USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 539 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1) USER MOD Single : A 540 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 544 SER OG : rot 87:sc= 1.22 USER MOD Single : A 545 TYR OH : rot -140:sc= -0.622! USER MOD Single : A 548 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.7!) USER MOD Single : A 549 MET CE :methyl 147:sc= -1.09 (180deg=-2.7!) USER MOD Single : A 550 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.271) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -167:sc= 0.733 (180deg=0.44) USER MOD Single : A 568 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0518) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.968) USER MOD Single : A 574 CYS SG : rot 64:sc= -4.14! USER MOD Single : A 575 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.016) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 1.17 K(o=1.2,f=-1.1) USER MOD Single : A 585 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 589 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 594 HIS : no HD1:sc=-0.00671 X(o=-0.0067,f=-0.33) USER MOD Single : A 595 LYS NZ :NH3+ 173:sc= 1.75 (180deg=1.62) USER MOD Single : A 597 LYS NZ :NH3+ 160:sc= 1.18 (180deg=1.12) USER MOD Single : A 601 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 603 CYS SG : rot -83:sc= -2.39! USER MOD Single : A 604 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.24) USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N ALA A 538 -12.978 0.054 -6.950 1.00 0.00 N ATOM 13 CA ALA A 538 -11.818 0.686 -6.327 1.00 0.00 C ATOM 14 C ALA A 538 -10.962 -0.333 -5.585 1.00 0.00 C ATOM 15 O ALA A 538 -9.800 -0.073 -5.289 1.00 0.00 O ATOM 16 CB ALA A 538 -12.256 1.790 -5.375 1.00 0.00 C ATOM 0 HA ALA A 538 -11.214 1.123 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.378 2.249 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.815 2.545 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -12.889 1.368 -4.595 1.00 0.00 H new ATOM 22 N LYS A 539 -11.530 -1.499 -5.304 1.00 0.00 N ATOM 23 CA LYS A 539 -10.812 -2.521 -4.559 1.00 0.00 C ATOM 24 C LYS A 539 -9.641 -3.060 -5.373 1.00 0.00 C ATOM 25 O LYS A 539 -8.557 -3.291 -4.839 1.00 0.00 O ATOM 26 CB LYS A 539 -11.744 -3.657 -4.148 1.00 0.00 C ATOM 27 CG LYS A 539 -11.122 -4.584 -3.121 1.00 0.00 C ATOM 28 CD LYS A 539 -10.703 -5.897 -3.739 1.00 0.00 C ATOM 29 CE LYS A 539 -9.646 -6.569 -2.888 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.219 -7.877 -3.446 1.00 0.00 N ATOM 0 H LYS A 539 -12.478 -1.758 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.419 -2.060 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.664 -3.237 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.019 -4.233 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -10.255 -4.100 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -11.836 -4.770 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.569 -6.552 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.315 -5.726 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -8.780 -5.913 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -10.034 -6.716 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -8.448 -8.266 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.023 -8.536 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -8.886 -7.746 -4.423 1.00 0.00 H new ATOM 44 N ASN A 540 -9.860 -3.238 -6.670 1.00 0.00 N ATOM 45 CA ASN A 540 -8.812 -3.720 -7.560 1.00 0.00 C ATOM 46 C ASN A 540 -7.681 -2.710 -7.633 1.00 0.00 C ATOM 47 O ASN A 540 -6.512 -3.072 -7.526 1.00 0.00 O ATOM 48 CB ASN A 540 -9.368 -4.001 -8.958 1.00 0.00 C ATOM 49 CG ASN A 540 -9.505 -5.487 -9.237 1.00 0.00 C ATOM 50 OD1 ASN A 540 -8.596 -6.115 -9.782 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.629 -6.064 -8.846 1.00 0.00 N ATOM 0 H ASN A 540 -10.753 -3.056 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.424 -4.655 -7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.342 -3.523 -9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.712 -3.553 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -10.767 -7.064 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.358 -5.509 -8.398 1.00 0.00 H new ATOM 58 N ALA A 541 -8.039 -1.439 -7.795 1.00 0.00 N ATOM 59 CA ALA A 541 -7.060 -0.361 -7.804 1.00 0.00 C ATOM 60 C ALA A 541 -6.299 -0.317 -6.487 1.00 0.00 C ATOM 61 O ALA A 541 -5.075 -0.214 -6.471 1.00 0.00 O ATOM 62 CB ALA A 541 -7.740 0.976 -8.052 1.00 0.00 C ATOM 0 H ALA A 541 -9.003 -1.132 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.354 -0.553 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.993 1.769 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.248 0.952 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.467 1.166 -7.263 1.00 0.00 H new ATOM 68 N LEU A 542 -7.035 -0.426 -5.388 1.00 0.00 N ATOM 69 CA LEU A 542 -6.459 -0.299 -4.059 1.00 0.00 C ATOM 70 C LEU A 542 -5.509 -1.444 -3.742 1.00 0.00 C ATOM 71 O LEU A 542 -4.386 -1.220 -3.286 1.00 0.00 O ATOM 72 CB LEU A 542 -7.571 -0.272 -3.015 1.00 0.00 C ATOM 73 CG LEU A 542 -7.476 0.860 -1.999 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.164 0.803 -1.236 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.612 2.191 -2.700 1.00 0.00 C ATOM 0 H LEU A 542 -8.039 -0.603 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.892 0.632 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.529 -0.199 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.569 -1.221 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.288 0.745 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.124 1.623 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.092 -0.147 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.332 0.892 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.543 2.996 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.814 2.299 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.577 2.240 -3.204 1.00 0.00 H new ATOM 87 N GLU A 543 -5.950 -2.669 -3.989 1.00 0.00 N ATOM 88 CA GLU A 543 -5.160 -3.824 -3.648 1.00 0.00 C ATOM 89 C GLU A 543 -3.932 -3.897 -4.536 1.00 0.00 C ATOM 90 O GLU A 543 -2.838 -4.182 -4.064 1.00 0.00 O ATOM 91 CB GLU A 543 -5.990 -5.097 -3.760 1.00 0.00 C ATOM 92 CG GLU A 543 -5.416 -6.239 -2.946 1.00 0.00 C ATOM 93 CD GLU A 543 -6.063 -7.572 -3.256 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.873 -8.087 -4.379 1.00 0.00 O ATOM 95 OE2 GLU A 543 -6.801 -8.093 -2.392 1.00 0.00 O ATOM 0 H GLU A 543 -6.849 -2.880 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.832 -3.730 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.008 -4.894 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.051 -5.396 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.345 -6.309 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.540 -6.020 -1.885 1.00 0.00 H new ATOM 102 N SER A 544 -4.114 -3.601 -5.818 1.00 0.00 N ATOM 103 CA SER A 544 -2.997 -3.573 -6.748 1.00 0.00 C ATOM 104 C SER A 544 -2.037 -2.444 -6.386 1.00 0.00 C ATOM 105 O SER A 544 -0.831 -2.591 -6.511 1.00 0.00 O ATOM 106 CB SER A 544 -3.493 -3.411 -8.187 1.00 0.00 C ATOM 107 OG SER A 544 -4.407 -4.442 -8.523 1.00 0.00 O ATOM 0 H SER A 544 -5.019 -3.379 -6.233 1.00 0.00 H new ATOM 0 HA SER A 544 -2.465 -4.522 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 544 -3.974 -2.440 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.646 -3.432 -8.873 1.00 0.00 H new ATOM 0 HG SER A 544 -5.313 -4.174 -8.262 1.00 0.00 H new ATOM 113 N TYR A 545 -2.582 -1.328 -5.909 1.00 0.00 N ATOM 114 CA TYR A 545 -1.768 -0.197 -5.483 1.00 0.00 C ATOM 115 C TYR A 545 -0.887 -0.614 -4.314 1.00 0.00 C ATOM 116 O TYR A 545 0.324 -0.390 -4.323 1.00 0.00 O ATOM 117 CB TYR A 545 -2.673 0.971 -5.057 1.00 0.00 C ATOM 118 CG TYR A 545 -1.983 2.316 -5.029 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.948 2.565 -4.145 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.375 3.334 -5.887 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.315 3.790 -4.113 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.749 4.565 -5.864 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.717 4.789 -4.977 1.00 0.00 C ATOM 124 OH TYR A 545 -0.089 6.015 -4.954 1.00 0.00 O ATOM 0 H TYR A 545 -3.587 -1.184 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.140 0.124 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.521 1.025 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.074 0.761 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.630 1.786 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.182 3.161 -6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.491 3.967 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.066 5.348 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.755 6.726 -5.062 1.00 0.00 H new ATOM 134 N ALA A 546 -1.502 -1.239 -3.315 1.00 0.00 N ATOM 135 CA ALA A 546 -0.776 -1.704 -2.146 1.00 0.00 C ATOM 136 C ALA A 546 0.192 -2.816 -2.525 1.00 0.00 C ATOM 137 O ALA A 546 1.336 -2.843 -2.068 1.00 0.00 O ATOM 138 CB ALA A 546 -1.748 -2.159 -1.068 1.00 0.00 C ATOM 0 H ALA A 546 -2.503 -1.434 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.190 -0.877 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.190 -2.505 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.389 -1.325 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.362 -2.973 -1.452 1.00 0.00 H new ATOM 144 N PHE A 547 -0.267 -3.726 -3.378 1.00 0.00 N ATOM 145 CA PHE A 547 0.584 -4.780 -3.913 1.00 0.00 C ATOM 146 C PHE A 547 1.788 -4.180 -4.627 1.00 0.00 C ATOM 147 O PHE A 547 2.905 -4.660 -4.483 1.00 0.00 O ATOM 148 CB PHE A 547 -0.194 -5.659 -4.891 1.00 0.00 C ATOM 149 CG PHE A 547 -0.660 -6.966 -4.314 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.726 -7.014 -3.435 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.035 -8.152 -4.667 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.162 -8.216 -2.914 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.464 -9.357 -4.148 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.530 -9.389 -3.271 1.00 0.00 C ATOM 0 H PHE A 547 -1.230 -3.753 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 547 0.925 -5.391 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.061 -5.104 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.435 -5.862 -5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.225 -6.099 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.797 -8.133 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.996 -8.238 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.034 -10.274 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.868 -10.331 -2.865 1.00 0.00 H new ATOM 164 N ASN A 548 1.542 -3.122 -5.386 1.00 0.00 N ATOM 165 CA ASN A 548 2.586 -2.445 -6.146 1.00 0.00 C ATOM 166 C ASN A 548 3.681 -1.897 -5.243 1.00 0.00 C ATOM 167 O ASN A 548 4.862 -2.142 -5.478 1.00 0.00 O ATOM 168 CB ASN A 548 1.981 -1.313 -6.983 1.00 0.00 C ATOM 169 CG ASN A 548 1.457 -1.795 -8.319 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.972 -2.753 -8.890 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.432 -1.131 -8.830 1.00 0.00 N ATOM 0 H ASN A 548 0.616 -2.708 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 548 3.041 -3.183 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.169 -0.847 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.736 -0.545 -7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.041 -1.410 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.033 -0.341 -8.324 1.00 0.00 H new ATOM 178 N MET A 549 3.294 -1.166 -4.204 1.00 0.00 N ATOM 179 CA MET A 549 4.267 -0.568 -3.299 1.00 0.00 C ATOM 180 C MET A 549 4.999 -1.656 -2.529 1.00 0.00 C ATOM 181 O MET A 549 6.217 -1.612 -2.361 1.00 0.00 O ATOM 182 CB MET A 549 3.559 0.373 -2.333 1.00 0.00 C ATOM 183 CG MET A 549 2.635 1.378 -3.007 1.00 0.00 C ATOM 184 SD MET A 549 3.502 2.622 -3.989 1.00 0.00 S ATOM 185 CE MET A 549 3.738 1.757 -5.535 1.00 0.00 C ATOM 0 H MET A 549 2.320 -0.974 -3.969 1.00 0.00 H new ATOM 0 HA MET A 549 4.994 -0.000 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.979 -0.219 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.308 0.915 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.938 0.842 -3.651 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.041 1.881 -2.243 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.694 2.468 -6.360 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.710 1.264 -5.532 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.953 1.010 -5.658 1.00 0.00 H new ATOM 195 N LYS A 550 4.229 -2.630 -2.074 1.00 0.00 N ATOM 196 CA LYS A 550 4.758 -3.794 -1.382 1.00 0.00 C ATOM 197 C LYS A 550 5.752 -4.556 -2.258 1.00 0.00 C ATOM 198 O LYS A 550 6.860 -4.867 -1.828 1.00 0.00 O ATOM 199 CB LYS A 550 3.583 -4.682 -0.960 1.00 0.00 C ATOM 200 CG LYS A 550 3.926 -6.124 -0.649 1.00 0.00 C ATOM 201 CD LYS A 550 2.821 -6.753 0.181 1.00 0.00 C ATOM 202 CE LYS A 550 2.986 -6.421 1.656 1.00 0.00 C ATOM 203 NZ LYS A 550 3.693 -7.509 2.374 1.00 0.00 N ATOM 0 H LYS A 550 3.214 -2.636 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 550 5.308 -3.476 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.117 -4.241 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.838 -4.669 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.059 -6.683 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.871 -6.173 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.852 -6.397 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.831 -7.834 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.543 -5.490 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.007 -6.260 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.001 -7.167 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.051 -8.318 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.523 -7.807 1.823 1.00 0.00 H new ATOM 217 N SER A 551 5.361 -4.820 -3.493 1.00 0.00 N ATOM 218 CA SER A 551 6.205 -5.545 -4.429 1.00 0.00 C ATOM 219 C SER A 551 7.449 -4.730 -4.769 1.00 0.00 C ATOM 220 O SER A 551 8.516 -5.290 -4.960 1.00 0.00 O ATOM 221 CB SER A 551 5.423 -5.874 -5.704 1.00 0.00 C ATOM 222 OG SER A 551 6.032 -6.928 -6.438 1.00 0.00 O ATOM 0 H SER A 551 4.457 -4.541 -3.874 1.00 0.00 H new ATOM 0 HA SER A 551 6.519 -6.477 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.403 -6.155 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.358 -4.985 -6.331 1.00 0.00 H new ATOM 0 HG SER A 551 5.506 -7.112 -7.244 1.00 0.00 H new ATOM 228 N ALA A 552 7.300 -3.411 -4.847 1.00 0.00 N ATOM 229 CA ALA A 552 8.410 -2.531 -5.202 1.00 0.00 C ATOM 230 C ALA A 552 9.525 -2.567 -4.158 1.00 0.00 C ATOM 231 O ALA A 552 10.699 -2.679 -4.495 1.00 0.00 O ATOM 232 CB ALA A 552 7.914 -1.110 -5.391 1.00 0.00 C ATOM 0 H ALA A 552 6.420 -2.927 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 552 8.828 -2.895 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.752 -0.464 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.172 -1.087 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.462 -0.756 -4.465 1.00 0.00 H new ATOM 238 N VAL A 553 9.158 -2.485 -2.890 1.00 0.00 N ATOM 239 CA VAL A 553 10.145 -2.494 -1.812 1.00 0.00 C ATOM 240 C VAL A 553 10.675 -3.900 -1.559 1.00 0.00 C ATOM 241 O VAL A 553 11.824 -4.090 -1.159 1.00 0.00 O ATOM 242 CB VAL A 553 9.551 -1.932 -0.514 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.114 -0.502 -0.744 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.386 -2.782 -0.030 1.00 0.00 C ATOM 0 H VAL A 553 8.190 -2.412 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 553 10.971 -1.858 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 553 10.314 -1.955 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.691 -0.098 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.974 0.098 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.362 -0.474 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.985 -2.359 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.606 -2.798 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.731 -3.799 0.157 1.00 0.00 H new ATOM 254 N GLU A 554 9.812 -4.874 -1.762 1.00 0.00 N ATOM 255 CA GLU A 554 10.164 -6.270 -1.599 1.00 0.00 C ATOM 256 C GLU A 554 10.706 -6.873 -2.895 1.00 0.00 C ATOM 257 O GLU A 554 10.993 -8.070 -2.971 1.00 0.00 O ATOM 258 CB GLU A 554 8.940 -7.020 -1.102 1.00 0.00 C ATOM 259 CG GLU A 554 9.020 -7.371 0.366 1.00 0.00 C ATOM 260 CD GLU A 554 9.968 -8.515 0.643 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.188 -8.272 0.737 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.501 -9.664 0.772 1.00 0.00 O ATOM 0 H GLU A 554 8.844 -4.720 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 554 10.967 -6.357 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.052 -6.412 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.820 -7.934 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.342 -6.494 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.026 -7.633 0.727 1.00 0.00 H new ATOM 269 N ASP A 555 10.854 -6.032 -3.904 1.00 0.00 N ATOM 270 CA ASP A 555 11.418 -6.440 -5.190 1.00 0.00 C ATOM 271 C ASP A 555 12.877 -6.848 -5.029 1.00 0.00 C ATOM 272 O ASP A 555 13.639 -6.200 -4.309 1.00 0.00 O ATOM 273 CB ASP A 555 11.309 -5.290 -6.193 1.00 0.00 C ATOM 274 CG ASP A 555 11.763 -5.662 -7.588 1.00 0.00 C ATOM 275 OD1 ASP A 555 10.922 -6.117 -8.391 1.00 0.00 O ATOM 276 OD2 ASP A 555 12.957 -5.488 -7.890 1.00 0.00 O ATOM 0 H ASP A 555 10.589 -5.048 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 555 10.855 -7.297 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.274 -4.951 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.905 -4.450 -5.837 1.00 0.00 H new ATOM 281 N GLU A 556 13.255 -7.935 -5.687 1.00 0.00 N ATOM 282 CA GLU A 556 14.602 -8.473 -5.575 1.00 0.00 C ATOM 283 C GLU A 556 15.635 -7.599 -6.281 1.00 0.00 C ATOM 284 O GLU A 556 16.837 -7.786 -6.094 1.00 0.00 O ATOM 285 CB GLU A 556 14.684 -9.901 -6.113 1.00 0.00 C ATOM 286 CG GLU A 556 14.176 -10.078 -7.536 1.00 0.00 C ATOM 287 CD GLU A 556 12.683 -10.340 -7.604 1.00 0.00 C ATOM 288 OE1 GLU A 556 11.896 -9.377 -7.479 1.00 0.00 O ATOM 289 OE2 GLU A 556 12.290 -11.509 -7.778 1.00 0.00 O ATOM 0 H GLU A 556 12.643 -8.464 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 556 14.835 -8.483 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 556 15.722 -10.232 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.113 -10.555 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 556 14.409 -9.183 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.707 -10.907 -8.005 1.00 0.00 H new ATOM 296 N GLY A 557 15.185 -6.664 -7.097 1.00 0.00 N ATOM 297 CA GLY A 557 16.115 -5.783 -7.768 1.00 0.00 C ATOM 298 C GLY A 557 16.174 -4.428 -7.105 1.00 0.00 C ATOM 299 O GLY A 557 17.157 -3.697 -7.236 1.00 0.00 O ATOM 0 H GLY A 557 14.201 -6.498 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.108 -6.233 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.819 -5.666 -8.810 1.00 0.00 H new ATOM 303 N LEU A 558 15.110 -4.091 -6.400 1.00 0.00 N ATOM 304 CA LEU A 558 15.043 -2.842 -5.665 1.00 0.00 C ATOM 305 C LEU A 558 15.499 -3.024 -4.223 1.00 0.00 C ATOM 306 O LEU A 558 15.555 -2.063 -3.453 1.00 0.00 O ATOM 307 CB LEU A 558 13.628 -2.280 -5.711 1.00 0.00 C ATOM 308 CG LEU A 558 13.305 -1.466 -6.967 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.805 -1.372 -7.174 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.909 -0.074 -6.865 1.00 0.00 C ATOM 0 H LEU A 558 14.274 -4.670 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 558 15.720 -2.132 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.921 -3.106 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.473 -1.649 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 558 13.741 -1.976 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.597 -0.790 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.390 -2.373 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.349 -0.885 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.671 0.493 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.498 0.438 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.991 -0.154 -6.762 1.00 0.00 H new ATOM 322 N LYS A 559 15.821 -4.258 -3.852 1.00 0.00 N ATOM 323 CA LYS A 559 16.381 -4.513 -2.535 1.00 0.00 C ATOM 324 C LYS A 559 17.782 -3.916 -2.459 1.00 0.00 C ATOM 325 O LYS A 559 18.663 -4.246 -3.254 1.00 0.00 O ATOM 326 CB LYS A 559 16.377 -6.017 -2.192 1.00 0.00 C ATOM 327 CG LYS A 559 17.100 -6.912 -3.192 1.00 0.00 C ATOM 328 CD LYS A 559 16.980 -8.386 -2.815 1.00 0.00 C ATOM 329 CE LYS A 559 17.565 -8.687 -1.441 1.00 0.00 C ATOM 330 NZ LYS A 559 19.047 -8.589 -1.419 1.00 0.00 N ATOM 0 H LYS A 559 15.705 -5.086 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 559 15.753 -4.031 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.834 -6.151 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.343 -6.352 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.685 -6.755 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 559 18.152 -6.632 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 559 15.930 -8.677 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 559 17.490 -8.992 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 559 17.147 -7.992 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 559 17.266 -9.689 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 19.395 -8.803 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 19.450 -9.270 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 19.335 -7.626 -1.685 1.00 0.00 H new ATOM 344 N GLY A 560 17.971 -3.007 -1.519 1.00 0.00 N ATOM 345 CA GLY A 560 19.205 -2.252 -1.452 1.00 0.00 C ATOM 346 C GLY A 560 18.983 -0.807 -1.849 1.00 0.00 C ATOM 347 O GLY A 560 19.625 0.100 -1.319 1.00 0.00 O ATOM 0 H GLY A 560 17.289 -2.776 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.608 -2.297 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.947 -2.703 -2.110 1.00 0.00 H new ATOM 351 N LYS A 561 18.060 -0.600 -2.783 1.00 0.00 N ATOM 352 CA LYS A 561 17.679 0.737 -3.229 1.00 0.00 C ATOM 353 C LYS A 561 17.003 1.509 -2.108 1.00 0.00 C ATOM 354 O LYS A 561 17.311 2.671 -1.857 1.00 0.00 O ATOM 355 CB LYS A 561 16.714 0.638 -4.409 1.00 0.00 C ATOM 356 CG LYS A 561 17.378 0.385 -5.748 1.00 0.00 C ATOM 357 CD LYS A 561 17.566 1.678 -6.511 1.00 0.00 C ATOM 358 CE LYS A 561 18.218 1.433 -7.850 1.00 0.00 C ATOM 359 NZ LYS A 561 18.147 2.632 -8.722 1.00 0.00 N ATOM 0 H LYS A 561 17.556 -1.352 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 561 18.585 1.262 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 561 16.003 -0.165 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.141 1.563 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.345 -0.095 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.770 -0.303 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 561 16.600 2.161 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 561 18.179 2.363 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 561 19.261 1.152 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 561 17.729 0.594 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 18.605 2.426 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 17.151 2.885 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 18.635 3.426 -8.261 1.00 0.00 H new ATOM 373 N ILE A 562 16.081 0.842 -1.438 1.00 0.00 N ATOM 374 CA ILE A 562 15.298 1.461 -0.390 1.00 0.00 C ATOM 375 C ILE A 562 15.772 0.978 0.974 1.00 0.00 C ATOM 376 O ILE A 562 16.228 -0.160 1.114 1.00 0.00 O ATOM 377 CB ILE A 562 13.802 1.137 -0.573 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.957 2.043 0.304 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.497 -0.322 -0.258 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.502 1.660 0.308 1.00 0.00 C ATOM 0 H ILE A 562 15.856 -0.139 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 562 15.432 2.541 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 562 13.554 1.312 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.339 2.012 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 562 13.056 3.072 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.433 -0.510 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 562 14.071 -0.966 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.769 -0.536 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.948 2.343 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 562 11.108 1.718 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.395 0.642 0.682 1.00 0.00 H new ATOM 392 N SER A 563 15.685 1.842 1.972 1.00 0.00 N ATOM 393 CA SER A 563 16.047 1.464 3.317 1.00 0.00 C ATOM 394 C SER A 563 14.976 0.543 3.862 1.00 0.00 C ATOM 395 O SER A 563 13.798 0.660 3.511 1.00 0.00 O ATOM 396 CB SER A 563 16.195 2.698 4.207 1.00 0.00 C ATOM 397 OG SER A 563 16.636 2.341 5.508 1.00 0.00 O ATOM 0 H SER A 563 15.367 2.806 1.871 1.00 0.00 H new ATOM 0 HA SER A 563 17.008 0.950 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.905 3.392 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 563 15.240 3.219 4.274 1.00 0.00 H new ATOM 0 HG SER A 563 16.724 3.148 6.057 1.00 0.00 H new ATOM 403 N GLU A 564 15.392 -0.379 4.714 1.00 0.00 N ATOM 404 CA GLU A 564 14.496 -1.389 5.239 1.00 0.00 C ATOM 405 C GLU A 564 13.358 -0.770 6.026 1.00 0.00 C ATOM 406 O GLU A 564 12.270 -1.310 6.049 1.00 0.00 O ATOM 407 CB GLU A 564 15.256 -2.387 6.093 1.00 0.00 C ATOM 408 CG GLU A 564 16.186 -1.746 7.092 1.00 0.00 C ATOM 409 CD GLU A 564 16.971 -2.777 7.866 1.00 0.00 C ATOM 410 OE1 GLU A 564 17.902 -3.377 7.286 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.645 -3.012 9.044 1.00 0.00 O ATOM 0 H GLU A 564 16.350 -0.447 5.057 1.00 0.00 H new ATOM 0 HA GLU A 564 14.061 -1.917 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 564 14.541 -3.014 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 564 15.833 -3.044 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 564 16.874 -1.079 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 564 15.609 -1.133 7.784 1.00 0.00 H new ATOM 418 N ALA A 565 13.620 0.361 6.663 1.00 0.00 N ATOM 419 CA ALA A 565 12.582 1.062 7.411 1.00 0.00 C ATOM 420 C ALA A 565 11.447 1.502 6.491 1.00 0.00 C ATOM 421 O ALA A 565 10.273 1.335 6.822 1.00 0.00 O ATOM 422 CB ALA A 565 13.153 2.268 8.134 1.00 0.00 C ATOM 0 H ALA A 565 14.535 0.812 6.679 1.00 0.00 H new ATOM 0 HA ALA A 565 12.185 0.366 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.358 2.773 8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.926 1.942 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.585 2.956 7.408 1.00 0.00 H new ATOM 428 N ASP A 566 11.798 2.039 5.324 1.00 0.00 N ATOM 429 CA ASP A 566 10.795 2.471 4.356 1.00 0.00 C ATOM 430 C ASP A 566 10.072 1.252 3.804 1.00 0.00 C ATOM 431 O ASP A 566 8.845 1.217 3.715 1.00 0.00 O ATOM 432 CB ASP A 566 11.441 3.241 3.202 1.00 0.00 C ATOM 433 CG ASP A 566 12.233 4.455 3.649 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.635 5.537 3.821 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.465 4.338 3.806 1.00 0.00 O ATOM 0 H ASP A 566 12.763 2.184 5.028 1.00 0.00 H new ATOM 0 HA ASP A 566 10.090 3.132 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.101 2.569 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.663 3.561 2.509 1.00 0.00 H new ATOM 440 N LYS A 567 10.868 0.255 3.440 1.00 0.00 N ATOM 441 CA LYS A 567 10.370 -1.033 2.980 1.00 0.00 C ATOM 442 C LYS A 567 9.403 -1.648 3.998 1.00 0.00 C ATOM 443 O LYS A 567 8.303 -2.066 3.650 1.00 0.00 O ATOM 444 CB LYS A 567 11.576 -1.951 2.792 1.00 0.00 C ATOM 445 CG LYS A 567 11.248 -3.361 2.358 1.00 0.00 C ATOM 446 CD LYS A 567 12.357 -4.310 2.778 1.00 0.00 C ATOM 447 CE LYS A 567 12.091 -5.726 2.312 1.00 0.00 C ATOM 448 NZ LYS A 567 12.460 -5.918 0.885 1.00 0.00 N ATOM 0 H LYS A 567 11.886 0.319 3.456 1.00 0.00 H new ATOM 0 HA LYS A 567 9.824 -0.905 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.240 -1.505 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.129 -1.996 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.303 -3.675 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 567 11.120 -3.396 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.306 -3.964 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.455 -4.297 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.656 -6.424 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.036 -5.961 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 12.066 -6.818 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 12.077 -5.134 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.496 -5.937 0.794 1.00 0.00 H new ATOM 462 N LYS A 568 9.817 -1.668 5.258 1.00 0.00 N ATOM 463 CA LYS A 568 9.023 -2.251 6.334 1.00 0.00 C ATOM 464 C LYS A 568 7.714 -1.506 6.527 1.00 0.00 C ATOM 465 O LYS A 568 6.651 -2.123 6.621 1.00 0.00 O ATOM 466 CB LYS A 568 9.800 -2.241 7.652 1.00 0.00 C ATOM 467 CG LYS A 568 10.874 -3.310 7.748 1.00 0.00 C ATOM 468 CD LYS A 568 11.687 -3.168 9.024 1.00 0.00 C ATOM 469 CE LYS A 568 10.810 -3.211 10.268 1.00 0.00 C ATOM 470 NZ LYS A 568 10.077 -4.498 10.395 1.00 0.00 N ATOM 0 H LYS A 568 10.710 -1.282 5.564 1.00 0.00 H new ATOM 0 HA LYS A 568 8.805 -3.279 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.264 -1.263 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.098 -2.371 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.411 -4.296 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.535 -3.242 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.426 -3.968 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.237 -2.227 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.429 -3.059 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.095 -2.389 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 9.560 -4.515 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.404 -4.593 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 10.754 -5.287 10.369 1.00 0.00 H new ATOM 484 N LYS A 569 7.794 -0.181 6.587 1.00 0.00 N ATOM 485 CA LYS A 569 6.630 0.630 6.888 1.00 0.00 C ATOM 486 C LYS A 569 5.582 0.475 5.791 1.00 0.00 C ATOM 487 O LYS A 569 4.397 0.296 6.076 1.00 0.00 O ATOM 488 CB LYS A 569 7.028 2.107 7.080 1.00 0.00 C ATOM 489 CG LYS A 569 7.193 2.899 5.795 1.00 0.00 C ATOM 490 CD LYS A 569 7.514 4.354 6.087 1.00 0.00 C ATOM 491 CE LYS A 569 6.322 5.078 6.687 1.00 0.00 C ATOM 492 NZ LYS A 569 6.642 6.488 7.039 1.00 0.00 N ATOM 0 H LYS A 569 8.652 0.349 6.431 1.00 0.00 H new ATOM 0 HA LYS A 569 6.194 0.283 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.272 2.595 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.965 2.146 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.990 2.461 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.278 2.836 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.359 4.410 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 569 7.818 4.852 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.494 5.061 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.989 4.549 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.800 6.944 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.415 6.505 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 6.935 7.001 6.183 1.00 0.00 H new ATOM 506 N VAL A 570 6.020 0.518 4.537 1.00 0.00 N ATOM 507 CA VAL A 570 5.101 0.400 3.426 1.00 0.00 C ATOM 508 C VAL A 570 4.544 -1.022 3.314 1.00 0.00 C ATOM 509 O VAL A 570 3.357 -1.194 3.081 1.00 0.00 O ATOM 510 CB VAL A 570 5.732 0.854 2.091 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.842 -0.077 1.665 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.668 0.959 1.011 1.00 0.00 C ATOM 0 H VAL A 570 6.998 0.633 4.272 1.00 0.00 H new ATOM 0 HA VAL A 570 4.271 1.075 3.633 1.00 0.00 H new ATOM 0 HB VAL A 570 6.170 1.841 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.266 0.269 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.619 -0.090 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.443 -1.083 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.128 1.280 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.197 -0.014 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.914 1.686 1.312 1.00 0.00 H new ATOM 522 N LEU A 571 5.390 -2.040 3.505 1.00 0.00 N ATOM 523 CA LEU A 571 4.932 -3.432 3.466 1.00 0.00 C ATOM 524 C LEU A 571 3.880 -3.674 4.541 1.00 0.00 C ATOM 525 O LEU A 571 2.836 -4.279 4.283 1.00 0.00 O ATOM 526 CB LEU A 571 6.094 -4.411 3.685 1.00 0.00 C ATOM 527 CG LEU A 571 7.065 -4.601 2.522 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.365 -5.201 3.028 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.463 -5.507 1.463 1.00 0.00 C ATOM 0 H LEU A 571 6.387 -1.928 3.687 1.00 0.00 H new ATOM 0 HA LEU A 571 4.504 -3.605 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.664 -4.073 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.674 -5.384 3.939 1.00 0.00 H new ATOM 0 HG LEU A 571 7.263 -3.627 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.053 -5.334 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.812 -4.533 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.164 -6.167 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.171 -5.629 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.242 -6.481 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.543 -5.062 1.084 1.00 0.00 H new ATOM 541 N ASP A 572 4.171 -3.193 5.746 1.00 0.00 N ATOM 542 CA ASP A 572 3.270 -3.331 6.887 1.00 0.00 C ATOM 543 C ASP A 572 1.936 -2.656 6.604 1.00 0.00 C ATOM 544 O ASP A 572 0.868 -3.235 6.818 1.00 0.00 O ATOM 545 CB ASP A 572 3.906 -2.703 8.130 1.00 0.00 C ATOM 546 CG ASP A 572 3.031 -2.817 9.362 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.887 -3.941 9.892 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.506 -1.783 9.822 1.00 0.00 O ATOM 0 H ASP A 572 5.036 -2.697 5.959 1.00 0.00 H new ATOM 0 HA ASP A 572 3.096 -4.393 7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.864 -3.185 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.113 -1.651 7.934 1.00 0.00 H new ATOM 553 N LYS A 573 2.021 -1.435 6.104 1.00 0.00 N ATOM 554 CA LYS A 573 0.854 -0.648 5.754 1.00 0.00 C ATOM 555 C LYS A 573 0.098 -1.277 4.584 1.00 0.00 C ATOM 556 O LYS A 573 -1.132 -1.298 4.571 1.00 0.00 O ATOM 557 CB LYS A 573 1.304 0.775 5.428 1.00 0.00 C ATOM 558 CG LYS A 573 0.264 1.621 4.726 1.00 0.00 C ATOM 559 CD LYS A 573 -1.018 1.723 5.510 1.00 0.00 C ATOM 560 CE LYS A 573 -1.990 2.654 4.827 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.306 2.658 5.519 1.00 0.00 N ATOM 0 H LYS A 573 2.907 -0.961 5.929 1.00 0.00 H new ATOM 0 HA LYS A 573 0.163 -0.622 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.592 1.272 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.195 0.726 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.665 2.621 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.054 1.194 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.466 0.735 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.807 2.085 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.581 3.664 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.123 2.348 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -4.046 2.967 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.523 1.699 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.271 3.311 6.328 1.00 0.00 H new ATOM 575 N CYS A 574 0.833 -1.797 3.610 1.00 0.00 N ATOM 576 CA CYS A 574 0.225 -2.479 2.479 1.00 0.00 C ATOM 577 C CYS A 574 -0.542 -3.710 2.959 1.00 0.00 C ATOM 578 O CYS A 574 -1.610 -4.031 2.449 1.00 0.00 O ATOM 579 CB CYS A 574 1.286 -2.864 1.445 1.00 0.00 C ATOM 580 SG CYS A 574 2.007 -1.451 0.578 1.00 0.00 S ATOM 0 H CYS A 574 1.852 -1.759 3.582 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.479 -1.800 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.082 -3.417 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.840 -3.538 0.714 1.00 0.00 H new ATOM 0 HG CYS A 574 2.643 -0.699 1.427 1.00 0.00 H new ATOM 586 N GLN A 575 0.012 -4.391 3.947 1.00 0.00 N ATOM 587 CA GLN A 575 -0.651 -5.531 4.564 1.00 0.00 C ATOM 588 C GLN A 575 -1.919 -5.103 5.300 1.00 0.00 C ATOM 589 O GLN A 575 -2.917 -5.827 5.306 1.00 0.00 O ATOM 590 CB GLN A 575 0.311 -6.217 5.526 1.00 0.00 C ATOM 591 CG GLN A 575 0.923 -7.490 4.967 1.00 0.00 C ATOM 592 CD GLN A 575 -0.055 -8.644 4.954 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.132 -9.413 5.910 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.810 -8.774 3.876 1.00 0.00 N ATOM 0 H GLN A 575 0.926 -4.173 4.343 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.943 -6.229 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.110 -5.522 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.218 -6.453 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.276 -7.305 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.794 -7.763 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.715 -8.114 3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.487 -9.534 3.816 1.00 0.00 H new ATOM 603 N GLU A 576 -1.870 -3.929 5.920 1.00 0.00 N ATOM 604 CA GLU A 576 -3.032 -3.359 6.601 1.00 0.00 C ATOM 605 C GLU A 576 -4.187 -3.177 5.627 1.00 0.00 C ATOM 606 O GLU A 576 -5.283 -3.703 5.836 1.00 0.00 O ATOM 607 CB GLU A 576 -2.677 -2.019 7.236 1.00 0.00 C ATOM 608 CG GLU A 576 -3.835 -1.385 7.989 1.00 0.00 C ATOM 609 CD GLU A 576 -4.573 -0.323 7.185 1.00 0.00 C ATOM 610 OE1 GLU A 576 -3.993 0.229 6.228 1.00 0.00 O ATOM 611 OE2 GLU A 576 -5.742 -0.022 7.519 1.00 0.00 O ATOM 0 H GLU A 576 -1.033 -3.348 5.966 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.337 -4.052 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.841 -2.160 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.340 -1.334 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.539 -2.164 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.458 -0.937 8.909 1.00 0.00 H new ATOM 618 N VAL A 577 -3.930 -2.445 4.554 1.00 0.00 N ATOM 619 CA VAL A 577 -4.948 -2.178 3.549 1.00 0.00 C ATOM 620 C VAL A 577 -5.379 -3.461 2.841 1.00 0.00 C ATOM 621 O VAL A 577 -6.564 -3.688 2.642 1.00 0.00 O ATOM 622 CB VAL A 577 -4.475 -1.126 2.514 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.024 -1.333 2.147 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.331 -1.172 1.260 1.00 0.00 C ATOM 0 H VAL A 577 -3.022 -2.024 4.356 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.810 -1.767 4.075 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.581 -0.146 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.722 -0.580 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.406 -1.243 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.896 -2.326 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.978 -0.424 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.262 -2.162 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.369 -0.964 1.520 1.00 0.00 H new ATOM 634 N ILE A 578 -4.420 -4.304 2.485 1.00 0.00 N ATOM 635 CA ILE A 578 -4.720 -5.550 1.785 1.00 0.00 C ATOM 636 C ILE A 578 -5.614 -6.473 2.624 1.00 0.00 C ATOM 637 O ILE A 578 -6.527 -7.114 2.092 1.00 0.00 O ATOM 638 CB ILE A 578 -3.419 -6.260 1.344 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.913 -5.616 0.048 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.635 -7.756 1.156 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.491 -5.970 -0.295 1.00 0.00 C ATOM 0 H ILE A 578 -3.428 -4.150 2.668 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.283 -5.298 0.886 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.670 -6.142 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.561 -5.920 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.996 -4.533 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.700 -8.223 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.966 -8.197 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.394 -7.921 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.207 -5.476 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.831 -5.641 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.404 -7.050 -0.417 1.00 0.00 H new ATOM 653 N SER A 579 -5.378 -6.511 3.930 1.00 0.00 N ATOM 654 CA SER A 579 -6.222 -7.290 4.829 1.00 0.00 C ATOM 655 C SER A 579 -7.595 -6.627 4.959 1.00 0.00 C ATOM 656 O SER A 579 -8.620 -7.301 5.083 1.00 0.00 O ATOM 657 CB SER A 579 -5.561 -7.421 6.207 1.00 0.00 C ATOM 658 OG SER A 579 -6.315 -8.263 7.062 1.00 0.00 O ATOM 0 H SER A 579 -4.614 -6.015 4.389 1.00 0.00 H new ATOM 0 HA SER A 579 -6.349 -8.289 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.554 -7.823 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.461 -6.435 6.660 1.00 0.00 H new ATOM 0 HG SER A 579 -5.869 -8.329 7.932 1.00 0.00 H new ATOM 664 N TRP A 580 -7.599 -5.300 4.897 1.00 0.00 N ATOM 665 CA TRP A 580 -8.819 -4.512 4.978 1.00 0.00 C ATOM 666 C TRP A 580 -9.645 -4.715 3.714 1.00 0.00 C ATOM 667 O TRP A 580 -10.866 -4.799 3.760 1.00 0.00 O ATOM 668 CB TRP A 580 -8.454 -3.032 5.159 1.00 0.00 C ATOM 669 CG TRP A 580 -9.623 -2.095 5.162 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.324 -1.662 6.248 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.222 -1.469 4.021 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.321 -0.804 5.852 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.281 -0.672 4.490 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.967 -1.509 2.646 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -12.080 0.080 3.635 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.760 -0.762 1.799 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.808 0.021 2.296 1.00 0.00 C ATOM 0 H TRP A 580 -6.753 -4.741 4.789 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.414 -4.834 5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.912 -2.918 6.098 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.773 -2.739 4.360 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.125 -1.951 7.269 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.984 -0.340 6.473 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -9.163 -2.114 2.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.887 0.689 4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.569 -0.782 0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.415 0.591 1.608 1.00 0.00 H new ATOM 688 N LEU A 581 -8.949 -4.798 2.593 1.00 0.00 N ATOM 689 CA LEU A 581 -9.568 -5.048 1.295 1.00 0.00 C ATOM 690 C LEU A 581 -10.284 -6.383 1.286 1.00 0.00 C ATOM 691 O LEU A 581 -11.385 -6.512 0.756 1.00 0.00 O ATOM 692 CB LEU A 581 -8.500 -5.061 0.219 1.00 0.00 C ATOM 693 CG LEU A 581 -7.840 -3.725 -0.053 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.514 -3.950 -0.738 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.743 -2.869 -0.903 1.00 0.00 C ATOM 0 H LEU A 581 -7.935 -4.694 2.553 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.291 -4.255 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.729 -5.777 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.945 -5.423 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.664 -3.205 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.038 -2.989 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.869 -4.550 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.675 -4.474 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.261 -1.910 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.937 -3.373 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.685 -2.704 -0.381 1.00 0.00 H new ATOM 707 N ASP A 582 -9.630 -7.375 1.864 1.00 0.00 N ATOM 708 CA ASP A 582 -10.192 -8.716 1.971 1.00 0.00 C ATOM 709 C ASP A 582 -11.398 -8.712 2.904 1.00 0.00 C ATOM 710 O ASP A 582 -12.343 -9.479 2.733 1.00 0.00 O ATOM 711 CB ASP A 582 -9.130 -9.687 2.489 1.00 0.00 C ATOM 712 CG ASP A 582 -9.628 -11.113 2.564 1.00 0.00 C ATOM 713 OD1 ASP A 582 -9.786 -11.746 1.497 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.848 -11.612 3.689 1.00 0.00 O ATOM 0 H ASP A 582 -8.700 -7.278 2.271 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.518 -9.040 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.257 -9.645 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.804 -9.368 3.479 1.00 0.00 H new ATOM 719 N ALA A 583 -11.358 -7.820 3.879 1.00 0.00 N ATOM 720 CA ALA A 583 -12.403 -7.724 4.883 1.00 0.00 C ATOM 721 C ALA A 583 -13.572 -6.870 4.394 1.00 0.00 C ATOM 722 O ALA A 583 -14.730 -7.111 4.742 1.00 0.00 O ATOM 723 CB ALA A 583 -11.811 -7.146 6.156 1.00 0.00 C ATOM 0 H ALA A 583 -10.603 -7.144 3.997 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.796 -8.721 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.588 -7.070 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -11.014 -7.797 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.405 -6.155 5.951 1.00 0.00 H new ATOM 729 N ASN A 584 -13.255 -5.886 3.568 1.00 0.00 N ATOM 730 CA ASN A 584 -14.246 -4.959 3.038 1.00 0.00 C ATOM 731 C ASN A 584 -14.212 -4.956 1.518 1.00 0.00 C ATOM 732 O ASN A 584 -14.054 -3.913 0.887 1.00 0.00 O ATOM 733 CB ASN A 584 -13.999 -3.545 3.577 1.00 0.00 C ATOM 734 CG ASN A 584 -14.410 -3.393 5.030 1.00 0.00 C ATOM 735 OD1 ASN A 584 -15.358 -4.031 5.493 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.697 -2.555 5.764 1.00 0.00 N ATOM 0 H ASN A 584 -12.304 -5.706 3.245 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.233 -5.288 3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.942 -3.301 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.551 -2.827 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.925 -2.419 6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.919 -2.045 5.345 1.00 0.00 H new ATOM 743 N THR A 585 -14.363 -6.136 0.933 1.00 0.00 N ATOM 744 CA THR A 585 -14.389 -6.280 -0.515 1.00 0.00 C ATOM 745 C THR A 585 -15.628 -5.611 -1.105 1.00 0.00 C ATOM 746 O THR A 585 -15.676 -5.292 -2.294 1.00 0.00 O ATOM 747 CB THR A 585 -14.385 -7.768 -0.902 1.00 0.00 C ATOM 748 OG1 THR A 585 -14.208 -8.573 0.275 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.275 -8.063 -1.896 1.00 0.00 C ATOM 0 H THR A 585 -14.470 -7.013 1.443 1.00 0.00 H new ATOM 0 HA THR A 585 -13.499 -5.795 -0.916 1.00 0.00 H new ATOM 0 HB THR A 585 -15.340 -8.007 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 585 -14.207 -9.521 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.291 -9.121 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.424 -7.466 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 585 -12.312 -7.813 -1.451 1.00 0.00 H new ATOM 757 N LEU A 586 -16.615 -5.391 -0.248 1.00 0.00 N ATOM 758 CA LEU A 586 -17.897 -4.845 -0.660 1.00 0.00 C ATOM 759 C LEU A 586 -18.001 -3.381 -0.251 1.00 0.00 C ATOM 760 O LEU A 586 -19.069 -2.775 -0.352 1.00 0.00 O ATOM 761 CB LEU A 586 -19.053 -5.638 -0.039 1.00 0.00 C ATOM 762 CG LEU A 586 -19.060 -7.153 -0.299 1.00 0.00 C ATOM 763 CD1 LEU A 586 -18.734 -7.459 -1.748 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.081 -7.865 0.612 1.00 0.00 C ATOM 0 H LEU A 586 -16.548 -5.586 0.751 1.00 0.00 H new ATOM 0 HA LEU A 586 -17.965 -4.922 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.038 -5.476 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -19.990 -5.223 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.065 -7.517 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -18.746 -8.538 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -19.476 -6.991 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -17.745 -7.069 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.106 -8.935 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.075 -7.485 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.357 -7.688 1.652 1.00 0.00 H new ATOM 776 N ALA A 587 -16.894 -2.838 0.249 1.00 0.00 N ATOM 777 CA ALA A 587 -16.838 -1.452 0.704 1.00 0.00 C ATOM 778 C ALA A 587 -17.235 -0.479 -0.403 1.00 0.00 C ATOM 779 O ALA A 587 -17.178 -0.802 -1.592 1.00 0.00 O ATOM 780 CB ALA A 587 -15.439 -1.125 1.203 1.00 0.00 C ATOM 0 H ALA A 587 -16.014 -3.344 0.350 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.553 -1.340 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.406 -0.089 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.185 -1.785 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.722 -1.266 0.394 1.00 0.00 H new ATOM 786 N GLU A 588 -17.643 0.712 -0.004 1.00 0.00 N ATOM 787 CA GLU A 588 -17.994 1.753 -0.953 1.00 0.00 C ATOM 788 C GLU A 588 -16.728 2.422 -1.469 1.00 0.00 C ATOM 789 O GLU A 588 -15.670 2.286 -0.857 1.00 0.00 O ATOM 790 CB GLU A 588 -18.923 2.776 -0.304 1.00 0.00 C ATOM 791 CG GLU A 588 -20.177 2.151 0.280 1.00 0.00 C ATOM 792 CD GLU A 588 -21.221 3.176 0.655 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.181 3.688 1.792 1.00 0.00 O ATOM 794 OE2 GLU A 588 -22.093 3.473 -0.188 1.00 0.00 O ATOM 0 H GLU A 588 -17.740 0.983 0.975 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.523 1.306 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.383 3.300 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.207 3.523 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.601 1.455 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -19.911 1.570 1.163 1.00 0.00 H new ATOM 801 N LYS A 589 -16.831 3.148 -2.576 1.00 0.00 N ATOM 802 CA LYS A 589 -15.644 3.663 -3.257 1.00 0.00 C ATOM 803 C LYS A 589 -14.781 4.518 -2.338 1.00 0.00 C ATOM 804 O LYS A 589 -13.566 4.339 -2.273 1.00 0.00 O ATOM 805 CB LYS A 589 -16.042 4.475 -4.491 1.00 0.00 C ATOM 806 CG LYS A 589 -17.001 5.620 -4.213 1.00 0.00 C ATOM 807 CD LYS A 589 -17.404 6.328 -5.492 1.00 0.00 C ATOM 808 CE LYS A 589 -18.071 7.658 -5.196 1.00 0.00 C ATOM 809 NZ LYS A 589 -19.306 7.505 -4.381 1.00 0.00 N ATOM 0 H LYS A 589 -17.716 3.393 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 589 -15.054 2.799 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.140 4.878 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.499 3.805 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.890 5.238 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.533 6.332 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -16.524 6.490 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.085 5.696 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.369 8.304 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -18.318 8.154 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.761 8.433 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.961 6.857 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -19.060 7.119 -3.447 1.00 0.00 H new ATOM 823 N ASP A 590 -15.417 5.413 -1.602 1.00 0.00 N ATOM 824 CA ASP A 590 -14.703 6.323 -0.711 1.00 0.00 C ATOM 825 C ASP A 590 -13.965 5.581 0.400 1.00 0.00 C ATOM 826 O ASP A 590 -12.956 6.073 0.904 1.00 0.00 O ATOM 827 CB ASP A 590 -15.647 7.366 -0.109 1.00 0.00 C ATOM 828 CG ASP A 590 -16.780 6.755 0.688 1.00 0.00 C ATOM 829 OD1 ASP A 590 -16.574 6.426 1.872 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.893 6.617 0.129 1.00 0.00 O ATOM 0 H ASP A 590 -16.430 5.532 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.959 6.834 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -15.076 8.034 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -16.063 7.976 -0.911 1.00 0.00 H new ATOM 835 N GLU A 591 -14.452 4.402 0.777 1.00 0.00 N ATOM 836 CA GLU A 591 -13.756 3.585 1.766 1.00 0.00 C ATOM 837 C GLU A 591 -12.379 3.219 1.235 1.00 0.00 C ATOM 838 O GLU A 591 -11.362 3.391 1.919 1.00 0.00 O ATOM 839 CB GLU A 591 -14.547 2.312 2.097 1.00 0.00 C ATOM 840 CG GLU A 591 -15.867 2.572 2.804 1.00 0.00 C ATOM 841 CD GLU A 591 -16.514 1.307 3.323 1.00 0.00 C ATOM 842 OE1 GLU A 591 -16.015 0.749 4.323 1.00 0.00 O ATOM 843 OE2 GLU A 591 -17.531 0.867 2.738 1.00 0.00 O ATOM 0 H GLU A 591 -15.315 3.995 0.418 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.658 4.163 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.742 1.767 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.932 1.667 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -15.700 3.256 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.551 3.068 2.115 1.00 0.00 H new ATOM 850 N PHE A 592 -12.355 2.746 -0.005 1.00 0.00 N ATOM 851 CA PHE A 592 -11.107 2.431 -0.676 1.00 0.00 C ATOM 852 C PHE A 592 -10.315 3.703 -0.928 1.00 0.00 C ATOM 853 O PHE A 592 -9.115 3.751 -0.699 1.00 0.00 O ATOM 854 CB PHE A 592 -11.363 1.724 -2.008 1.00 0.00 C ATOM 855 CG PHE A 592 -12.133 0.444 -1.889 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.490 -0.729 -1.549 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.494 0.413 -2.127 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.191 -1.917 -1.442 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.201 -0.767 -2.024 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.549 -1.934 -1.680 1.00 0.00 C ATOM 0 H PHE A 592 -13.190 2.573 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.537 1.764 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.906 2.401 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.405 1.515 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.426 -0.719 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -14.010 1.323 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.676 -2.828 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.264 -0.778 -2.212 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.101 -2.858 -1.597 1.00 0.00 H new ATOM 870 N GLU A 593 -11.007 4.744 -1.367 1.00 0.00 N ATOM 871 CA GLU A 593 -10.366 6.004 -1.725 1.00 0.00 C ATOM 872 C GLU A 593 -9.615 6.613 -0.547 1.00 0.00 C ATOM 873 O GLU A 593 -8.506 7.122 -0.709 1.00 0.00 O ATOM 874 CB GLU A 593 -11.408 6.979 -2.268 1.00 0.00 C ATOM 875 CG GLU A 593 -11.875 6.625 -3.669 1.00 0.00 C ATOM 876 CD GLU A 593 -10.735 6.639 -4.669 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.015 5.627 -4.785 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.542 7.675 -5.338 1.00 0.00 O ATOM 0 H GLU A 593 -12.020 4.742 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.629 5.800 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.267 6.995 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.989 7.985 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.336 5.637 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.643 7.332 -3.985 1.00 0.00 H new ATOM 885 N HIS A 594 -10.202 6.543 0.639 1.00 0.00 N ATOM 886 CA HIS A 594 -9.519 7.007 1.841 1.00 0.00 C ATOM 887 C HIS A 594 -8.329 6.109 2.154 1.00 0.00 C ATOM 888 O HIS A 594 -7.264 6.586 2.543 1.00 0.00 O ATOM 889 CB HIS A 594 -10.474 7.054 3.039 1.00 0.00 C ATOM 890 CG HIS A 594 -11.473 8.171 2.979 1.00 0.00 C ATOM 891 ND1 HIS A 594 -12.832 7.979 3.123 1.00 0.00 N ATOM 892 CD2 HIS A 594 -11.301 9.501 2.802 1.00 0.00 C ATOM 893 CE1 HIS A 594 -13.448 9.142 3.035 1.00 0.00 C ATOM 894 NE2 HIS A 594 -12.543 10.079 2.841 1.00 0.00 N ATOM 0 H HIS A 594 -11.140 6.174 0.796 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.161 8.019 1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.008 6.106 3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.889 7.152 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -10.361 10.012 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -14.514 9.299 3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -12.736 11.075 2.737 1.00 0.00 H new ATOM 903 N LYS A 595 -8.513 4.806 1.961 1.00 0.00 N ATOM 904 CA LYS A 595 -7.443 3.842 2.165 1.00 0.00 C ATOM 905 C LYS A 595 -6.297 4.112 1.195 1.00 0.00 C ATOM 906 O LYS A 595 -5.122 3.966 1.543 1.00 0.00 O ATOM 907 CB LYS A 595 -7.982 2.429 1.943 1.00 0.00 C ATOM 908 CG LYS A 595 -7.192 1.326 2.640 1.00 0.00 C ATOM 909 CD LYS A 595 -7.554 1.189 4.119 1.00 0.00 C ATOM 910 CE LYS A 595 -6.973 2.308 4.964 1.00 0.00 C ATOM 911 NZ LYS A 595 -7.085 2.041 6.423 1.00 0.00 N ATOM 0 H LYS A 595 -9.398 4.395 1.662 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.070 3.936 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -9.015 2.391 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.997 2.225 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.376 0.378 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.126 1.534 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -8.639 1.183 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -7.192 0.231 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -5.924 2.448 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -7.487 3.240 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -6.570 2.775 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -8.087 2.052 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -6.676 1.109 6.638 1.00 0.00 H new ATOM 925 N ARG A 596 -6.659 4.505 -0.022 1.00 0.00 N ATOM 926 CA ARG A 596 -5.694 4.827 -1.062 1.00 0.00 C ATOM 927 C ARG A 596 -4.802 5.972 -0.606 1.00 0.00 C ATOM 928 O ARG A 596 -3.580 5.883 -0.696 1.00 0.00 O ATOM 929 CB ARG A 596 -6.422 5.195 -2.363 1.00 0.00 C ATOM 930 CG ARG A 596 -5.540 5.145 -3.603 1.00 0.00 C ATOM 931 CD ARG A 596 -6.353 4.835 -4.859 1.00 0.00 C ATOM 932 NE ARG A 596 -7.317 5.886 -5.187 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.063 6.894 -6.024 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.857 7.022 -6.568 1.00 0.00 N ATOM 935 NH2 ARG A 596 -8.013 7.778 -6.309 1.00 0.00 N ATOM 0 H ARG A 596 -7.631 4.609 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.070 3.954 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.263 4.516 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.835 6.199 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -5.029 6.100 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.769 4.386 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.674 4.696 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.883 3.893 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.238 5.846 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -5.123 6.349 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.665 7.793 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.938 7.687 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.818 8.548 -6.949 1.00 0.00 H new ATOM 949 N LYS A 597 -5.425 7.022 -0.073 1.00 0.00 N ATOM 950 CA LYS A 597 -4.695 8.195 0.402 1.00 0.00 C ATOM 951 C LYS A 597 -3.686 7.805 1.476 1.00 0.00 C ATOM 952 O LYS A 597 -2.536 8.238 1.449 1.00 0.00 O ATOM 953 CB LYS A 597 -5.654 9.254 0.958 1.00 0.00 C ATOM 954 CG LYS A 597 -6.788 9.637 0.012 1.00 0.00 C ATOM 955 CD LYS A 597 -6.294 9.834 -1.413 1.00 0.00 C ATOM 956 CE LYS A 597 -5.268 10.941 -1.515 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.687 11.026 -2.880 1.00 0.00 N ATOM 0 H LYS A 597 -6.437 7.084 0.041 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.163 8.618 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.083 8.885 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.084 10.150 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.552 8.860 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.260 10.555 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.859 8.903 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.140 10.065 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.732 11.893 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -4.472 10.768 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -4.263 11.965 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -3.955 10.296 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -5.436 10.876 -3.586 1.00 0.00 H new ATOM 971 N GLU A 598 -4.129 6.968 2.404 1.00 0.00 N ATOM 972 CA GLU A 598 -3.279 6.486 3.490 1.00 0.00 C ATOM 973 C GLU A 598 -2.072 5.726 2.955 1.00 0.00 C ATOM 974 O GLU A 598 -0.929 5.988 3.340 1.00 0.00 O ATOM 975 CB GLU A 598 -4.077 5.559 4.394 1.00 0.00 C ATOM 976 CG GLU A 598 -5.087 6.261 5.276 1.00 0.00 C ATOM 977 CD GLU A 598 -5.968 5.272 6.007 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.422 4.406 6.725 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.200 5.334 5.850 1.00 0.00 O ATOM 0 H GLU A 598 -5.082 6.604 2.428 1.00 0.00 H new ATOM 0 HA GLU A 598 -2.929 7.354 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.599 4.829 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.384 5.004 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -4.566 6.889 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.706 6.921 4.668 1.00 0.00 H new ATOM 986 N LEU A 599 -2.342 4.771 2.077 1.00 0.00 N ATOM 987 CA LEU A 599 -1.298 3.937 1.497 1.00 0.00 C ATOM 988 C LEU A 599 -0.288 4.816 0.753 1.00 0.00 C ATOM 989 O LEU A 599 0.921 4.611 0.854 1.00 0.00 O ATOM 990 CB LEU A 599 -1.936 2.894 0.562 1.00 0.00 C ATOM 991 CG LEU A 599 -1.065 1.694 0.159 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.060 2.105 -0.774 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.510 0.981 1.381 1.00 0.00 C ATOM 0 H LEU A 599 -3.283 4.553 1.748 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.763 3.406 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.836 2.513 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.253 3.404 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.709 0.999 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.653 1.229 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.360 2.543 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.695 2.838 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.102 0.137 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.100 1.674 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.334 0.620 1.997 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.788 5.807 0.023 1.00 0.00 N ATOM 1006 CA GLU A 600 0.079 6.740 -0.689 1.00 0.00 C ATOM 1007 C GLU A 600 1.005 7.472 0.277 1.00 0.00 C ATOM 1008 O GLU A 600 2.163 7.703 -0.036 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.735 7.754 -1.489 1.00 0.00 C ATOM 1010 CG GLU A 600 -1.631 7.122 -2.538 1.00 0.00 C ATOM 1011 CD GLU A 600 -2.268 8.140 -3.458 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -3.000 9.019 -2.963 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -2.028 8.069 -4.683 1.00 0.00 O ATOM 0 H GLU A 600 -1.786 5.985 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 600 0.683 6.154 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.349 8.337 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -0.053 8.450 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 600 -1.047 6.419 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -2.414 6.548 -2.042 1.00 0.00 H new ATOM 1020 N GLN A 601 0.492 7.833 1.448 1.00 0.00 N ATOM 1021 CA GLN A 601 1.295 8.515 2.460 1.00 0.00 C ATOM 1022 C GLN A 601 2.432 7.634 2.962 1.00 0.00 C ATOM 1023 O GLN A 601 3.521 8.125 3.234 1.00 0.00 O ATOM 1024 CB GLN A 601 0.429 8.935 3.645 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.725 9.848 3.283 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.603 10.161 4.482 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.135 10.160 5.622 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -2.872 10.443 4.240 1.00 0.00 N ATOM 0 H GLN A 601 -0.476 7.665 1.721 1.00 0.00 H new ATOM 0 HA GLN A 601 1.721 9.399 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 601 0.032 8.040 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 601 1.058 9.438 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.335 10.777 2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.328 9.379 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -3.223 10.434 3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -3.500 10.670 5.011 1.00 0.00 H new ATOM 1037 N VAL A 602 2.180 6.338 3.096 1.00 0.00 N ATOM 1038 CA VAL A 602 3.195 5.434 3.629 1.00 0.00 C ATOM 1039 C VAL A 602 4.299 5.173 2.599 1.00 0.00 C ATOM 1040 O VAL A 602 5.478 5.107 2.943 1.00 0.00 O ATOM 1041 CB VAL A 602 2.582 4.095 4.108 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.409 3.111 2.967 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.431 3.487 5.211 1.00 0.00 C ATOM 0 H VAL A 602 1.296 5.893 2.848 1.00 0.00 H new ATOM 0 HA VAL A 602 3.636 5.928 4.495 1.00 0.00 H new ATOM 0 HB VAL A 602 1.590 4.313 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.976 2.186 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.747 3.539 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.380 2.900 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.986 2.547 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.437 3.302 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.480 4.176 6.054 1.00 0.00 H new ATOM 1053 N CYS A 603 3.907 5.034 1.339 1.00 0.00 N ATOM 1054 CA CYS A 603 4.846 4.754 0.258 1.00 0.00 C ATOM 1055 C CYS A 603 5.511 6.033 -0.256 1.00 0.00 C ATOM 1056 O CYS A 603 6.607 5.984 -0.794 1.00 0.00 O ATOM 1057 CB CYS A 603 4.137 4.023 -0.882 1.00 0.00 C ATOM 1058 SG CYS A 603 2.688 4.887 -1.528 1.00 0.00 S ATOM 0 H CYS A 603 2.936 5.111 1.038 1.00 0.00 H new ATOM 0 HA CYS A 603 5.632 4.112 0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.846 3.867 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.832 3.037 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 603 1.658 4.626 -0.780 1.00 0.00 H new ATOM 1064 N ASN A 604 4.834 7.168 -0.096 1.00 0.00 N ATOM 1065 CA ASN A 604 5.321 8.465 -0.602 1.00 0.00 C ATOM 1066 C ASN A 604 6.786 8.743 -0.211 1.00 0.00 C ATOM 1067 O ASN A 604 7.613 8.990 -1.095 1.00 0.00 O ATOM 1068 CB ASN A 604 4.407 9.599 -0.101 1.00 0.00 C ATOM 1069 CG ASN A 604 4.951 10.986 -0.387 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.557 11.229 -1.430 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.742 11.906 0.545 1.00 0.00 N ATOM 0 H ASN A 604 3.936 7.223 0.385 1.00 0.00 H new ATOM 0 HA ASN A 604 5.289 8.421 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.427 9.498 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.261 9.489 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 604 5.089 12.856 0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.235 11.664 1.396 1.00 0.00 H new ATOM 1078 N PRO A 605 7.154 8.694 1.095 1.00 0.00 N ATOM 1079 CA PRO A 605 8.540 8.949 1.530 1.00 0.00 C ATOM 1080 C PRO A 605 9.537 7.985 0.896 1.00 0.00 C ATOM 1081 O PRO A 605 10.717 8.299 0.740 1.00 0.00 O ATOM 1082 CB PRO A 605 8.488 8.736 3.044 1.00 0.00 C ATOM 1083 CG PRO A 605 7.068 8.979 3.393 1.00 0.00 C ATOM 1084 CD PRO A 605 6.286 8.407 2.253 1.00 0.00 C ATOM 0 HA PRO A 605 8.877 9.943 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.799 7.727 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 605 9.151 9.425 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.805 8.496 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.868 10.044 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 605 6.113 7.338 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.308 8.879 2.154 1.00 0.00 H new ATOM 1092 N ILE A 606 9.045 6.815 0.525 1.00 0.00 N ATOM 1093 CA ILE A 606 9.876 5.773 -0.042 1.00 0.00 C ATOM 1094 C ILE A 606 9.946 5.922 -1.569 1.00 0.00 C ATOM 1095 O ILE A 606 11.011 5.803 -2.168 1.00 0.00 O ATOM 1096 CB ILE A 606 9.341 4.375 0.374 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.675 3.661 -0.801 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.373 4.497 1.548 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.726 2.560 -0.396 1.00 0.00 C ATOM 0 H ILE A 606 8.060 6.564 0.609 1.00 0.00 H new ATOM 0 HA ILE A 606 10.890 5.870 0.347 1.00 0.00 H new ATOM 0 HB ILE A 606 10.194 3.773 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.131 4.394 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.449 3.241 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 606 8.010 3.507 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.887 4.945 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.530 5.126 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.296 2.104 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.267 1.804 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.928 2.975 0.220 1.00 0.00 H new ATOM 1111 N ILE A 607 8.805 6.240 -2.177 1.00 0.00 N ATOM 1112 CA ILE A 607 8.683 6.372 -3.623 1.00 0.00 C ATOM 1113 C ILE A 607 9.452 7.585 -4.138 1.00 0.00 C ATOM 1114 O ILE A 607 9.968 7.574 -5.259 1.00 0.00 O ATOM 1115 CB ILE A 607 7.183 6.453 -4.030 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.714 5.113 -4.602 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.910 7.574 -5.019 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.748 3.979 -3.606 1.00 0.00 C ATOM 0 H ILE A 607 7.935 6.414 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 607 9.123 5.487 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 607 6.617 6.678 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.696 5.225 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.341 4.854 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.849 7.587 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.189 8.529 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.495 7.411 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.402 3.063 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.768 3.838 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.098 4.215 -2.763 1.00 0.00 H new ATOM 1130 N SER A 608 9.550 8.615 -3.308 1.00 0.00 N ATOM 1131 CA SER A 608 10.244 9.836 -3.692 1.00 0.00 C ATOM 1132 C SER A 608 11.734 9.561 -3.918 1.00 0.00 C ATOM 1133 O SER A 608 12.410 10.295 -4.643 1.00 0.00 O ATOM 1134 CB SER A 608 10.050 10.910 -2.613 1.00 0.00 C ATOM 1135 OG SER A 608 10.288 12.209 -3.131 1.00 0.00 O ATOM 0 H SER A 608 9.158 8.629 -2.366 1.00 0.00 H new ATOM 0 HA SER A 608 9.822 10.200 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.035 10.854 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.727 10.718 -1.780 1.00 0.00 H new ATOM 0 HG SER A 608 10.156 12.873 -2.422 1.00 0.00 H new ATOM 1141 N GLY A 609 12.228 8.482 -3.320 1.00 0.00 N ATOM 1142 CA GLY A 609 13.626 8.132 -3.459 1.00 0.00 C ATOM 1143 C GLY A 609 13.818 6.826 -4.204 1.00 0.00 C ATOM 1144 O GLY A 609 14.849 6.167 -4.062 1.00 0.00 O ATOM 0 H GLY A 609 11.682 7.844 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.148 8.930 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.079 8.055 -2.471 1.00 0.00 H new ATOM 1148 N LEU A 610 12.824 6.450 -4.997 1.00 0.00 N ATOM 1149 CA LEU A 610 12.878 5.217 -5.769 1.00 0.00 C ATOM 1150 C LEU A 610 12.836 5.516 -7.262 1.00 0.00 C ATOM 1151 O LEU A 610 13.919 5.610 -7.881 1.00 0.00 O ATOM 1152 CB LEU A 610 11.721 4.296 -5.376 1.00 0.00 C ATOM 1153 CG LEU A 610 11.892 3.568 -4.041 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.692 2.681 -3.766 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.172 2.744 -4.036 1.00 0.00 C ATOM 1156 OXT LEU A 610 11.725 5.674 -7.807 1.00 0.00 O ATOM 0 H LEU A 610 11.965 6.986 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 610 13.818 4.711 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.806 4.886 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.586 3.553 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 610 11.963 4.315 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.828 2.170 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.790 3.292 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.594 1.944 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.273 2.235 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.132 2.005 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 610 14.028 3.401 -4.190 1.00 0.00 H new