USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1018 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: B 548 GLN : amide:sc= 0.771 X(o=0.18,f=-0.019) USER MOD Set 1.2: B 549 GLN : amide:sc= -0.591 X(o=0.18,f=-0.019) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 2.3 (180deg=1.33) USER MOD Single : A 2 GLN : amide:sc= 0.87 K(o=0.87,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.082 (180deg=-0.364) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0872 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 25 ASN : amide:sc= 1.09 K(o=1.1,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= 1.45 (180deg=0.229) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -1.38 K(o=-1.4,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 1.28 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -0.18 K(o=-0.18,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.27 USER MOD Single : A 57 SER OG : rot 67:sc= 1.24 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.437 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 62 GLN : amide:sc= -0.387 K(o=-0.39,f=-3) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.12) USER MOD Single : A 65 SER OG : rot -103:sc= 0.92 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 542 ASN : amide:sc= -3.08! C(o=-3.1!,f=-6.6!) USER MOD Single : B 550 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.4) USER MOD Single : B 553 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.69) USER MOD Single : B 555 SER OG : rot 72:sc= 2.17 USER MOD Single : B 557 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 561 ASN : amide:sc= -0.925 K(o=-0.93,f=-6.6!) USER MOD Single : B 565 ASN : amide:sc= -3.38 X(o=-3.4,f=-3.5!) USER MOD Single : B 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 572 THR OG1 : rot 168:sc= 0.581 USER MOD Single : B 577 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.31) USER MOD Single : B 586 SER OG : rot 180:sc= -0.282 USER MOD Single : B 587 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.843 -9.972 3.757 1.00 0.00 N ATOM 2 CA MET A 1 -8.646 -10.485 4.458 1.00 0.00 C ATOM 3 C MET A 1 -7.902 -9.346 5.149 1.00 0.00 C ATOM 4 O MET A 1 -8.174 -8.171 4.899 1.00 0.00 O ATOM 5 CB MET A 1 -7.711 -11.208 3.477 1.00 0.00 C ATOM 6 CG MET A 1 -6.994 -10.283 2.504 1.00 0.00 C ATOM 7 SD MET A 1 -5.906 -11.171 1.373 1.00 0.00 S ATOM 8 CE MET A 1 -5.239 -9.818 0.408 1.00 0.00 C ATOM 0 H1 MET A 1 -10.132 -10.649 3.022 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.619 -9.849 4.439 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.621 -9.056 3.316 1.00 0.00 H new ATOM 0 HA MET A 1 -8.975 -11.198 5.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.967 -11.766 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.291 -11.936 2.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.732 -9.725 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.410 -9.554 3.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.546 -10.209 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.052 -9.293 -0.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.712 -9.127 1.066 1.00 0.00 H new ATOM 20 N GLN A 2 -6.964 -9.711 6.009 1.00 0.00 N ATOM 21 CA GLN A 2 -6.172 -8.732 6.748 1.00 0.00 C ATOM 22 C GLN A 2 -4.813 -8.540 6.090 1.00 0.00 C ATOM 23 O GLN A 2 -4.331 -9.432 5.393 1.00 0.00 O ATOM 24 CB GLN A 2 -5.985 -9.172 8.204 1.00 0.00 C ATOM 25 CG GLN A 2 -7.290 -9.431 8.943 1.00 0.00 C ATOM 26 CD GLN A 2 -8.274 -8.283 8.824 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.886 -7.124 8.677 1.00 0.00 O ATOM 28 NE2 GLN A 2 -9.556 -8.597 8.894 1.00 0.00 N ATOM 0 H GLN A 2 -6.730 -10.682 6.215 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.710 -7.784 6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.381 -10.079 8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.424 -8.404 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.749 -10.339 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.076 -9.611 9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.837 -9.570 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.264 -7.866 8.826 1.00 0.00 H new ATOM 37 N ILE A 3 -4.205 -7.374 6.304 1.00 0.00 N ATOM 38 CA ILE A 3 -2.888 -7.063 5.747 1.00 0.00 C ATOM 39 C ILE A 3 -2.142 -6.115 6.677 1.00 0.00 C ATOM 40 O ILE A 3 -2.722 -5.571 7.619 1.00 0.00 O ATOM 41 CB ILE A 3 -2.947 -6.401 4.345 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.775 -5.114 4.387 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.492 -7.362 3.300 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.391 -4.113 3.317 1.00 0.00 C ATOM 0 H ILE A 3 -4.607 -6.623 6.864 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.375 -8.020 5.647 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.928 -6.143 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.830 -5.366 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.660 -4.649 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.520 -6.867 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.848 -8.239 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.500 -7.670 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.018 -3.226 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.345 -3.832 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.533 -4.560 2.333 1.00 0.00 H new ATOM 56 N PHE A 4 -0.863 -5.918 6.401 1.00 0.00 N ATOM 57 CA PHE A 4 -0.033 -5.026 7.195 1.00 0.00 C ATOM 58 C PHE A 4 0.718 -4.077 6.276 1.00 0.00 C ATOM 59 O PHE A 4 1.209 -4.485 5.222 1.00 0.00 O ATOM 60 CB PHE A 4 0.955 -5.820 8.055 1.00 0.00 C ATOM 61 CG PHE A 4 0.288 -6.691 9.084 1.00 0.00 C ATOM 62 CD1 PHE A 4 -0.430 -6.128 10.126 1.00 0.00 C ATOM 63 CD2 PHE A 4 0.380 -8.072 9.005 1.00 0.00 C ATOM 64 CE1 PHE A 4 -1.046 -6.926 11.071 1.00 0.00 C ATOM 65 CE2 PHE A 4 -0.234 -8.874 9.947 1.00 0.00 C ATOM 66 CZ PHE A 4 -0.947 -8.301 10.982 1.00 0.00 C ATOM 0 H PHE A 4 -0.374 -6.368 5.627 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.676 -4.452 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.570 -6.444 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.626 -5.125 8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.509 -5.054 10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.937 -8.525 8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.604 -6.475 11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.157 -9.949 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.426 -8.927 11.720 1.00 0.00 H new ATOM 76 N VAL A 5 0.802 -2.815 6.662 1.00 0.00 N ATOM 77 CA VAL A 5 1.492 -1.823 5.857 1.00 0.00 C ATOM 78 C VAL A 5 2.626 -1.188 6.652 1.00 0.00 C ATOM 79 O VAL A 5 2.400 -0.557 7.684 1.00 0.00 O ATOM 80 CB VAL A 5 0.531 -0.719 5.357 1.00 0.00 C ATOM 81 CG1 VAL A 5 1.288 0.352 4.583 1.00 0.00 C ATOM 82 CG2 VAL A 5 -0.574 -1.315 4.496 1.00 0.00 C ATOM 0 H VAL A 5 0.401 -2.454 7.528 1.00 0.00 H new ATOM 0 HA VAL A 5 1.899 -2.340 4.988 1.00 0.00 H new ATOM 0 HB VAL A 5 0.075 -0.252 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.590 1.117 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.037 0.807 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.779 -0.100 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.238 -0.521 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.133 -1.815 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.143 -2.037 5.082 1.00 0.00 H new ATOM 92 N LYS A 6 3.839 -1.381 6.168 1.00 0.00 N ATOM 93 CA LYS A 6 5.025 -0.832 6.801 1.00 0.00 C ATOM 94 C LYS A 6 5.561 0.320 5.965 1.00 0.00 C ATOM 95 O LYS A 6 5.900 0.138 4.799 1.00 0.00 O ATOM 96 CB LYS A 6 6.098 -1.913 6.952 1.00 0.00 C ATOM 97 CG LYS A 6 5.945 -2.767 8.201 1.00 0.00 C ATOM 98 CD LYS A 6 6.423 -2.024 9.439 1.00 0.00 C ATOM 99 CE LYS A 6 6.416 -2.916 10.669 1.00 0.00 C ATOM 100 NZ LYS A 6 7.311 -4.094 10.511 1.00 0.00 N ATOM 0 H LYS A 6 4.030 -1.923 5.325 1.00 0.00 H new ATOM 0 HA LYS A 6 4.760 -0.466 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.072 -2.561 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.079 -1.437 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.900 -3.050 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.514 -3.690 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.431 -1.646 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.783 -1.159 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.729 -2.337 11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.399 -3.257 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.517 -4.501 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.843 -4.809 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.199 -3.797 10.059 1.00 0.00 H new ATOM 114 N THR A 7 5.615 1.502 6.547 1.00 0.00 N ATOM 115 CA THR A 7 6.102 2.673 5.834 1.00 0.00 C ATOM 116 C THR A 7 7.620 2.784 5.933 1.00 0.00 C ATOM 117 O THR A 7 8.279 1.907 6.496 1.00 0.00 O ATOM 118 CB THR A 7 5.456 3.956 6.380 1.00 0.00 C ATOM 119 OG1 THR A 7 5.646 4.037 7.797 1.00 0.00 O ATOM 120 CG2 THR A 7 3.970 3.991 6.063 1.00 0.00 C ATOM 0 H THR A 7 5.329 1.680 7.510 1.00 0.00 H new ATOM 0 HA THR A 7 5.826 2.555 4.786 1.00 0.00 H new ATOM 0 HB THR A 7 5.935 4.809 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.233 4.858 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.535 4.908 6.459 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.828 3.959 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.480 3.131 6.519 1.00 0.00 H new ATOM 128 N LEU A 8 8.170 3.871 5.397 1.00 0.00 N ATOM 129 CA LEU A 8 9.611 4.098 5.425 1.00 0.00 C ATOM 130 C LEU A 8 10.103 4.268 6.854 1.00 0.00 C ATOM 131 O LEU A 8 11.241 3.935 7.177 1.00 0.00 O ATOM 132 CB LEU A 8 9.973 5.339 4.608 1.00 0.00 C ATOM 133 CG LEU A 8 9.629 5.265 3.123 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.121 6.508 2.402 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.227 4.012 2.505 1.00 0.00 C ATOM 0 H LEU A 8 7.637 4.609 4.937 1.00 0.00 H new ATOM 0 HA LEU A 8 10.096 3.226 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.463 6.200 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.043 5.520 4.708 1.00 0.00 H new ATOM 0 HG LEU A 8 8.545 5.216 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.868 6.439 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.646 7.390 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.203 6.588 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.974 3.972 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.311 4.032 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.826 3.132 3.007 1.00 0.00 H new ATOM 147 N THR A 9 9.235 4.790 7.706 1.00 0.00 N ATOM 148 CA THR A 9 9.567 5.006 9.103 1.00 0.00 C ATOM 149 C THR A 9 9.377 3.727 9.918 1.00 0.00 C ATOM 150 O THR A 9 9.612 3.703 11.128 1.00 0.00 O ATOM 151 CB THR A 9 8.688 6.120 9.693 1.00 0.00 C ATOM 152 OG1 THR A 9 8.072 6.858 8.630 1.00 0.00 O ATOM 153 CG2 THR A 9 9.511 7.060 10.559 1.00 0.00 C ATOM 0 H THR A 9 8.289 5.073 7.451 1.00 0.00 H new ATOM 0 HA THR A 9 10.615 5.301 9.154 1.00 0.00 H new ATOM 0 HB THR A 9 7.921 5.662 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.510 7.567 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.866 7.839 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.962 6.499 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.296 7.516 9.956 1.00 0.00 H new ATOM 161 N GLY A 10 8.946 2.665 9.245 1.00 0.00 N ATOM 162 CA GLY A 10 8.725 1.400 9.912 1.00 0.00 C ATOM 163 C GLY A 10 7.408 1.363 10.663 1.00 0.00 C ATOM 164 O GLY A 10 7.231 0.555 11.574 1.00 0.00 O ATOM 0 H GLY A 10 8.746 2.661 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.743 0.597 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.542 1.212 10.608 1.00 0.00 H new ATOM 168 N LYS A 11 6.482 2.240 10.286 1.00 0.00 N ATOM 169 CA LYS A 11 5.178 2.290 10.935 1.00 0.00 C ATOM 170 C LYS A 11 4.340 1.096 10.493 1.00 0.00 C ATOM 171 O LYS A 11 4.519 0.588 9.388 1.00 0.00 O ATOM 172 CB LYS A 11 4.454 3.596 10.599 1.00 0.00 C ATOM 173 CG LYS A 11 3.308 3.917 11.545 1.00 0.00 C ATOM 174 CD LYS A 11 2.354 4.938 10.948 1.00 0.00 C ATOM 175 CE LYS A 11 1.968 5.996 11.968 1.00 0.00 C ATOM 176 NZ LYS A 11 0.598 6.524 11.735 1.00 0.00 N ATOM 0 H LYS A 11 6.610 2.922 9.538 1.00 0.00 H new ATOM 0 HA LYS A 11 5.323 2.250 12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.172 4.416 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.068 3.536 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.762 3.003 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.708 4.299 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.821 5.414 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.458 4.434 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.027 5.571 12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.684 6.817 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.350 7.193 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.566 7.012 10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.082 5.737 11.732 1.00 0.00 H new ATOM 190 N THR A 12 3.429 0.658 11.346 1.00 0.00 N ATOM 191 CA THR A 12 2.590 -0.485 11.031 1.00 0.00 C ATOM 192 C THR A 12 1.124 -0.082 10.931 1.00 0.00 C ATOM 193 O THR A 12 0.442 0.079 11.942 1.00 0.00 O ATOM 194 CB THR A 12 2.742 -1.586 12.093 1.00 0.00 C ATOM 195 OG1 THR A 12 4.047 -1.510 12.681 1.00 0.00 O ATOM 196 CG2 THR A 12 2.533 -2.963 11.479 1.00 0.00 C ATOM 0 H THR A 12 3.252 1.076 12.260 1.00 0.00 H new ATOM 0 HA THR A 12 2.918 -0.870 10.065 1.00 0.00 H new ATOM 0 HB THR A 12 1.984 -1.434 12.862 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.142 -2.211 13.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.645 -3.726 12.249 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.532 -3.023 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.272 -3.128 10.695 1.00 0.00 H new ATOM 204 N ILE A 13 0.653 0.098 9.711 1.00 0.00 N ATOM 205 CA ILE A 13 -0.732 0.469 9.481 1.00 0.00 C ATOM 206 C ILE A 13 -1.543 -0.770 9.127 1.00 0.00 C ATOM 207 O ILE A 13 -1.335 -1.380 8.079 1.00 0.00 O ATOM 208 CB ILE A 13 -0.865 1.511 8.349 1.00 0.00 C ATOM 209 CG1 ILE A 13 0.191 2.608 8.505 1.00 0.00 C ATOM 210 CG2 ILE A 13 -2.263 2.113 8.345 1.00 0.00 C ATOM 211 CD1 ILE A 13 0.379 3.453 7.264 1.00 0.00 C ATOM 0 H ILE A 13 1.210 -0.007 8.863 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.113 0.917 10.399 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.702 1.010 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.091 3.256 9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.144 2.148 8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.341 2.846 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.999 1.324 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.452 2.601 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.142 4.208 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.692 2.818 6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.562 3.942 7.011 1.00 0.00 H new ATOM 223 N THR A 14 -2.448 -1.152 10.011 1.00 0.00 N ATOM 224 CA THR A 14 -3.283 -2.318 9.788 1.00 0.00 C ATOM 225 C THR A 14 -4.473 -1.948 8.906 1.00 0.00 C ATOM 226 O THR A 14 -5.175 -0.970 9.177 1.00 0.00 O ATOM 227 CB THR A 14 -3.780 -2.901 11.124 1.00 0.00 C ATOM 228 OG1 THR A 14 -2.745 -2.792 12.115 1.00 0.00 O ATOM 229 CG2 THR A 14 -4.181 -4.360 10.963 1.00 0.00 C ATOM 0 H THR A 14 -2.623 -0.670 10.892 1.00 0.00 H new ATOM 0 HA THR A 14 -2.684 -3.076 9.284 1.00 0.00 H new ATOM 0 HB THR A 14 -4.655 -2.335 11.443 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.065 -3.162 12.964 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.528 -4.750 11.920 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.981 -4.438 10.227 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.321 -4.939 10.626 1.00 0.00 H new ATOM 237 N LEU A 15 -4.687 -2.716 7.847 1.00 0.00 N ATOM 238 CA LEU A 15 -5.779 -2.450 6.922 1.00 0.00 C ATOM 239 C LEU A 15 -6.487 -3.736 6.519 1.00 0.00 C ATOM 240 O LEU A 15 -5.997 -4.838 6.772 1.00 0.00 O ATOM 241 CB LEU A 15 -5.247 -1.742 5.671 1.00 0.00 C ATOM 242 CG LEU A 15 -5.206 -0.217 5.749 1.00 0.00 C ATOM 243 CD1 LEU A 15 -4.295 0.347 4.672 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.606 0.357 5.608 1.00 0.00 C ATOM 0 H LEU A 15 -4.119 -3.528 7.607 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.498 -1.807 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.240 -2.106 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.866 -2.029 4.821 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.808 0.068 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.278 1.435 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.286 -0.041 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.667 0.053 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.561 1.445 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.025 0.062 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.238 -0.023 6.411 1.00 0.00 H new ATOM 256 N GLU A 16 -7.641 -3.577 5.888 1.00 0.00 N ATOM 257 CA GLU A 16 -8.430 -4.702 5.423 1.00 0.00 C ATOM 258 C GLU A 16 -8.651 -4.567 3.920 1.00 0.00 C ATOM 259 O GLU A 16 -8.940 -3.473 3.432 1.00 0.00 O ATOM 260 CB GLU A 16 -9.767 -4.756 6.163 1.00 0.00 C ATOM 261 CG GLU A 16 -10.416 -6.129 6.158 1.00 0.00 C ATOM 262 CD GLU A 16 -11.587 -6.218 7.111 1.00 0.00 C ATOM 263 OE1 GLU A 16 -12.691 -5.772 6.743 1.00 0.00 O ATOM 264 OE2 GLU A 16 -11.407 -6.735 8.233 1.00 0.00 O ATOM 0 H GLU A 16 -8.054 -2.666 5.686 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.897 -5.631 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.613 -4.441 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.452 -4.039 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.754 -6.364 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.673 -6.880 6.428 1.00 0.00 H new ATOM 271 N VAL A 17 -8.542 -5.681 3.202 1.00 0.00 N ATOM 272 CA VAL A 17 -8.695 -5.698 1.744 1.00 0.00 C ATOM 273 C VAL A 17 -8.961 -7.119 1.275 1.00 0.00 C ATOM 274 O VAL A 17 -9.130 -8.022 2.091 1.00 0.00 O ATOM 275 CB VAL A 17 -7.436 -5.189 0.994 1.00 0.00 C ATOM 276 CG1 VAL A 17 -7.409 -3.672 0.899 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.171 -5.712 1.652 1.00 0.00 C ATOM 0 H VAL A 17 -8.346 -6.596 3.609 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.526 -5.030 1.517 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.483 -5.577 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.511 -3.357 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.291 -3.325 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.405 -3.245 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.300 -5.343 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.129 -5.367 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.175 -6.802 1.633 1.00 0.00 H new ATOM 287 N GLU A 18 -8.986 -7.306 -0.035 1.00 0.00 N ATOM 288 CA GLU A 18 -9.202 -8.615 -0.634 1.00 0.00 C ATOM 289 C GLU A 18 -8.341 -8.738 -1.890 1.00 0.00 C ATOM 290 O GLU A 18 -7.992 -7.728 -2.495 1.00 0.00 O ATOM 291 CB GLU A 18 -10.684 -8.816 -0.967 1.00 0.00 C ATOM 292 CG GLU A 18 -11.509 -9.311 0.213 1.00 0.00 C ATOM 293 CD GLU A 18 -11.210 -10.753 0.569 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.297 -10.998 1.384 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.883 -11.654 0.028 1.00 0.00 O ATOM 0 H GLU A 18 -8.857 -6.555 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.914 -9.391 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.100 -7.873 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.771 -9.530 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.313 -8.679 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.569 -9.211 -0.022 1.00 0.00 H new ATOM 302 N PRO A 19 -7.974 -9.970 -2.291 1.00 0.00 N ATOM 303 CA PRO A 19 -7.131 -10.212 -3.478 1.00 0.00 C ATOM 304 C PRO A 19 -7.664 -9.562 -4.758 1.00 0.00 C ATOM 305 O PRO A 19 -6.896 -9.248 -5.672 1.00 0.00 O ATOM 306 CB PRO A 19 -7.147 -11.735 -3.619 1.00 0.00 C ATOM 307 CG PRO A 19 -7.421 -12.242 -2.248 1.00 0.00 C ATOM 308 CD PRO A 19 -8.329 -11.229 -1.609 1.00 0.00 C ATOM 0 HA PRO A 19 -6.140 -9.778 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.915 -12.059 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.194 -12.107 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.893 -13.224 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.497 -12.352 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.379 -11.482 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.164 -11.163 -0.534 1.00 0.00 H new ATOM 316 N SER A 20 -8.972 -9.358 -4.824 1.00 0.00 N ATOM 317 CA SER A 20 -9.595 -8.766 -5.999 1.00 0.00 C ATOM 318 C SER A 20 -9.565 -7.237 -5.959 1.00 0.00 C ATOM 319 O SER A 20 -9.936 -6.581 -6.932 1.00 0.00 O ATOM 320 CB SER A 20 -11.034 -9.263 -6.111 1.00 0.00 C ATOM 321 OG SER A 20 -11.589 -9.493 -4.824 1.00 0.00 O ATOM 0 H SER A 20 -9.624 -9.594 -4.076 1.00 0.00 H new ATOM 0 HA SER A 20 -9.024 -9.074 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.637 -8.529 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.061 -10.184 -6.694 1.00 0.00 H new ATOM 0 HG SER A 20 -12.512 -9.809 -4.917 1.00 0.00 H new ATOM 327 N ASP A 21 -9.116 -6.671 -4.844 1.00 0.00 N ATOM 328 CA ASP A 21 -9.057 -5.218 -4.705 1.00 0.00 C ATOM 329 C ASP A 21 -7.871 -4.649 -5.468 1.00 0.00 C ATOM 330 O ASP A 21 -6.846 -5.319 -5.639 1.00 0.00 O ATOM 331 CB ASP A 21 -8.979 -4.807 -3.230 1.00 0.00 C ATOM 332 CG ASP A 21 -10.317 -4.349 -2.682 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.699 -3.180 -2.918 1.00 0.00 O ATOM 334 OD2 ASP A 21 -11.002 -5.153 -2.012 1.00 0.00 O ATOM 0 H ASP A 21 -8.790 -7.190 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.974 -4.809 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.618 -5.650 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.250 -4.004 -3.118 1.00 0.00 H new ATOM 339 N THR A 22 -8.018 -3.417 -5.934 1.00 0.00 N ATOM 340 CA THR A 22 -6.971 -2.750 -6.685 1.00 0.00 C ATOM 341 C THR A 22 -6.036 -1.982 -5.764 1.00 0.00 C ATOM 342 O THR A 22 -6.399 -1.647 -4.634 1.00 0.00 O ATOM 343 CB THR A 22 -7.570 -1.773 -7.712 1.00 0.00 C ATOM 344 OG1 THR A 22 -8.674 -1.070 -7.129 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.031 -2.508 -8.958 1.00 0.00 C ATOM 0 H THR A 22 -8.861 -2.858 -5.802 1.00 0.00 H new ATOM 0 HA THR A 22 -6.406 -3.524 -7.204 1.00 0.00 H new ATOM 0 HB THR A 22 -6.795 -1.062 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.050 -0.448 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.450 -1.794 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.183 -3.018 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.792 -3.240 -8.688 1.00 0.00 H new ATOM 353 N ILE A 23 -4.834 -1.703 -6.250 1.00 0.00 N ATOM 354 CA ILE A 23 -3.852 -0.952 -5.481 1.00 0.00 C ATOM 355 C ILE A 23 -4.392 0.442 -5.187 1.00 0.00 C ATOM 356 O ILE A 23 -4.210 0.974 -4.092 1.00 0.00 O ATOM 357 CB ILE A 23 -2.506 -0.847 -6.236 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.943 -2.244 -6.525 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.502 -0.018 -5.447 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.759 -3.102 -5.290 1.00 0.00 C ATOM 0 H ILE A 23 -4.515 -1.987 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.672 -1.482 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.688 -0.343 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.611 -2.758 -7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.982 -2.140 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.564 0.040 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.898 0.986 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.324 -0.486 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.358 -4.073 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.066 -2.612 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.721 -3.239 -4.796 1.00 0.00 H new ATOM 372 N GLU A 24 -5.080 1.011 -6.174 1.00 0.00 N ATOM 373 CA GLU A 24 -5.684 2.331 -6.042 1.00 0.00 C ATOM 374 C GLU A 24 -6.689 2.333 -4.891 1.00 0.00 C ATOM 375 O GLU A 24 -6.748 3.273 -4.099 1.00 0.00 O ATOM 376 CB GLU A 24 -6.379 2.710 -7.347 1.00 0.00 C ATOM 377 CG GLU A 24 -6.961 4.109 -7.352 1.00 0.00 C ATOM 378 CD GLU A 24 -7.816 4.359 -8.569 1.00 0.00 C ATOM 379 OE1 GLU A 24 -7.253 4.549 -9.670 1.00 0.00 O ATOM 380 OE2 GLU A 24 -9.059 4.353 -8.441 1.00 0.00 O ATOM 0 H GLU A 24 -5.233 0.572 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.905 3.062 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.665 2.622 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.178 1.995 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.558 4.257 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.152 4.839 -7.321 1.00 0.00 H new ATOM 387 N ASN A 25 -7.474 1.263 -4.818 1.00 0.00 N ATOM 388 CA ASN A 25 -8.467 1.102 -3.760 1.00 0.00 C ATOM 389 C ASN A 25 -7.790 1.149 -2.396 1.00 0.00 C ATOM 390 O ASN A 25 -8.351 1.668 -1.428 1.00 0.00 O ATOM 391 CB ASN A 25 -9.225 -0.215 -3.927 1.00 0.00 C ATOM 392 CG ASN A 25 -10.522 -0.041 -4.692 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.726 0.966 -5.375 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.403 -1.023 -4.591 1.00 0.00 N ATOM 0 H ASN A 25 -7.442 0.490 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.182 1.922 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.592 -0.932 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.439 -0.635 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.291 -0.965 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.194 -1.838 -4.015 1.00 0.00 H new ATOM 401 N VAL A 26 -6.577 0.609 -2.334 1.00 0.00 N ATOM 402 CA VAL A 26 -5.799 0.607 -1.104 1.00 0.00 C ATOM 403 C VAL A 26 -5.333 2.026 -0.795 1.00 0.00 C ATOM 404 O VAL A 26 -5.421 2.482 0.344 1.00 0.00 O ATOM 405 CB VAL A 26 -4.569 -0.326 -1.206 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.851 -0.424 0.133 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.980 -1.706 -1.693 1.00 0.00 C ATOM 0 H VAL A 26 -6.111 0.166 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.439 0.236 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.879 0.103 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.990 -1.085 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.515 0.567 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.533 -0.824 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.100 -2.346 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.694 -2.141 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.441 -1.622 -2.677 1.00 0.00 H new ATOM 417 N LYS A 27 -4.830 2.706 -1.827 1.00 0.00 N ATOM 418 CA LYS A 27 -4.361 4.091 -1.710 1.00 0.00 C ATOM 419 C LYS A 27 -5.397 4.966 -1.003 1.00 0.00 C ATOM 420 O LYS A 27 -5.063 5.736 -0.097 1.00 0.00 O ATOM 421 CB LYS A 27 -4.064 4.680 -3.097 1.00 0.00 C ATOM 422 CG LYS A 27 -3.128 3.835 -3.953 1.00 0.00 C ATOM 423 CD LYS A 27 -1.676 3.990 -3.534 1.00 0.00 C ATOM 424 CE LYS A 27 -1.116 5.337 -3.959 1.00 0.00 C ATOM 425 NZ LYS A 27 -0.596 5.324 -5.350 1.00 0.00 N ATOM 0 H LYS A 27 -4.736 2.315 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.446 4.078 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.005 4.812 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.627 5.671 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.417 2.787 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.236 4.122 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.595 3.886 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.081 3.191 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.895 6.094 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.315 5.625 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.438 5.431 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.844 4.422 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.018 6.109 -5.886 1.00 0.00 H new ATOM 439 N ALA A 28 -6.655 4.840 -1.425 1.00 0.00 N ATOM 440 CA ALA A 28 -7.750 5.606 -0.841 1.00 0.00 C ATOM 441 C ALA A 28 -7.925 5.273 0.640 1.00 0.00 C ATOM 442 O ALA A 28 -8.149 6.158 1.467 1.00 0.00 O ATOM 443 CB ALA A 28 -9.039 5.333 -1.603 1.00 0.00 C ATOM 0 H ALA A 28 -6.940 4.209 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.508 6.666 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.852 5.909 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.914 5.624 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.276 4.270 -1.549 1.00 0.00 H new ATOM 449 N LYS A 29 -7.837 3.986 0.957 1.00 0.00 N ATOM 450 CA LYS A 29 -7.962 3.518 2.336 1.00 0.00 C ATOM 451 C LYS A 29 -6.905 4.172 3.222 1.00 0.00 C ATOM 452 O LYS A 29 -7.214 4.699 4.292 1.00 0.00 O ATOM 453 CB LYS A 29 -7.830 1.997 2.396 1.00 0.00 C ATOM 454 CG LYS A 29 -9.055 1.260 1.885 1.00 0.00 C ATOM 455 CD LYS A 29 -8.733 -0.183 1.544 1.00 0.00 C ATOM 456 CE LYS A 29 -9.997 -0.994 1.314 1.00 0.00 C ATOM 457 NZ LYS A 29 -10.638 -1.397 2.591 1.00 0.00 N ATOM 0 H LYS A 29 -7.679 3.244 0.275 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.948 3.800 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.963 1.693 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.640 1.698 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.840 1.290 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.443 1.766 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.110 -0.217 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.155 -0.629 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.701 -0.408 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.756 -1.884 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.585 -1.782 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.057 -2.123 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.722 -0.568 3.214 1.00 0.00 H new ATOM 471 N ILE A 30 -5.658 4.130 2.767 1.00 0.00 N ATOM 472 CA ILE A 30 -4.557 4.735 3.510 1.00 0.00 C ATOM 473 C ILE A 30 -4.781 6.241 3.661 1.00 0.00 C ATOM 474 O ILE A 30 -4.449 6.829 4.691 1.00 0.00 O ATOM 475 CB ILE A 30 -3.187 4.476 2.844 1.00 0.00 C ATOM 476 CG1 ILE A 30 -3.076 3.015 2.395 1.00 0.00 C ATOM 477 CG2 ILE A 30 -2.063 4.819 3.814 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.819 2.709 1.609 1.00 0.00 C ATOM 0 H ILE A 30 -5.384 3.685 1.891 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.541 4.265 4.493 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.100 5.113 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.109 2.371 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.944 2.766 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.101 4.633 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.132 5.870 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.151 4.199 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.813 1.656 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.793 3.325 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.944 2.925 2.223 1.00 0.00 H new ATOM 490 N GLN A 31 -5.350 6.859 2.630 1.00 0.00 N ATOM 491 CA GLN A 31 -5.650 8.288 2.661 1.00 0.00 C ATOM 492 C GLN A 31 -6.685 8.590 3.745 1.00 0.00 C ATOM 493 O GLN A 31 -6.613 9.610 4.425 1.00 0.00 O ATOM 494 CB GLN A 31 -6.163 8.761 1.298 1.00 0.00 C ATOM 495 CG GLN A 31 -6.587 10.221 1.280 1.00 0.00 C ATOM 496 CD GLN A 31 -6.925 10.718 -0.111 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.371 9.957 -0.967 1.00 0.00 O ATOM 498 NE2 GLN A 31 -6.714 12.002 -0.344 1.00 0.00 N ATOM 0 H GLN A 31 -5.613 6.393 1.762 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.731 8.826 2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.382 8.609 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.010 8.142 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.454 10.351 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.785 10.832 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.342 12.600 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.923 12.395 -1.262 1.00 0.00 H new ATOM 507 N ASP A 32 -7.646 7.694 3.897 1.00 0.00 N ATOM 508 CA ASP A 32 -8.686 7.856 4.910 1.00 0.00 C ATOM 509 C ASP A 32 -8.093 7.697 6.306 1.00 0.00 C ATOM 510 O ASP A 32 -8.357 8.497 7.203 1.00 0.00 O ATOM 511 CB ASP A 32 -9.809 6.836 4.703 1.00 0.00 C ATOM 512 CG ASP A 32 -10.977 7.067 5.642 1.00 0.00 C ATOM 513 OD1 ASP A 32 -11.822 7.938 5.338 1.00 0.00 O ATOM 514 OD2 ASP A 32 -11.060 6.383 6.685 1.00 0.00 O ATOM 0 H ASP A 32 -7.731 6.847 3.335 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.104 8.858 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.159 6.888 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.416 5.831 4.856 1.00 0.00 H new ATOM 519 N LYS A 33 -7.278 6.664 6.464 1.00 0.00 N ATOM 520 CA LYS A 33 -6.635 6.367 7.741 1.00 0.00 C ATOM 521 C LYS A 33 -5.597 7.422 8.129 1.00 0.00 C ATOM 522 O LYS A 33 -5.764 8.133 9.122 1.00 0.00 O ATOM 523 CB LYS A 33 -5.969 4.989 7.693 1.00 0.00 C ATOM 524 CG LYS A 33 -6.946 3.833 7.809 1.00 0.00 C ATOM 525 CD LYS A 33 -6.469 2.804 8.822 1.00 0.00 C ATOM 526 CE LYS A 33 -7.493 1.699 9.022 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.081 0.747 10.089 1.00 0.00 N ATOM 0 H LYS A 33 -7.043 6.010 5.717 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.418 6.375 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.418 4.894 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.240 4.919 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.925 4.210 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.068 3.358 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.527 2.371 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.272 3.295 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.456 2.139 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.631 1.158 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.927 0.365 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.537 -0.033 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.491 1.242 10.787 1.00 0.00 H new ATOM 541 N GLU A 34 -4.534 7.524 7.342 1.00 0.00 N ATOM 542 CA GLU A 34 -3.456 8.466 7.627 1.00 0.00 C ATOM 543 C GLU A 34 -3.801 9.878 7.170 1.00 0.00 C ATOM 544 O GLU A 34 -3.763 10.822 7.959 1.00 0.00 O ATOM 545 CB GLU A 34 -2.164 8.004 6.952 1.00 0.00 C ATOM 546 CG GLU A 34 -1.645 6.677 7.481 1.00 0.00 C ATOM 547 CD GLU A 34 -1.177 6.768 8.919 1.00 0.00 C ATOM 548 OE1 GLU A 34 -2.026 6.731 9.833 1.00 0.00 O ATOM 549 OE2 GLU A 34 0.043 6.888 9.146 1.00 0.00 O ATOM 0 H GLU A 34 -4.394 6.966 6.500 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.317 8.490 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.335 7.917 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.398 8.767 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.432 5.927 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.820 6.338 6.855 1.00 0.00 H new ATOM 556 N GLY A 35 -4.132 10.024 5.899 1.00 0.00 N ATOM 557 CA GLY A 35 -4.465 11.333 5.371 1.00 0.00 C ATOM 558 C GLY A 35 -3.443 11.819 4.369 1.00 0.00 C ATOM 559 O GLY A 35 -3.070 12.991 4.364 1.00 0.00 O ATOM 0 H GLY A 35 -4.177 9.263 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.446 11.294 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.536 12.047 6.191 1.00 0.00 H new ATOM 563 N ILE A 36 -2.981 10.914 3.523 1.00 0.00 N ATOM 564 CA ILE A 36 -1.991 11.247 2.512 1.00 0.00 C ATOM 565 C ILE A 36 -2.572 11.052 1.116 1.00 0.00 C ATOM 566 O ILE A 36 -3.063 9.972 0.797 1.00 0.00 O ATOM 567 CB ILE A 36 -0.726 10.374 2.663 1.00 0.00 C ATOM 568 CG1 ILE A 36 -0.161 10.495 4.080 1.00 0.00 C ATOM 569 CG2 ILE A 36 0.325 10.773 1.635 1.00 0.00 C ATOM 570 CD1 ILE A 36 0.703 9.323 4.491 1.00 0.00 C ATOM 0 H ILE A 36 -3.277 9.938 3.516 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.716 12.292 2.651 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.001 9.334 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.426 11.411 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.987 10.591 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.209 10.147 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.079 10.640 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.598 11.818 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.068 9.478 5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.115 8.406 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.550 9.239 3.810 1.00 0.00 H new ATOM 582 N PRO A 37 -2.555 12.104 0.281 1.00 0.00 N ATOM 583 CA PRO A 37 -3.065 12.030 -1.092 1.00 0.00 C ATOM 584 C PRO A 37 -2.411 10.895 -1.884 1.00 0.00 C ATOM 585 O PRO A 37 -1.199 10.685 -1.791 1.00 0.00 O ATOM 586 CB PRO A 37 -2.681 13.386 -1.689 1.00 0.00 C ATOM 587 CG PRO A 37 -2.570 14.297 -0.518 1.00 0.00 C ATOM 588 CD PRO A 37 -2.059 13.453 0.614 1.00 0.00 C ATOM 0 HA PRO A 37 -4.135 11.827 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.739 13.326 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.436 13.737 -2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.889 15.122 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.537 14.736 -0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.971 13.478 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.440 13.796 1.576 1.00 0.00 H new ATOM 596 N PRO A 38 -3.206 10.147 -2.668 1.00 0.00 N ATOM 597 CA PRO A 38 -2.710 9.021 -3.479 1.00 0.00 C ATOM 598 C PRO A 38 -1.549 9.404 -4.400 1.00 0.00 C ATOM 599 O PRO A 38 -0.717 8.563 -4.741 1.00 0.00 O ATOM 600 CB PRO A 38 -3.929 8.617 -4.311 1.00 0.00 C ATOM 601 CG PRO A 38 -5.101 9.069 -3.514 1.00 0.00 C ATOM 602 CD PRO A 38 -4.664 10.327 -2.816 1.00 0.00 C ATOM 0 HA PRO A 38 -2.313 8.226 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.912 9.090 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.955 7.540 -4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.961 9.257 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.401 8.307 -2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.902 11.215 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.155 10.442 -1.850 1.00 0.00 H new ATOM 610 N ASP A 39 -1.465 10.683 -4.749 1.00 0.00 N ATOM 611 CA ASP A 39 -0.419 11.169 -5.649 1.00 0.00 C ATOM 612 C ASP A 39 0.942 11.209 -4.963 1.00 0.00 C ATOM 613 O ASP A 39 1.976 11.275 -5.625 1.00 0.00 O ATOM 614 CB ASP A 39 -0.762 12.566 -6.162 1.00 0.00 C ATOM 615 CG ASP A 39 -1.373 12.544 -7.546 1.00 0.00 C ATOM 616 OD1 ASP A 39 -2.612 12.453 -7.656 1.00 0.00 O ATOM 617 OD2 ASP A 39 -0.620 12.624 -8.535 1.00 0.00 O ATOM 0 H ASP A 39 -2.108 11.405 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.365 10.471 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.456 13.043 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.142 13.175 -6.177 1.00 0.00 H new ATOM 622 N GLN A 40 0.935 11.181 -3.640 1.00 0.00 N ATOM 623 CA GLN A 40 2.172 11.221 -2.872 1.00 0.00 C ATOM 624 C GLN A 40 2.488 9.851 -2.287 1.00 0.00 C ATOM 625 O GLN A 40 3.487 9.673 -1.593 1.00 0.00 O ATOM 626 CB GLN A 40 2.063 12.248 -1.743 1.00 0.00 C ATOM 627 CG GLN A 40 1.704 13.646 -2.218 1.00 0.00 C ATOM 628 CD GLN A 40 1.585 14.634 -1.075 1.00 0.00 C ATOM 629 OE1 GLN A 40 1.232 14.268 0.048 1.00 0.00 O ATOM 630 NE2 GLN A 40 1.875 15.894 -1.352 1.00 0.00 N ATOM 0 H GLN A 40 0.088 11.131 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 40 2.979 11.511 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.310 11.912 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.012 12.289 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.463 13.995 -2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.761 13.610 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.163 16.156 -2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.810 16.604 -0.623 1.00 0.00 H new ATOM 639 N GLN A 41 1.641 8.881 -2.592 1.00 0.00 N ATOM 640 CA GLN A 41 1.807 7.535 -2.071 1.00 0.00 C ATOM 641 C GLN A 41 2.322 6.567 -3.130 1.00 0.00 C ATOM 642 O GLN A 41 1.867 6.574 -4.277 1.00 0.00 O ATOM 643 CB GLN A 41 0.478 7.014 -1.529 1.00 0.00 C ATOM 644 CG GLN A 41 0.094 7.557 -0.168 1.00 0.00 C ATOM 645 CD GLN A 41 -1.091 6.814 0.410 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.933 5.777 1.039 1.00 0.00 O ATOM 647 NE2 GLN A 41 -2.286 7.340 0.203 1.00 0.00 N ATOM 0 H GLN A 41 0.830 9.002 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 41 2.547 7.592 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.311 7.261 -2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.526 5.927 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.943 7.475 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.145 8.617 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.377 8.207 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.117 6.879 0.573 1.00 0.00 H new ATOM 656 N ARG A 42 3.274 5.741 -2.730 1.00 0.00 N ATOM 657 CA ARG A 42 3.848 4.718 -3.592 1.00 0.00 C ATOM 658 C ARG A 42 3.892 3.411 -2.815 1.00 0.00 C ATOM 659 O ARG A 42 4.280 3.403 -1.651 1.00 0.00 O ATOM 660 CB ARG A 42 5.255 5.107 -4.056 1.00 0.00 C ATOM 661 CG ARG A 42 5.273 6.247 -5.060 1.00 0.00 C ATOM 662 CD ARG A 42 6.672 6.500 -5.596 1.00 0.00 C ATOM 663 NE ARG A 42 6.726 7.708 -6.413 1.00 0.00 N ATOM 664 CZ ARG A 42 7.801 8.115 -7.084 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.918 7.399 -7.064 1.00 0.00 N ATOM 666 NH2 ARG A 42 7.754 9.237 -7.786 1.00 0.00 N ATOM 0 H ARG A 42 3.674 5.760 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 42 3.231 4.609 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.849 5.390 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.735 4.235 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.603 6.014 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.894 7.154 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.370 6.592 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.995 5.644 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 42 5.883 8.279 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.957 6.530 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.737 7.718 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.895 9.787 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.576 9.551 -8.301 1.00 0.00 H new ATOM 680 N LEU A 43 3.504 2.314 -3.436 1.00 0.00 N ATOM 681 CA LEU A 43 3.493 1.034 -2.739 1.00 0.00 C ATOM 682 C LEU A 43 4.565 0.097 -3.272 1.00 0.00 C ATOM 683 O LEU A 43 4.630 -0.175 -4.464 1.00 0.00 O ATOM 684 CB LEU A 43 2.112 0.383 -2.839 1.00 0.00 C ATOM 685 CG LEU A 43 1.134 0.769 -1.726 1.00 0.00 C ATOM 686 CD1 LEU A 43 -0.273 0.306 -2.064 1.00 0.00 C ATOM 687 CD2 LEU A 43 1.580 0.180 -0.394 1.00 0.00 C ATOM 0 H LEU A 43 3.196 2.278 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 43 3.716 1.226 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.670 0.649 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.236 -0.700 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 43 1.128 1.856 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.952 0.590 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.596 0.773 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.281 -0.778 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.873 0.465 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.617 -0.907 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.570 0.560 -0.142 1.00 0.00 H new ATOM 699 N ILE A 44 5.423 -0.359 -2.377 1.00 0.00 N ATOM 700 CA ILE A 44 6.500 -1.272 -2.734 1.00 0.00 C ATOM 701 C ILE A 44 6.329 -2.622 -2.035 1.00 0.00 C ATOM 702 O ILE A 44 6.120 -2.695 -0.822 1.00 0.00 O ATOM 703 CB ILE A 44 7.892 -0.657 -2.411 1.00 0.00 C ATOM 704 CG1 ILE A 44 8.454 0.074 -3.638 1.00 0.00 C ATOM 705 CG2 ILE A 44 8.885 -1.715 -1.938 1.00 0.00 C ATOM 706 CD1 ILE A 44 7.714 1.346 -3.994 1.00 0.00 C ATOM 0 H ILE A 44 5.396 -0.110 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 44 6.449 -1.437 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 44 7.750 0.056 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.501 0.315 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.426 -0.601 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.844 -1.244 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.505 -2.193 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.016 -2.465 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.174 1.801 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.672 1.112 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.763 2.042 -3.157 1.00 0.00 H new ATOM 718 N PHE A 45 6.387 -3.686 -2.821 1.00 0.00 N ATOM 719 CA PHE A 45 6.266 -5.036 -2.301 1.00 0.00 C ATOM 720 C PHE A 45 7.459 -5.860 -2.766 1.00 0.00 C ATOM 721 O PHE A 45 7.537 -6.245 -3.934 1.00 0.00 O ATOM 722 CB PHE A 45 4.956 -5.678 -2.767 1.00 0.00 C ATOM 723 CG PHE A 45 4.622 -6.959 -2.057 1.00 0.00 C ATOM 724 CD1 PHE A 45 4.127 -6.939 -0.763 1.00 0.00 C ATOM 725 CD2 PHE A 45 4.798 -8.182 -2.686 1.00 0.00 C ATOM 726 CE1 PHE A 45 3.815 -8.116 -0.108 1.00 0.00 C ATOM 727 CE2 PHE A 45 4.488 -9.361 -2.035 1.00 0.00 C ATOM 728 CZ PHE A 45 3.995 -9.328 -0.746 1.00 0.00 C ATOM 0 H PHE A 45 6.519 -3.637 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 45 6.253 -5.002 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.142 -4.969 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.018 -5.873 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.983 -5.994 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.181 -8.214 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.431 -8.088 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.631 -10.308 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.750 -10.249 -0.237 1.00 0.00 H new ATOM 738 N ALA A 46 8.399 -6.094 -1.851 1.00 0.00 N ATOM 739 CA ALA A 46 9.611 -6.858 -2.150 1.00 0.00 C ATOM 740 C ALA A 46 10.445 -6.153 -3.222 1.00 0.00 C ATOM 741 O ALA A 46 11.107 -6.791 -4.039 1.00 0.00 O ATOM 742 CB ALA A 46 9.267 -8.284 -2.572 1.00 0.00 C ATOM 0 H ALA A 46 8.344 -5.762 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 46 10.209 -6.915 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.185 -8.831 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.729 -8.782 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.641 -8.258 -3.464 1.00 0.00 H new ATOM 748 N GLY A 47 10.404 -4.826 -3.206 1.00 0.00 N ATOM 749 CA GLY A 47 11.156 -4.037 -4.163 1.00 0.00 C ATOM 750 C GLY A 47 10.357 -3.724 -5.408 1.00 0.00 C ATOM 751 O GLY A 47 10.712 -2.832 -6.178 1.00 0.00 O ATOM 0 H GLY A 47 9.858 -4.278 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.471 -3.105 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.062 -4.576 -4.442 1.00 0.00 H new ATOM 755 N LYS A 48 9.272 -4.454 -5.603 1.00 0.00 N ATOM 756 CA LYS A 48 8.421 -4.261 -6.762 1.00 0.00 C ATOM 757 C LYS A 48 7.357 -3.212 -6.470 1.00 0.00 C ATOM 758 O LYS A 48 6.538 -3.383 -5.566 1.00 0.00 O ATOM 759 CB LYS A 48 7.768 -5.587 -7.161 1.00 0.00 C ATOM 760 CG LYS A 48 8.775 -6.670 -7.518 1.00 0.00 C ATOM 761 CD LYS A 48 8.105 -8.016 -7.740 1.00 0.00 C ATOM 762 CE LYS A 48 7.967 -8.798 -6.440 1.00 0.00 C ATOM 763 NZ LYS A 48 7.487 -10.185 -6.678 1.00 0.00 N ATOM 0 H LYS A 48 8.959 -5.189 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 48 9.033 -3.908 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.143 -5.938 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.109 -5.418 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.315 -6.380 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.512 -6.758 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.119 -7.864 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.686 -8.598 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.930 -8.829 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.272 -8.282 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.406 -10.685 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.556 -10.156 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.163 -10.686 -7.290 1.00 0.00 H new ATOM 777 N GLN A 49 7.390 -2.121 -7.218 1.00 0.00 N ATOM 778 CA GLN A 49 6.426 -1.047 -7.045 1.00 0.00 C ATOM 779 C GLN A 49 5.063 -1.472 -7.577 1.00 0.00 C ATOM 780 O GLN A 49 4.947 -1.931 -8.716 1.00 0.00 O ATOM 781 CB GLN A 49 6.899 0.224 -7.757 1.00 0.00 C ATOM 782 CG GLN A 49 5.941 1.397 -7.608 1.00 0.00 C ATOM 783 CD GLN A 49 6.408 2.632 -8.350 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.078 3.496 -7.783 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.062 2.723 -9.625 1.00 0.00 N ATOM 0 H GLN A 49 8.077 -1.956 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 49 6.338 -0.832 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.874 0.510 -7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.034 0.008 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.958 1.107 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.827 1.635 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.506 1.985 -10.057 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.351 3.531 -10.176 1.00 0.00 H new ATOM 794 N LEU A 50 4.048 -1.327 -6.743 1.00 0.00 N ATOM 795 CA LEU A 50 2.691 -1.691 -7.105 1.00 0.00 C ATOM 796 C LEU A 50 2.001 -0.521 -7.788 1.00 0.00 C ATOM 797 O LEU A 50 1.817 0.543 -7.188 1.00 0.00 O ATOM 798 CB LEU A 50 1.896 -2.107 -5.862 1.00 0.00 C ATOM 799 CG LEU A 50 2.635 -3.025 -4.881 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.741 -3.373 -3.702 1.00 0.00 C ATOM 801 CD2 LEU A 50 3.108 -4.290 -5.578 1.00 0.00 C ATOM 0 H LEU A 50 4.142 -0.954 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 50 2.733 -2.535 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.591 -1.206 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.985 -2.610 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 50 3.510 -2.492 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.281 -4.025 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.452 -2.459 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.848 -3.884 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.630 -4.926 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.249 -4.826 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.785 -4.026 -6.390 1.00 0.00 H new ATOM 813 N GLU A 51 1.638 -0.713 -9.046 1.00 0.00 N ATOM 814 CA GLU A 51 0.969 0.324 -9.813 1.00 0.00 C ATOM 815 C GLU A 51 -0.506 0.401 -9.428 1.00 0.00 C ATOM 816 O GLU A 51 -1.131 -0.618 -9.134 1.00 0.00 O ATOM 817 CB GLU A 51 1.114 0.055 -11.311 1.00 0.00 C ATOM 818 CG GLU A 51 0.726 1.237 -12.183 1.00 0.00 C ATOM 819 CD GLU A 51 0.836 0.931 -13.660 1.00 0.00 C ATOM 820 OE1 GLU A 51 1.939 0.560 -14.113 1.00 0.00 O ATOM 821 OE2 GLU A 51 -0.177 1.068 -14.376 1.00 0.00 O ATOM 0 H GLU A 51 1.796 -1.581 -9.558 1.00 0.00 H new ATOM 0 HA GLU A 51 1.438 1.281 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.147 -0.219 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.496 -0.802 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.297 1.533 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.366 2.086 -11.943 1.00 0.00 H new ATOM 828 N ASP A 52 -1.052 1.612 -9.444 1.00 0.00 N ATOM 829 CA ASP A 52 -2.452 1.846 -9.087 1.00 0.00 C ATOM 830 C ASP A 52 -3.406 1.050 -9.969 1.00 0.00 C ATOM 831 O ASP A 52 -4.469 0.620 -9.517 1.00 0.00 O ATOM 832 CB ASP A 52 -2.783 3.335 -9.191 1.00 0.00 C ATOM 833 CG ASP A 52 -2.451 4.093 -7.924 1.00 0.00 C ATOM 834 OD1 ASP A 52 -1.388 3.825 -7.325 1.00 0.00 O ATOM 835 OD2 ASP A 52 -3.244 4.970 -7.526 1.00 0.00 O ATOM 0 H ASP A 52 -0.542 2.457 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.584 1.509 -8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.232 3.769 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.843 3.453 -9.414 1.00 0.00 H new ATOM 840 N GLY A 53 -3.019 0.842 -11.223 1.00 0.00 N ATOM 841 CA GLY A 53 -3.853 0.096 -12.148 1.00 0.00 C ATOM 842 C GLY A 53 -3.623 -1.402 -12.067 1.00 0.00 C ATOM 843 O GLY A 53 -3.670 -2.102 -13.078 1.00 0.00 O ATOM 0 H GLY A 53 -2.140 1.178 -11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.901 0.310 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.654 0.435 -13.165 1.00 0.00 H new ATOM 847 N ARG A 54 -3.356 -1.893 -10.867 1.00 0.00 N ATOM 848 CA ARG A 54 -3.123 -3.313 -10.651 1.00 0.00 C ATOM 849 C ARG A 54 -3.926 -3.796 -9.455 1.00 0.00 C ATOM 850 O ARG A 54 -4.380 -2.991 -8.642 1.00 0.00 O ATOM 851 CB ARG A 54 -1.636 -3.592 -10.410 1.00 0.00 C ATOM 852 CG ARG A 54 -0.746 -3.294 -11.603 1.00 0.00 C ATOM 853 CD ARG A 54 -1.068 -4.191 -12.787 1.00 0.00 C ATOM 854 NE ARG A 54 -0.167 -3.945 -13.910 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.339 -2.973 -14.807 1.00 0.00 C ATOM 856 NH1 ARG A 54 -1.405 -2.182 -14.744 1.00 0.00 N ATOM 857 NH2 ARG A 54 0.548 -2.799 -15.774 1.00 0.00 N ATOM 0 H ARG A 54 -3.295 -1.325 -10.022 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.440 -3.848 -11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.299 -2.996 -9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.515 -4.639 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.866 -2.251 -11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.298 -3.427 -11.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.995 -5.235 -12.483 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.098 -4.022 -13.102 1.00 0.00 H new ATOM 0 HE ARG A 54 0.644 -4.554 -14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.097 -2.317 -14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.531 -1.440 -15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.364 -3.408 -15.834 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.416 -2.055 -16.460 1.00 0.00 H new ATOM 871 N THR A 55 -4.106 -5.101 -9.356 1.00 0.00 N ATOM 872 CA THR A 55 -4.843 -5.686 -8.251 1.00 0.00 C ATOM 873 C THR A 55 -3.905 -6.474 -7.349 1.00 0.00 C ATOM 874 O THR A 55 -2.732 -6.669 -7.680 1.00 0.00 O ATOM 875 CB THR A 55 -5.965 -6.622 -8.747 1.00 0.00 C ATOM 876 OG1 THR A 55 -5.403 -7.708 -9.495 1.00 0.00 O ATOM 877 CG2 THR A 55 -6.962 -5.870 -9.615 1.00 0.00 C ATOM 0 H THR A 55 -3.750 -5.778 -10.031 1.00 0.00 H new ATOM 0 HA THR A 55 -5.295 -4.865 -7.694 1.00 0.00 H new ATOM 0 HB THR A 55 -6.490 -7.011 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.982 -7.361 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.741 -6.554 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.412 -5.063 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.448 -5.453 -10.481 1.00 0.00 H new ATOM 885 N LEU A 56 -4.424 -6.941 -6.222 1.00 0.00 N ATOM 886 CA LEU A 56 -3.629 -7.724 -5.286 1.00 0.00 C ATOM 887 C LEU A 56 -3.394 -9.132 -5.830 1.00 0.00 C ATOM 888 O LEU A 56 -2.677 -9.931 -5.229 1.00 0.00 O ATOM 889 CB LEU A 56 -4.313 -7.787 -3.920 1.00 0.00 C ATOM 890 CG LEU A 56 -4.327 -6.471 -3.134 1.00 0.00 C ATOM 891 CD1 LEU A 56 -4.950 -6.675 -1.764 1.00 0.00 C ATOM 892 CD2 LEU A 56 -2.919 -5.909 -2.998 1.00 0.00 C ATOM 0 H LEU A 56 -5.391 -6.792 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.663 -7.234 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.342 -8.117 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.815 -8.546 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.932 -5.752 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.951 -5.730 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.975 -7.029 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.372 -7.413 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.953 -4.975 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.290 -6.627 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.504 -5.722 -3.989 1.00 0.00 H new ATOM 904 N SER A 57 -3.990 -9.424 -6.977 1.00 0.00 N ATOM 905 CA SER A 57 -3.835 -10.723 -7.608 1.00 0.00 C ATOM 906 C SER A 57 -2.751 -10.662 -8.679 1.00 0.00 C ATOM 907 O SER A 57 -2.216 -11.688 -9.095 1.00 0.00 O ATOM 908 CB SER A 57 -5.158 -11.177 -8.227 1.00 0.00 C ATOM 909 OG SER A 57 -6.166 -11.308 -7.238 1.00 0.00 O ATOM 0 H SER A 57 -4.587 -8.775 -7.490 1.00 0.00 H new ATOM 0 HA SER A 57 -3.540 -11.445 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.476 -10.458 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.017 -12.131 -8.735 1.00 0.00 H new ATOM 0 HG SER A 57 -6.386 -10.424 -6.876 1.00 0.00 H new ATOM 915 N ASP A 58 -2.409 -9.446 -9.096 1.00 0.00 N ATOM 916 CA ASP A 58 -1.395 -9.241 -10.126 1.00 0.00 C ATOM 917 C ASP A 58 -0.021 -9.655 -9.627 1.00 0.00 C ATOM 918 O ASP A 58 0.625 -10.526 -10.205 1.00 0.00 O ATOM 919 CB ASP A 58 -1.368 -7.778 -10.573 1.00 0.00 C ATOM 920 CG ASP A 58 -2.444 -7.461 -11.591 1.00 0.00 C ATOM 921 OD1 ASP A 58 -2.201 -7.659 -12.798 1.00 0.00 O ATOM 922 OD2 ASP A 58 -3.538 -7.017 -11.185 1.00 0.00 O ATOM 0 H ASP A 58 -2.821 -8.585 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.657 -9.866 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.495 -7.134 -9.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.391 -7.550 -10.999 1.00 0.00 H new ATOM 927 N TYR A 59 0.410 -9.035 -8.537 1.00 0.00 N ATOM 928 CA TYR A 59 1.714 -9.338 -7.949 1.00 0.00 C ATOM 929 C TYR A 59 1.608 -10.532 -7.004 1.00 0.00 C ATOM 930 O TYR A 59 2.584 -10.904 -6.352 1.00 0.00 O ATOM 931 CB TYR A 59 2.261 -8.130 -7.182 1.00 0.00 C ATOM 932 CG TYR A 59 2.276 -6.838 -7.972 1.00 0.00 C ATOM 933 CD1 TYR A 59 1.152 -6.021 -8.024 1.00 0.00 C ATOM 934 CD2 TYR A 59 3.417 -6.427 -8.652 1.00 0.00 C ATOM 935 CE1 TYR A 59 1.163 -4.837 -8.732 1.00 0.00 C ATOM 936 CE2 TYR A 59 3.436 -5.240 -9.360 1.00 0.00 C ATOM 937 CZ TYR A 59 2.307 -4.450 -9.397 1.00 0.00 C ATOM 938 OH TYR A 59 2.320 -3.267 -10.104 1.00 0.00 O ATOM 0 H TYR A 59 -0.121 -8.320 -8.040 1.00 0.00 H new ATOM 0 HA TYR A 59 2.399 -9.580 -8.762 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.662 -7.985 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.277 -8.353 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.255 -6.318 -7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.302 -7.045 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.280 -4.216 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.331 -4.933 -9.881 1.00 0.00 H new ATOM 0 HH TYR A 59 3.201 -3.140 -10.513 1.00 0.00 H new ATOM 948 N ASN A 60 0.414 -11.119 -6.945 1.00 0.00 N ATOM 949 CA ASN A 60 0.138 -12.270 -6.085 1.00 0.00 C ATOM 950 C ASN A 60 0.388 -11.925 -4.617 1.00 0.00 C ATOM 951 O ASN A 60 1.394 -12.324 -4.029 1.00 0.00 O ATOM 952 CB ASN A 60 0.980 -13.483 -6.503 1.00 0.00 C ATOM 953 CG ASN A 60 0.586 -14.755 -5.771 1.00 0.00 C ATOM 954 OD1 ASN A 60 -0.569 -14.932 -5.379 1.00 0.00 O ATOM 955 ND2 ASN A 60 1.542 -15.651 -5.584 1.00 0.00 N ATOM 0 H ASN A 60 -0.390 -10.811 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.914 -12.529 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.875 -13.640 -7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.032 -13.272 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.334 -16.525 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.486 -15.468 -5.923 1.00 0.00 H new ATOM 962 N ILE A 61 -0.527 -11.159 -4.041 1.00 0.00 N ATOM 963 CA ILE A 61 -0.425 -10.756 -2.646 1.00 0.00 C ATOM 964 C ILE A 61 -1.228 -11.710 -1.766 1.00 0.00 C ATOM 965 O ILE A 61 -2.420 -11.934 -1.998 1.00 0.00 O ATOM 966 CB ILE A 61 -0.909 -9.294 -2.443 1.00 0.00 C ATOM 967 CG1 ILE A 61 0.206 -8.307 -2.800 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.383 -9.052 -1.018 1.00 0.00 C ATOM 969 CD1 ILE A 61 0.215 -7.895 -4.255 1.00 0.00 C ATOM 0 H ILE A 61 -1.353 -10.802 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 61 0.625 -10.801 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.756 -9.134 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.102 -7.416 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.168 -8.756 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.714 -8.018 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.212 -9.722 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.563 -9.241 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.032 -7.196 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.351 -8.776 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.732 -7.416 -4.503 1.00 0.00 H new ATOM 981 N GLN A 62 -0.562 -12.287 -0.777 1.00 0.00 N ATOM 982 CA GLN A 62 -1.196 -13.225 0.140 1.00 0.00 C ATOM 983 C GLN A 62 -1.853 -12.489 1.301 1.00 0.00 C ATOM 984 O GLN A 62 -1.754 -11.267 1.413 1.00 0.00 O ATOM 985 CB GLN A 62 -0.170 -14.222 0.688 1.00 0.00 C ATOM 986 CG GLN A 62 0.420 -15.157 -0.359 1.00 0.00 C ATOM 987 CD GLN A 62 1.441 -14.476 -1.249 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.067 -13.488 -0.859 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.628 -15.008 -2.443 1.00 0.00 N ATOM 0 H GLN A 62 0.426 -12.121 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.961 -13.766 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.641 -13.668 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.643 -14.820 1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.889 -16.005 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.384 -15.556 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.089 -15.826 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.312 -14.601 -3.081 1.00 0.00 H new ATOM 998 N LYS A 63 -2.520 -13.241 2.161 1.00 0.00 N ATOM 999 CA LYS A 63 -3.184 -12.670 3.322 1.00 0.00 C ATOM 1000 C LYS A 63 -2.163 -12.352 4.409 1.00 0.00 C ATOM 1001 O LYS A 63 -1.207 -13.107 4.611 1.00 0.00 O ATOM 1002 CB LYS A 63 -4.254 -13.628 3.852 1.00 0.00 C ATOM 1003 CG LYS A 63 -3.760 -15.054 4.046 1.00 0.00 C ATOM 1004 CD LYS A 63 -3.847 -15.484 5.500 1.00 0.00 C ATOM 1005 CE LYS A 63 -5.289 -15.570 5.971 1.00 0.00 C ATOM 1006 NZ LYS A 63 -5.383 -15.602 7.452 1.00 0.00 N ATOM 0 H LYS A 63 -2.616 -14.253 2.077 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.673 -11.743 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.627 -13.250 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.096 -13.636 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.351 -15.731 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.728 -15.132 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.365 -16.454 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.301 -14.775 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.848 -14.715 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.754 -16.465 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.305 -15.993 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.623 -16.199 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.287 -14.637 7.827 1.00 0.00 H new ATOM 1020 N GLU A 64 -2.376 -11.234 5.100 1.00 0.00 N ATOM 1021 CA GLU A 64 -1.480 -10.780 6.161 1.00 0.00 C ATOM 1022 C GLU A 64 -0.087 -10.510 5.601 1.00 0.00 C ATOM 1023 O GLU A 64 0.934 -10.831 6.215 1.00 0.00 O ATOM 1024 CB GLU A 64 -1.436 -11.787 7.314 1.00 0.00 C ATOM 1025 CG GLU A 64 -2.603 -11.640 8.277 1.00 0.00 C ATOM 1026 CD GLU A 64 -3.403 -12.915 8.431 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -3.045 -13.746 9.290 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -4.398 -13.091 7.702 1.00 0.00 O ATOM 0 H GLU A 64 -3.173 -10.618 4.940 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.869 -9.845 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.434 -12.798 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.502 -11.663 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.226 -11.333 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.260 -10.845 7.925 1.00 0.00 H new ATOM 1035 N SER A 65 -0.072 -9.906 4.424 1.00 0.00 N ATOM 1036 CA SER A 65 1.161 -9.563 3.741 1.00 0.00 C ATOM 1037 C SER A 65 1.730 -8.266 4.306 1.00 0.00 C ATOM 1038 O SER A 65 0.996 -7.451 4.866 1.00 0.00 O ATOM 1039 CB SER A 65 0.888 -9.416 2.247 1.00 0.00 C ATOM 1040 OG SER A 65 -0.457 -9.025 2.024 1.00 0.00 O ATOM 0 H SER A 65 -0.916 -9.640 3.916 1.00 0.00 H new ATOM 0 HA SER A 65 1.893 -10.356 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.564 -8.676 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.087 -10.360 1.740 1.00 0.00 H new ATOM 0 HG SER A 65 -0.979 -9.801 1.730 1.00 0.00 H new ATOM 1046 N THR A 66 3.034 -8.080 4.171 1.00 0.00 N ATOM 1047 CA THR A 66 3.677 -6.878 4.666 1.00 0.00 C ATOM 1048 C THR A 66 3.997 -5.927 3.513 1.00 0.00 C ATOM 1049 O THR A 66 5.067 -5.997 2.902 1.00 0.00 O ATOM 1050 CB THR A 66 4.964 -7.215 5.446 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.723 -8.340 6.305 1.00 0.00 O ATOM 1052 CG2 THR A 66 5.419 -6.026 6.278 1.00 0.00 C ATOM 0 H THR A 66 3.664 -8.746 3.724 1.00 0.00 H new ATOM 0 HA THR A 66 2.983 -6.387 5.348 1.00 0.00 H new ATOM 0 HB THR A 66 5.750 -7.457 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.541 -8.555 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.328 -6.287 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.618 -5.178 5.623 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.637 -5.759 6.989 1.00 0.00 H new ATOM 1060 N LEU A 67 3.046 -5.052 3.211 1.00 0.00 N ATOM 1061 CA LEU A 67 3.203 -4.081 2.139 1.00 0.00 C ATOM 1062 C LEU A 67 3.996 -2.884 2.639 1.00 0.00 C ATOM 1063 O LEU A 67 3.737 -2.370 3.720 1.00 0.00 O ATOM 1064 CB LEU A 67 1.837 -3.614 1.618 1.00 0.00 C ATOM 1065 CG LEU A 67 1.055 -4.643 0.794 1.00 0.00 C ATOM 1066 CD1 LEU A 67 0.270 -5.581 1.697 1.00 0.00 C ATOM 1067 CD2 LEU A 67 0.122 -3.938 -0.180 1.00 0.00 C ATOM 0 H LEU A 67 2.152 -4.996 3.698 1.00 0.00 H new ATOM 0 HA LEU A 67 3.740 -4.559 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.225 -3.317 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.986 -2.724 1.007 1.00 0.00 H new ATOM 0 HG LEU A 67 1.769 -5.240 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.276 -6.301 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.957 -6.111 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.435 -5.004 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.428 -4.680 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.581 -3.317 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.706 -3.311 -0.854 1.00 0.00 H new ATOM 1079 N HIS A 68 4.968 -2.451 1.859 1.00 0.00 N ATOM 1080 CA HIS A 68 5.791 -1.315 2.247 1.00 0.00 C ATOM 1081 C HIS A 68 5.384 -0.059 1.497 1.00 0.00 C ATOM 1082 O HIS A 68 5.522 0.018 0.280 1.00 0.00 O ATOM 1083 CB HIS A 68 7.271 -1.619 2.019 1.00 0.00 C ATOM 1084 CG HIS A 68 7.931 -2.213 3.221 1.00 0.00 C ATOM 1085 ND1 HIS A 68 8.026 -3.573 3.438 1.00 0.00 N ATOM 1086 CD2 HIS A 68 8.513 -1.624 4.290 1.00 0.00 C ATOM 1087 CE1 HIS A 68 8.631 -3.791 4.590 1.00 0.00 C ATOM 1088 NE2 HIS A 68 8.937 -2.626 5.125 1.00 0.00 N ATOM 0 H HIS A 68 5.208 -2.864 0.958 1.00 0.00 H new ATOM 0 HA HIS A 68 5.633 -1.137 3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.371 -2.306 1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.788 -0.700 1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.623 -0.562 4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.840 -4.759 5.021 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.413 -2.491 6.017 1.00 0.00 H new ATOM 1097 N LEU A 69 4.867 0.921 2.222 1.00 0.00 N ATOM 1098 CA LEU A 69 4.446 2.171 1.615 1.00 0.00 C ATOM 1099 C LEU A 69 5.596 3.167 1.617 1.00 0.00 C ATOM 1100 O LEU A 69 6.183 3.457 2.660 1.00 0.00 O ATOM 1101 CB LEU A 69 3.245 2.751 2.370 1.00 0.00 C ATOM 1102 CG LEU A 69 2.756 4.116 1.876 1.00 0.00 C ATOM 1103 CD1 LEU A 69 2.005 3.974 0.562 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.876 4.778 2.925 1.00 0.00 C ATOM 0 H LEU A 69 4.729 0.873 3.232 1.00 0.00 H new ATOM 0 HA LEU A 69 4.150 1.976 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.419 2.043 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.507 2.838 3.424 1.00 0.00 H new ATOM 0 HG LEU A 69 3.626 4.750 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.666 4.955 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.666 3.543 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.143 3.322 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.538 5.747 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.012 4.145 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.447 4.918 3.843 1.00 0.00 H new ATOM 1116 N VAL A 70 5.910 3.679 0.443 1.00 0.00 N ATOM 1117 CA VAL A 70 6.985 4.637 0.285 1.00 0.00 C ATOM 1118 C VAL A 70 6.419 6.021 0.003 1.00 0.00 C ATOM 1119 O VAL A 70 5.503 6.176 -0.807 1.00 0.00 O ATOM 1120 CB VAL A 70 7.933 4.227 -0.865 1.00 0.00 C ATOM 1121 CG1 VAL A 70 9.069 5.228 -1.018 1.00 0.00 C ATOM 1122 CG2 VAL A 70 8.479 2.826 -0.632 1.00 0.00 C ATOM 0 H VAL A 70 5.429 3.443 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 70 7.553 4.656 1.215 1.00 0.00 H new ATOM 0 HB VAL A 70 7.360 4.224 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.721 4.916 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.658 6.213 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.642 5.272 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.144 2.554 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.031 2.802 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.653 2.117 -0.585 1.00 0.00 H new ATOM 1132 N LEU A 71 6.959 7.018 0.679 1.00 0.00 N ATOM 1133 CA LEU A 71 6.522 8.388 0.499 1.00 0.00 C ATOM 1134 C LEU A 71 7.672 9.198 -0.072 1.00 0.00 C ATOM 1135 O LEU A 71 8.795 9.119 0.421 1.00 0.00 O ATOM 1136 CB LEU A 71 6.049 8.989 1.826 1.00 0.00 C ATOM 1137 CG LEU A 71 4.795 8.342 2.422 1.00 0.00 C ATOM 1138 CD1 LEU A 71 4.510 8.904 3.807 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.596 8.554 1.509 1.00 0.00 C ATOM 0 H LEU A 71 7.707 6.902 1.363 1.00 0.00 H new ATOM 0 HA LEU A 71 5.679 8.410 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.859 8.911 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.855 10.051 1.677 1.00 0.00 H new ATOM 0 HG LEU A 71 4.975 7.271 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.616 8.432 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.357 8.702 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.353 9.980 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.716 8.087 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.417 9.622 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.796 8.105 0.536 1.00 0.00 H new ATOM 1151 N ARG A 72 7.403 9.949 -1.125 1.00 0.00 N ATOM 1152 CA ARG A 72 8.438 10.750 -1.752 1.00 0.00 C ATOM 1153 C ARG A 72 8.339 12.201 -1.307 1.00 0.00 C ATOM 1154 O ARG A 72 7.369 12.895 -1.624 1.00 0.00 O ATOM 1155 CB ARG A 72 8.354 10.647 -3.275 1.00 0.00 C ATOM 1156 CG ARG A 72 9.581 10.005 -3.902 1.00 0.00 C ATOM 1157 CD ARG A 72 10.834 10.822 -3.627 1.00 0.00 C ATOM 1158 NE ARG A 72 12.039 10.185 -4.152 1.00 0.00 N ATOM 1159 CZ ARG A 72 12.895 10.778 -4.987 1.00 0.00 C ATOM 1160 NH1 ARG A 72 12.652 12.004 -5.441 1.00 0.00 N ATOM 1161 NH2 ARG A 72 13.987 10.134 -5.374 1.00 0.00 N ATOM 0 H ARG A 72 6.484 10.021 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 72 9.406 10.361 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.471 10.068 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.221 11.645 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.708 8.997 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.435 9.910 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.725 11.811 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.942 10.967 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 72 12.239 9.228 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.807 12.497 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.310 12.451 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.170 9.190 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.644 10.582 -6.012 1.00 0.00 H new ATOM 1175 N LEU A 73 9.345 12.645 -0.570 1.00 0.00 N ATOM 1176 CA LEU A 73 9.386 14.011 -0.069 1.00 0.00 C ATOM 1177 C LEU A 73 9.565 14.996 -1.218 1.00 0.00 C ATOM 1178 O LEU A 73 10.583 14.984 -1.914 1.00 0.00 O ATOM 1179 CB LEU A 73 10.519 14.174 0.948 1.00 0.00 C ATOM 1180 CG LEU A 73 10.456 13.223 2.146 1.00 0.00 C ATOM 1181 CD1 LEU A 73 11.679 13.404 3.029 1.00 0.00 C ATOM 1182 CD2 LEU A 73 9.183 13.450 2.948 1.00 0.00 C ATOM 0 H LEU A 73 10.149 12.076 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 73 8.439 14.223 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.470 14.027 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.511 15.200 1.317 1.00 0.00 H new ATOM 0 HG LEU A 73 10.445 12.200 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.620 12.721 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.579 13.190 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.717 14.431 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.159 12.764 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.161 14.477 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.316 13.272 2.312 1.00 0.00 H new ATOM 1194 N ARG A 74 8.564 15.839 -1.416 1.00 0.00 N ATOM 1195 CA ARG A 74 8.593 16.829 -2.482 1.00 0.00 C ATOM 1196 C ARG A 74 9.278 18.105 -2.010 1.00 0.00 C ATOM 1197 O ARG A 74 9.703 18.932 -2.817 1.00 0.00 O ATOM 1198 CB ARG A 74 7.173 17.146 -2.952 1.00 0.00 C ATOM 1199 CG ARG A 74 6.409 15.937 -3.468 1.00 0.00 C ATOM 1200 CD ARG A 74 7.148 15.247 -4.603 1.00 0.00 C ATOM 1201 NE ARG A 74 6.238 14.499 -5.468 1.00 0.00 N ATOM 1202 CZ ARG A 74 6.003 14.799 -6.746 1.00 0.00 C ATOM 1203 NH1 ARG A 74 6.623 15.823 -7.325 1.00 0.00 N ATOM 1204 NH2 ARG A 74 5.141 14.073 -7.445 1.00 0.00 N ATOM 0 H ARG A 74 7.716 15.857 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 74 9.159 16.415 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.618 17.588 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.221 17.897 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.253 15.230 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.423 16.249 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.682 15.991 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.896 14.570 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 74 5.752 13.696 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.285 16.387 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.437 16.045 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.660 13.288 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.959 14.299 -8.423 1.00 0.00 H new ATOM 1218 N GLY A 75 9.375 18.254 -0.699 1.00 0.00 N ATOM 1219 CA GLY A 75 10.008 19.421 -0.127 1.00 0.00 C ATOM 1220 C GLY A 75 11.130 19.044 0.813 1.00 0.00 C ATOM 1221 O GLY A 75 11.042 18.041 1.525 1.00 0.00 O ATOM 0 H GLY A 75 9.024 17.582 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.399 20.051 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.266 20.011 0.410 1.00 0.00 H new ATOM 1225 N GLY A 76 12.184 19.841 0.812 1.00 0.00 N ATOM 1226 CA GLY A 76 13.317 19.578 1.668 1.00 0.00 C ATOM 1227 C GLY A 76 14.322 20.701 1.610 1.00 0.00 C ATOM 1228 O GLY A 76 15.188 20.681 0.712 1.00 0.00 O ATOM 1229 OXT GLY A 76 14.240 21.622 2.449 1.00 0.00 O ATOM 0 H GLY A 76 12.275 20.672 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.976 19.445 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.794 18.645 1.367 1.00 0.00 H new TER 1233 GLY A 76 ATOM 1234 N GLY B 536 36.114 -12.012 10.408 1.00 0.00 N ATOM 1235 CA GLY B 536 37.200 -11.101 10.840 1.00 0.00 C ATOM 1236 C GLY B 536 36.956 -9.678 10.394 1.00 0.00 C ATOM 1237 O GLY B 536 36.008 -9.034 10.840 1.00 0.00 O ATOM 0 HA2 GLY B 536 37.287 -11.131 11.926 1.00 0.00 H new ATOM 0 HA3 GLY B 536 38.149 -11.450 10.434 1.00 0.00 H new ATOM 1243 N SER B 537 37.804 -9.186 9.506 1.00 0.00 N ATOM 1244 CA SER B 537 37.673 -7.829 9.003 1.00 0.00 C ATOM 1245 C SER B 537 37.649 -7.824 7.477 1.00 0.00 C ATOM 1246 O SER B 537 38.695 -7.783 6.829 1.00 0.00 O ATOM 1247 CB SER B 537 38.826 -6.970 9.520 1.00 0.00 C ATOM 1248 OG SER B 537 39.361 -7.510 10.718 1.00 0.00 O ATOM 0 H SER B 537 38.591 -9.707 9.118 1.00 0.00 H new ATOM 0 HA SER B 537 36.732 -7.411 9.361 1.00 0.00 H new ATOM 0 HB2 SER B 537 39.608 -6.909 8.763 1.00 0.00 H new ATOM 0 HB3 SER B 537 38.476 -5.953 9.699 1.00 0.00 H new ATOM 0 HG SER B 537 40.099 -6.946 11.030 1.00 0.00 H new ATOM 1254 N PRO B 538 36.450 -7.887 6.883 1.00 0.00 N ATOM 1255 CA PRO B 538 36.282 -7.891 5.439 1.00 0.00 C ATOM 1256 C PRO B 538 36.125 -6.480 4.884 1.00 0.00 C ATOM 1257 O PRO B 538 36.468 -5.497 5.549 1.00 0.00 O ATOM 1258 CB PRO B 538 34.989 -8.683 5.276 1.00 0.00 C ATOM 1259 CG PRO B 538 34.175 -8.318 6.475 1.00 0.00 C ATOM 1260 CD PRO B 538 35.149 -7.953 7.573 1.00 0.00 C ATOM 0 HA PRO B 538 37.136 -8.309 4.905 1.00 0.00 H new ATOM 0 HB2 PRO B 538 34.475 -8.419 4.352 1.00 0.00 H new ATOM 0 HB3 PRO B 538 35.182 -9.755 5.238 1.00 0.00 H new ATOM 0 HG2 PRO B 538 33.513 -7.481 6.252 1.00 0.00 H new ATOM 0 HG3 PRO B 538 33.543 -9.152 6.781 1.00 0.00 H new ATOM 0 HD2 PRO B 538 34.892 -6.999 8.034 1.00 0.00 H new ATOM 0 HD3 PRO B 538 35.155 -8.700 8.367 1.00 0.00 H new ATOM 1268 N GLU B 539 35.605 -6.377 3.673 1.00 0.00 N ATOM 1269 CA GLU B 539 35.394 -5.083 3.055 1.00 0.00 C ATOM 1270 C GLU B 539 33.941 -4.937 2.631 1.00 0.00 C ATOM 1271 O GLU B 539 33.294 -5.912 2.250 1.00 0.00 O ATOM 1272 CB GLU B 539 36.335 -4.893 1.866 1.00 0.00 C ATOM 1273 CG GLU B 539 36.150 -5.912 0.759 1.00 0.00 C ATOM 1274 CD GLU B 539 37.274 -5.865 -0.248 1.00 0.00 C ATOM 1275 OE1 GLU B 539 37.290 -4.934 -1.081 1.00 0.00 O ATOM 1276 OE2 GLU B 539 38.151 -6.751 -0.206 1.00 0.00 O ATOM 0 H GLU B 539 35.322 -7.173 3.101 1.00 0.00 H new ATOM 0 HA GLU B 539 35.619 -4.305 3.785 1.00 0.00 H new ATOM 0 HB2 GLU B 539 36.186 -3.895 1.455 1.00 0.00 H new ATOM 0 HB3 GLU B 539 37.365 -4.941 2.220 1.00 0.00 H new ATOM 0 HG2 GLU B 539 36.093 -6.911 1.192 1.00 0.00 H new ATOM 0 HG3 GLU B 539 35.202 -5.729 0.253 1.00 0.00 H new ATOM 1283 N PHE B 540 33.430 -3.719 2.702 1.00 0.00 N ATOM 1284 CA PHE B 540 32.043 -3.450 2.342 1.00 0.00 C ATOM 1285 C PHE B 540 31.897 -3.250 0.839 1.00 0.00 C ATOM 1286 O PHE B 540 30.790 -3.278 0.305 1.00 0.00 O ATOM 1287 CB PHE B 540 31.531 -2.223 3.097 1.00 0.00 C ATOM 1288 CG PHE B 540 31.641 -2.356 4.592 1.00 0.00 C ATOM 1289 CD1 PHE B 540 31.032 -3.411 5.253 1.00 0.00 C ATOM 1290 CD2 PHE B 540 32.358 -1.431 5.334 1.00 0.00 C ATOM 1291 CE1 PHE B 540 31.132 -3.539 6.625 1.00 0.00 C ATOM 1292 CE2 PHE B 540 32.462 -1.553 6.706 1.00 0.00 C ATOM 1293 CZ PHE B 540 31.849 -2.609 7.353 1.00 0.00 C ATOM 0 H PHE B 540 33.954 -2.898 3.006 1.00 0.00 H new ATOM 0 HA PHE B 540 31.443 -4.314 2.626 1.00 0.00 H new ATOM 0 HB2 PHE B 540 32.093 -1.346 2.775 1.00 0.00 H new ATOM 0 HB3 PHE B 540 30.488 -2.050 2.830 1.00 0.00 H new ATOM 0 HD1 PHE B 540 30.472 -4.142 4.689 1.00 0.00 H new ATOM 0 HD2 PHE B 540 32.841 -0.605 4.834 1.00 0.00 H new ATOM 0 HE1 PHE B 540 30.650 -4.365 7.128 1.00 0.00 H new ATOM 0 HE2 PHE B 540 33.022 -0.824 7.273 1.00 0.00 H new ATOM 0 HZ PHE B 540 31.930 -2.707 8.425 1.00 0.00 H new ATOM 1303 N GLN B 541 33.027 -3.055 0.169 1.00 0.00 N ATOM 1304 CA GLN B 541 33.045 -2.857 -1.276 1.00 0.00 C ATOM 1305 C GLN B 541 32.667 -4.146 -2.003 1.00 0.00 C ATOM 1306 O GLN B 541 32.132 -4.113 -3.112 1.00 0.00 O ATOM 1307 CB GLN B 541 34.439 -2.398 -1.721 1.00 0.00 C ATOM 1308 CG GLN B 541 34.574 -2.184 -3.220 1.00 0.00 C ATOM 1309 CD GLN B 541 36.015 -2.032 -3.658 1.00 0.00 C ATOM 1310 OE1 GLN B 541 36.690 -3.015 -3.966 1.00 0.00 O ATOM 1311 NE2 GLN B 541 36.498 -0.803 -3.688 1.00 0.00 N ATOM 0 H GLN B 541 33.948 -3.030 0.606 1.00 0.00 H new ATOM 0 HA GLN B 541 32.313 -2.090 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN B 541 34.684 -1.468 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN B 541 35.172 -3.139 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN B 541 34.125 -3.027 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN B 541 34.015 -1.294 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN B 541 35.905 -0.016 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN B 541 37.464 -0.641 -3.974 1.00 0.00 H new ATOM 1320 N ASN B 542 32.936 -5.277 -1.362 1.00 0.00 N ATOM 1321 CA ASN B 542 32.640 -6.576 -1.951 1.00 0.00 C ATOM 1322 C ASN B 542 31.143 -6.870 -1.901 1.00 0.00 C ATOM 1323 O ASN B 542 30.538 -6.897 -0.823 1.00 0.00 O ATOM 1324 CB ASN B 542 33.419 -7.677 -1.228 1.00 0.00 C ATOM 1325 CG ASN B 542 33.794 -8.825 -2.146 1.00 0.00 C ATOM 1326 OD1 ASN B 542 33.037 -9.199 -3.041 1.00 0.00 O ATOM 1327 ND2 ASN B 542 34.970 -9.389 -1.934 1.00 0.00 N ATOM 0 H ASN B 542 33.358 -5.320 -0.435 1.00 0.00 H new ATOM 0 HA ASN B 542 32.949 -6.553 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN B 542 34.325 -7.252 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN B 542 32.819 -8.058 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN B 542 35.278 -10.163 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN B 542 35.570 -9.051 -1.182 1.00 0.00 H new ATOM 1334 N PRO B 543 30.527 -7.104 -3.074 1.00 0.00 N ATOM 1335 CA PRO B 543 29.093 -7.389 -3.179 1.00 0.00 C ATOM 1336 C PRO B 543 28.696 -8.739 -2.583 1.00 0.00 C ATOM 1337 O PRO B 543 27.525 -9.106 -2.602 1.00 0.00 O ATOM 1338 CB PRO B 543 28.827 -7.371 -4.686 1.00 0.00 C ATOM 1339 CG PRO B 543 30.142 -7.681 -5.309 1.00 0.00 C ATOM 1340 CD PRO B 543 31.181 -7.090 -4.396 1.00 0.00 C ATOM 0 HA PRO B 543 28.508 -6.661 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO B 543 28.074 -8.109 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO B 543 28.455 -6.399 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO B 543 30.281 -8.757 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO B 543 30.211 -7.252 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO B 543 32.098 -7.680 -4.396 1.00 0.00 H new ATOM 0 HD3 PRO B 543 31.453 -6.079 -4.699 1.00 0.00 H new ATOM 1348 N GLU B 544 29.664 -9.489 -2.070 1.00 0.00 N ATOM 1349 CA GLU B 544 29.361 -10.773 -1.451 1.00 0.00 C ATOM 1350 C GLU B 544 28.914 -10.550 -0.010 1.00 0.00 C ATOM 1351 O GLU B 544 28.240 -11.391 0.587 1.00 0.00 O ATOM 1352 CB GLU B 544 30.569 -11.715 -1.495 1.00 0.00 C ATOM 1353 CG GLU B 544 31.762 -11.234 -0.687 1.00 0.00 C ATOM 1354 CD GLU B 544 32.708 -12.360 -0.331 1.00 0.00 C ATOM 1355 OE1 GLU B 544 32.469 -13.042 0.685 1.00 0.00 O ATOM 1356 OE2 GLU B 544 33.692 -12.576 -1.068 1.00 0.00 O ATOM 0 H GLU B 544 30.652 -9.235 -2.070 1.00 0.00 H new ATOM 0 HA GLU B 544 28.556 -11.246 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU B 544 30.265 -12.695 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU B 544 30.876 -11.846 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU B 544 32.301 -10.476 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU B 544 31.410 -10.756 0.227 1.00 0.00 H new ATOM 1363 N VAL B 545 29.290 -9.397 0.534 1.00 0.00 N ATOM 1364 CA VAL B 545 28.935 -9.035 1.898 1.00 0.00 C ATOM 1365 C VAL B 545 27.776 -8.046 1.888 1.00 0.00 C ATOM 1366 O VAL B 545 26.771 -8.244 2.570 1.00 0.00 O ATOM 1367 CB VAL B 545 30.127 -8.405 2.656 1.00 0.00 C ATOM 1368 CG1 VAL B 545 29.845 -8.342 4.150 1.00 0.00 C ATOM 1369 CG2 VAL B 545 31.413 -9.173 2.386 1.00 0.00 C ATOM 0 H VAL B 545 29.844 -8.694 0.045 1.00 0.00 H new ATOM 0 HA VAL B 545 28.647 -9.951 2.413 1.00 0.00 H new ATOM 0 HB VAL B 545 30.257 -7.387 2.288 1.00 0.00 H new ATOM 0 HG11 VAL B 545 30.697 -7.895 4.663 1.00 0.00 H new ATOM 0 HG12 VAL B 545 28.956 -7.736 4.327 1.00 0.00 H new ATOM 0 HG13 VAL B 545 29.679 -9.349 4.532 1.00 0.00 H new ATOM 0 HG21 VAL B 545 32.235 -8.709 2.931 1.00 0.00 H new ATOM 0 HG22 VAL B 545 31.296 -10.205 2.715 1.00 0.00 H new ATOM 0 HG23 VAL B 545 31.630 -9.155 1.318 1.00 0.00 H new ATOM 1379 N ARG B 546 27.925 -6.986 1.088 1.00 0.00 N ATOM 1380 CA ARG B 546 26.903 -5.943 0.961 1.00 0.00 C ATOM 1381 C ARG B 546 26.584 -5.324 2.317 1.00 0.00 C ATOM 1382 O ARG B 546 25.416 -5.232 2.702 1.00 0.00 O ATOM 1383 CB ARG B 546 25.619 -6.505 0.342 1.00 0.00 C ATOM 1384 CG ARG B 546 25.814 -7.122 -1.029 1.00 0.00 C ATOM 1385 CD ARG B 546 24.824 -8.250 -1.272 1.00 0.00 C ATOM 1386 NE ARG B 546 24.919 -9.296 -0.250 1.00 0.00 N ATOM 1387 CZ ARG B 546 25.036 -10.599 -0.517 1.00 0.00 C ATOM 1388 NH1 ARG B 546 25.119 -11.026 -1.773 1.00 0.00 N ATOM 1389 NH2 ARG B 546 25.087 -11.476 0.477 1.00 0.00 N ATOM 0 H ARG B 546 28.753 -6.827 0.513 1.00 0.00 H new ATOM 0 HA ARG B 546 27.305 -5.171 0.304 1.00 0.00 H new ATOM 0 HB2 ARG B 546 25.204 -7.258 1.012 1.00 0.00 H new ATOM 0 HB3 ARG B 546 24.883 -5.704 0.267 1.00 0.00 H new ATOM 0 HG2 ARG B 546 25.692 -6.357 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG B 546 26.832 -7.503 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG B 546 23.811 -7.847 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG B 546 25.006 -8.686 -2.254 1.00 0.00 H new ATOM 0 HE ARG B 546 24.894 -9.010 0.729 1.00 0.00 H new ATOM 0 HH11 ARG B 546 25.094 -10.356 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG B 546 25.208 -12.023 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG B 546 25.037 -11.155 1.444 1.00 0.00 H new ATOM 0 HH22 ARG B 546 25.176 -12.472 0.275 1.00 0.00 H new ATOM 1403 N PHE B 547 27.632 -4.931 3.042 1.00 0.00 N ATOM 1404 CA PHE B 547 27.505 -4.313 4.367 1.00 0.00 C ATOM 1405 C PHE B 547 27.149 -5.341 5.444 1.00 0.00 C ATOM 1406 O PHE B 547 27.625 -5.242 6.574 1.00 0.00 O ATOM 1407 CB PHE B 547 26.479 -3.173 4.353 1.00 0.00 C ATOM 1408 CG PHE B 547 27.063 -1.851 3.947 1.00 0.00 C ATOM 1409 CD1 PHE B 547 28.051 -1.252 4.711 1.00 0.00 C ATOM 1410 CD2 PHE B 547 26.628 -1.212 2.799 1.00 0.00 C ATOM 1411 CE1 PHE B 547 28.595 -0.039 4.337 1.00 0.00 C ATOM 1412 CE2 PHE B 547 27.169 0.002 2.421 1.00 0.00 C ATOM 1413 CZ PHE B 547 28.153 0.589 3.191 1.00 0.00 C ATOM 0 H PHE B 547 28.597 -5.032 2.728 1.00 0.00 H new ATOM 0 HA PHE B 547 28.480 -3.895 4.616 1.00 0.00 H new ATOM 0 HB2 PHE B 547 25.670 -3.430 3.669 1.00 0.00 H new ATOM 0 HB3 PHE B 547 26.039 -3.078 5.346 1.00 0.00 H new ATOM 0 HD1 PHE B 547 28.400 -1.739 5.610 1.00 0.00 H new ATOM 0 HD2 PHE B 547 25.858 -1.667 2.193 1.00 0.00 H new ATOM 0 HE1 PHE B 547 29.365 0.417 4.941 1.00 0.00 H new ATOM 0 HE2 PHE B 547 26.822 0.492 1.523 1.00 0.00 H new ATOM 0 HZ PHE B 547 28.576 1.538 2.897 1.00 0.00 H new ATOM 1423 N GLN B 548 26.296 -6.306 5.087 1.00 0.00 N ATOM 1424 CA GLN B 548 25.857 -7.381 5.986 1.00 0.00 C ATOM 1425 C GLN B 548 24.868 -6.889 7.047 1.00 0.00 C ATOM 1426 O GLN B 548 23.878 -7.561 7.331 1.00 0.00 O ATOM 1427 CB GLN B 548 27.052 -8.071 6.662 1.00 0.00 C ATOM 1428 CG GLN B 548 26.673 -9.318 7.447 1.00 0.00 C ATOM 1429 CD GLN B 548 27.819 -9.854 8.284 1.00 0.00 C ATOM 1430 OE1 GLN B 548 28.608 -10.681 7.828 1.00 0.00 O ATOM 1431 NE2 GLN B 548 27.916 -9.391 9.519 1.00 0.00 N ATOM 0 H GLN B 548 25.885 -6.364 4.155 1.00 0.00 H new ATOM 0 HA GLN B 548 25.339 -8.108 5.360 1.00 0.00 H new ATOM 0 HB2 GLN B 548 27.784 -8.340 5.900 1.00 0.00 H new ATOM 0 HB3 GLN B 548 27.537 -7.363 7.334 1.00 0.00 H new ATOM 0 HG2 GLN B 548 25.829 -9.090 8.098 1.00 0.00 H new ATOM 0 HG3 GLN B 548 26.342 -10.092 6.754 1.00 0.00 H new ATOM 0 HE21 GLN B 548 27.242 -8.706 9.861 1.00 0.00 H new ATOM 0 HE22 GLN B 548 28.664 -9.719 10.129 1.00 0.00 H new ATOM 1440 N GLN B 549 25.105 -5.712 7.607 1.00 0.00 N ATOM 1441 CA GLN B 549 24.225 -5.188 8.641 1.00 0.00 C ATOM 1442 C GLN B 549 23.197 -4.236 8.047 1.00 0.00 C ATOM 1443 O GLN B 549 22.008 -4.353 8.328 1.00 0.00 O ATOM 1444 CB GLN B 549 25.024 -4.501 9.749 1.00 0.00 C ATOM 1445 CG GLN B 549 26.010 -5.426 10.447 1.00 0.00 C ATOM 1446 CD GLN B 549 25.366 -6.709 10.951 1.00 0.00 C ATOM 1447 OE1 GLN B 549 25.996 -7.766 10.970 1.00 0.00 O ATOM 1448 NE2 GLN B 549 24.112 -6.626 11.371 1.00 0.00 N ATOM 0 H GLN B 549 25.890 -5.107 7.366 1.00 0.00 H new ATOM 0 HA GLN B 549 23.693 -6.030 9.084 1.00 0.00 H new ATOM 0 HB2 GLN B 549 25.567 -3.657 9.325 1.00 0.00 H new ATOM 0 HB3 GLN B 549 24.332 -4.096 10.488 1.00 0.00 H new ATOM 0 HG2 GLN B 549 26.815 -5.677 9.757 1.00 0.00 H new ATOM 0 HG3 GLN B 549 26.463 -4.899 11.287 1.00 0.00 H new ATOM 0 HE21 GLN B 549 23.622 -5.732 11.340 1.00 0.00 H new ATOM 0 HE22 GLN B 549 23.637 -7.456 11.725 1.00 0.00 H new ATOM 1457 N GLN B 550 23.646 -3.314 7.202 1.00 0.00 N ATOM 1458 CA GLN B 550 22.731 -2.367 6.568 1.00 0.00 C ATOM 1459 C GLN B 550 21.794 -3.121 5.634 1.00 0.00 C ATOM 1460 O GLN B 550 20.630 -2.757 5.463 1.00 0.00 O ATOM 1461 CB GLN B 550 23.503 -1.298 5.793 1.00 0.00 C ATOM 1462 CG GLN B 550 24.280 -0.344 6.684 1.00 0.00 C ATOM 1463 CD GLN B 550 23.381 0.467 7.596 1.00 0.00 C ATOM 1464 OE1 GLN B 550 23.036 0.038 8.694 1.00 0.00 O ATOM 1465 NE2 GLN B 550 22.999 1.653 7.147 1.00 0.00 N ATOM 0 H GLN B 550 24.626 -3.201 6.941 1.00 0.00 H new ATOM 0 HA GLN B 550 22.150 -1.866 7.342 1.00 0.00 H new ATOM 0 HB2 GLN B 550 24.195 -1.787 5.107 1.00 0.00 H new ATOM 0 HB3 GLN B 550 22.803 -0.725 5.185 1.00 0.00 H new ATOM 0 HG2 GLN B 550 24.987 -0.912 7.289 1.00 0.00 H new ATOM 0 HG3 GLN B 550 24.865 0.333 6.062 1.00 0.00 H new ATOM 0 HE21 GLN B 550 23.307 1.974 6.229 1.00 0.00 H new ATOM 0 HE22 GLN B 550 22.397 2.245 7.719 1.00 0.00 H new ATOM 1474 N LEU B 551 22.318 -4.194 5.057 1.00 0.00 N ATOM 1475 CA LEU B 551 21.557 -5.034 4.144 1.00 0.00 C ATOM 1476 C LEU B 551 20.423 -5.747 4.878 1.00 0.00 C ATOM 1477 O LEU B 551 19.452 -6.176 4.259 1.00 0.00 O ATOM 1478 CB LEU B 551 22.471 -6.066 3.482 1.00 0.00 C ATOM 1479 CG LEU B 551 21.837 -6.853 2.333 1.00 0.00 C ATOM 1480 CD1 LEU B 551 21.805 -6.015 1.062 1.00 0.00 C ATOM 1481 CD2 LEU B 551 22.589 -8.155 2.103 1.00 0.00 C ATOM 0 H LEU B 551 23.278 -4.505 5.208 1.00 0.00 H new ATOM 0 HA LEU B 551 21.127 -4.392 3.376 1.00 0.00 H new ATOM 0 HB2 LEU B 551 23.357 -5.555 3.106 1.00 0.00 H new ATOM 0 HB3 LEU B 551 22.808 -6.771 4.242 1.00 0.00 H new ATOM 0 HG LEU B 551 20.809 -7.095 2.605 1.00 0.00 H new ATOM 0 HD11 LEU B 551 21.351 -6.592 0.257 1.00 0.00 H new ATOM 0 HD12 LEU B 551 21.220 -5.112 1.236 1.00 0.00 H new ATOM 0 HD13 LEU B 551 22.822 -5.740 0.782 1.00 0.00 H new ATOM 0 HD21 LEU B 551 22.125 -8.703 1.283 1.00 0.00 H new ATOM 0 HD22 LEU B 551 23.627 -7.936 1.853 1.00 0.00 H new ATOM 0 HD23 LEU B 551 22.554 -8.760 3.009 1.00 0.00 H new ATOM 1493 N GLU B 552 20.526 -5.831 6.198 1.00 0.00 N ATOM 1494 CA GLU B 552 19.507 -6.500 6.994 1.00 0.00 C ATOM 1495 C GLU B 552 18.325 -5.563 7.223 1.00 0.00 C ATOM 1496 O GLU B 552 17.243 -5.989 7.621 1.00 0.00 O ATOM 1497 CB GLU B 552 20.092 -6.970 8.328 1.00 0.00 C ATOM 1498 CG GLU B 552 19.319 -8.115 8.963 1.00 0.00 C ATOM 1499 CD GLU B 552 19.054 -9.248 7.992 1.00 0.00 C ATOM 1500 OE1 GLU B 552 20.012 -9.955 7.615 1.00 0.00 O ATOM 1501 OE2 GLU B 552 17.885 -9.445 7.602 1.00 0.00 O ATOM 0 H GLU B 552 21.301 -5.446 6.738 1.00 0.00 H new ATOM 0 HA GLU B 552 19.155 -7.377 6.451 1.00 0.00 H new ATOM 0 HB2 GLU B 552 21.125 -7.282 8.172 1.00 0.00 H new ATOM 0 HB3 GLU B 552 20.114 -6.129 9.021 1.00 0.00 H new ATOM 0 HG2 GLU B 552 19.878 -8.497 9.817 1.00 0.00 H new ATOM 0 HG3 GLU B 552 18.370 -7.740 9.346 1.00 0.00 H new ATOM 1508 N GLN B 553 18.545 -4.281 6.960 1.00 0.00 N ATOM 1509 CA GLN B 553 17.502 -3.279 7.107 1.00 0.00 C ATOM 1510 C GLN B 553 16.934 -2.937 5.738 1.00 0.00 C ATOM 1511 O GLN B 553 15.737 -2.702 5.587 1.00 0.00 O ATOM 1512 CB GLN B 553 18.039 -2.012 7.776 1.00 0.00 C ATOM 1513 CG GLN B 553 18.156 -2.106 9.290 1.00 0.00 C ATOM 1514 CD GLN B 553 19.442 -2.771 9.739 1.00 0.00 C ATOM 1515 OE1 GLN B 553 19.480 -3.976 9.988 1.00 0.00 O ATOM 1516 NE2 GLN B 553 20.506 -1.991 9.842 1.00 0.00 N ATOM 0 H GLN B 553 19.441 -3.911 6.643 1.00 0.00 H new ATOM 0 HA GLN B 553 16.718 -3.689 7.743 1.00 0.00 H new ATOM 0 HB2 GLN B 553 19.021 -1.784 7.361 1.00 0.00 H new ATOM 0 HB3 GLN B 553 17.385 -1.177 7.525 1.00 0.00 H new ATOM 0 HG2 GLN B 553 18.102 -1.105 9.717 1.00 0.00 H new ATOM 0 HG3 GLN B 553 17.307 -2.666 9.682 1.00 0.00 H new ATOM 0 HE21 GLN B 553 20.432 -0.997 9.626 1.00 0.00 H new ATOM 0 HE22 GLN B 553 21.400 -2.384 10.137 1.00 0.00 H new ATOM 1525 N LEU B 554 17.808 -2.937 4.735 1.00 0.00 N ATOM 1526 CA LEU B 554 17.408 -2.635 3.367 1.00 0.00 C ATOM 1527 C LEU B 554 16.511 -3.742 2.828 1.00 0.00 C ATOM 1528 O LEU B 554 15.486 -3.479 2.206 1.00 0.00 O ATOM 1529 CB LEU B 554 18.642 -2.474 2.471 1.00 0.00 C ATOM 1530 CG LEU B 554 19.533 -1.271 2.795 1.00 0.00 C ATOM 1531 CD1 LEU B 554 20.898 -1.426 2.141 1.00 0.00 C ATOM 1532 CD2 LEU B 554 18.871 0.020 2.338 1.00 0.00 C ATOM 0 H LEU B 554 18.801 -3.144 4.846 1.00 0.00 H new ATOM 0 HA LEU B 554 16.853 -1.697 3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 554 19.243 -3.380 2.542 1.00 0.00 H new ATOM 0 HB3 LEU B 554 18.311 -2.392 1.436 1.00 0.00 H new ATOM 0 HG LEU B 554 19.670 -1.227 3.875 1.00 0.00 H new ATOM 0 HD11 LEU B 554 21.517 -0.562 2.382 1.00 0.00 H new ATOM 0 HD12 LEU B 554 21.378 -2.332 2.512 1.00 0.00 H new ATOM 0 HD13 LEU B 554 20.778 -1.496 1.060 1.00 0.00 H new ATOM 0 HD21 LEU B 554 19.518 0.865 2.576 1.00 0.00 H new ATOM 0 HD22 LEU B 554 18.705 -0.018 1.261 1.00 0.00 H new ATOM 0 HD23 LEU B 554 17.915 0.139 2.849 1.00 0.00 H new ATOM 1544 N SER B 555 16.893 -4.985 3.095 1.00 0.00 N ATOM 1545 CA SER B 555 16.115 -6.129 2.643 1.00 0.00 C ATOM 1546 C SER B 555 14.885 -6.321 3.523 1.00 0.00 C ATOM 1547 O SER B 555 13.927 -6.988 3.131 1.00 0.00 O ATOM 1548 CB SER B 555 16.976 -7.391 2.658 1.00 0.00 C ATOM 1549 OG SER B 555 18.250 -7.141 2.084 1.00 0.00 O ATOM 0 H SER B 555 17.734 -5.225 3.620 1.00 0.00 H new ATOM 0 HA SER B 555 15.784 -5.940 1.622 1.00 0.00 H new ATOM 0 HB2 SER B 555 17.097 -7.742 3.683 1.00 0.00 H new ATOM 0 HB3 SER B 555 16.474 -8.186 2.106 1.00 0.00 H new ATOM 0 HG SER B 555 18.779 -6.583 2.692 1.00 0.00 H new ATOM 1555 N ALA B 556 14.899 -5.698 4.697 1.00 0.00 N ATOM 1556 CA ALA B 556 13.789 -5.802 5.631 1.00 0.00 C ATOM 1557 C ALA B 556 12.662 -4.887 5.199 1.00 0.00 C ATOM 1558 O ALA B 556 11.498 -5.105 5.528 1.00 0.00 O ATOM 1559 CB ALA B 556 14.240 -5.452 7.036 1.00 0.00 C ATOM 0 H ALA B 556 15.670 -5.115 5.023 1.00 0.00 H new ATOM 0 HA ALA B 556 13.430 -6.831 5.632 1.00 0.00 H new ATOM 0 HB1 ALA B 556 13.396 -5.536 7.721 1.00 0.00 H new ATOM 0 HB2 ALA B 556 15.028 -6.138 7.347 1.00 0.00 H new ATOM 0 HB3 ALA B 556 14.621 -4.431 7.052 1.00 0.00 H new ATOM 1565 N MET B 557 13.025 -3.857 4.447 1.00 0.00 N ATOM 1566 CA MET B 557 12.055 -2.901 3.942 1.00 0.00 C ATOM 1567 C MET B 557 11.452 -3.413 2.641 1.00 0.00 C ATOM 1568 O MET B 557 10.768 -2.684 1.927 1.00 0.00 O ATOM 1569 CB MET B 557 12.698 -1.529 3.733 1.00 0.00 C ATOM 1570 CG MET B 557 12.856 -0.727 5.019 1.00 0.00 C ATOM 1571 SD MET B 557 11.318 -0.606 5.956 1.00 0.00 S ATOM 1572 CE MET B 557 11.756 0.625 7.184 1.00 0.00 C ATOM 0 H MET B 557 13.988 -3.664 4.174 1.00 0.00 H new ATOM 0 HA MET B 557 11.261 -2.789 4.680 1.00 0.00 H new ATOM 0 HB2 MET B 557 13.678 -1.662 3.275 1.00 0.00 H new ATOM 0 HB3 MET B 557 12.093 -0.957 3.030 1.00 0.00 H new ATOM 0 HG2 MET B 557 13.620 -1.192 5.641 1.00 0.00 H new ATOM 0 HG3 MET B 557 13.209 0.275 4.777 1.00 0.00 H new ATOM 0 HE1 MET B 557 10.903 0.806 7.838 1.00 0.00 H new ATOM 0 HE2 MET B 557 12.597 0.265 7.776 1.00 0.00 H new ATOM 0 HE3 MET B 557 12.034 1.553 6.685 1.00 0.00 H new ATOM 1582 N GLY B 558 11.708 -4.683 2.352 1.00 0.00 N ATOM 1583 CA GLY B 558 11.183 -5.300 1.155 1.00 0.00 C ATOM 1584 C GLY B 558 11.949 -4.913 -0.087 1.00 0.00 C ATOM 1585 O GLY B 558 11.500 -4.064 -0.851 1.00 0.00 O ATOM 0 H GLY B 558 12.276 -5.299 2.933 1.00 0.00 H new ATOM 0 HA2 GLY B 558 11.209 -6.384 1.269 1.00 0.00 H new ATOM 0 HA3 GLY B 558 10.137 -5.017 1.034 1.00 0.00 H new ATOM 1589 N PHE B 559 13.108 -5.527 -0.283 1.00 0.00 N ATOM 1590 CA PHE B 559 13.936 -5.260 -1.454 1.00 0.00 C ATOM 1591 C PHE B 559 14.683 -6.525 -1.858 1.00 0.00 C ATOM 1592 O PHE B 559 15.181 -7.262 -1.004 1.00 0.00 O ATOM 1593 CB PHE B 559 14.914 -4.111 -1.190 1.00 0.00 C ATOM 1594 CG PHE B 559 14.289 -2.756 -1.376 1.00 0.00 C ATOM 1595 CD1 PHE B 559 13.959 -2.303 -2.643 1.00 0.00 C ATOM 1596 CD2 PHE B 559 14.016 -1.945 -0.286 1.00 0.00 C ATOM 1597 CE1 PHE B 559 13.370 -1.067 -2.821 1.00 0.00 C ATOM 1598 CE2 PHE B 559 13.425 -0.708 -0.459 1.00 0.00 C ATOM 1599 CZ PHE B 559 13.103 -0.269 -1.728 1.00 0.00 C ATOM 0 H PHE B 559 13.499 -6.218 0.358 1.00 0.00 H new ATOM 0 HA PHE B 559 13.287 -4.956 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE B 559 15.296 -4.193 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE B 559 15.768 -4.207 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE B 559 14.165 -2.924 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE B 559 14.268 -2.283 0.708 1.00 0.00 H new ATOM 0 HE1 PHE B 559 13.119 -0.726 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE B 559 13.215 -0.085 0.398 1.00 0.00 H new ATOM 0 HZ PHE B 559 12.643 0.698 -1.865 1.00 0.00 H new ATOM 1609 N LEU B 560 14.754 -6.771 -3.159 1.00 0.00 N ATOM 1610 CA LEU B 560 15.408 -7.964 -3.683 1.00 0.00 C ATOM 1611 C LEU B 560 16.751 -7.650 -4.332 1.00 0.00 C ATOM 1612 O LEU B 560 17.559 -8.550 -4.558 1.00 0.00 O ATOM 1613 CB LEU B 560 14.498 -8.650 -4.704 1.00 0.00 C ATOM 1614 CG LEU B 560 13.280 -9.364 -4.116 1.00 0.00 C ATOM 1615 CD1 LEU B 560 12.218 -9.580 -5.184 1.00 0.00 C ATOM 1616 CD2 LEU B 560 13.692 -10.692 -3.503 1.00 0.00 C ATOM 0 H LEU B 560 14.365 -6.157 -3.875 1.00 0.00 H new ATOM 0 HA LEU B 560 15.595 -8.627 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU B 560 14.151 -7.902 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU B 560 15.089 -9.375 -5.264 1.00 0.00 H new ATOM 0 HG LEU B 560 12.856 -8.735 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU B 560 11.360 -10.089 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU B 560 11.903 -8.616 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU B 560 12.630 -10.189 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU B 560 12.815 -11.189 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 560 14.138 -11.324 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU B 560 14.419 -10.517 -2.710 1.00 0.00 H new ATOM 1628 N ASN B 561 17.001 -6.380 -4.628 1.00 0.00 N ATOM 1629 CA ASN B 561 18.251 -5.992 -5.268 1.00 0.00 C ATOM 1630 C ASN B 561 19.408 -6.095 -4.282 1.00 0.00 C ATOM 1631 O ASN B 561 19.214 -5.974 -3.069 1.00 0.00 O ATOM 1632 CB ASN B 561 18.163 -4.572 -5.827 1.00 0.00 C ATOM 1633 CG ASN B 561 19.068 -4.374 -7.028 1.00 0.00 C ATOM 1634 OD1 ASN B 561 20.290 -4.507 -6.933 1.00 0.00 O ATOM 1635 ND2 ASN B 561 18.478 -4.049 -8.166 1.00 0.00 N ATOM 0 H ASN B 561 16.362 -5.609 -4.437 1.00 0.00 H new ATOM 0 HA ASN B 561 18.431 -6.676 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN B 561 17.133 -4.358 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN B 561 18.434 -3.859 -5.048 1.00 0.00 H new ATOM 0 HD21 ASN B 561 19.037 -3.899 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN B 561 17.464 -3.948 -8.204 1.00 0.00 H new ATOM 1642 N ARG B 562 20.603 -6.338 -4.799 1.00 0.00 N ATOM 1643 CA ARG B 562 21.785 -6.477 -3.961 1.00 0.00 C ATOM 1644 C ARG B 562 22.783 -5.355 -4.229 1.00 0.00 C ATOM 1645 O ARG B 562 23.122 -4.584 -3.331 1.00 0.00 O ATOM 1646 CB ARG B 562 22.462 -7.828 -4.215 1.00 0.00 C ATOM 1647 CG ARG B 562 21.518 -9.022 -4.172 1.00 0.00 C ATOM 1648 CD ARG B 562 21.129 -9.386 -2.749 1.00 0.00 C ATOM 1649 NE ARG B 562 20.161 -8.448 -2.184 1.00 0.00 N ATOM 1650 CZ ARG B 562 19.688 -8.517 -0.944 1.00 0.00 C ATOM 1651 NH1 ARG B 562 20.068 -9.502 -0.139 1.00 0.00 N ATOM 1652 NH2 ARG B 562 18.829 -7.603 -0.515 1.00 0.00 N ATOM 0 H ARG B 562 20.780 -6.443 -5.798 1.00 0.00 H new ATOM 0 HA ARG B 562 21.463 -6.420 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG B 562 22.948 -7.799 -5.190 1.00 0.00 H new ATOM 0 HB3 ARG B 562 23.246 -7.973 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG B 562 20.620 -8.796 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG B 562 21.994 -9.879 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG B 562 20.709 -10.392 -2.735 1.00 0.00 H new ATOM 0 HD3 ARG B 562 22.022 -9.405 -2.124 1.00 0.00 H new ATOM 0 HE ARG B 562 19.827 -7.691 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG B 562 20.725 -10.208 -0.472 1.00 0.00 H new ATOM 0 HH12 ARG B 562 19.703 -9.553 0.812 1.00 0.00 H new ATOM 0 HH21 ARG B 562 18.533 -6.850 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG B 562 18.464 -7.653 0.436 1.00 0.00 H new ATOM 1666 N GLU B 563 23.227 -5.265 -5.473 1.00 0.00 N ATOM 1667 CA GLU B 563 24.211 -4.266 -5.879 1.00 0.00 C ATOM 1668 C GLU B 563 23.656 -2.845 -5.753 1.00 0.00 C ATOM 1669 O GLU B 563 24.311 -1.967 -5.189 1.00 0.00 O ATOM 1670 CB GLU B 563 24.669 -4.529 -7.316 1.00 0.00 C ATOM 1671 CG GLU B 563 25.727 -5.623 -7.443 1.00 0.00 C ATOM 1672 CD GLU B 563 25.193 -7.016 -7.158 1.00 0.00 C ATOM 1673 OE1 GLU B 563 24.407 -7.542 -7.977 1.00 0.00 O ATOM 1674 OE2 GLU B 563 25.568 -7.603 -6.124 1.00 0.00 O ATOM 0 H GLU B 563 22.919 -5.878 -6.228 1.00 0.00 H new ATOM 0 HA GLU B 563 25.066 -4.350 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU B 563 23.803 -4.805 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU B 563 25.066 -3.604 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU B 563 26.143 -5.601 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU B 563 26.545 -5.408 -6.756 1.00 0.00 H new ATOM 1681 N ALA B 564 22.462 -2.625 -6.293 1.00 0.00 N ATOM 1682 CA ALA B 564 21.822 -1.311 -6.236 1.00 0.00 C ATOM 1683 C ALA B 564 21.669 -0.830 -4.797 1.00 0.00 C ATOM 1684 O ALA B 564 21.941 0.332 -4.493 1.00 0.00 O ATOM 1685 CB ALA B 564 20.469 -1.337 -6.929 1.00 0.00 C ATOM 0 H ALA B 564 21.916 -3.338 -6.776 1.00 0.00 H new ATOM 0 HA ALA B 564 22.469 -0.609 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA B 564 20.013 -0.349 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA B 564 20.601 -1.618 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA B 564 19.822 -2.063 -6.437 1.00 0.00 H new ATOM 1691 N ASN B 565 21.253 -1.729 -3.911 1.00 0.00 N ATOM 1692 CA ASN B 565 21.069 -1.391 -2.501 1.00 0.00 C ATOM 1693 C ASN B 565 22.397 -1.006 -1.864 1.00 0.00 C ATOM 1694 O ASN B 565 22.465 -0.097 -1.035 1.00 0.00 O ATOM 1695 CB ASN B 565 20.448 -2.563 -1.733 1.00 0.00 C ATOM 1696 CG ASN B 565 18.982 -2.769 -2.061 1.00 0.00 C ATOM 1697 OD1 ASN B 565 18.561 -2.623 -3.205 1.00 0.00 O ATOM 1698 ND2 ASN B 565 18.193 -3.110 -1.055 1.00 0.00 N ATOM 0 H ASN B 565 21.036 -2.698 -4.143 1.00 0.00 H new ATOM 0 HA ASN B 565 20.390 -0.540 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN B 565 20.999 -3.475 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN B 565 20.555 -2.388 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN B 565 17.197 -3.261 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN B 565 18.581 -3.222 -0.118 1.00 0.00 H new ATOM 1705 N LEU B 566 23.452 -1.701 -2.271 1.00 0.00 N ATOM 1706 CA LEU B 566 24.792 -1.447 -1.761 1.00 0.00 C ATOM 1707 C LEU B 566 25.249 -0.038 -2.140 1.00 0.00 C ATOM 1708 O LEU B 566 25.848 0.671 -1.333 1.00 0.00 O ATOM 1709 CB LEU B 566 25.762 -2.496 -2.320 1.00 0.00 C ATOM 1710 CG LEU B 566 27.223 -2.364 -1.879 1.00 0.00 C ATOM 1711 CD1 LEU B 566 27.338 -2.419 -0.365 1.00 0.00 C ATOM 1712 CD2 LEU B 566 28.065 -3.462 -2.514 1.00 0.00 C ATOM 0 H LEU B 566 23.403 -2.452 -2.960 1.00 0.00 H new ATOM 0 HA LEU B 566 24.780 -1.519 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.404 -3.484 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU B 566 25.727 -2.451 -3.408 1.00 0.00 H new ATOM 0 HG LEU B 566 27.596 -1.396 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU B 566 28.385 -2.323 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU B 566 26.764 -1.602 0.073 1.00 0.00 H new ATOM 0 HD13 LEU B 566 26.948 -3.371 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU B 566 29.101 -3.357 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU B 566 27.686 -4.436 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU B 566 28.011 -3.380 -3.600 1.00 0.00 H new ATOM 1724 N GLN B 567 24.924 0.372 -3.359 1.00 0.00 N ATOM 1725 CA GLN B 567 25.305 1.691 -3.851 1.00 0.00 C ATOM 1726 C GLN B 567 24.407 2.774 -3.259 1.00 0.00 C ATOM 1727 O GLN B 567 24.867 3.872 -2.947 1.00 0.00 O ATOM 1728 CB GLN B 567 25.234 1.722 -5.378 1.00 0.00 C ATOM 1729 CG GLN B 567 25.745 3.015 -5.987 1.00 0.00 C ATOM 1730 CD GLN B 567 25.921 2.917 -7.487 1.00 0.00 C ATOM 1731 OE1 GLN B 567 25.003 3.206 -8.254 1.00 0.00 O ATOM 1732 NE2 GLN B 567 27.106 2.508 -7.916 1.00 0.00 N ATOM 0 H GLN B 567 24.397 -0.190 -4.027 1.00 0.00 H new ATOM 0 HA GLN B 567 26.330 1.891 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN B 567 25.813 0.889 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN B 567 24.200 1.568 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN B 567 25.048 3.821 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN B 567 26.698 3.277 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN B 567 27.840 2.278 -7.246 1.00 0.00 H new ATOM 0 HE22 GLN B 567 27.285 2.423 -8.917 1.00 0.00 H new ATOM 1741 N ALA B 568 23.127 2.452 -3.113 1.00 0.00 N ATOM 1742 CA ALA B 568 22.150 3.385 -2.553 1.00 0.00 C ATOM 1743 C ALA B 568 22.565 3.838 -1.155 1.00 0.00 C ATOM 1744 O ALA B 568 22.413 5.006 -0.795 1.00 0.00 O ATOM 1745 CB ALA B 568 20.768 2.751 -2.521 1.00 0.00 C ATOM 0 H ALA B 568 22.737 1.547 -3.376 1.00 0.00 H new ATOM 0 HA ALA B 568 22.114 4.265 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA B 568 20.053 3.458 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA B 568 20.465 2.487 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA B 568 20.794 1.853 -1.904 1.00 0.00 H new ATOM 1751 N LEU B 569 23.105 2.905 -0.382 1.00 0.00 N ATOM 1752 CA LEU B 569 23.551 3.194 0.976 1.00 0.00 C ATOM 1753 C LEU B 569 24.791 4.090 0.944 1.00 0.00 C ATOM 1754 O LEU B 569 24.980 4.944 1.812 1.00 0.00 O ATOM 1755 CB LEU B 569 23.846 1.886 1.724 1.00 0.00 C ATOM 1756 CG LEU B 569 23.673 1.927 3.252 1.00 0.00 C ATOM 1757 CD1 LEU B 569 24.934 2.444 3.928 1.00 0.00 C ATOM 1758 CD2 LEU B 569 22.473 2.780 3.642 1.00 0.00 C ATOM 0 H LEU B 569 23.245 1.938 -0.673 1.00 0.00 H new ATOM 0 HA LEU B 569 22.758 3.723 1.505 1.00 0.00 H new ATOM 0 HB2 LEU B 569 23.194 1.108 1.326 1.00 0.00 H new ATOM 0 HB3 LEU B 569 24.871 1.588 1.503 1.00 0.00 H new ATOM 0 HG LEU B 569 23.494 0.908 3.594 1.00 0.00 H new ATOM 0 HD11 LEU B 569 24.786 2.463 5.008 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.771 1.788 3.688 1.00 0.00 H new ATOM 0 HD13 LEU B 569 25.150 3.452 3.573 1.00 0.00 H new ATOM 0 HD21 LEU B 569 22.373 2.793 4.727 1.00 0.00 H new ATOM 0 HD22 LEU B 569 22.617 3.798 3.279 1.00 0.00 H new ATOM 0 HD23 LEU B 569 21.569 2.361 3.199 1.00 0.00 H new ATOM 1770 N ILE B 570 25.614 3.907 -0.083 1.00 0.00 N ATOM 1771 CA ILE B 570 26.834 4.692 -0.243 1.00 0.00 C ATOM 1772 C ILE B 570 26.499 6.115 -0.682 1.00 0.00 C ATOM 1773 O ILE B 570 27.034 7.085 -0.141 1.00 0.00 O ATOM 1774 CB ILE B 570 27.786 4.048 -1.280 1.00 0.00 C ATOM 1775 CG1 ILE B 570 28.299 2.695 -0.773 1.00 0.00 C ATOM 1776 CG2 ILE B 570 28.953 4.977 -1.600 1.00 0.00 C ATOM 1777 CD1 ILE B 570 29.050 2.777 0.541 1.00 0.00 C ATOM 0 H ILE B 570 25.458 3.219 -0.820 1.00 0.00 H new ATOM 0 HA ILE B 570 27.336 4.717 0.724 1.00 0.00 H new ATOM 0 HB ILE B 570 27.223 3.882 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE B 570 27.453 2.018 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE B 570 28.954 2.259 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE B 570 29.607 4.501 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE B 570 28.572 5.913 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE B 570 29.515 5.182 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE B 570 29.381 1.781 0.834 1.00 0.00 H new ATOM 0 HD12 ILE B 570 29.917 3.428 0.425 1.00 0.00 H new ATOM 0 HD13 ILE B 570 28.393 3.182 1.311 1.00 0.00 H new ATOM 1789 N ALA B 571 25.599 6.220 -1.655 1.00 0.00 N ATOM 1790 CA ALA B 571 25.173 7.508 -2.194 1.00 0.00 C ATOM 1791 C ALA B 571 24.643 8.439 -1.108 1.00 0.00 C ATOM 1792 O ALA B 571 24.942 9.636 -1.104 1.00 0.00 O ATOM 1793 CB ALA B 571 24.111 7.300 -3.264 1.00 0.00 C ATOM 0 H ALA B 571 25.145 5.417 -2.091 1.00 0.00 H new ATOM 0 HA ALA B 571 26.050 7.984 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA B 571 23.799 8.266 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA B 571 24.521 6.692 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA B 571 23.251 6.792 -2.829 1.00 0.00 H new ATOM 1799 N THR B 572 23.857 7.894 -0.190 1.00 0.00 N ATOM 1800 CA THR B 572 23.290 8.693 0.880 1.00 0.00 C ATOM 1801 C THR B 572 24.292 8.890 2.012 1.00 0.00 C ATOM 1802 O THR B 572 24.277 9.913 2.696 1.00 0.00 O ATOM 1803 CB THR B 572 22.006 8.051 1.430 1.00 0.00 C ATOM 1804 OG1 THR B 572 22.283 6.737 1.932 1.00 0.00 O ATOM 1805 CG2 THR B 572 20.948 7.968 0.341 1.00 0.00 C ATOM 0 H THR B 572 23.600 6.907 -0.167 1.00 0.00 H new ATOM 0 HA THR B 572 23.043 9.667 0.459 1.00 0.00 H new ATOM 0 HB THR B 572 21.632 8.673 2.243 1.00 0.00 H new ATOM 0 HG1 THR B 572 21.514 6.415 2.448 1.00 0.00 H new ATOM 0 HG21 THR B 572 20.045 7.511 0.745 1.00 0.00 H new ATOM 0 HG22 THR B 572 20.718 8.970 -0.020 1.00 0.00 H new ATOM 0 HG23 THR B 572 21.322 7.363 -0.485 1.00 0.00 H new ATOM 1813 N GLY B 573 25.170 7.916 2.197 1.00 0.00 N ATOM 1814 CA GLY B 573 26.166 8.008 3.244 1.00 0.00 C ATOM 1815 C GLY B 573 25.758 7.257 4.493 1.00 0.00 C ATOM 1816 O GLY B 573 26.389 7.391 5.542 1.00 0.00 O ATOM 0 H GLY B 573 25.211 7.062 1.640 1.00 0.00 H new ATOM 0 HA2 GLY B 573 27.113 7.611 2.877 1.00 0.00 H new ATOM 0 HA3 GLY B 573 26.334 9.056 3.492 1.00 0.00 H new ATOM 1820 N GLY B 574 24.704 6.462 4.384 1.00 0.00 N ATOM 1821 CA GLY B 574 24.237 5.701 5.523 1.00 0.00 C ATOM 1822 C GLY B 574 22.759 5.889 5.785 1.00 0.00 C ATOM 1823 O GLY B 574 22.151 5.102 6.512 1.00 0.00 O ATOM 0 H GLY B 574 24.165 6.331 3.528 1.00 0.00 H new ATOM 0 HA2 GLY B 574 24.440 4.643 5.356 1.00 0.00 H new ATOM 0 HA3 GLY B 574 24.799 5.998 6.408 1.00 0.00 H new ATOM 1827 N ASP B 575 22.180 6.927 5.196 1.00 0.00 N ATOM 1828 CA ASP B 575 20.759 7.209 5.372 1.00 0.00 C ATOM 1829 C ASP B 575 19.916 6.197 4.608 1.00 0.00 C ATOM 1830 O ASP B 575 19.773 6.285 3.384 1.00 0.00 O ATOM 1831 CB ASP B 575 20.423 8.625 4.906 1.00 0.00 C ATOM 1832 CG ASP B 575 19.102 9.117 5.465 1.00 0.00 C ATOM 1833 OD1 ASP B 575 18.043 8.574 5.088 1.00 0.00 O ATOM 1834 OD2 ASP B 575 19.116 10.062 6.283 1.00 0.00 O ATOM 0 H ASP B 575 22.670 7.587 4.593 1.00 0.00 H new ATOM 0 HA ASP B 575 20.530 7.130 6.435 1.00 0.00 H new ATOM 0 HB2 ASP B 575 21.219 9.304 5.211 1.00 0.00 H new ATOM 0 HB3 ASP B 575 20.385 8.647 3.817 1.00 0.00 H new ATOM 1839 N ILE B 576 19.396 5.219 5.334 1.00 0.00 N ATOM 1840 CA ILE B 576 18.572 4.171 4.749 1.00 0.00 C ATOM 1841 C ILE B 576 17.309 4.730 4.097 1.00 0.00 C ATOM 1842 O ILE B 576 16.998 4.381 2.957 1.00 0.00 O ATOM 1843 CB ILE B 576 18.191 3.109 5.805 1.00 0.00 C ATOM 1844 CG1 ILE B 576 19.460 2.473 6.383 1.00 0.00 C ATOM 1845 CG2 ILE B 576 17.286 2.043 5.197 1.00 0.00 C ATOM 1846 CD1 ILE B 576 19.192 1.395 7.411 1.00 0.00 C ATOM 0 H ILE B 576 19.532 5.129 6.341 1.00 0.00 H new ATOM 0 HA ILE B 576 19.172 3.700 3.971 1.00 0.00 H new ATOM 0 HB ILE B 576 17.642 3.597 6.610 1.00 0.00 H new ATOM 0 HG12 ILE B 576 20.045 2.047 5.568 1.00 0.00 H new ATOM 0 HG13 ILE B 576 20.070 3.253 6.839 1.00 0.00 H new ATOM 0 HG21 ILE B 576 17.030 1.306 5.958 1.00 0.00 H new ATOM 0 HG22 ILE B 576 16.375 2.510 4.823 1.00 0.00 H new ATOM 0 HG23 ILE B 576 17.805 1.551 4.375 1.00 0.00 H new ATOM 0 HD11 ILE B 576 20.139 0.994 7.773 1.00 0.00 H new ATOM 0 HD12 ILE B 576 18.635 1.819 8.246 1.00 0.00 H new ATOM 0 HD13 ILE B 576 18.609 0.595 6.955 1.00 0.00 H new ATOM 1858 N ASN B 577 16.580 5.592 4.809 1.00 0.00 N ATOM 1859 CA ASN B 577 15.348 6.182 4.282 1.00 0.00 C ATOM 1860 C ASN B 577 15.575 6.896 2.952 1.00 0.00 C ATOM 1861 O ASN B 577 14.837 6.676 1.989 1.00 0.00 O ATOM 1862 CB ASN B 577 14.773 7.173 5.299 1.00 0.00 C ATOM 1863 CG ASN B 577 13.277 7.021 5.492 1.00 0.00 C ATOM 1864 OD1 ASN B 577 12.481 7.638 4.787 1.00 0.00 O ATOM 1865 ND2 ASN B 577 12.886 6.204 6.459 1.00 0.00 N ATOM 0 H ASN B 577 16.822 5.897 5.752 1.00 0.00 H new ATOM 0 HA ASN B 577 14.645 5.368 4.108 1.00 0.00 H new ATOM 0 HB2 ASN B 577 15.274 7.034 6.257 1.00 0.00 H new ATOM 0 HB3 ASN B 577 14.990 8.189 4.971 1.00 0.00 H new ATOM 0 HD21 ASN B 577 11.892 6.068 6.641 1.00 0.00 H new ATOM 0 HD22 ASN B 577 13.579 5.711 7.021 1.00 0.00 H new ATOM 1872 N ALA B 578 16.604 7.735 2.899 1.00 0.00 N ATOM 1873 CA ALA B 578 16.919 8.479 1.684 1.00 0.00 C ATOM 1874 C ALA B 578 17.293 7.533 0.549 1.00 0.00 C ATOM 1875 O ALA B 578 16.988 7.796 -0.614 1.00 0.00 O ATOM 1876 CB ALA B 578 18.034 9.478 1.941 1.00 0.00 C ATOM 0 H ALA B 578 17.233 7.917 3.681 1.00 0.00 H new ATOM 0 HA ALA B 578 16.028 9.031 1.384 1.00 0.00 H new ATOM 0 HB1 ALA B 578 18.254 10.022 1.023 1.00 0.00 H new ATOM 0 HB2 ALA B 578 17.722 10.181 2.714 1.00 0.00 H new ATOM 0 HB3 ALA B 578 18.928 8.949 2.272 1.00 0.00 H new ATOM 1882 N ALA B 579 17.945 6.430 0.899 1.00 0.00 N ATOM 1883 CA ALA B 579 18.348 5.437 -0.086 1.00 0.00 C ATOM 1884 C ALA B 579 17.116 4.855 -0.764 1.00 0.00 C ATOM 1885 O ALA B 579 17.037 4.804 -1.986 1.00 0.00 O ATOM 1886 CB ALA B 579 19.172 4.336 0.569 1.00 0.00 C ATOM 0 H ALA B 579 18.205 6.202 1.859 1.00 0.00 H new ATOM 0 HA ALA B 579 18.970 5.919 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA B 579 19.464 3.603 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA B 579 20.065 4.769 1.019 1.00 0.00 H new ATOM 0 HB3 ALA B 579 18.577 3.847 1.340 1.00 0.00 H new ATOM 1892 N ILE B 580 16.166 4.413 0.052 1.00 0.00 N ATOM 1893 CA ILE B 580 14.912 3.852 -0.445 1.00 0.00 C ATOM 1894 C ILE B 580 14.208 4.817 -1.404 1.00 0.00 C ATOM 1895 O ILE B 580 13.771 4.421 -2.486 1.00 0.00 O ATOM 1896 CB ILE B 580 13.960 3.496 0.717 1.00 0.00 C ATOM 1897 CG1 ILE B 580 14.611 2.455 1.631 1.00 0.00 C ATOM 1898 CG2 ILE B 580 12.632 2.979 0.180 1.00 0.00 C ATOM 1899 CD1 ILE B 580 13.891 2.267 2.948 1.00 0.00 C ATOM 0 H ILE B 580 16.240 4.432 1.069 1.00 0.00 H new ATOM 0 HA ILE B 580 15.165 2.941 -0.988 1.00 0.00 H new ATOM 0 HB ILE B 580 13.766 4.398 1.298 1.00 0.00 H new ATOM 0 HG12 ILE B 580 14.650 1.499 1.109 1.00 0.00 H new ATOM 0 HG13 ILE B 580 15.641 2.752 1.829 1.00 0.00 H new ATOM 0 HG21 ILE B 580 11.974 2.733 1.013 1.00 0.00 H new ATOM 0 HG22 ILE B 580 12.165 3.747 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE B 580 12.805 2.086 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE B 580 14.410 1.515 3.542 1.00 0.00 H new ATOM 0 HD12 ILE B 580 13.875 3.211 3.492 1.00 0.00 H new ATOM 0 HD13 ILE B 580 12.869 1.939 2.760 1.00 0.00 H new ATOM 1911 N GLU B 581 14.136 6.092 -1.022 1.00 0.00 N ATOM 1912 CA GLU B 581 13.486 7.102 -1.855 1.00 0.00 C ATOM 1913 C GLU B 581 14.275 7.325 -3.145 1.00 0.00 C ATOM 1914 O GLU B 581 13.704 7.595 -4.202 1.00 0.00 O ATOM 1915 CB GLU B 581 13.348 8.425 -1.096 1.00 0.00 C ATOM 1916 CG GLU B 581 12.106 8.511 -0.221 1.00 0.00 C ATOM 1917 CD GLU B 581 11.877 9.909 0.324 1.00 0.00 C ATOM 1918 OE1 GLU B 581 11.467 10.795 -0.459 1.00 0.00 O ATOM 1919 OE2 GLU B 581 12.127 10.131 1.526 1.00 0.00 O ATOM 0 H GLU B 581 14.518 6.448 -0.146 1.00 0.00 H new ATOM 0 HA GLU B 581 12.490 6.738 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU B 581 14.230 8.567 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU B 581 13.331 9.244 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU B 581 11.235 8.203 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU B 581 12.201 7.811 0.609 1.00 0.00 H new ATOM 1926 N ARG B 582 15.591 7.223 -3.039 1.00 0.00 N ATOM 1927 CA ARG B 582 16.482 7.399 -4.183 1.00 0.00 C ATOM 1928 C ARG B 582 16.407 6.204 -5.132 1.00 0.00 C ATOM 1929 O ARG B 582 16.386 6.371 -6.352 1.00 0.00 O ATOM 1930 CB ARG B 582 17.924 7.589 -3.696 1.00 0.00 C ATOM 1931 CG ARG B 582 18.957 7.615 -4.813 1.00 0.00 C ATOM 1932 CD ARG B 582 18.853 8.883 -5.644 1.00 0.00 C ATOM 1933 NE ARG B 582 19.675 8.809 -6.848 1.00 0.00 N ATOM 1934 CZ ARG B 582 20.444 9.799 -7.292 1.00 0.00 C ATOM 1935 NH1 ARG B 582 20.488 10.959 -6.643 1.00 0.00 N ATOM 1936 NH2 ARG B 582 21.166 9.628 -8.392 1.00 0.00 N ATOM 0 H ARG B 582 16.073 7.017 -2.164 1.00 0.00 H new ATOM 0 HA ARG B 582 16.162 8.286 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG B 582 17.987 8.521 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG B 582 18.172 6.784 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG B 582 19.957 7.541 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG B 582 18.820 6.746 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG B 582 17.813 9.051 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG B 582 19.163 9.738 -5.043 1.00 0.00 H new ATOM 0 HE ARG B 582 19.658 7.941 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG B 582 19.930 11.093 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG B 582 21.080 11.715 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG B 582 21.130 8.740 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG B 582 21.757 10.384 -8.737 1.00 0.00 H new ATOM 1950 N LEU B 583 16.330 5.011 -4.554 1.00 0.00 N ATOM 1951 CA LEU B 583 16.289 3.767 -5.318 1.00 0.00 C ATOM 1952 C LEU B 583 15.127 3.754 -6.309 1.00 0.00 C ATOM 1953 O LEU B 583 15.325 3.540 -7.503 1.00 0.00 O ATOM 1954 CB LEU B 583 16.193 2.569 -4.368 1.00 0.00 C ATOM 1955 CG LEU B 583 16.504 1.205 -4.992 1.00 0.00 C ATOM 1956 CD1 LEU B 583 17.852 1.228 -5.696 1.00 0.00 C ATOM 1957 CD2 LEU B 583 16.484 0.121 -3.926 1.00 0.00 C ATOM 0 H LEU B 583 16.294 4.877 -3.543 1.00 0.00 H new ATOM 0 HA LEU B 583 17.213 3.696 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU B 583 16.877 2.732 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU B 583 15.186 2.537 -3.952 1.00 0.00 H new ATOM 0 HG LEU B 583 15.735 0.984 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU B 583 18.052 0.249 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU B 583 17.838 1.980 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU B 583 18.634 1.472 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU B 583 16.707 -0.843 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU B 583 17.233 0.344 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU B 583 15.498 0.084 -3.463 1.00 0.00 H new ATOM 1969 N LEU B 584 13.922 4.005 -5.818 1.00 0.00 N ATOM 1970 CA LEU B 584 12.744 4.018 -6.679 1.00 0.00 C ATOM 1971 C LEU B 584 12.455 5.430 -7.181 1.00 0.00 C ATOM 1972 O LEU B 584 11.336 5.747 -7.586 1.00 0.00 O ATOM 1973 CB LEU B 584 11.528 3.452 -5.937 1.00 0.00 C ATOM 1974 CG LEU B 584 11.231 4.094 -4.580 1.00 0.00 C ATOM 1975 CD1 LEU B 584 10.031 5.024 -4.680 1.00 0.00 C ATOM 1976 CD2 LEU B 584 10.992 3.018 -3.533 1.00 0.00 C ATOM 0 H LEU B 584 13.733 4.201 -4.835 1.00 0.00 H new ATOM 0 HA LEU B 584 12.947 3.384 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU B 584 10.650 3.565 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU B 584 11.679 2.383 -5.789 1.00 0.00 H new ATOM 0 HG LEU B 584 12.094 4.687 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU B 584 9.835 5.471 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU B 584 10.240 5.811 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU B 584 9.157 4.457 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU B 584 10.782 3.486 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU B 584 10.143 2.403 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU B 584 11.880 2.392 -3.445 1.00 0.00 H new ATOM 1988 N GLY B 585 13.473 6.275 -7.150 1.00 0.00 N ATOM 1989 CA GLY B 585 13.315 7.636 -7.607 1.00 0.00 C ATOM 1990 C GLY B 585 14.042 7.879 -8.910 1.00 0.00 C ATOM 1991 O GLY B 585 13.419 8.131 -9.941 1.00 0.00 O ATOM 0 H GLY B 585 14.408 6.041 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY B 585 12.255 7.855 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY B 585 13.692 8.321 -6.847 1.00 0.00 H new ATOM 1995 N SER B 586 15.364 7.800 -8.862 1.00 0.00 N ATOM 1996 CA SER B 586 16.197 8.009 -10.037 1.00 0.00 C ATOM 1997 C SER B 586 17.557 7.355 -9.824 1.00 0.00 C ATOM 1998 O SER B 586 18.105 7.401 -8.722 1.00 0.00 O ATOM 1999 CB SER B 586 16.375 9.508 -10.318 1.00 0.00 C ATOM 2000 OG SER B 586 15.121 10.163 -10.457 1.00 0.00 O ATOM 0 H SER B 586 15.887 7.590 -8.012 1.00 0.00 H new ATOM 0 HA SER B 586 15.706 7.555 -10.898 1.00 0.00 H new ATOM 0 HB2 SER B 586 16.939 9.967 -9.506 1.00 0.00 H new ATOM 0 HB3 SER B 586 16.960 9.642 -11.228 1.00 0.00 H new ATOM 0 HG SER B 586 15.267 11.116 -10.634 1.00 0.00 H new ATOM 2006 N SER B 587 18.085 6.737 -10.866 1.00 0.00 N ATOM 2007 CA SER B 587 19.377 6.080 -10.787 1.00 0.00 C ATOM 2008 C SER B 587 20.499 7.112 -10.683 1.00 0.00 C ATOM 2009 O SER B 587 20.747 7.833 -11.675 1.00 0.00 O ATOM 2010 CB SER B 587 19.571 5.188 -12.011 1.00 0.00 C ATOM 2011 OG SER B 587 18.408 4.409 -12.254 1.00 0.00 O ATOM 2012 OXT SER B 587 21.118 7.217 -9.603 1.00 0.00 O ATOM 0 H SER B 587 17.636 6.677 -11.780 1.00 0.00 H new ATOM 0 HA SER B 587 19.410 5.461 -9.890 1.00 0.00 H new ATOM 0 HB2 SER B 587 19.792 5.803 -12.884 1.00 0.00 H new ATOM 0 HB3 SER B 587 20.428 4.533 -11.857 1.00 0.00 H new ATOM 0 HG SER B 587 18.551 3.845 -13.043 1.00 0.00 H new TER 2018 SER B 587