1.00 0.00 C ATOM 696 C PRO A 555 -10.112 11.768 -3.205 1.00 0.00 C ATOM 697 O PRO A 555 -9.685 12.542 -4.059 1.00 0.00 O ATOM 698 CB PRO A 555 -11.167 9.643 -4.044 1.00 0.00 C ATOM 699 CG PRO A 555 -11.881 8.858 -2.993 1.00 0.00 C ATOM 700 CD PRO A 555 -10.850 8.488 -1.968 1.00 0.00 C ATOM 0 HA PRO A 555 -9.023 10.140 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.814 10.415 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -10.863 9.001 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.681 9.447 -2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -12.342 7.967 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.282 8.419 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.395 7.522 -2.186 1.00 0.00 H new ATOM 708 N CYS A 556 -10.743 12.169 -2.121 1.00 0.00 N ATOM 709 CA CYS A 556 -10.858 13.575 -1.782 1.00 0.00 C ATOM 710 C CYS A 556 -10.764 13.779 -0.273 1.00 0.00 C ATOM 711 O CYS A 556 -10.393 14.857 0.195 1.00 0.00 O ATOM 712 CB CYS A 556 -12.179 14.130 -2.317 1.00 0.00 C ATOM 713 SG CYS A 556 -13.608 13.069 -1.989 1.00 0.00 S ATOM 0 H CYS A 556 -11.187 11.537 -1.455 1.00 0.00 H new ATOM 0 HA CYS A 556 -10.032 14.115 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.357 15.109 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.090 14.280 -3.393 1.00 0.00 H new ATOM 0 HG CYS A 556 -14.679 13.621 -2.476 1.00 0.00 H new ATOM 719 N GLY A 557 -11.108 12.743 0.487 1.00 0.00 N ATOM 720 CA GLY A 557 -11.071 12.845 1.934 1.00 0.00 C ATOM 721 C GLY A 557 -9.679 12.682 2.526 1.00 0.00 C ATOM 722 O GLY A 557 -8.679 13.068 1.917 1.00 0.00 O ATOM 0 H GLY A 557 -11.411 11.838 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.471 13.815 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.728 12.086 2.359 1.00 0.00 H new ATOM 726 N LYS A 558 -9.629 12.107 3.720 1.00 0.00 N ATOM 727 CA LYS A 558 -8.377 11.983 4.464 1.00 0.00 C ATOM 728 C LYS A 558 -7.551 10.784 4.001 1.00 0.00 C ATOM 729 O LYS A 558 -7.931 10.067 3.076 1.00 0.00 O ATOM 730 CB LYS A 558 -8.631 11.894 5.978 1.00 0.00 C ATOM 731 CG LYS A 558 -9.225 10.577 6.459 1.00 0.00 C ATOM 732 CD LYS A 558 -10.718 10.499 6.214 1.00 0.00 C ATOM 733 CE LYS A 558 -11.351 9.399 7.046 1.00 0.00 C ATOM 734 NZ LYS A 558 -11.319 9.720 8.495 1.00 0.00 N ATOM 0 H LYS A 558 -10.442 11.717 4.197 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.803 12.887 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.688 12.061 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.302 12.703 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.731 9.750 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.027 10.459 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.180 11.456 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.907 10.314 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -12.383 9.251 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -10.825 8.461 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -12.043 9.161 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -10.381 9.491 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -11.511 10.733 8.630 1.00 0.00 H new ATOM 748 N ARG A 559 -6.426 10.577 4.666 1.00 0.00 N ATOM 749 CA ARG A 559 -5.505 9.508 4.338 1.00 0.00 C ATOM 750 C ARG A 559 -5.522 8.432 5.417 1.00 0.00 C ATOM 751 O ARG A 559 -5.474 8.739 6.610 1.00 0.00 O ATOM 752 CB ARG A 559 -4.110 10.102 4.221 1.00 0.00 C ATOM 753 CG ARG A 559 -2.989 9.088 4.222 1.00 0.00 C ATOM 754 CD ARG A 559 -1.670 9.766 4.514 1.00 0.00 C ATOM 755 NE ARG A 559 -1.565 10.181 5.912 1.00 0.00 N ATOM 756 CZ ARG A 559 -0.797 11.182 6.337 1.00 0.00 C ATOM 757 NH1 ARG A 559 -0.110 11.915 5.468 1.00 0.00 N ATOM 758 NH2 ARG A 559 -0.728 11.458 7.633 1.00 0.00 N ATOM 0 H ARG A 559 -6.127 11.152 5.454 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.802 9.044 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -4.054 10.684 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -3.955 10.796 5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.185 8.320 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.942 8.587 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -0.852 9.086 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -1.559 10.637 3.868 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.114 9.672 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -0.170 11.712 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 559 0.477 12.681 5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -1.263 10.904 8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -0.140 12.224 7.961 1.00 0.00 H new ATOM 772 N MET A 560 -5.600 7.180 5.000 1.00 0.00 N ATOM 773 CA MET A 560 -5.576 6.068 5.932 1.00 0.00 C ATOM 774 C MET A 560 -4.497 5.071 5.534 1.00 0.00 C ATOM 775 O MET A 560 -4.248 4.856 4.355 1.00 0.00 O ATOM 776 CB MET A 560 -6.938 5.366 5.989 1.00 0.00 C ATOM 777 CG MET A 560 -8.088 6.249 6.468 1.00 0.00 C ATOM 778 SD MET A 560 -8.633 7.460 5.244 1.00 0.00 S ATOM 779 CE MET A 560 -8.911 6.413 3.819 1.00 0.00 C ATOM 0 H MET A 560 -5.681 6.909 4.020 1.00 0.00 H new ATOM 0 HA MET A 560 -5.352 6.464 6.922 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.178 4.986 4.996 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.860 4.503 6.650 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.932 5.615 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.779 6.773 7.372 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.713 6.831 3.211 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.998 6.356 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.191 5.413 4.151 1.00 0.00 H new ATOM 789 N LYS A 561 -3.865 4.461 6.517 1.00 0.00 N ATOM 790 CA LYS A 561 -2.860 3.447 6.253 1.00 0.00 C ATOM 791 C LYS A 561 -3.028 2.286 7.230 1.00 0.00 C ATOM 792 O LYS A 561 -2.175 1.403 7.343 1.00 0.00 O ATOM 793 CB LYS A 561 -1.443 4.042 6.292 1.00 0.00 C ATOM 794 CG LYS A 561 -1.063 4.765 7.582 1.00 0.00 C ATOM 795 CD LYS A 561 -0.665 3.799 8.686 1.00 0.00 C ATOM 796 CE LYS A 561 0.688 3.155 8.423 1.00 0.00 C ATOM 797 NZ LYS A 561 1.812 4.081 8.717 1.00 0.00 N ATOM 0 H LYS A 561 -4.029 4.649 7.506 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.002 3.060 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.727 3.238 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.339 4.741 5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.237 5.448 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.904 5.371 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.635 4.330 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.424 3.022 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.788 2.258 9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 561 0.742 2.838 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.715 3.603 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.732 4.926 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.776 4.364 9.717 1.00 0.00 H new ATOM 811 N GLN A 562 -4.156 2.306 7.921 1.00 0.00 N ATOM 812 CA GLN A 562 -4.539 1.237 8.824 1.00 0.00 C ATOM 813 C GLN A 562 -5.836 0.616 8.341 1.00 0.00 C ATOM 814 O GLN A 562 -6.701 1.312 7.808 1.00 0.00 O ATOM 815 CB GLN A 562 -4.731 1.771 10.242 1.00 0.00 C ATOM 816 CG GLN A 562 -3.493 2.409 10.845 1.00 0.00 C ATOM 817 CD GLN A 562 -2.368 1.420 11.100 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.191 1.772 11.027 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.713 0.179 11.410 1.00 0.00 N ATOM 0 H GLN A 562 -4.833 3.067 7.870 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.747 0.489 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.536 2.505 10.235 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.053 0.952 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.134 3.192 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.763 2.891 11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.699 -0.079 11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -1.993 -0.519 11.597 1.00 0.00 H new ATOM 828 N PHE A 563 -5.971 -0.684 8.536 1.00 0.00 N ATOM 829 CA PHE A 563 -7.184 -1.397 8.153 1.00 0.00 C ATOM 830 C PHE A 563 -8.424 -0.807 8.842 1.00 0.00 C ATOM 831 O PHE A 563 -9.408 -0.491 8.171 1.00 0.00 O ATOM 832 CB PHE A 563 -7.043 -2.888 8.474 1.00 0.00 C ATOM 833 CG PHE A 563 -8.185 -3.731 7.981 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.739 -3.512 6.729 1.00 0.00 C ATOM 835 CD2 PHE A 563 -8.691 -4.755 8.763 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.777 -4.297 6.271 1.00 0.00 C ATOM 837 CE2 PHE A 563 -9.733 -5.542 8.311 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.275 -5.314 7.063 1.00 0.00 C ATOM 0 H PHE A 563 -5.254 -1.273 8.959 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.320 -1.280 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.116 -3.257 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -6.955 -3.010 9.554 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.354 -2.719 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.266 -4.941 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.200 -4.117 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.122 -6.334 8.933 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.087 -5.929 6.706 1.00 0.00 H new ATOM 848 N PRO A 564 -8.397 -0.616 10.184 1.00 0.00 N ATOM 849 CA PRO A 564 -9.542 -0.070 10.926 1.00 0.00 C ATOM 850 C PRO A 564 -9.850 1.376 10.548 1.00 0.00 C ATOM 851 O PRO A 564 -10.910 1.898 10.883 1.00 0.00 O ATOM 852 CB PRO A 564 -9.102 -0.155 12.388 1.00 0.00 C ATOM 853 CG PRO A 564 -7.617 -0.153 12.328 1.00 0.00 C ATOM 854 CD PRO A 564 -7.269 -0.913 11.088 1.00 0.00 C ATOM 0 HA PRO A 564 -10.458 -0.621 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.477 0.690 12.966 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.479 -1.060 12.864 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.227 0.864 12.288 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.187 -0.625 13.212 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.319 -0.584 10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.179 -1.982 11.282 1.00 0.00 H new ATOM 862 N GLU A 565 -8.936 2.009 9.821 1.00 0.00 N ATOM 863 CA GLU A 565 -9.130 3.374 9.347 1.00 0.00 C ATOM 864 C GLU A 565 -9.847 3.392 8.001 1.00 0.00 C ATOM 865 O GLU A 565 -10.518 4.361 7.648 1.00 0.00 O ATOM 866 CB GLU A 565 -7.783 4.086 9.240 1.00 0.00 C ATOM 867 CG GLU A 565 -7.098 4.295 10.580 1.00 0.00 C ATOM 868 CD GLU A 565 -7.858 5.241 11.479 1.00 0.00 C ATOM 869 OE1 GLU A 565 -7.978 6.430 11.129 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.328 4.804 12.546 1.00 0.00 O ATOM 0 H GLU A 565 -8.046 1.594 9.545 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.756 3.900 10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.126 3.507 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.930 5.054 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -6.987 3.333 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.094 4.685 10.414 1.00 0.00 H new ATOM 877 N VAL A 566 -9.687 2.328 7.242 1.00 0.00 N ATOM 878 CA VAL A 566 -10.353 2.230 5.954 1.00 0.00 C ATOM 879 C VAL A 566 -11.824 1.858 6.139 1.00 0.00 C ATOM 880 O VAL A 566 -12.707 2.442 5.509 1.00 0.00 O ATOM 881 CB VAL A 566 -9.645 1.227 5.017 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.487 0.949 3.782 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.274 1.766 4.615 1.00 0.00 C ATOM 0 H VAL A 566 -9.108 1.525 7.488 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.299 3.209 5.479 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.514 0.288 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.966 0.240 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.447 0.529 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.653 1.879 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.782 1.052 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.395 2.717 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.665 1.914 5.507 1.00 0.00 H new ATOM 893 N ILE A 567 -12.077 0.907 7.036 1.00 0.00 N ATOM 894 CA ILE A 567 -13.442 0.441 7.320 1.00 0.00 C ATOM 895 C ILE A 567 -14.329 1.589 7.799 1.00 0.00 C ATOM 896 O ILE A 567 -15.529 1.627 7.521 1.00 0.00 O ATOM 897 CB ILE A 567 -13.465 -0.673 8.387 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.295 -1.632 8.184 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.784 -1.434 8.323 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.263 -2.261 6.811 1.00 0.00 C ATOM 0 H ILE A 567 -11.354 0.439 7.583 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.827 0.041 6.382 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.370 -0.213 9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.362 -1.094 8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.347 -2.420 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.789 -2.218 9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.610 -0.747 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -14.898 -1.883 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.406 -2.930 6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.180 -2.827 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.180 -1.480 6.055 1.00 0.00 H new ATOM 912 N LYS A 568 -13.722 2.535 8.498 1.00 0.00 N ATOM 913 CA LYS A 568 -14.476 3.676 8.994 1.00 0.00 C ATOM 914 C LYS A 568 -14.799 4.650 7.872 1.00 0.00 C ATOM 915 O LYS A 568 -15.891 5.203 7.833 1.00 0.00 O ATOM 916 CB LYS A 568 -13.764 4.378 10.152 1.00 0.00 C ATOM 917 CG LYS A 568 -12.354 4.819 9.837 1.00 0.00 C ATOM 918 CD LYS A 568 -11.681 5.473 11.034 1.00 0.00 C ATOM 919 CE LYS A 568 -11.600 4.526 12.223 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.814 5.099 13.348 1.00 0.00 N ATOM 0 H LYS A 568 -12.729 2.538 8.732 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.417 3.291 9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.348 5.250 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.739 3.706 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.768 3.958 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.371 5.520 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.677 5.794 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.235 6.368 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.607 4.293 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.146 3.587 11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -11.266 4.849 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -9.847 4.716 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -10.778 6.134 13.254 1.00 0.00 H new ATOM 934 N TYR A 569 -13.871 4.831 6.936 1.00 0.00 N ATOM 935 CA TYR A 569 -14.057 5.778 5.844 1.00 0.00 C ATOM 936 C TYR A 569 -15.246 5.367 4.992 1.00 0.00 C ATOM 937 O TYR A 569 -16.075 6.197 4.630 1.00 0.00 O ATOM 938 CB TYR A 569 -12.794 5.860 4.976 1.00 0.00 C ATOM 939 CG TYR A 569 -12.863 6.902 3.869 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.573 6.664 2.697 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.211 8.121 3.998 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.633 7.609 1.691 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.265 9.074 2.996 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.977 8.812 1.843 1.00 0.00 C ATOM 945 OH TYR A 569 -13.036 9.755 0.840 1.00 0.00 O ATOM 0 H TYR A 569 -12.981 4.332 6.913 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.248 6.762 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.941 6.083 5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.610 4.883 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -14.087 5.723 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.651 8.329 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.192 7.406 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.753 10.017 3.116 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.971 10.652 1.230 1.00 0.00 H new ATOM 955 N LEU A 570 -15.334 4.077 4.705 1.00 0.00 N ATOM 956 CA LEU A 570 -16.377 3.556 3.836 1.00 0.00 C ATOM 957 C LEU A 570 -17.743 3.792 4.460 1.00 0.00 C ATOM 958 O LEU A 570 -18.688 4.199 3.789 1.00 0.00 O ATOM 959 CB LEU A 570 -16.162 2.060 3.596 1.00 0.00 C ATOM 960 CG LEU A 570 -14.729 1.662 3.228 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.636 0.169 2.973 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.246 2.444 2.018 1.00 0.00 C ATOM 0 H LEU A 570 -14.692 3.370 5.063 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.331 4.077 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.454 1.518 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.829 1.736 2.797 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.082 1.906 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.610 -0.093 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.932 -0.373 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.299 -0.102 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.226 2.145 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.897 2.238 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.268 3.511 2.242 1.00 0.00 H new ATOM 974 N SER A 571 -17.822 3.539 5.753 1.00 0.00 N ATOM 975 CA SER A 571 -19.053 3.698 6.505 1.00 0.00 C ATOM 976 C SER A 571 -19.402 5.173 6.743 1.00 0.00 C ATOM 977 O SER A 571 -20.569 5.563 6.679 1.00 0.00 O ATOM 978 CB SER A 571 -18.910 2.962 7.830 1.00 0.00 C ATOM 979 OG SER A 571 -18.668 1.581 7.612 1.00 0.00 O ATOM 0 H SER A 571 -17.033 3.217 6.313 1.00 0.00 H new ATOM 0 HA SER A 571 -19.872 3.276 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.091 3.394 8.405 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.816 3.089 8.422 1.00 0.00 H new ATOM 0 HG SER A 571 -17.702 1.420 7.572 1.00 0.00 H new ATOM 985 N ARG A 572 -18.388 5.987 7.019 1.00 0.00 N ATOM 986 CA ARG A 572 -18.596 7.396 7.359 1.00 0.00 C ATOM 987 C ARG A 572 -18.803 8.252 6.114 1.00 0.00 C ATOM 988 O ARG A 572 -19.282 9.379 6.198 1.00 0.00 O ATOM 989 CB ARG A 572 -17.403 7.929 8.157 1.00 0.00 C ATOM 990 CG ARG A 572 -17.222 7.253 9.507 1.00 0.00 C ATOM 991 CD ARG A 572 -15.945 7.705 10.197 1.00 0.00 C ATOM 992 NE ARG A 572 -15.793 7.102 11.523 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.174 7.695 12.546 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.730 8.940 12.428 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.018 7.047 13.695 1.00 0.00 N ATOM 0 H ARG A 572 -17.410 5.697 7.015 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.500 7.457 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.495 7.796 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.529 9.001 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.078 7.477 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.199 6.172 9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.087 7.442 9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.949 8.791 10.291 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.184 6.172 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.861 9.447 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -14.257 9.389 13.212 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.371 6.096 13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.545 7.501 14.476 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.443 7.715 4.964 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.546 8.454 3.713 1.00 0.00 C ATOM 1011 C ASN A 573 -19.407 7.682 2.725 1.00 0.00 C ATOM 1012 O ASN A 573 -20.016 6.674 3.087 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.151 8.703 3.130 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.303 9.604 4.009 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.268 10.822 3.830 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.619 9.012 4.979 1.00 0.00 N ATOM 0 H ASN A 573 -18.076 6.768 4.866 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.016 9.418 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.642 7.749 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.249 9.153 2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.039 9.569 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.673 8.000 5.097 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.482 8.159 1.492 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.260 7.482 0.466 1.00 0.00 C ATOM 1025 C VAL A 574 -19.340 6.754 -0.506 1.00 0.00 C ATOM 1026 O VAL A 574 -18.516 7.375 -1.181 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.145 8.473 -0.321 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -21.996 7.744 -1.349 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.025 9.276 0.621 1.00 0.00 C ATOM 0 H VAL A 574 -19.015 9.010 1.178 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.906 6.764 0.971 1.00 0.00 H new ATOM 0 HB VAL A 574 -20.486 9.162 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -22.610 8.464 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.348 7.220 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.641 7.025 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -22.639 9.967 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -22.669 8.599 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -21.399 9.838 1.313 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.480 5.437 -0.567 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.694 4.618 -1.476 1.00 0.00 C ATOM 1041 C VAL A 575 -19.591 3.559 -2.111 1.00 0.00 C ATOM 1042 O VAL A 575 -20.440 2.973 -1.438 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.517 3.920 -0.756 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.622 3.213 -1.757 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.705 4.910 0.069 1.00 0.00 C ATOM 0 H VAL A 575 -20.137 4.910 0.008 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.279 5.276 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.938 3.180 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.800 2.728 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -17.201 2.463 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.222 3.940 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.886 4.387 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.301 5.683 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.347 5.369 0.821 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.423 3.328 -3.402 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.258 2.370 -4.118 1.00 0.00 C ATOM 1057 C HIS A 576 -19.423 1.376 -4.921 1.00 0.00 C ATOM 1058 O HIS A 576 -19.861 0.258 -5.183 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.231 3.105 -5.050 1.00 0.00 C ATOM 1060 CG HIS A 576 -20.573 4.072 -5.993 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -20.484 5.410 -5.698 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -19.998 3.849 -7.200 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -19.861 5.967 -6.721 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -19.545 5.061 -7.656 1.00 0.00 N ATOM 0 H HIS A 576 -18.718 3.788 -3.978 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.821 1.808 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.785 2.368 -5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.958 3.645 -4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -19.913 2.899 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -19.635 7.020 -6.794 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -19.061 5.238 -8.536 1.00 0.00 H new ATOM 1072 N SER A 577 -18.224 1.780 -5.302 1.00 0.00 N ATOM 1073 CA SER A 577 -17.404 0.980 -6.200 1.00 0.00 C ATOM 1074 C SER A 577 -16.474 0.035 -5.445 1.00 0.00 C ATOM 1075 O SER A 577 -16.305 -1.129 -5.819 1.00 0.00 O ATOM 1076 CB SER A 577 -16.591 1.917 -7.084 1.00 0.00 C ATOM 1077 OG SER A 577 -15.955 2.925 -6.312 1.00 0.00 O ATOM 0 H SER A 577 -17.795 2.656 -5.005 1.00 0.00 H new ATOM 0 HA SER A 577 -18.064 0.359 -6.805 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.841 1.346 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 577 -17.243 2.379 -7.825 1.00 0.00 H new ATOM 0 HG SER A 577 -15.713 3.677 -6.892 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.898 0.540 -4.371 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.867 -0.188 -3.653 1.00 0.00 C ATOM 1085 C VAL A 578 -15.275 -0.557 -2.231 1.00 0.00 C ATOM 1086 O VAL A 578 -15.899 0.225 -1.518 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.533 0.595 -3.652 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.820 0.407 -4.979 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.761 2.081 -3.402 1.00 0.00 C ATOM 0 H VAL A 578 -16.126 1.452 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.726 -1.126 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.916 0.203 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.882 0.962 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.614 -0.652 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.452 0.776 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.804 2.602 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.400 2.488 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -14.243 2.217 -2.434 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.933 -1.781 -1.853 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.178 -2.293 -0.512 1.00 0.00 C ATOM 1101 C ARG A 579 -13.832 -2.477 0.167 1.00 0.00 C ATOM 1102 O ARG A 579 -12.802 -2.332 -0.488 1.00 0.00 O ATOM 1103 CB ARG A 579 -15.913 -3.637 -0.567 1.00 0.00 C ATOM 1104 CG ARG A 579 -16.954 -3.734 -1.670 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.062 -2.711 -1.499 1.00 0.00 C ATOM 1106 NE ARG A 579 -19.021 -2.764 -2.600 1.00 0.00 N ATOM 1107 CZ ARG A 579 -20.137 -2.040 -2.649 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -20.448 -1.225 -1.650 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.948 -2.142 -3.692 1.00 0.00 N ATOM 0 H ARG A 579 -14.475 -2.450 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.802 -1.591 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.181 -4.433 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.400 -3.812 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.472 -3.588 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.383 -4.736 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -18.580 -2.889 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -17.629 -1.712 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.824 -3.394 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -19.831 -1.152 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -21.304 -0.672 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.717 -2.775 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -21.803 -1.587 -3.729 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.818 -2.796 1.459 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.566 -2.949 2.196 1.00 0.00 C ATOM 1125 C ARG A 580 -11.625 -3.959 1.534 1.00 0.00 C ATOM 1126 O ARG A 580 -10.410 -3.812 1.615 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.808 -3.339 3.657 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.535 -4.655 3.851 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.035 -4.456 3.959 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.726 -5.671 4.385 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.026 -5.892 4.191 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.766 -5.004 3.538 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.589 -7.002 4.645 1.00 0.00 N ATOM 0 H ARG A 580 -14.658 -2.953 2.016 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.083 -1.972 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -11.847 -3.392 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.382 -2.548 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.315 -5.319 3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.167 -5.145 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.243 -3.655 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.427 -4.137 2.993 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.182 -6.392 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.340 -4.148 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.760 -5.178 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.027 -7.691 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.584 -7.167 4.495 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.181 -4.982 0.882 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.385 -5.992 0.182 1.00 0.00 C ATOM 1149 C GLU A 581 -10.564 -5.408 -0.973 1.00 0.00 C ATOM 1150 O GLU A 581 -9.568 -5.997 -1.389 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.302 -7.093 -0.350 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.259 -6.619 -1.434 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.342 -7.629 -1.737 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -14.101 -8.539 -2.559 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -15.438 -7.520 -1.144 1.00 0.00 O ATOM 0 H GLU A 581 -13.188 -5.133 0.824 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.679 -6.399 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.690 -7.904 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -12.879 -7.505 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.719 -5.681 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.697 -6.411 -2.344 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.991 -4.268 -1.498 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.289 -3.621 -2.604 1.00 0.00 C ATOM 1164 C HIS A 582 -9.045 -2.908 -2.099 1.00 0.00 C ATOM 1165 O HIS A 582 -8.181 -2.500 -2.874 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.210 -2.642 -3.330 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.267 -3.318 -4.145 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.591 -3.278 -3.790 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.138 -4.035 -5.282 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.232 -3.967 -4.716 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.391 -4.449 -5.641 1.00 0.00 N ATOM 0 H HIS A 582 -11.821 -3.769 -1.177 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.983 -4.391 -3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.687 -1.991 -2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.611 -2.005 -3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.218 -4.242 -5.809 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.301 -4.123 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.637 -5.014 -6.454 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.967 -2.774 -0.791 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.850 -2.110 -0.152 1.00 0.00 C ATOM 1181 C PHE A 583 -6.983 -3.149 0.535 1.00 0.00 C ATOM 1182 O PHE A 583 -7.464 -3.925 1.359 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.347 -1.068 0.854 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.337 -0.104 0.264 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.925 0.905 -0.583 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.682 -0.220 0.550 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.837 1.782 -1.131 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.603 0.652 0.006 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.179 1.655 -0.837 1.00 0.00 C ATOM 0 H PHE A 583 -9.674 -3.121 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.259 -1.589 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.806 -1.579 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.494 -0.511 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.876 1.009 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.019 -1.006 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.501 2.568 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.652 0.548 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.895 2.340 -1.267 1.00 0.00 H new ATOM 1199 N SER A 584 -5.709 -3.174 0.198 1.00 0.00 N ATOM 1200 CA SER A 584 -4.812 -4.176 0.732 1.00 0.00 C ATOM 1201 C SER A 584 -3.559 -3.501 1.259 1.00 0.00 C ATOM 1202 O SER A 584 -2.968 -2.659 0.582 1.00 0.00 O ATOM 1203 CB SER A 584 -4.451 -5.202 -0.348 1.00 0.00 C ATOM 1204 OG SER A 584 -3.556 -6.183 0.151 1.00 0.00 O ATOM 0 H SER A 584 -5.273 -2.511 -0.443 1.00 0.00 H new ATOM 0 HA SER A 584 -5.308 -4.702 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.358 -5.685 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 584 -3.998 -4.693 -1.199 1.00 0.00 H new ATOM 0 HG SER A 584 -3.345 -6.825 -0.559 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.152 -3.868 2.458 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.988 -3.259 3.068 1.00 0.00 C ATOM 1212 C PHE A 585 -0.782 -4.182 3.003 1.00 0.00 C ATOM 1213 O PHE A 585 0.314 -3.815 3.432 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.288 -2.844 4.504 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.171 -1.634 4.587 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.683 -0.399 4.212 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.480 -1.724 5.033 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.471 0.725 4.277 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.278 -0.596 5.100 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.767 0.632 4.721 1.00 0.00 C ATOM 0 H PHE A 585 -3.608 -4.582 3.027 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.742 -2.362 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.766 -3.674 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.351 -2.640 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.665 -0.314 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.880 -2.682 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.070 1.683 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.298 -0.674 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.386 1.516 4.774 1.00 0.00 H new ATOM 1230 N SER A 586 -0.994 -5.381 2.480 1.00 0.00 N ATOM 1231 CA SER A 586 0.101 -6.292 2.190 1.00 0.00 C ATOM 1232 C SER A 586 1.053 -5.681 1.160 1.00 0.00 C ATOM 1233 O SER A 586 0.682 -5.486 0.000 1.00 0.00 O ATOM 1234 CB SER A 586 -0.455 -7.614 1.656 1.00 0.00 C ATOM 1235 OG SER A 586 -1.426 -8.158 2.535 1.00 0.00 O ATOM 0 H SER A 586 -1.918 -5.745 2.248 1.00 0.00 H new ATOM 0 HA SER A 586 0.655 -6.474 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.900 -7.453 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.359 -8.327 1.524 1.00 0.00 H new ATOM 0 HG SER A 586 -1.765 -9.001 2.167 1.00 0.00 H new ATOM 1241 N PRO A 587 2.304 -5.382 1.561 1.00 0.00 N ATOM 1242 CA PRO A 587 3.307 -4.799 0.660 1.00 0.00 C ATOM 1243 C PRO A 587 3.850 -5.837 -0.314 1.00 0.00 C ATOM 1244 O PRO A 587 4.829 -5.606 -1.015 1.00 0.00 O ATOM 1245 CB PRO A 587 4.400 -4.338 1.620 1.00 0.00 C ATOM 1246 CG PRO A 587 4.320 -5.311 2.741 1.00 0.00 C ATOM 1247 CD PRO A 587 2.851 -5.593 2.918 1.00 0.00 C ATOM 0 HA PRO A 587 2.905 -3.999 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.381 -4.353 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.227 -3.318 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.871 -6.223 2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.754 -4.898 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.675 -6.609 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.396 -4.921 3.645 1.00 0.00 H new ATOM 1255 N ARG A 588 3.195 -6.988 -0.340 1.00 0.00 N ATOM 1256 CA ARG A 588 3.546 -8.078 -1.227 1.00 0.00 C ATOM 1257 C ARG A 588 2.593 -8.084 -2.415 1.00 0.00 C ATOM 1258 O ARG A 588 2.653 -8.948 -3.291 1.00 0.00 O ATOM 1259 CB ARG A 588 3.487 -9.389 -0.442 1.00 0.00 C ATOM 1260 CG ARG A 588 4.431 -9.369 0.749 1.00 0.00 C ATOM 1261 CD ARG A 588 4.119 -10.437 1.780 1.00 0.00 C ATOM 1262 NE ARG A 588 5.048 -10.344 2.907 1.00 0.00 N ATOM 1263 CZ ARG A 588 4.681 -10.287 4.189 1.00 0.00 C ATOM 1264 NH1 ARG A 588 3.405 -10.417 4.533 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.599 -10.111 5.131 1.00 0.00 N ATOM 0 H ARG A 588 2.397 -7.190 0.262 1.00 0.00 H new ATOM 0 HA ARG A 588 4.558 -7.957 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.468 -9.562 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.746 -10.219 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.453 -9.503 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.384 -8.390 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 588 3.095 -10.322 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.189 -11.424 1.323 1.00 0.00 H new ATOM 0 HE ARG A 588 6.046 -10.321 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 588 2.695 -10.562 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 588 3.135 -10.372 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 588 6.582 -10.020 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 588 5.322 -10.067 6.112 1.00 0.00 H new ATOM 1279 N MET A 589 1.711 -7.096 -2.417 1.00 0.00 N ATOM 1280 CA MET A 589 0.811 -6.857 -3.532 1.00 0.00 C ATOM 1281 C MET A 589 1.411 -5.812 -4.464 1.00 0.00 C ATOM 1282 O MET A 589 1.455 -4.631 -4.119 1.00 0.00 O ATOM 1283 CB MET A 589 -0.549 -6.377 -3.021 1.00 0.00 C ATOM 1284 CG MET A 589 -1.578 -6.188 -4.118 1.00 0.00 C ATOM 1285 SD MET A 589 -1.963 -7.725 -4.974 1.00 0.00 S ATOM 1286 CE MET A 589 -2.618 -8.708 -3.627 1.00 0.00 C ATOM 0 H MET A 589 1.600 -6.438 -1.645 1.00 0.00 H new ATOM 0 HA MET A 589 0.672 -7.790 -4.079 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.930 -7.097 -2.297 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.416 -5.433 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.491 -5.777 -3.688 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.207 -5.458 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.287 -9.471 -4.025 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.797 -9.188 -3.094 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.169 -8.064 -2.941 1.00 0.00 H new ATOM 1296 N PRO A 590 1.878 -6.227 -5.653 1.00 0.00 N ATOM 1297 CA PRO A 590 2.544 -5.332 -6.607 1.00 0.00 C ATOM 1298 C PRO A 590 1.562 -4.442 -7.367 1.00 0.00 C ATOM 1299 O PRO A 590 1.520 -4.447 -8.597 1.00 0.00 O ATOM 1300 CB PRO A 590 3.240 -6.305 -7.558 1.00 0.00 C ATOM 1301 CG PRO A 590 2.374 -7.517 -7.553 1.00 0.00 C ATOM 1302 CD PRO A 590 1.785 -7.609 -6.170 1.00 0.00 C ATOM 0 HA PRO A 590 3.219 -4.633 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.329 -5.885 -8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.250 -6.537 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.589 -7.437 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 590 2.953 -8.410 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.752 -7.957 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.340 -8.308 -5.545 1.00 0.00 H new ATOM 1310 N VAL A 591 0.794 -3.663 -6.624 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.202 -2.773 -7.202 1.00 0.00 C ATOM 1312 C VAL A 591 -0.141 -1.432 -6.490 1.00 0.00 C ATOM 1313 O VAL A 591 0.057 -1.388 -5.274 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.628 -3.356 -7.072 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.645 -2.469 -7.768 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.685 -4.770 -7.625 1.00 0.00 C ATOM 0 H VAL A 591 0.842 -3.629 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 591 0.019 -2.655 -8.263 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.879 -3.392 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.639 -2.902 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.631 -1.477 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.395 -2.390 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.698 -5.160 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.404 -4.760 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.994 -5.405 -7.071 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.290 -0.342 -7.225 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.189 0.961 -6.630 1.00 0.00 C ATOM 1328 C GLY A 592 1.153 1.572 -6.925 1.00 0.00 C ATOM 1329 O GLY A 592 1.645 1.504 -8.054 1.00 0.00 O ATOM 0 H GLY A 592 -0.480 -0.343 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.981 1.605 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.333 0.887 -5.552 1.00 0.00 H new ATOM 1333 N ASP A 593 1.754 2.147 -5.917 1.00 0.00 N ATOM 1334 CA ASP A 593 3.076 2.712 -6.040 1.00 0.00 C ATOM 1335 C ASP A 593 3.983 2.094 -4.994 1.00 0.00 C ATOM 1336 O ASP A 593 3.580 1.880 -3.861 1.00 0.00 O ATOM 1337 CB ASP A 593 3.051 4.238 -5.885 1.00 0.00 C ATOM 1338 CG ASP A 593 2.295 4.944 -6.996 1.00 0.00 C ATOM 1339 OD1 ASP A 593 2.912 5.247 -8.037 1.00 0.00 O ATOM 1340 OD2 ASP A 593 1.087 5.220 -6.828 1.00 0.00 O ATOM 0 H ASP A 593 1.343 2.238 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 593 3.456 2.489 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.595 4.491 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.075 4.610 -5.859 1.00 0.00 H new ATOM 1345 N PHE A 594 5.193 1.795 -5.398 1.00 0.00 N ATOM 1346 CA PHE A 594 6.185 1.226 -4.493 1.00 0.00 C ATOM 1347 C PHE A 594 7.403 2.118 -4.399 1.00 0.00 C ATOM 1348 O PHE A 594 7.916 2.582 -5.413 1.00 0.00 O ATOM 1349 CB PHE A 594 6.596 -0.173 -4.947 1.00 0.00 C ATOM 1350 CG PHE A 594 5.729 -1.270 -4.399 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.443 -1.475 -4.875 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.211 -2.104 -3.406 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.658 -2.489 -4.367 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.431 -3.120 -2.894 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.153 -3.314 -3.376 1.00 0.00 C ATOM 0 H PHE A 594 5.525 1.934 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 594 5.730 1.152 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.571 -0.213 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.628 -0.354 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.052 -0.834 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.211 -1.958 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.657 -2.638 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 594 5.820 -3.762 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.540 -4.110 -2.979 1.00 0.00 H new ATOM 1365 N PHE A 595 7.846 2.381 -3.179 1.00 0.00 N ATOM 1366 CA PHE A 595 9.020 3.202 -2.955 1.00 0.00 C ATOM 1367 C PHE A 595 10.004 2.494 -2.036 1.00 0.00 C ATOM 1368 O PHE A 595 9.620 1.650 -1.224 1.00 0.00 O ATOM 1369 CB PHE A 595 8.620 4.540 -2.324 1.00 0.00 C ATOM 1370 CG PHE A 595 7.477 5.218 -3.020 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.171 4.919 -2.674 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.706 6.144 -4.022 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.115 5.529 -3.314 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.650 6.759 -4.666 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.353 6.448 -4.310 1.00 0.00 C ATOM 0 H PHE A 595 7.406 2.035 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 595 9.495 3.380 -3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.351 4.374 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.483 5.206 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 595 5.977 4.199 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.720 6.388 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.101 5.286 -3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.839 7.482 -5.446 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.525 6.926 -4.813 1.00 0.00 H new ATOM 1385 N GLU A 596 11.260 2.863 -2.164 1.00 0.00 N ATOM 1386 CA GLU A 596 12.310 2.344 -1.311 1.00 0.00 C ATOM 1387 C GLU A 596 13.120 3.511 -0.768 1.00 0.00 C ATOM 1388 O GLU A 596 13.612 4.337 -1.543 1.00 0.00 O ATOM 1389 CB GLU A 596 13.210 1.396 -2.107 1.00 0.00 C ATOM 1390 CG GLU A 596 14.463 0.971 -1.354 1.00 0.00 C ATOM 1391 CD GLU A 596 15.329 0.006 -2.133 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.110 0.453 -2.999 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.233 -1.212 -1.885 1.00 0.00 O ATOM 0 H GLU A 596 11.584 3.532 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 596 11.874 1.786 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.639 0.507 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.503 1.882 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.049 1.857 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.173 0.508 -0.411 1.00 0.00 H new ATOM 1400 N GLU A 597 13.234 3.621 0.548 1.00 0.00 N ATOM 1401 CA GLU A 597 13.955 4.715 1.169 1.00 0.00 C ATOM 1402 C GLU A 597 15.447 4.492 1.001 1.00 0.00 C ATOM 1403 O GLU A 597 15.995 3.485 1.454 1.00 0.00 O ATOM 1404 CB GLU A 597 13.596 4.801 2.653 1.00 0.00 C ATOM 1405 CG GLU A 597 14.464 5.763 3.443 1.00 0.00 C ATOM 1406 CD GLU A 597 14.036 5.874 4.889 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.423 5.004 5.696 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.319 6.837 5.229 1.00 0.00 O ATOM 0 H GLU A 597 12.831 2.957 1.209 1.00 0.00 H new ATOM 0 HA GLU A 597 13.676 5.654 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.554 5.107 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.678 3.808 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.501 5.432 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.424 6.748 2.979 1.00 0.00 H new ATOM 1415 N ARG A 598 16.097 5.433 0.349 1.00 0.00 N ATOM 1416 CA ARG A 598 17.478 5.275 -0.051 1.00 0.00 C ATOM 1417 C ARG A 598 18.276 6.526 0.283 1.00 0.00 C ATOM 1418 O ARG A 598 17.709 7.615 0.414 1.00 0.00 O ATOM 1419 CB ARG A 598 17.511 4.997 -1.557 1.00 0.00 C ATOM 1420 CG ARG A 598 18.895 4.850 -2.154 1.00 0.00 C ATOM 1421 CD ARG A 598 18.819 4.583 -3.644 1.00 0.00 C ATOM 1422 NE ARG A 598 20.125 4.271 -4.214 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.310 3.899 -5.478 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.273 3.783 -6.300 1.00 0.00 N ATOM 1425 NH2 ARG A 598 21.530 3.635 -5.921 1.00 0.00 N ATOM 0 H ARG A 598 15.684 6.327 0.082 1.00 0.00 H new ATOM 0 HA ARG A 598 17.931 4.443 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 598 16.948 4.084 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 598 16.995 5.807 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.471 5.757 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.423 4.033 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.136 3.754 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.404 5.456 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 598 20.943 4.342 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.331 3.979 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 598 19.419 3.498 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.329 3.717 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 598 21.670 3.350 -6.890 1.00 0.00 H new ATOM 1439 N ASP A 599 19.586 6.374 0.408 1.00 0.00 N ATOM 1440 CA ASP A 599 20.467 7.502 0.646 1.00 0.00 C ATOM 1441 C ASP A 599 21.100 7.981 -0.644 1.00 0.00 C ATOM 1442 O ASP A 599 21.577 7.195 -1.467 1.00 0.00 O ATOM 1443 CB ASP A 599 21.551 7.144 1.670 1.00 0.00 C ATOM 1444 CG ASP A 599 22.485 6.052 1.190 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.071 4.872 1.178 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.638 6.362 0.827 1.00 0.00 O ATOM 0 H ASP A 599 20.062 5.474 0.348 1.00 0.00 H new ATOM 0 HA ASP A 599 19.863 8.313 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.133 8.036 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.075 6.825 2.597 1.00 0.00 H new ATOM 1451 N THR A 600 21.060 9.281 -0.819 1.00 0.00 N ATOM 1452 CA THR A 600 21.614 9.932 -1.986 1.00 0.00 C ATOM 1453 C THR A 600 22.578 11.013 -1.537 1.00 0.00 C ATOM 1454 O THR A 600 22.581 11.390 -0.364 1.00 0.00 O ATOM 1455 CB THR A 600 20.488 10.558 -2.830 1.00 0.00 C ATOM 1456 OG1 THR A 600 19.998 11.737 -2.188 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.344 9.578 -2.990 1.00 0.00 C ATOM 0 H THR A 600 20.638 9.924 -0.149 1.00 0.00 H new ATOM 0 HA THR A 600 22.139 9.197 -2.595 1.00 0.00 H new ATOM 0 HB THR A 600 20.892 10.809 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.765 11.531 -1.259 1.00 0.00 H new ATOM 0 HG21 THR A 600 18.555 10.034 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 600 19.703 8.678 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 600 18.949 9.316 -2.008 1.00 0.00 H new ATOM 1465 N PRO A 601 23.417 11.516 -2.442 1.00 0.00 N ATOM 1466 CA PRO A 601 24.346 12.602 -2.131 1.00 0.00 C ATOM 1467 C PRO A 601 23.628 13.892 -1.716 1.00 0.00 C ATOM 1468 O PRO A 601 24.255 14.821 -1.202 1.00 0.00 O ATOM 1469 CB PRO A 601 25.125 12.797 -3.435 1.00 0.00 C ATOM 1470 CG PRO A 601 24.280 12.179 -4.494 1.00 0.00 C ATOM 1471 CD PRO A 601 23.556 11.050 -3.830 1.00 0.00 C ATOM 0 HA PRO A 601 24.983 12.360 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 601 25.297 13.854 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.103 12.319 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 601 23.579 12.904 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 601 24.891 11.819 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 601 22.586 10.865 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.120 10.119 -3.889 1.00 0.00 H new ATOM 1479 N GLU A 602 22.315 13.954 -1.940 1.00 0.00 N ATOM 1480 CA GLU A 602 21.524 15.093 -1.488 1.00 0.00 C ATOM 1481 C GLU A 602 20.811 14.765 -0.172 1.00 0.00 C ATOM 1482 O GLU A 602 20.338 15.660 0.529 1.00 0.00 O ATOM 1483 CB GLU A 602 20.507 15.515 -2.559 1.00 0.00 C ATOM 1484 CG GLU A 602 19.262 14.647 -2.614 1.00 0.00 C ATOM 1485 CD GLU A 602 18.288 15.086 -3.687 1.00 0.00 C ATOM 1486 OE1 GLU A 602 17.500 16.021 -3.437 1.00 0.00 O ATOM 1487 OE2 GLU A 602 18.296 14.483 -4.782 1.00 0.00 O ATOM 0 H GLU A 602 21.782 13.234 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 602 22.203 15.928 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.209 16.547 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 602 20.994 15.494 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.554 13.613 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.764 14.672 -1.645 1.00 0.00 H new ATOM 1494 N GLY A 603 20.755 13.480 0.164 1.00 0.00 N ATOM 1495 CA GLY A 603 20.092 13.077 1.383 1.00 0.00 C ATOM 1496 C GLY A 603 19.187 11.881 1.214 1.00 0.00 C ATOM 1497 O GLY A 603 19.269 11.152 0.227 1.00 0.00 O ATOM 0 H GLY A 603 21.155 12.718 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 603 20.845 12.848 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.506 13.914 1.761 1.00 0.00 H new ATOM 1501 N LEU A 604 18.324 11.684 2.190 1.00 0.00 N ATOM 1502 CA LEU A 604 17.374 10.587 2.170 1.00 0.00 C ATOM 1503 C LEU A 604 16.135 10.973 1.391 1.00 0.00 C ATOM 1504 O LEU A 604 15.478 11.974 1.685 1.00 0.00 O ATOM 1505 CB LEU A 604 16.990 10.169 3.588 1.00 0.00 C ATOM 1506 CG LEU A 604 18.063 9.389 4.340 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.692 9.248 5.807 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.265 8.019 3.711 1.00 0.00 C ATOM 0 H LEU A 604 18.260 12.277 3.017 1.00 0.00 H new ATOM 0 HA LEU A 604 17.852 9.739 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.743 11.063 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.086 9.562 3.540 1.00 0.00 H new ATOM 0 HG LEU A 604 18.999 9.943 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.470 8.689 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.596 10.237 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.744 8.717 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.034 7.476 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.330 7.460 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.576 8.137 2.673 1.00 0.00 H new ATOM 1520 N GLN A 605 15.846 10.190 0.382 1.00 0.00 N ATOM 1521 CA GLN A 605 14.676 10.420 -0.443 1.00 0.00 C ATOM 1522 C GLN A 605 14.015 9.086 -0.729 1.00 0.00 C ATOM 1523 O GLN A 605 14.687 8.049 -0.739 1.00 0.00 O ATOM 1524 CB GLN A 605 15.046 11.128 -1.737 1.00 0.00 C ATOM 1525 CG GLN A 605 15.846 10.268 -2.693 1.00 0.00 C ATOM 1526 CD GLN A 605 16.571 11.083 -3.735 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.695 10.673 -4.891 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.114 12.213 -3.316 1.00 0.00 N ATOM 0 H GLN A 605 16.405 9.382 0.107 1.00 0.00 H new ATOM 0 HA GLN A 605 13.981 11.069 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.134 11.457 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.621 12.023 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.569 9.680 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.178 9.563 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.985 12.513 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 605 17.662 12.785 -3.959 1.00 0.00 H new ATOM 1537 N TRP A 606 12.712 9.089 -0.935 1.00 0.00 N ATOM 1538 CA TRP A 606 11.998 7.861 -1.204 1.00 0.00 C ATOM 1539 C TRP A 606 12.019 7.617 -2.700 1.00 0.00 C ATOM 1540 O TRP A 606 11.382 8.347 -3.464 1.00 0.00 O ATOM 1541 CB TRP A 606 10.557 7.945 -0.694 1.00 0.00 C ATOM 1542 CG TRP A 606 10.429 7.673 0.772 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.393 8.584 1.787 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.324 6.388 1.382 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.273 7.937 2.995 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.228 6.586 2.771 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.302 5.089 0.882 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.111 5.524 3.666 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.188 4.041 1.766 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.093 4.259 3.143 1.00 0.00 C ATOM 0 H TRP A 606 12.130 9.927 -0.921 1.00 0.00 H new ATOM 0 HA TRP A 606 12.481 7.034 -0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.161 8.938 -0.908 1.00 0.00 H new ATOM 0 HB3 TRP A 606 9.943 7.232 -1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 606 10.450 9.655 1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.225 8.389 3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.373 4.907 -0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.037 5.692 4.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.172 3.029 1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.004 3.413 3.808 1.00 0.00 H new ATOM 1561 N VAL A 607 12.758 6.607 -3.121 1.00 0.00 N ATOM 1562 CA VAL A 607 12.923 6.336 -4.536 1.00 0.00 C ATOM 1563 C VAL A 607 11.882 5.338 -4.999 1.00 0.00 C ATOM 1564 O VAL A 607 11.739 4.260 -4.427 1.00 0.00 O ATOM 1565 CB VAL A 607 14.335 5.779 -4.831 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.556 5.626 -6.327 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.408 6.669 -4.218 1.00 0.00 C ATOM 0 H VAL A 607 13.252 5.962 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 607 12.797 7.274 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 607 14.409 4.792 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.556 5.233 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 607 13.816 4.938 -6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.455 6.597 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.393 6.257 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.332 7.672 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.268 6.716 -3.138 1.00 0.00 H new ATOM 1577 N GLN A 608 11.142 5.720 -6.023 1.00 0.00 N ATOM 1578 CA GLN A 608 10.056 4.906 -6.521 1.00 0.00 C ATOM 1579 C GLN A 608 10.606 3.719 -7.293 1.00 0.00 C ATOM 1580 O GLN A 608 11.521 3.858 -8.109 1.00 0.00 O ATOM 1581 CB GLN A 608 9.122 5.716 -7.404 1.00 0.00 C ATOM 1582 CG GLN A 608 7.749 5.086 -7.495 1.00 0.00 C ATOM 1583 CD GLN A 608 6.761 5.924 -8.260 1.00 0.00 C ATOM 1584 OE1 GLN A 608 6.873 7.149 -8.329 1.00 0.00 O ATOM 1585 NE2 GLN A 608 5.753 5.272 -8.794 1.00 0.00 N ATOM 0 H GLN A 608 11.277 6.596 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 608 9.484 4.545 -5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.032 6.727 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 608 9.550 5.802 -8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 608 7.835 4.110 -7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.368 4.915 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.702 4.257 -8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.022 5.781 -9.291 1.00 0.00 H new ATOM 1594 N LEU A 609 10.034 2.561 -7.030 1.00 0.00 N ATOM 1595 CA LEU A 609 10.468 1.317 -7.636 1.00 0.00 C ATOM 1596 C LEU A 609 9.573 1.020 -8.827 1.00 0.00 C ATOM 1597 O LEU A 609 8.378 1.317 -8.783 1.00 0.00 O ATOM 1598 CB LEU A 609 10.340 0.179 -6.618 1.00 0.00 C ATOM 1599 CG LEU A 609 11.133 0.356 -5.324 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.618 -0.595 -4.254 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.610 0.114 -5.574 1.00 0.00 C ATOM 0 H LEU A 609 9.250 2.455 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 609 11.507 1.403 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.287 0.060 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.659 -0.748 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 609 11.001 1.380 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.192 -0.457 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.566 -0.387 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.726 -1.623 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.163 0.244 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 609 12.755 -0.901 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 609 12.975 0.825 -6.315 1.00 0.00 H new ATOM 1613 N SER A 610 10.118 0.449 -9.889 1.00 0.00 N ATOM 1614 CA SER A 610 9.313 0.015 -11.010 1.00 0.00 C ATOM 1615 C SER A 610 8.714 -1.340 -10.687 1.00 0.00 C ATOM 1616 O SER A 610 9.128 -1.982 -9.720 1.00 0.00 O ATOM 1617 CB SER A 610 10.163 -0.047 -12.280 1.00 0.00 C ATOM 1618 OG SER A 610 10.746 1.216 -12.559 1.00 0.00 O ATOM 0 H SER A 610 11.118 0.277 -9.995 1.00 0.00 H new ATOM 0 HA SER A 610 8.507 0.727 -11.187 1.00 0.00 H new ATOM 0 HB2 SER A 610 10.946 -0.796 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 610 9.545 -0.361 -13.121 1.00 0.00 H new ATOM 0 HG SER A 610 11.287 1.154 -13.374 1.00 0.00 H new ATOM 1624 N ALA A 611 7.754 -1.776 -11.486 1.00 0.00 N ATOM 1625 CA ALA A 611 7.057 -3.028 -11.234 1.00 0.00 C ATOM 1626 C ALA A 611 8.028 -4.196 -11.121 1.00 0.00 C ATOM 1627 O ALA A 611 7.775 -5.146 -10.390 1.00 0.00 O ATOM 1628 CB ALA A 611 6.033 -3.292 -12.326 1.00 0.00 C ATOM 0 H ALA A 611 7.438 -1.279 -12.319 1.00 0.00 H new ATOM 0 HA ALA A 611 6.540 -2.935 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 611 5.520 -4.232 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.307 -2.479 -12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 611 6.537 -3.354 -13.290 1.00 0.00 H new ATOM 1634 N GLU A 612 9.137 -4.120 -11.845 1.00 0.00 N ATOM 1635 CA GLU A 612 10.131 -5.188 -11.829 1.00 0.00 C ATOM 1636 C GLU A 612 10.999 -5.127 -10.568 1.00 0.00 C ATOM 1637 O GLU A 612 11.554 -6.138 -10.138 1.00 0.00 O ATOM 1638 CB GLU A 612 11.012 -5.111 -13.073 1.00 0.00 C ATOM 1639 CG GLU A 612 10.248 -5.344 -14.364 1.00 0.00 C ATOM 1640 CD GLU A 612 9.541 -6.681 -14.380 1.00 0.00 C ATOM 1641 OE1 GLU A 612 10.227 -7.719 -14.470 1.00 0.00 O ATOM 1642 OE2 GLU A 612 8.293 -6.703 -14.290 1.00 0.00 O ATOM 0 H GLU A 612 9.372 -3.333 -12.450 1.00 0.00 H new ATOM 0 HA GLU A 612 9.597 -6.138 -11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 612 11.489 -4.131 -13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 612 11.809 -5.850 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 612 9.517 -4.547 -14.499 1.00 0.00 H new ATOM 0 HG3 GLU A 612 10.938 -5.290 -15.206 1.00 0.00 H new ATOM 1649 N GLU A 613 11.122 -3.941 -9.981 1.00 0.00 N ATOM 1650 CA GLU A 613 11.894 -3.774 -8.754 1.00 0.00 C ATOM 1651 C GLU A 613 11.056 -4.161 -7.547 1.00 0.00 C ATOM 1652 O GLU A 613 11.585 -4.603 -6.523 1.00 0.00 O ATOM 1653 CB GLU A 613 12.362 -2.329 -8.602 1.00 0.00 C ATOM 1654 CG GLU A 613 13.265 -1.849 -9.723 1.00 0.00 C ATOM 1655 CD GLU A 613 14.528 -2.673 -9.845 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.480 -2.429 -9.076 1.00 0.00 O ATOM 1657 OE2 GLU A 613 14.579 -3.565 -10.715 1.00 0.00 O ATOM 0 H GLU A 613 10.698 -3.083 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 613 12.766 -4.425 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.489 -1.679 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 613 12.892 -2.228 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 613 12.719 -1.886 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.531 -0.806 -9.549 1.00 0.00 H new ATOM 1664 N ILE A 614 9.747 -3.970 -7.685 1.00 0.00 N ATOM 1665 CA ILE A 614 8.781 -4.252 -6.626 1.00 0.00 C ATOM 1666 C ILE A 614 8.992 -5.630 -5.971 1.00 0.00 C ATOM 1667 O ILE A 614 9.243 -5.701 -4.768 1.00 0.00 O ATOM 1668 CB ILE A 614 7.337 -4.153 -7.177 1.00 0.00 C ATOM 1669 CG1 ILE A 614 6.963 -2.697 -7.458 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.343 -4.802 -6.230 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.547 -2.516 -7.972 1.00 0.00 C ATOM 0 H ILE A 614 9.323 -3.613 -8.541 1.00 0.00 H new ATOM 0 HA ILE A 614 8.939 -3.500 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 614 7.298 -4.699 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.084 -2.118 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 614 7.660 -2.287 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.338 -4.717 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.595 -5.855 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.381 -4.301 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.356 -1.457 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.425 -3.066 -8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 614 4.841 -2.894 -7.233 1.00 0.00 H new ATOM 1683 N PRO A 615 8.935 -6.737 -6.745 1.00 0.00 N ATOM 1684 CA PRO A 615 9.041 -8.093 -6.193 1.00 0.00 C ATOM 1685 C PRO A 615 10.369 -8.343 -5.498 1.00 0.00 C ATOM 1686 O PRO A 615 10.429 -9.083 -4.520 1.00 0.00 O ATOM 1687 CB PRO A 615 8.902 -9.005 -7.415 1.00 0.00 C ATOM 1688 CG PRO A 615 9.212 -8.133 -8.577 1.00 0.00 C ATOM 1689 CD PRO A 615 8.745 -6.767 -8.201 1.00 0.00 C ATOM 0 HA PRO A 615 8.283 -8.267 -5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.590 -9.849 -7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 615 7.896 -9.418 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.281 -8.135 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 615 8.705 -8.485 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.327 -5.991 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 615 7.702 -6.608 -8.474 1.00 0.00 H new ATOM 1697 N SER A 616 11.424 -7.700 -5.982 1.00 0.00 N ATOM 1698 CA SER A 616 12.751 -7.876 -5.413 1.00 0.00 C ATOM 1699 C SER A 616 12.779 -7.348 -3.985 1.00 0.00 C ATOM 1700 O SER A 616 13.354 -7.963 -3.087 1.00 0.00 O ATOM 1701 CB SER A 616 13.780 -7.144 -6.271 1.00 0.00 C ATOM 1702 OG SER A 616 13.623 -7.485 -7.639 1.00 0.00 O ATOM 0 H SER A 616 11.385 -7.051 -6.768 1.00 0.00 H new ATOM 0 HA SER A 616 12.997 -8.938 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.668 -6.067 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.786 -7.401 -5.940 1.00 0.00 H new ATOM 0 HG SER A 616 14.289 -7.006 -8.174 1.00 0.00 H new ATOM 1708 N ARG A 617 12.121 -6.214 -3.783 1.00 0.00 N ATOM 1709 CA ARG A 617 11.977 -5.639 -2.455 1.00 0.00 C ATOM 1710 C ARG A 617 11.014 -6.470 -1.617 1.00 0.00 C ATOM 1711 O ARG A 617 11.239 -6.686 -0.425 1.00 0.00 O ATOM 1712 CB ARG A 617 11.508 -4.186 -2.540 1.00 0.00 C ATOM 1713 CG ARG A 617 12.641 -3.181 -2.681 1.00 0.00 C ATOM 1714 CD ARG A 617 13.434 -3.382 -3.962 1.00 0.00 C ATOM 1715 NE ARG A 617 14.518 -2.412 -4.071 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.229 -2.184 -5.171 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.024 -2.909 -6.266 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.148 -1.227 -5.167 1.00 0.00 N ATOM 0 H ARG A 617 11.678 -5.674 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 617 12.953 -5.650 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.834 -4.081 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.932 -3.947 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.232 -2.171 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.310 -3.268 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 617 13.843 -4.392 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 617 12.771 -3.288 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 617 14.748 -1.867 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.318 -3.645 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.573 -2.729 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.304 -0.673 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.698 -1.045 -6.006 1.00 0.00 H new ATOM 1732 N ILE A 618 9.950 -6.949 -2.258 1.00 0.00 N ATOM 1733 CA ILE A 618 8.972 -7.804 -1.596 1.00 0.00 C ATOM 1734 C ILE A 618 9.641 -9.040 -1.004 1.00 0.00 C ATOM 1735 O ILE A 618 9.363 -9.416 0.123 1.00 0.00 O ATOM 1736 CB ILE A 618 7.862 -8.255 -2.567 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.056 -7.053 -3.060 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.951 -9.271 -1.900 1.00 0.00 C ATOM 1739 CD1 ILE A 618 5.925 -7.422 -3.997 1.00 0.00 C ATOM 0 H ILE A 618 9.744 -6.758 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 618 8.525 -7.211 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 618 8.332 -8.728 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.646 -6.524 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.727 -6.361 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.174 -9.578 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.534 -10.142 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.490 -8.824 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.398 -6.519 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.330 -7.924 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.232 -8.090 -3.485 1.00 0.00 H new ATOM 1751 N GLN A 619 10.540 -9.647 -1.767 1.00 0.00 N ATOM 1752 CA GLN A 619 11.235 -10.862 -1.343 1.00 0.00 C ATOM 1753 C GLN A 619 11.940 -10.682 -0.002 1.00 0.00 C ATOM 1754 O GLN A 619 12.030 -11.618 0.791 1.00 0.00 O ATOM 1755 CB GLN A 619 12.229 -11.303 -2.413 1.00 0.00 C ATOM 1756 CG GLN A 619 11.553 -11.738 -3.699 1.00 0.00 C ATOM 1757 CD GLN A 619 10.624 -12.916 -3.496 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.036 -14.068 -3.583 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.359 -12.633 -3.231 1.00 0.00 N ATOM 0 H GLN A 619 10.809 -9.316 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 619 10.483 -11.639 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.913 -10.482 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.830 -12.126 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.989 -10.901 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.313 -12.002 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.056 -11.661 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.686 -13.387 -3.091 1.00 0.00 H new ATOM 1768 N ALA A 620 12.438 -9.482 0.243 1.00 0.00 N ATOM 1769 CA ALA A 620 13.163 -9.189 1.471 1.00 0.00 C ATOM 1770 C ALA A 620 12.197 -8.983 2.635 1.00 0.00 C ATOM 1771 O ALA A 620 12.420 -9.480 3.739 1.00 0.00 O ATOM 1772 CB ALA A 620 14.040 -7.962 1.278 1.00 0.00 C ATOM 0 H ALA A 620 12.354 -8.690 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 620 13.800 -10.041 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.578 -7.751 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.754 -8.148 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.417 -7.107 1.017 1.00 0.00 H new ATOM 1778 N ILE A 621 11.116 -8.256 2.376 1.00 0.00 N ATOM 1779 CA ILE A 621 10.118 -7.980 3.405 1.00 0.00 C ATOM 1780 C ILE A 621 9.156 -9.155 3.550 1.00 0.00 C ATOM 1781 O ILE A 621 8.268 -9.158 4.406 1.00 0.00 O ATOM 1782 CB ILE A 621 9.321 -6.694 3.100 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.623 -6.788 1.741 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.245 -5.489 3.130 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.767 -5.583 1.420 1.00 0.00 C ATOM 0 H ILE A 621 10.908 -7.848 1.465 1.00 0.00 H new ATOM 0 HA ILE A 621 10.656 -7.834 4.342 1.00 0.00 H new ATOM 0 HB ILE A 621 8.556 -6.578 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.376 -6.907 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.000 -7.682 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.673 -4.587 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.699 -5.403 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.027 -5.611 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.302 -5.717 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.992 -5.475 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.389 -4.688 1.407 1.00 0.00 H new