USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 848 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 49 THR OG1 : rot -87:sc= -0.341 USER MOD Set 1.2: B 51 THR OG1 : rot 76:sc= -0.288 USER MOD Set 2.1: B 8 ASN :FLIP amide:sc= -1.17 F(o=-2!,f=-1.1) USER MOD Set 2.2: B 55 THR OG1 : rot 2:sc= 0.0749 USER MOD Set 3.1: A 49 THR OG1 : rot -86:sc= -0.317 USER MOD Set 3.2: A 51 THR OG1 : rot 70:sc= -0.215 USER MOD Set 4.1: A 8 ASN :FLIP amide:sc= -1.17 F(o=-2!,f=-1.1) USER MOD Set 4.2: A 55 THR OG1 : rot 6:sc= 0.0558 USER MOD Single : A 1 MET CE :methyl 159:sc= -4.18! (180deg=-5.47!) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.5 (180deg=-0.378!) USER MOD Single : A 2 GLN :FLIP amide:sc= -1.89 F(o=-2.7,f=-1.9) USER MOD Single : A 3 TYR OH : rot 5:sc= -0.492 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= 0.0177 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 0.25 (180deg=-3.15!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -120:sc= -3.02! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.174 F(o=-1.2!,f=-0.17) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.65) USER MOD Single : A 37 ASN : amide:sc= -4.46! C(o=-4.5!,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.668 USER MOD Single : A 45 TYR OH : rot -0:sc= -0.719 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.315 USER MOD Single : B 1 MET CE :methyl 158:sc= -4.23! (180deg=-5.35!) USER MOD Single : B 1 MET N :NH3+ 160:sc= 0.261 (180deg=-0.256) USER MOD Single : B 2 GLN :FLIP amide:sc= -1.63 F(o=-2.4,f=-1.6) USER MOD Single : B 3 TYR OH : rot 157:sc= -0.0398 USER MOD Single : B 4 LYS NZ :NH3+ 155:sc= 0.00462 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -126:sc= 0.321 (180deg=-3.02!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.05 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.126 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -130:sc= -2.62! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.28) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -5.84! C(o=-5.8!,f=-12!) USER MOD Single : B 37 ASN : amide:sc= -3.94! C(o=-3.9!,f=-4.3!) USER MOD Single : B 44 THR OG1 : rot -170:sc= -0.716 USER MOD Single : B 45 TYR OH : rot -3:sc= -0.751 USER MOD Single : B 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00781) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.382 6.364 -17.832 1.00 0.00 N ATOM 2 CA MET A 1 -4.742 6.533 -17.244 1.00 0.00 C ATOM 3 C MET A 1 -4.789 5.872 -15.868 1.00 0.00 C ATOM 4 O MET A 1 -3.753 5.643 -15.238 1.00 0.00 O ATOM 5 CB MET A 1 -5.795 5.909 -18.171 1.00 0.00 C ATOM 6 CG MET A 1 -5.454 4.441 -18.432 1.00 0.00 C ATOM 7 SD MET A 1 -5.876 3.413 -17.009 1.00 0.00 S ATOM 8 CE MET A 1 -7.662 3.700 -17.004 1.00 0.00 C ATOM 0 H1 MET A 1 -3.454 6.328 -18.869 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.782 7.167 -17.555 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.960 5.480 -17.483 1.00 0.00 H new ATOM 0 HA MET A 1 -4.960 7.595 -17.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.783 5.987 -17.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.833 6.456 -19.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.994 4.090 -19.311 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.391 4.345 -18.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.158 2.895 -16.462 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.876 4.651 -16.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.029 3.727 -18.030 1.00 0.00 H new ATOM 20 N GLN A 2 -6.004 5.619 -15.389 1.00 0.00 N ATOM 21 CA GLN A 2 -6.191 5.035 -14.051 1.00 0.00 C ATOM 22 C GLN A 2 -5.963 3.535 -14.043 1.00 0.00 C ATOM 23 O GLN A 2 -6.727 2.783 -14.622 1.00 0.00 O ATOM 24 CB GLN A 2 -7.612 5.314 -13.522 1.00 0.00 C ATOM 25 CG GLN A 2 -7.625 5.166 -11.986 1.00 0.00 C ATOM 26 CD GLN A 2 -7.007 6.409 -11.359 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.881 6.307 -10.692 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.535 7.500 -11.527 1.00 0.00 N flip ATOM 0 H GLN A 2 -6.869 5.804 -15.896 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.450 5.508 -13.406 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.926 6.319 -13.804 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.322 4.620 -13.971 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.647 5.034 -11.630 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.067 4.278 -11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.410 7.569 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.100 8.341 -11.147 1.00 0.00 H new ATOM 37 N TYR A 3 -4.952 3.117 -13.295 1.00 0.00 N ATOM 38 CA TYR A 3 -4.631 1.706 -13.117 1.00 0.00 C ATOM 39 C TYR A 3 -5.060 1.319 -11.720 1.00 0.00 C ATOM 40 O TYR A 3 -5.359 2.205 -10.928 1.00 0.00 O ATOM 41 CB TYR A 3 -3.142 1.484 -13.325 1.00 0.00 C ATOM 42 CG TYR A 3 -2.851 1.695 -14.787 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.979 0.622 -15.688 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.452 2.960 -15.261 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.756 0.826 -17.064 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.214 3.157 -16.634 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.391 2.097 -17.535 1.00 0.00 C ATOM 48 OH TYR A 3 -2.169 2.286 -18.882 1.00 0.00 O ATOM 0 H TYR A 3 -4.328 3.748 -12.792 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.153 1.086 -13.846 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.563 2.177 -12.715 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.858 0.477 -13.019 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.248 -0.359 -15.325 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.328 3.780 -14.569 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.866 0.005 -17.756 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.895 4.124 -16.994 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.387 1.463 -19.368 1.00 0.00 H new ATOM 58 N LYS A 4 -5.117 0.028 -11.384 1.00 0.00 N ATOM 59 CA LYS A 4 -5.551 -0.370 -10.046 1.00 0.00 C ATOM 60 C LYS A 4 -4.636 -1.460 -9.502 1.00 0.00 C ATOM 61 O LYS A 4 -4.311 -2.419 -10.200 1.00 0.00 O ATOM 62 CB LYS A 4 -6.997 -0.865 -10.144 1.00 0.00 C ATOM 63 CG LYS A 4 -7.514 -1.327 -8.785 1.00 0.00 C ATOM 64 CD LYS A 4 -9.005 -1.649 -8.920 1.00 0.00 C ATOM 65 CE LYS A 4 -9.573 -2.074 -7.566 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.036 -2.338 -7.701 1.00 0.00 N ATOM 0 H LYS A 4 -4.874 -0.743 -12.005 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.499 0.475 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.633 -0.066 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.055 -1.687 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.965 -2.207 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.360 -0.550 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.542 -0.776 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.149 -2.445 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.062 -2.969 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.400 -1.293 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.356 -2.934 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.554 -1.436 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.219 -2.828 -8.600 1.00 0.00 H new ATOM 80 N LEU A 5 -4.218 -1.291 -8.251 1.00 0.00 N ATOM 81 CA LEU A 5 -3.327 -2.247 -7.598 1.00 0.00 C ATOM 82 C LEU A 5 -4.121 -3.179 -6.717 1.00 0.00 C ATOM 83 O LEU A 5 -4.661 -2.763 -5.701 1.00 0.00 O ATOM 84 CB LEU A 5 -2.308 -1.480 -6.739 1.00 0.00 C ATOM 85 CG LEU A 5 -1.076 -2.341 -6.371 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.501 -3.601 -5.611 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.277 -2.741 -7.631 1.00 0.00 C ATOM 0 H LEU A 5 -4.483 -0.498 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.809 -2.832 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.979 -0.592 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.793 -1.137 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.435 -1.736 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.619 -4.191 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.017 -3.316 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.170 -4.194 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.582 -3.345 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.916 -3.318 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.068 -1.843 -8.144 1.00 0.00 H new ATOM 99 N ILE A 6 -4.141 -4.448 -7.085 1.00 0.00 N ATOM 100 CA ILE A 6 -4.821 -5.454 -6.286 1.00 0.00 C ATOM 101 C ILE A 6 -3.752 -6.127 -5.469 1.00 0.00 C ATOM 102 O ILE A 6 -2.769 -6.625 -6.029 1.00 0.00 O ATOM 103 CB ILE A 6 -5.521 -6.456 -7.193 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.460 -5.677 -8.112 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.307 -7.459 -6.347 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.171 -6.624 -9.071 1.00 0.00 C ATOM 0 H ILE A 6 -3.696 -4.806 -7.930 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.585 -5.014 -5.645 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.796 -7.012 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.194 -5.134 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.895 -4.935 -8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.806 -8.174 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.624 -7.989 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.052 -6.929 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.836 -6.054 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.433 -7.148 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.753 -7.349 -8.502 1.00 0.00 H new ATOM 118 N LEU A 7 -3.877 -6.109 -4.146 1.00 0.00 N ATOM 119 CA LEU A 7 -2.853 -6.677 -3.290 1.00 0.00 C ATOM 120 C LEU A 7 -3.256 -8.046 -2.768 1.00 0.00 C ATOM 121 O LEU A 7 -4.243 -8.185 -2.046 1.00 0.00 O ATOM 122 CB LEU A 7 -2.660 -5.724 -2.110 1.00 0.00 C ATOM 123 CG LEU A 7 -1.446 -6.130 -1.268 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.147 -5.979 -2.092 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.387 -5.249 0.004 1.00 0.00 C ATOM 0 H LEU A 7 -4.673 -5.709 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.933 -6.801 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.528 -4.706 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.555 -5.724 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.543 -7.175 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.707 -6.271 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.199 -6.619 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.032 -4.941 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.524 -5.535 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.298 -4.201 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.298 -5.389 0.586 1.00 0.00 H new ATOM 137 N ASN A 8 -2.426 -9.034 -3.074 1.00 0.00 N ATOM 138 CA ASN A 8 -2.638 -10.387 -2.562 1.00 0.00 C ATOM 139 C ASN A 8 -1.403 -10.821 -1.796 1.00 0.00 C ATOM 140 O ASN A 8 -0.280 -10.743 -2.297 1.00 0.00 O ATOM 141 CB ASN A 8 -2.974 -11.381 -3.674 1.00 0.00 C ATOM 142 CG ASN A 8 -3.801 -10.714 -4.751 1.00 0.00 C ATOM 143 OD1 ASN A 8 -3.215 -10.427 -5.891 1.00 0.00 O flip ATOM 144 ND2 ASN A 8 -4.993 -10.493 -4.569 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.605 -8.929 -3.670 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.500 -10.374 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.055 -11.776 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.521 -12.228 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.424 -10.725 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.554 -10.077 -5.312 1.00 0.00 H new ATOM 151 N GLY A 9 -1.624 -11.262 -0.576 1.00 0.00 N ATOM 152 CA GLY A 9 -0.528 -11.696 0.273 1.00 0.00 C ATOM 153 C GLY A 9 -1.009 -12.108 1.657 1.00 0.00 C ATOM 154 O GLY A 9 -2.206 -12.168 1.910 1.00 0.00 O ATOM 0 H GLY A 9 -2.548 -11.331 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.015 -12.535 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.199 -10.890 0.367 1.00 0.00 H new ATOM 158 N LYS A 10 -0.063 -12.417 2.550 1.00 0.00 N ATOM 159 CA LYS A 10 -0.410 -12.857 3.903 1.00 0.00 C ATOM 160 C LYS A 10 -0.267 -11.713 4.910 1.00 0.00 C ATOM 161 O LYS A 10 -1.172 -11.462 5.707 1.00 0.00 O ATOM 162 CB LYS A 10 0.496 -14.028 4.319 1.00 0.00 C ATOM 163 CG LYS A 10 0.742 -14.978 3.131 1.00 0.00 C ATOM 164 CD LYS A 10 -0.560 -15.660 2.701 1.00 0.00 C ATOM 165 CE LYS A 10 -0.268 -16.585 1.517 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.510 -17.303 1.115 1.00 0.00 N ATOM 0 H LYS A 10 0.939 -12.371 2.362 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.451 -13.181 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.448 -13.645 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.035 -14.577 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.159 -14.419 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.478 -15.732 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.979 -16.230 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.302 -14.913 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.115 -16.005 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.506 -17.303 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.304 -17.929 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.858 -17.870 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.236 -16.612 0.839 1.00 0.00 H new ATOM 180 N THR A 11 0.877 -11.034 4.876 1.00 0.00 N ATOM 181 CA THR A 11 1.136 -9.932 5.797 1.00 0.00 C ATOM 182 C THR A 11 0.514 -8.631 5.299 1.00 0.00 C ATOM 183 O THR A 11 0.478 -7.638 6.026 1.00 0.00 O ATOM 184 CB THR A 11 2.646 -9.757 5.964 1.00 0.00 C ATOM 185 OG1 THR A 11 3.228 -11.006 6.303 1.00 0.00 O ATOM 186 CG2 THR A 11 2.940 -8.745 7.071 1.00 0.00 C ATOM 0 H THR A 11 1.636 -11.227 4.223 1.00 0.00 H new ATOM 0 HA THR A 11 0.680 -10.172 6.758 1.00 0.00 H new ATOM 0 HB THR A 11 3.068 -9.392 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.196 -10.898 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.018 -8.629 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.496 -7.784 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.516 -9.100 8.010 1.00 0.00 H new ATOM 194 N LEU A 12 0.030 -8.632 4.057 1.00 0.00 N ATOM 195 CA LEU A 12 -0.587 -7.439 3.477 1.00 0.00 C ATOM 196 C LEU A 12 -1.706 -7.852 2.517 1.00 0.00 C ATOM 197 O LEU A 12 -1.533 -8.753 1.699 1.00 0.00 O ATOM 198 CB LEU A 12 0.495 -6.605 2.730 1.00 0.00 C ATOM 199 CG LEU A 12 0.516 -5.135 3.227 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.964 -5.070 4.700 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.477 -4.287 2.347 1.00 0.00 C ATOM 0 H LEU A 12 0.053 -9.441 3.436 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.017 -6.826 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.475 -7.057 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.298 -6.626 1.658 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.493 -4.730 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.973 -4.032 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.271 -5.642 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.965 -5.490 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.484 -3.257 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.484 -4.699 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.137 -4.309 1.312 1.00 0.00 H new ATOM 213 N LYS A 13 -2.823 -7.137 2.588 1.00 0.00 N ATOM 214 CA LYS A 13 -3.952 -7.363 1.687 1.00 0.00 C ATOM 215 C LYS A 13 -4.664 -6.034 1.479 1.00 0.00 C ATOM 216 O LYS A 13 -4.720 -5.219 2.400 1.00 0.00 O ATOM 217 CB LYS A 13 -4.953 -8.398 2.223 1.00 0.00 C ATOM 218 CG LYS A 13 -4.363 -9.811 2.166 1.00 0.00 C ATOM 219 CD LYS A 13 -5.499 -10.817 2.391 1.00 0.00 C ATOM 220 CE LYS A 13 -4.960 -12.244 2.360 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.391 -12.527 1.007 1.00 0.00 N ATOM 0 H LYS A 13 -2.973 -6.389 3.265 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.560 -7.763 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.220 -8.153 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.871 -8.359 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.887 -9.985 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.593 -9.932 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.980 -10.624 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.261 -10.693 1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.193 -12.372 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.758 -12.951 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.751 -13.440 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.672 -11.773 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.353 -12.565 1.068 1.00 0.00 H new ATOM 235 N GLY A 14 -5.215 -5.800 0.293 1.00 0.00 N ATOM 236 CA GLY A 14 -5.917 -4.539 0.046 1.00 0.00 C ATOM 237 C GLY A 14 -5.881 -4.141 -1.423 1.00 0.00 C ATOM 238 O GLY A 14 -5.526 -4.934 -2.293 1.00 0.00 O ATOM 0 H GLY A 14 -5.193 -6.446 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.953 -4.632 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.465 -3.749 0.646 1.00 0.00 H new ATOM 242 N GLU A 15 -6.271 -2.894 -1.693 1.00 0.00 N ATOM 243 CA GLU A 15 -6.295 -2.380 -3.057 1.00 0.00 C ATOM 244 C GLU A 15 -5.902 -0.897 -3.073 1.00 0.00 C ATOM 245 O GLU A 15 -6.574 -0.072 -2.457 1.00 0.00 O ATOM 246 CB GLU A 15 -7.710 -2.505 -3.644 1.00 0.00 C ATOM 247 CG GLU A 15 -8.148 -3.973 -3.734 1.00 0.00 C ATOM 248 CD GLU A 15 -9.645 -4.022 -4.013 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.061 -3.783 -5.169 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.406 -4.173 -3.032 1.00 0.00 O ATOM 0 H GLU A 15 -6.573 -2.225 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.588 -2.961 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.414 -1.951 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.736 -2.054 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.600 -4.483 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.920 -4.493 -2.803 1.00 0.00 H new ATOM 257 N THR A 16 -4.861 -0.550 -3.834 1.00 0.00 N ATOM 258 CA THR A 16 -4.448 0.853 -3.979 1.00 0.00 C ATOM 259 C THR A 16 -4.707 1.224 -5.431 1.00 0.00 C ATOM 260 O THR A 16 -4.962 0.334 -6.241 1.00 0.00 O ATOM 261 CB THR A 16 -2.965 1.048 -3.594 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.121 0.661 -4.665 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.645 0.210 -2.350 1.00 0.00 C ATOM 0 H THR A 16 -4.290 -1.214 -4.357 1.00 0.00 H new ATOM 0 HA THR A 16 -5.012 1.500 -3.307 1.00 0.00 H new ATOM 0 HB THR A 16 -2.791 2.102 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.185 0.792 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.598 0.347 -2.078 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.280 0.529 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.829 -0.843 -2.563 1.00 0.00 H new ATOM 271 N THR A 17 -4.685 2.505 -5.793 1.00 0.00 N ATOM 272 CA THR A 17 -4.968 2.885 -7.172 1.00 0.00 C ATOM 273 C THR A 17 -4.117 4.100 -7.537 1.00 0.00 C ATOM 274 O THR A 17 -4.061 5.066 -6.779 1.00 0.00 O ATOM 275 CB THR A 17 -6.462 3.237 -7.293 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.226 2.299 -6.546 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.905 3.198 -8.754 1.00 0.00 C ATOM 0 H THR A 17 -4.479 3.282 -5.165 1.00 0.00 H new ATOM 0 HA THR A 17 -4.732 2.063 -7.848 1.00 0.00 H new ATOM 0 HB THR A 17 -6.619 4.243 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.178 2.520 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.964 3.449 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.324 3.919 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.744 2.198 -9.157 1.00 0.00 H new ATOM 285 N THR A 18 -3.478 4.071 -8.704 1.00 0.00 N ATOM 286 CA THR A 18 -2.658 5.200 -9.161 1.00 0.00 C ATOM 287 C THR A 18 -3.134 5.597 -10.537 1.00 0.00 C ATOM 288 O THR A 18 -3.875 4.847 -11.178 1.00 0.00 O ATOM 289 CB THR A 18 -1.140 4.857 -9.178 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.417 6.024 -8.822 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.654 4.395 -10.577 1.00 0.00 C ATOM 0 H THR A 18 -3.509 3.283 -9.351 1.00 0.00 H new ATOM 0 HA THR A 18 -2.774 6.029 -8.463 1.00 0.00 H new ATOM 0 HB THR A 18 -0.973 4.040 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.543 5.828 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.411 4.168 -10.535 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.204 3.503 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.828 5.189 -11.303 1.00 0.00 H new ATOM 299 N GLU A 19 -2.673 6.733 -11.033 1.00 0.00 N ATOM 300 CA GLU A 19 -3.007 7.173 -12.364 1.00 0.00 C ATOM 301 C GLU A 19 -1.699 7.570 -13.001 1.00 0.00 C ATOM 302 O GLU A 19 -1.002 8.448 -12.496 1.00 0.00 O ATOM 303 CB GLU A 19 -3.948 8.378 -12.341 1.00 0.00 C ATOM 304 CG GLU A 19 -4.210 8.809 -13.784 1.00 0.00 C ATOM 305 CD GLU A 19 -5.344 9.827 -13.867 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.429 10.739 -13.015 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.160 9.672 -14.805 1.00 0.00 O ATOM 0 H GLU A 19 -2.060 7.369 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.520 6.382 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.884 8.120 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.503 9.196 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.302 9.239 -14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.459 7.935 -14.386 1.00 0.00 H new ATOM 314 N ALA A 20 -1.339 6.911 -14.082 1.00 0.00 N ATOM 315 CA ALA A 20 -0.078 7.195 -14.751 1.00 0.00 C ATOM 316 C ALA A 20 -0.376 7.809 -16.093 1.00 0.00 C ATOM 317 O ALA A 20 -1.537 7.841 -16.512 1.00 0.00 O ATOM 318 CB ALA A 20 0.705 5.878 -14.909 1.00 0.00 C ATOM 0 H ALA A 20 -1.896 6.177 -14.518 1.00 0.00 H new ATOM 0 HA ALA A 20 0.526 7.893 -14.171 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.653 6.076 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.896 5.448 -13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.120 5.176 -15.504 1.00 0.00 H new ATOM 324 N VAL A 21 0.656 8.242 -16.807 1.00 0.00 N ATOM 325 CA VAL A 21 0.412 8.785 -18.118 1.00 0.00 C ATOM 326 C VAL A 21 -0.264 7.680 -18.900 1.00 0.00 C ATOM 327 O VAL A 21 -1.265 7.918 -19.578 1.00 0.00 O ATOM 328 CB VAL A 21 1.706 9.280 -18.781 1.00 0.00 C ATOM 329 CG1 VAL A 21 2.836 8.298 -18.489 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.506 9.419 -20.295 1.00 0.00 C ATOM 0 H VAL A 21 1.631 8.226 -16.507 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.224 9.669 -18.075 1.00 0.00 H new ATOM 0 HB VAL A 21 1.965 10.258 -18.374 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.754 8.649 -18.960 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.985 8.225 -17.412 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.577 7.317 -18.887 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.430 9.771 -20.753 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.237 8.451 -20.717 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.708 10.135 -20.492 1.00 0.00 H new ATOM 340 N ASP A 22 0.233 6.438 -18.768 1.00 0.00 N ATOM 341 CA ASP A 22 -0.398 5.331 -19.427 1.00 0.00 C ATOM 342 C ASP A 22 0.168 3.987 -18.899 1.00 0.00 C ATOM 343 O ASP A 22 0.319 3.758 -17.684 1.00 0.00 O ATOM 344 CB ASP A 22 -0.224 5.421 -20.945 1.00 0.00 C ATOM 345 CG ASP A 22 -1.110 4.363 -21.600 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.332 4.351 -21.313 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.587 3.511 -22.351 1.00 0.00 O ATOM 0 H ASP A 22 1.057 6.199 -18.216 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.464 5.373 -19.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.497 6.415 -21.299 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.820 5.262 -21.216 1.00 0.00 H new ATOM 352 N ALA A 23 0.517 3.147 -19.856 1.00 0.00 N ATOM 353 CA ALA A 23 1.083 1.838 -19.557 1.00 0.00 C ATOM 354 C ALA A 23 2.528 1.887 -19.086 1.00 0.00 C ATOM 355 O ALA A 23 2.875 1.255 -18.128 1.00 0.00 O ATOM 356 CB ALA A 23 0.983 0.915 -20.775 1.00 0.00 C ATOM 0 H ALA A 23 0.419 3.346 -20.852 1.00 0.00 H new ATOM 0 HA ALA A 23 0.489 1.446 -18.731 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.411 -0.057 -20.531 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.064 0.791 -21.053 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.530 1.353 -21.610 1.00 0.00 H new ATOM 362 N ALA A 24 3.364 2.604 -19.783 1.00 0.00 N ATOM 363 CA ALA A 24 4.781 2.650 -19.454 1.00 0.00 C ATOM 364 C ALA A 24 5.036 3.125 -18.038 1.00 0.00 C ATOM 365 O ALA A 24 5.941 2.632 -17.373 1.00 0.00 O ATOM 366 CB ALA A 24 5.518 3.562 -20.432 1.00 0.00 C ATOM 0 H ALA A 24 3.098 3.171 -20.588 1.00 0.00 H new ATOM 0 HA ALA A 24 5.156 1.629 -19.533 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.577 3.589 -20.177 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.399 3.180 -21.446 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.105 4.569 -20.373 1.00 0.00 H new ATOM 372 N THR A 25 4.270 4.096 -17.595 1.00 0.00 N ATOM 373 CA THR A 25 4.455 4.652 -16.264 1.00 0.00 C ATOM 374 C THR A 25 3.802 3.795 -15.171 1.00 0.00 C ATOM 375 O THR A 25 4.444 3.490 -14.166 1.00 0.00 O ATOM 376 CB THR A 25 3.925 6.082 -16.294 1.00 0.00 C ATOM 377 OG1 THR A 25 4.607 6.755 -17.342 1.00 0.00 O ATOM 378 CG2 THR A 25 4.173 6.814 -14.965 1.00 0.00 C ATOM 0 H THR A 25 3.513 4.520 -18.132 1.00 0.00 H new ATOM 0 HA THR A 25 5.513 4.656 -16.002 1.00 0.00 H new ATOM 0 HB THR A 25 2.847 6.068 -16.453 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.098 7.519 -16.975 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.780 7.829 -15.030 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.671 6.281 -14.157 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.244 6.852 -14.765 1.00 0.00 H new ATOM 386 N ALA A 26 2.523 3.466 -15.319 1.00 0.00 N ATOM 387 CA ALA A 26 1.850 2.710 -14.263 1.00 0.00 C ATOM 388 C ALA A 26 2.590 1.409 -13.887 1.00 0.00 C ATOM 389 O ALA A 26 2.711 1.084 -12.723 1.00 0.00 O ATOM 390 CB ALA A 26 0.416 2.406 -14.711 1.00 0.00 C ATOM 0 H ALA A 26 1.947 3.699 -16.128 1.00 0.00 H new ATOM 0 HA ALA A 26 1.845 3.323 -13.362 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.097 1.842 -13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.115 3.341 -14.892 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.438 1.818 -15.629 1.00 0.00 H new ATOM 396 N GLU A 27 3.196 0.746 -14.853 1.00 0.00 N ATOM 397 CA GLU A 27 4.004 -0.444 -14.492 1.00 0.00 C ATOM 398 C GLU A 27 5.300 0.036 -13.872 1.00 0.00 C ATOM 399 O GLU A 27 5.812 -0.572 -12.921 1.00 0.00 O ATOM 400 CB GLU A 27 4.319 -1.440 -15.649 1.00 0.00 C ATOM 401 CG GLU A 27 3.839 -0.910 -16.976 1.00 0.00 C ATOM 402 CD GLU A 27 2.312 -0.993 -17.044 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.796 -2.092 -17.354 1.00 0.00 O ATOM 404 OE2 GLU A 27 1.642 0.009 -16.712 1.00 0.00 O ATOM 0 H GLU A 27 3.161 0.978 -15.846 1.00 0.00 H new ATOM 0 HA GLU A 27 3.389 -1.020 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.393 -1.620 -15.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.844 -2.399 -15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.163 0.123 -17.104 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.281 -1.486 -17.789 1.00 0.00 H new ATOM 411 N LYS A 28 5.823 1.155 -14.367 1.00 0.00 N ATOM 412 CA LYS A 28 7.059 1.675 -13.800 1.00 0.00 C ATOM 413 C LYS A 28 6.904 1.932 -12.310 1.00 0.00 C ATOM 414 O LYS A 28 7.758 1.531 -11.523 1.00 0.00 O ATOM 415 CB LYS A 28 7.447 2.985 -14.495 1.00 0.00 C ATOM 416 CG LYS A 28 8.929 3.313 -14.242 1.00 0.00 C ATOM 417 CD LYS A 28 9.177 4.824 -14.443 1.00 0.00 C ATOM 418 CE LYS A 28 8.919 5.575 -13.134 1.00 0.00 C ATOM 419 NZ LYS A 28 9.040 7.040 -13.375 1.00 0.00 N ATOM 0 H LYS A 28 5.426 1.701 -15.132 1.00 0.00 H new ATOM 0 HA LYS A 28 7.839 0.930 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.265 2.902 -15.566 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.821 3.798 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.207 3.022 -13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.558 2.739 -14.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.202 4.992 -14.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.524 5.207 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.925 5.338 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.633 5.260 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.865 7.553 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.997 7.257 -13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.342 7.333 -14.088 1.00 0.00 H new ATOM 433 N VAL A 29 5.863 2.663 -11.923 1.00 0.00 N ATOM 434 CA VAL A 29 5.704 3.012 -10.520 1.00 0.00 C ATOM 435 C VAL A 29 5.371 1.801 -9.630 1.00 0.00 C ATOM 436 O VAL A 29 6.103 1.535 -8.681 1.00 0.00 O ATOM 437 CB VAL A 29 4.671 4.162 -10.401 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.250 3.663 -10.131 1.00 0.00 C ATOM 439 CG2 VAL A 29 5.073 5.137 -9.290 1.00 0.00 C ATOM 0 H VAL A 29 5.135 3.016 -12.544 1.00 0.00 H new ATOM 0 HA VAL A 29 6.661 3.365 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 29 4.671 4.667 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.573 4.514 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.931 3.015 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.232 3.104 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.335 5.936 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.120 4.606 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.050 5.563 -9.516 1.00 0.00 H new ATOM 449 N PHE A 30 4.255 1.115 -9.867 1.00 0.00 N ATOM 450 CA PHE A 30 3.900 0.026 -8.960 1.00 0.00 C ATOM 451 C PHE A 30 5.057 -0.989 -8.813 1.00 0.00 C ATOM 452 O PHE A 30 5.238 -1.559 -7.731 1.00 0.00 O ATOM 453 CB PHE A 30 2.619 -0.737 -9.352 1.00 0.00 C ATOM 454 CG PHE A 30 1.362 0.108 -9.350 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.725 0.490 -8.150 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.823 0.523 -10.583 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.440 1.276 -8.190 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.339 1.313 -10.621 1.00 0.00 C ATOM 459 CZ PHE A 30 -0.974 1.679 -9.423 1.00 0.00 C ATOM 0 H PHE A 30 3.609 1.281 -10.639 1.00 0.00 H new ATOM 0 HA PHE A 30 3.704 0.521 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.754 -1.163 -10.346 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.483 -1.571 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.133 0.178 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.305 0.233 -11.505 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.924 1.570 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.742 1.638 -11.569 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.876 2.272 -9.451 1.00 0.00 H new ATOM 469 N LYS A 31 5.875 -1.193 -9.864 1.00 0.00 N ATOM 470 CA LYS A 31 7.013 -2.118 -9.716 1.00 0.00 C ATOM 471 C LYS A 31 7.971 -1.564 -8.702 1.00 0.00 C ATOM 472 O LYS A 31 8.541 -2.297 -7.897 1.00 0.00 O ATOM 473 CB LYS A 31 7.724 -2.396 -11.039 1.00 0.00 C ATOM 474 CG LYS A 31 6.800 -3.252 -11.900 1.00 0.00 C ATOM 475 CD LYS A 31 7.479 -3.645 -13.205 1.00 0.00 C ATOM 476 CE LYS A 31 6.517 -4.540 -13.985 1.00 0.00 C ATOM 477 NZ LYS A 31 7.141 -4.952 -15.271 1.00 0.00 N ATOM 0 H LYS A 31 5.778 -0.755 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 31 6.623 -3.076 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.962 -1.462 -11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.668 -2.912 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.513 -4.149 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.884 -2.702 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.731 -2.758 -13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.413 -4.171 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.265 -5.421 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.585 -4.008 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.482 -5.561 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.360 -4.107 -15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.018 -5.476 -15.079 1.00 0.00 H new ATOM 491 N GLN A 32 8.137 -0.261 -8.742 1.00 0.00 N ATOM 492 CA GLN A 32 9.033 0.387 -7.800 1.00 0.00 C ATOM 493 C GLN A 32 8.719 -0.140 -6.377 1.00 0.00 C ATOM 494 O GLN A 32 9.629 -0.436 -5.602 1.00 0.00 O ATOM 495 CB GLN A 32 8.855 1.931 -7.871 1.00 0.00 C ATOM 496 CG GLN A 32 10.215 2.686 -7.739 1.00 0.00 C ATOM 497 CD GLN A 32 10.849 2.954 -9.114 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.123 2.853 -10.207 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.065 2.825 -9.175 1.00 0.00 N flip ATOM 0 H GLN A 32 7.675 0.365 -9.402 1.00 0.00 H new ATOM 0 HA GLN A 32 10.069 0.158 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.383 2.198 -8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.183 2.255 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.058 3.631 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.901 2.097 -7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.629 2.903 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.514 2.640 -10.072 1.00 0.00 H new ATOM 508 N TYR A 33 7.421 -0.186 -6.037 1.00 0.00 N ATOM 509 CA TYR A 33 6.979 -0.597 -4.695 1.00 0.00 C ATOM 510 C TYR A 33 7.082 -2.111 -4.437 1.00 0.00 C ATOM 511 O TYR A 33 7.670 -2.535 -3.448 1.00 0.00 O ATOM 512 CB TYR A 33 5.486 -0.187 -4.509 1.00 0.00 C ATOM 513 CG TYR A 33 5.331 1.334 -4.434 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.783 2.156 -5.486 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.787 1.936 -3.279 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.708 3.557 -5.386 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.703 3.342 -3.183 1.00 0.00 C ATOM 518 CZ TYR A 33 5.162 4.148 -4.238 1.00 0.00 C ATOM 519 OH TYR A 33 5.068 5.518 -4.140 1.00 0.00 O ATOM 0 H TYR A 33 6.660 0.056 -6.672 1.00 0.00 H new ATOM 0 HA TYR A 33 7.645 -0.099 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.894 -0.574 -5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.093 -0.640 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.191 1.705 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.434 1.319 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.071 4.177 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.285 3.798 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 33 4.665 5.758 -3.280 1.00 0.00 H new ATOM 529 N PHE A 34 6.425 -2.907 -5.278 1.00 0.00 N ATOM 530 CA PHE A 34 6.364 -4.363 -5.026 1.00 0.00 C ATOM 531 C PHE A 34 7.455 -5.212 -5.636 1.00 0.00 C ATOM 532 O PHE A 34 7.197 -6.328 -6.098 1.00 0.00 O ATOM 533 CB PHE A 34 5.022 -4.920 -5.409 1.00 0.00 C ATOM 534 CG PHE A 34 3.985 -4.103 -4.710 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.679 -4.432 -3.374 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.289 -3.054 -5.343 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.705 -3.702 -2.671 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.314 -2.326 -4.639 1.00 0.00 C ATOM 539 CZ PHE A 34 2.026 -2.646 -3.300 1.00 0.00 C ATOM 0 H PHE A 34 5.938 -2.591 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 34 6.532 -4.430 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.882 -4.876 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.944 -5.968 -5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.195 -5.248 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.505 -2.809 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.479 -3.954 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.786 -1.520 -5.127 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.284 -2.080 -2.756 1.00 0.00 H new ATOM 549 N ASN A 35 8.678 -4.727 -5.585 1.00 0.00 N ATOM 550 CA ASN A 35 9.800 -5.474 -6.075 1.00 0.00 C ATOM 551 C ASN A 35 10.586 -6.013 -4.871 1.00 0.00 C ATOM 552 O ASN A 35 11.587 -6.698 -5.057 1.00 0.00 O ATOM 553 CB ASN A 35 10.609 -4.523 -6.981 1.00 0.00 C ATOM 554 CG ASN A 35 12.098 -4.495 -6.712 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.477 -3.884 -5.720 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.920 -4.726 -7.713 1.00 0.00 N ATOM 0 H ASN A 35 8.914 -3.810 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 35 9.519 -6.343 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.448 -4.811 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.215 -3.513 -6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.884 -4.395 -7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.593 -5.236 -8.534 1.00 0.00 H new ATOM 563 N ASP A 36 10.130 -5.716 -3.615 1.00 0.00 N ATOM 564 CA ASP A 36 10.888 -6.226 -2.446 1.00 0.00 C ATOM 565 C ASP A 36 10.314 -6.046 -1.037 1.00 0.00 C ATOM 566 O ASP A 36 10.709 -6.781 -0.221 1.00 0.00 O ATOM 567 CB ASP A 36 12.216 -5.535 -2.478 1.00 0.00 C ATOM 568 CG ASP A 36 13.048 -5.621 -1.180 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.654 -4.657 -0.482 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.269 -5.836 -1.383 1.00 0.00 O ATOM 0 H ASP A 36 9.299 -5.164 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 36 10.886 -7.308 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.804 -5.956 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.052 -4.483 -2.713 1.00 0.00 H new ATOM 575 N ASN A 37 9.349 -5.222 -0.796 1.00 0.00 N ATOM 576 CA ASN A 37 8.705 -5.127 0.558 1.00 0.00 C ATOM 577 C ASN A 37 8.378 -6.555 1.092 1.00 0.00 C ATOM 578 O ASN A 37 7.264 -6.846 1.520 1.00 0.00 O ATOM 579 CB ASN A 37 7.422 -4.288 0.433 1.00 0.00 C ATOM 580 CG ASN A 37 6.999 -4.265 -1.012 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.705 -5.375 -1.431 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.458 -3.217 -1.586 1.00 0.00 N ATOM 0 H ASN A 37 8.959 -4.586 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 37 9.384 -4.649 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.631 -4.712 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.597 -3.274 0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.809 -3.339 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.687 -2.280 -1.255 1.00 0.00 H new ATOM 589 N GLY A 38 9.379 -7.415 1.025 1.00 0.00 N ATOM 590 CA GLY A 38 9.304 -8.821 1.426 1.00 0.00 C ATOM 591 C GLY A 38 8.274 -9.571 0.579 1.00 0.00 C ATOM 592 O GLY A 38 8.466 -10.736 0.224 1.00 0.00 O ATOM 0 H GLY A 38 10.301 -7.151 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.283 -9.288 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.035 -8.890 2.480 1.00 0.00 H new ATOM 596 N VAL A 39 7.192 -8.875 0.269 1.00 0.00 N ATOM 597 CA VAL A 39 6.106 -9.412 -0.523 1.00 0.00 C ATOM 598 C VAL A 39 6.562 -9.781 -1.933 1.00 0.00 C ATOM 599 O VAL A 39 6.276 -10.882 -2.395 1.00 0.00 O ATOM 600 CB VAL A 39 4.999 -8.349 -0.570 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.939 -8.740 -1.598 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.365 -8.226 0.821 1.00 0.00 C ATOM 0 H VAL A 39 7.045 -7.910 0.566 1.00 0.00 H new ATOM 0 HA VAL A 39 5.739 -10.332 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 39 5.426 -7.390 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.159 -7.979 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.399 -8.820 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.502 -9.700 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.577 -7.473 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.940 -9.186 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.126 -7.931 1.543 1.00 0.00 H new ATOM 612 N ASP A 40 7.278 -8.856 -2.591 1.00 0.00 N ATOM 613 CA ASP A 40 7.801 -9.069 -3.958 1.00 0.00 C ATOM 614 C ASP A 40 6.951 -10.069 -4.745 1.00 0.00 C ATOM 615 O ASP A 40 7.474 -10.872 -5.513 1.00 0.00 O ATOM 616 CB ASP A 40 9.254 -9.582 -3.878 1.00 0.00 C ATOM 617 CG ASP A 40 9.301 -11.061 -3.469 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.217 -11.672 -3.295 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.412 -11.642 -3.370 1.00 0.00 O ATOM 0 H ASP A 40 7.512 -7.944 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 40 7.764 -8.114 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.741 -9.454 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.814 -8.985 -3.158 1.00 0.00 H new ATOM 624 N GLY A 41 5.653 -10.050 -4.504 1.00 0.00 N ATOM 625 CA GLY A 41 4.748 -10.993 -5.142 1.00 0.00 C ATOM 626 C GLY A 41 4.972 -11.113 -6.644 1.00 0.00 C ATOM 627 O GLY A 41 5.531 -10.212 -7.260 1.00 0.00 O ATOM 0 H GLY A 41 5.200 -9.392 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.872 -11.974 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.720 -10.682 -4.958 1.00 0.00 H new ATOM 631 N GLU A 42 4.509 -12.229 -7.239 1.00 0.00 N ATOM 632 CA GLU A 42 4.664 -12.402 -8.681 1.00 0.00 C ATOM 633 C GLU A 42 3.758 -11.419 -9.389 1.00 0.00 C ATOM 634 O GLU A 42 2.634 -11.149 -8.962 1.00 0.00 O ATOM 635 CB GLU A 42 4.393 -13.839 -9.148 1.00 0.00 C ATOM 636 CG GLU A 42 2.982 -14.305 -8.746 1.00 0.00 C ATOM 637 CD GLU A 42 3.059 -15.144 -7.466 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.062 -14.991 -6.736 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.214 -16.051 -7.285 1.00 0.00 O ATOM 0 H GLU A 42 4.041 -12.996 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 42 5.705 -12.204 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.502 -13.898 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.136 -14.510 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.335 -13.442 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.540 -14.892 -9.551 1.00 0.00 H new ATOM 646 N TRP A 43 4.310 -10.812 -10.411 1.00 0.00 N ATOM 647 CA TRP A 43 3.632 -9.754 -11.136 1.00 0.00 C ATOM 648 C TRP A 43 2.620 -10.151 -12.174 1.00 0.00 C ATOM 649 O TRP A 43 2.774 -11.112 -12.924 1.00 0.00 O ATOM 650 CB TRP A 43 4.695 -8.839 -11.748 1.00 0.00 C ATOM 651 CG TRP A 43 4.868 -7.791 -10.794 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.320 -7.960 -9.531 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.564 -6.364 -10.915 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.290 -6.758 -8.854 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.819 -5.742 -9.654 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.086 -5.532 -11.955 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.590 -4.379 -9.428 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.872 -4.156 -11.742 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.116 -3.585 -10.483 1.00 0.00 C ATOM 0 H TRP A 43 5.240 -11.034 -10.767 1.00 0.00 H new ATOM 0 HA TRP A 43 3.015 -9.254 -10.390 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.628 -9.376 -11.919 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.372 -8.447 -12.712 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.655 -8.898 -9.113 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.580 -6.638 -7.884 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.882 -5.958 -12.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.775 -3.946 -8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.518 -3.536 -12.553 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.938 -2.531 -10.326 1.00 0.00 H new ATOM 670 N THR A 44 1.621 -9.265 -12.249 1.00 0.00 N ATOM 671 CA THR A 44 0.573 -9.338 -13.251 1.00 0.00 C ATOM 672 C THR A 44 0.185 -7.907 -13.632 1.00 0.00 C ATOM 673 O THR A 44 0.267 -6.996 -12.805 1.00 0.00 O ATOM 674 CB THR A 44 -0.663 -10.091 -12.733 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.283 -10.937 -11.657 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.265 -10.940 -13.855 1.00 0.00 C ATOM 0 H THR A 44 1.524 -8.476 -11.609 1.00 0.00 H new ATOM 0 HA THR A 44 0.946 -9.888 -14.115 1.00 0.00 H new ATOM 0 HB THR A 44 -1.404 -9.369 -12.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.028 -11.531 -11.429 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.140 -11.471 -13.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.559 -10.294 -14.682 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.525 -11.661 -14.203 1.00 0.00 H new ATOM 684 N TYR A 45 -0.273 -7.713 -14.857 1.00 0.00 N ATOM 685 CA TYR A 45 -0.712 -6.387 -15.281 1.00 0.00 C ATOM 686 C TYR A 45 -1.736 -6.478 -16.389 1.00 0.00 C ATOM 687 O TYR A 45 -1.699 -7.383 -17.218 1.00 0.00 O ATOM 688 CB TYR A 45 0.486 -5.515 -15.658 1.00 0.00 C ATOM 689 CG TYR A 45 0.094 -4.397 -16.616 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.465 -3.200 -16.124 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.326 -4.531 -17.997 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.811 -2.166 -17.013 1.00 0.00 C ATOM 693 CE2 TYR A 45 -0.010 -3.493 -18.884 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.588 -2.314 -18.391 1.00 0.00 C ATOM 695 OH TYR A 45 -0.895 -1.284 -19.255 1.00 0.00 O ATOM 0 H TYR A 45 -0.352 -8.441 -15.568 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.208 -5.901 -14.441 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.920 -5.085 -14.756 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.256 -6.134 -16.118 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.628 -3.077 -15.063 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.766 -5.440 -18.380 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.250 -1.255 -16.634 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.176 -3.603 -19.942 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.261 -0.530 -18.748 1.00 0.00 H new ATOM 705 N ASP A 46 -2.613 -5.485 -16.427 1.00 0.00 N ATOM 706 CA ASP A 46 -3.626 -5.376 -17.466 1.00 0.00 C ATOM 707 C ASP A 46 -3.569 -3.956 -18.032 1.00 0.00 C ATOM 708 O ASP A 46 -3.392 -2.994 -17.278 1.00 0.00 O ATOM 709 CB ASP A 46 -5.010 -5.765 -16.870 1.00 0.00 C ATOM 710 CG ASP A 46 -5.849 -4.549 -16.438 1.00 0.00 C ATOM 711 OD1 ASP A 46 -5.393 -3.399 -16.654 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.916 -4.736 -15.805 1.00 0.00 O ATOM 0 H ASP A 46 -2.642 -4.733 -15.739 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.449 -6.063 -18.294 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.568 -6.339 -17.610 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.857 -6.417 -16.010 1.00 0.00 H new ATOM 717 N ASP A 47 -3.701 -3.794 -19.332 1.00 0.00 N ATOM 718 CA ASP A 47 -3.685 -2.449 -19.904 1.00 0.00 C ATOM 719 C ASP A 47 -5.105 -1.894 -20.005 1.00 0.00 C ATOM 720 O ASP A 47 -5.415 -0.797 -19.537 1.00 0.00 O ATOM 721 CB ASP A 47 -3.063 -2.527 -21.299 1.00 0.00 C ATOM 722 CG ASP A 47 -2.648 -1.151 -21.809 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.781 -0.147 -21.070 1.00 0.00 O ATOM 724 OD2 ASP A 47 -2.139 -1.082 -22.954 1.00 0.00 O ATOM 0 H ASP A 47 -3.818 -4.552 -20.005 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.103 -1.786 -19.264 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.193 -3.183 -21.273 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.777 -2.972 -21.992 1.00 0.00 H new ATOM 729 N ALA A 48 -5.907 -2.642 -20.744 1.00 0.00 N ATOM 730 CA ALA A 48 -7.295 -2.276 -21.109 1.00 0.00 C ATOM 731 C ALA A 48 -8.328 -2.527 -20.028 1.00 0.00 C ATOM 732 O ALA A 48 -9.501 -2.208 -20.207 1.00 0.00 O ATOM 733 CB ALA A 48 -7.714 -3.050 -22.350 1.00 0.00 C ATOM 0 H ALA A 48 -5.619 -3.544 -21.123 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.272 -1.199 -21.277 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.735 -2.781 -22.619 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.045 -2.805 -23.175 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.662 -4.120 -22.146 1.00 0.00 H new ATOM 739 N THR A 49 -7.897 -3.055 -18.914 1.00 0.00 N ATOM 740 CA THR A 49 -8.800 -3.295 -17.793 1.00 0.00 C ATOM 741 C THR A 49 -8.180 -2.668 -16.575 1.00 0.00 C ATOM 742 O THR A 49 -8.599 -2.919 -15.445 1.00 0.00 O ATOM 743 CB THR A 49 -9.120 -4.802 -17.573 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.106 -5.092 -16.182 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.115 -5.720 -18.296 1.00 0.00 C ATOM 0 H THR A 49 -6.929 -3.331 -18.747 1.00 0.00 H new ATOM 0 HA THR A 49 -9.768 -2.841 -18.008 1.00 0.00 H new ATOM 0 HB THR A 49 -10.108 -4.994 -17.992 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.190 -5.299 -15.900 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.378 -6.762 -18.114 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.145 -5.520 -19.367 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.110 -5.528 -17.919 1.00 0.00 H new ATOM 753 N LYS A 50 -7.199 -1.786 -16.827 1.00 0.00 N ATOM 754 CA LYS A 50 -6.533 -1.048 -15.776 1.00 0.00 C ATOM 755 C LYS A 50 -6.422 -1.887 -14.524 1.00 0.00 C ATOM 756 O LYS A 50 -7.241 -1.785 -13.612 1.00 0.00 O ATOM 757 CB LYS A 50 -7.272 0.291 -15.510 1.00 0.00 C ATOM 758 CG LYS A 50 -8.743 0.279 -16.000 1.00 0.00 C ATOM 759 CD LYS A 50 -8.824 0.382 -17.550 1.00 0.00 C ATOM 760 CE LYS A 50 -10.112 1.108 -17.973 1.00 0.00 C ATOM 761 NZ LYS A 50 -11.283 0.234 -17.673 1.00 0.00 N ATOM 0 H LYS A 50 -6.857 -1.575 -17.765 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.519 -0.810 -16.097 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.253 0.504 -14.441 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.736 1.100 -16.006 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.231 -0.637 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.285 1.110 -15.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.955 0.918 -17.931 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.801 -0.616 -17.989 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.203 2.055 -17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.080 1.342 -19.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.153 0.688 -18.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.161 -0.684 -18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.353 0.088 -16.646 1.00 0.00 H new ATOM 775 N THR A 51 -5.364 -2.679 -14.471 1.00 0.00 N ATOM 776 CA THR A 51 -5.130 -3.493 -13.283 1.00 0.00 C ATOM 777 C THR A 51 -3.684 -3.930 -13.117 1.00 0.00 C ATOM 778 O THR A 51 -2.930 -4.099 -14.076 1.00 0.00 O ATOM 779 CB THR A 51 -6.049 -4.714 -13.267 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.368 -4.309 -13.599 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.061 -5.342 -11.867 1.00 0.00 C ATOM 0 H THR A 51 -4.670 -2.778 -15.212 1.00 0.00 H new ATOM 0 HA THR A 51 -5.362 -2.848 -12.435 1.00 0.00 H new ATOM 0 HB THR A 51 -5.686 -5.444 -13.990 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.405 -4.061 -14.546 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.718 -6.212 -11.864 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.051 -5.650 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.423 -4.611 -11.144 1.00 0.00 H new ATOM 789 N PHE A 52 -3.363 -4.184 -11.865 1.00 0.00 N ATOM 790 CA PHE A 52 -2.075 -4.700 -11.442 1.00 0.00 C ATOM 791 C PHE A 52 -2.378 -5.774 -10.419 1.00 0.00 C ATOM 792 O PHE A 52 -3.370 -5.664 -9.695 1.00 0.00 O ATOM 793 CB PHE A 52 -1.196 -3.616 -10.832 1.00 0.00 C ATOM 794 CG PHE A 52 -0.518 -2.818 -11.906 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.597 -3.350 -12.581 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.972 -1.523 -12.215 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.259 -2.588 -13.562 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.305 -0.757 -13.189 1.00 0.00 C ATOM 799 CZ PHE A 52 0.812 -1.288 -13.857 1.00 0.00 C ATOM 0 H PHE A 52 -4.009 -4.033 -11.090 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.519 -5.089 -12.295 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.801 -2.957 -10.210 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.448 -4.070 -10.182 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.945 -4.345 -12.346 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.833 -1.117 -11.705 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.108 -3.001 -14.087 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.651 0.239 -13.423 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.328 -0.696 -14.598 1.00 0.00 H new ATOM 809 N THR A 53 -1.541 -6.794 -10.327 1.00 0.00 N ATOM 810 CA THR A 53 -1.788 -7.845 -9.335 1.00 0.00 C ATOM 811 C THR A 53 -0.503 -8.277 -8.662 1.00 0.00 C ATOM 812 O THR A 53 0.370 -8.898 -9.272 1.00 0.00 O ATOM 813 CB THR A 53 -2.479 -9.064 -9.986 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.250 -8.631 -11.096 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.400 -9.777 -8.985 1.00 0.00 C ATOM 0 H THR A 53 -0.709 -6.923 -10.903 1.00 0.00 H new ATOM 0 HA THR A 53 -2.451 -7.429 -8.576 1.00 0.00 H new ATOM 0 HB THR A 53 -1.707 -9.763 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.688 -9.403 -11.511 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.873 -10.631 -9.470 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.814 -10.122 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.168 -9.084 -8.640 1.00 0.00 H new ATOM 823 N VAL A 54 -0.432 -7.987 -7.379 1.00 0.00 N ATOM 824 CA VAL A 54 0.700 -8.377 -6.557 1.00 0.00 C ATOM 825 C VAL A 54 0.306 -9.671 -5.844 1.00 0.00 C ATOM 826 O VAL A 54 -0.793 -9.763 -5.289 1.00 0.00 O ATOM 827 CB VAL A 54 1.003 -7.277 -5.529 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.060 -7.763 -4.531 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.518 -6.029 -6.254 1.00 0.00 C ATOM 0 H VAL A 54 -1.156 -7.475 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 54 1.594 -8.524 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 54 0.089 -7.035 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.267 -6.975 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.690 -8.646 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.976 -8.014 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.733 -5.248 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.428 -6.276 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.760 -5.675 -6.952 1.00 0.00 H new ATOM 839 N THR A 55 1.213 -10.646 -5.817 1.00 0.00 N ATOM 840 CA THR A 55 0.917 -11.904 -5.113 1.00 0.00 C ATOM 841 C THR A 55 2.112 -12.461 -4.352 1.00 0.00 C ATOM 842 O THR A 55 3.002 -13.078 -4.929 1.00 0.00 O ATOM 843 CB THR A 55 0.384 -12.923 -6.125 1.00 0.00 C ATOM 844 OG1 THR A 55 -0.945 -12.572 -6.481 1.00 0.00 O ATOM 845 CG2 THR A 55 0.400 -14.340 -5.541 1.00 0.00 C ATOM 0 H THR A 55 2.132 -10.600 -6.257 1.00 0.00 H new ATOM 0 HA THR A 55 0.161 -11.695 -4.356 1.00 0.00 H new ATOM 0 HB THR A 55 1.027 -12.910 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.176 -11.711 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.016 -15.043 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.422 -14.613 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.227 -14.373 -4.650 1.00 0.00 H new ATOM 853 N GLU A 56 2.075 -12.258 -3.039 1.00 0.00 N ATOM 854 CA GLU A 56 3.128 -12.739 -2.143 1.00 0.00 C ATOM 855 C GLU A 56 3.633 -14.105 -2.605 1.00 0.00 C ATOM 856 O GLU A 56 2.807 -14.969 -2.846 1.00 0.00 O ATOM 857 CB GLU A 56 2.585 -12.832 -0.714 1.00 0.00 C ATOM 858 CG GLU A 56 3.726 -13.016 0.297 1.00 0.00 C ATOM 859 CD GLU A 56 4.402 -14.364 0.074 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.669 -15.350 -0.166 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.649 -14.413 0.016 1.00 0.00 O ATOM 862 OXT GLU A 56 4.838 -14.263 -2.712 1.00 0.00 O ATOM 0 H GLU A 56 1.321 -11.759 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 56 3.961 -12.037 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.024 -11.928 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.889 -13.668 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.454 -12.212 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.336 -12.958 1.313 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -3.804 -7.702 18.283 1.00 0.00 N ATOM 871 CA MET B 1 -5.120 -7.889 17.611 1.00 0.00 C ATOM 872 C MET B 1 -5.121 -7.149 16.274 1.00 0.00 C ATOM 873 O MET B 1 -4.061 -6.855 15.717 1.00 0.00 O ATOM 874 CB MET B 1 -6.249 -7.385 18.522 1.00 0.00 C ATOM 875 CG MET B 1 -5.992 -5.932 18.917 1.00 0.00 C ATOM 876 SD MET B 1 -6.389 -4.819 17.553 1.00 0.00 S ATOM 877 CE MET B 1 -8.158 -5.182 17.424 1.00 0.00 C ATOM 0 H1 MET B 1 -3.902 -7.898 19.300 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.108 -8.355 17.870 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.482 -6.722 18.149 1.00 0.00 H new ATOM 0 HA MET B 1 -5.287 -8.949 17.420 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.206 -7.467 18.008 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.313 -8.007 19.415 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.594 -5.675 19.789 1.00 0.00 H new ATOM 0 HG3 MET B 1 -4.947 -5.807 19.202 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.665 -4.352 16.932 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.301 -6.092 16.841 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.575 -5.321 18.422 1.00 0.00 H new ATOM 889 N GLN B 2 -6.314 -6.874 15.758 1.00 0.00 N ATOM 890 CA GLN B 2 -6.448 -6.198 14.460 1.00 0.00 C ATOM 891 C GLN B 2 -6.285 -4.694 14.592 1.00 0.00 C ATOM 892 O GLN B 2 -7.112 -4.026 15.190 1.00 0.00 O ATOM 893 CB GLN B 2 -7.823 -6.484 13.830 1.00 0.00 C ATOM 894 CG GLN B 2 -7.752 -6.219 12.312 1.00 0.00 C ATOM 895 CD GLN B 2 -7.065 -7.398 11.646 1.00 0.00 C ATOM 896 OE1 GLN B 2 -5.932 -7.240 11.001 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.563 -8.511 11.765 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.199 -7.104 16.210 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.657 -6.590 13.821 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.114 -7.518 14.017 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.584 -5.851 14.286 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.754 -6.085 11.904 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.202 -5.299 12.114 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.443 -8.625 12.268 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -7.097 -9.324 11.362 1.00 0.00 H new ATOM 906 N TYR B 3 -5.261 -4.171 13.935 1.00 0.00 N ATOM 907 CA TYR B 3 -4.988 -2.736 13.894 1.00 0.00 C ATOM 908 C TYR B 3 -5.382 -2.254 12.518 1.00 0.00 C ATOM 909 O TYR B 3 -5.608 -3.096 11.652 1.00 0.00 O ATOM 910 CB TYR B 3 -3.511 -2.494 14.183 1.00 0.00 C ATOM 911 CG TYR B 3 -3.288 -2.803 15.641 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.542 -1.802 16.600 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.918 -4.094 16.066 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.442 -2.103 17.971 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.822 -4.393 17.437 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.093 -3.396 18.389 1.00 0.00 C ATOM 917 OH TYR B 3 -2.990 -3.688 19.732 1.00 0.00 O ATOM 0 H TYR B 3 -4.589 -4.731 13.410 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.554 -2.188 14.647 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.887 -3.129 13.555 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.239 -1.462 13.962 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.813 -0.806 16.283 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.707 -4.859 15.334 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.635 -1.335 18.705 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.541 -5.386 17.757 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.105 -4.652 19.867 1.00 0.00 H new ATOM 927 N LYS B 4 -5.486 -0.944 12.248 1.00 0.00 N ATOM 928 CA LYS B 4 -5.876 -0.493 10.916 1.00 0.00 C ATOM 929 C LYS B 4 -4.993 0.682 10.508 1.00 0.00 C ATOM 930 O LYS B 4 -4.758 1.600 11.294 1.00 0.00 O ATOM 931 CB LYS B 4 -7.348 -0.069 10.977 1.00 0.00 C ATOM 932 CG LYS B 4 -7.813 0.485 9.634 1.00 0.00 C ATOM 933 CD LYS B 4 -9.325 0.727 9.707 1.00 0.00 C ATOM 934 CE LYS B 4 -9.838 1.234 8.360 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.318 1.419 8.430 1.00 0.00 N ATOM 0 H LYS B 4 -5.309 -0.198 12.921 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.753 -1.287 10.179 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.965 -0.923 11.255 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.481 0.686 11.752 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.291 1.414 9.406 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.580 -0.217 8.833 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.837 -0.197 9.976 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.548 1.454 10.488 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.354 2.177 8.106 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.586 0.524 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.613 2.127 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.791 0.514 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.582 1.745 9.382 1.00 0.00 H new ATOM 949 N LEU B 5 -4.493 0.638 9.277 1.00 0.00 N ATOM 950 CA LEU B 5 -3.615 1.690 8.762 1.00 0.00 C ATOM 951 C LEU B 5 -4.397 2.664 7.916 1.00 0.00 C ATOM 952 O LEU B 5 -4.860 2.316 6.836 1.00 0.00 O ATOM 953 CB LEU B 5 -2.516 1.046 7.906 1.00 0.00 C ATOM 954 CG LEU B 5 -1.308 1.989 7.684 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.750 3.287 6.999 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.607 2.325 9.020 1.00 0.00 C ATOM 0 H LEU B 5 -4.680 -0.115 8.615 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.175 2.229 9.601 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.174 0.130 8.388 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.933 0.761 6.940 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.601 1.466 7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.885 3.934 6.853 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.196 3.054 6.032 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.483 3.797 7.624 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.237 2.989 8.831 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.314 2.818 9.688 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.249 1.406 9.484 1.00 0.00 H new ATOM 968 N ILE B 6 -4.494 3.899 8.393 1.00 0.00 N ATOM 969 CA ILE B 6 -5.173 4.944 7.646 1.00 0.00 C ATOM 970 C ILE B 6 -4.101 5.754 6.949 1.00 0.00 C ATOM 971 O ILE B 6 -3.190 6.282 7.589 1.00 0.00 O ATOM 972 CB ILE B 6 -5.986 5.822 8.584 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.942 4.922 9.366 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.775 6.850 7.769 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.755 5.752 10.355 1.00 0.00 C ATOM 0 H ILE B 6 -4.112 4.198 9.290 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.866 4.518 6.921 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.331 6.356 9.272 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.611 4.404 8.678 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.378 4.156 9.899 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.357 7.479 8.442 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.084 7.471 7.200 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.447 6.333 7.084 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.433 5.100 10.906 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.081 6.249 11.053 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.333 6.501 9.813 1.00 0.00 H new ATOM 987 N LEU B 7 -4.169 5.781 5.626 1.00 0.00 N ATOM 988 CA LEU B 7 -3.152 6.457 4.839 1.00 0.00 C ATOM 989 C LEU B 7 -3.596 7.844 4.402 1.00 0.00 C ATOM 990 O LEU B 7 -4.547 7.997 3.642 1.00 0.00 O ATOM 991 CB LEU B 7 -2.839 5.609 3.609 1.00 0.00 C ATOM 992 CG LEU B 7 -1.603 6.149 2.879 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.342 5.999 3.765 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.423 5.385 1.545 1.00 0.00 C ATOM 0 H LEU B 7 -4.912 5.346 5.080 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.265 6.579 5.461 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.668 4.575 3.908 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.695 5.608 2.934 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.743 7.209 2.669 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.526 6.387 3.232 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.479 6.558 4.691 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.184 4.946 3.997 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.545 5.766 1.023 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.291 4.322 1.749 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.306 5.528 0.922 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.832 8.842 4.835 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.084 10.222 4.421 1.00 0.00 C ATOM 1008 C ASN B 8 -1.831 10.778 3.771 1.00 0.00 C ATOM 1009 O ASN B 8 -0.735 10.710 4.333 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.533 11.103 5.585 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.365 10.315 6.582 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -3.793 10.005 7.722 1.00 0.00 O flip ATOM 1013 ND2 ASN B 8 -5.554 10.100 6.377 1.00 0.00 N flip ATOM 0 H ASN B 8 -2.040 8.725 5.467 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.904 10.222 3.703 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.660 11.521 6.086 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.115 11.943 5.205 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.971 10.352 5.481 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.127 9.669 7.103 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.003 11.311 2.581 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.883 11.867 1.841 1.00 0.00 C ATOM 1022 C GLY B 9 -1.303 12.371 0.469 1.00 0.00 C ATOM 1023 O GLY B 9 -2.486 12.410 0.151 1.00 0.00 O ATOM 0 H GLY B 9 -2.902 11.373 2.104 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.443 12.686 2.410 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.110 11.107 1.727 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.325 12.782 -0.344 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.618 13.314 -1.676 1.00 0.00 C ATOM 1029 C LYS B 10 -0.362 12.262 -2.761 1.00 0.00 C ATOM 1030 O LYS B 10 -1.208 12.041 -3.630 1.00 0.00 O ATOM 1031 CB LYS B 10 0.251 14.557 -1.939 1.00 0.00 C ATOM 1032 CG LYS B 10 0.382 15.414 -0.664 1.00 0.00 C ATOM 1033 CD LYS B 10 -0.973 16.006 -0.267 1.00 0.00 C ATOM 1034 CE LYS B 10 -0.794 16.846 1.001 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.091 17.472 1.381 1.00 0.00 N ATOM 0 H LYS B 10 0.666 12.757 -0.106 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.672 13.588 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.240 14.249 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.190 15.152 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.771 14.804 0.151 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.100 16.217 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.367 16.622 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.696 15.209 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.431 16.219 1.815 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.043 17.618 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.963 18.041 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.421 18.084 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.796 16.729 1.559 1.00 0.00 H new ATOM 1049 N THR B 11 0.810 11.631 -2.711 1.00 0.00 N ATOM 1050 CA THR B 11 1.181 10.619 -3.700 1.00 0.00 C ATOM 1051 C THR B 11 0.630 9.245 -3.329 1.00 0.00 C ATOM 1052 O THR B 11 0.725 8.301 -4.111 1.00 0.00 O ATOM 1053 CB THR B 11 2.705 10.544 -3.794 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.230 11.846 -4.000 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.117 9.644 -4.956 1.00 0.00 C ATOM 0 H THR B 11 1.518 11.802 -1.997 1.00 0.00 H new ATOM 0 HA THR B 11 0.753 10.907 -4.660 1.00 0.00 H new ATOM 0 HB THR B 11 3.097 10.130 -2.865 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.207 11.799 -4.059 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.205 9.598 -5.013 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.719 8.641 -4.798 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.722 10.049 -5.888 1.00 0.00 H new ATOM 1063 N LEU B 12 0.037 9.148 -2.145 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.545 7.892 -1.680 1.00 0.00 C ATOM 1065 C LEU B 12 -1.743 8.193 -0.781 1.00 0.00 C ATOM 1066 O LEU B 12 -1.677 9.063 0.088 1.00 0.00 O ATOM 1067 CB LEU B 12 0.534 7.049 -0.935 1.00 0.00 C ATOM 1068 CG LEU B 12 0.661 5.624 -1.543 1.00 0.00 C ATOM 1069 CD1 LEU B 12 1.185 5.703 -2.992 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.626 4.758 -0.686 1.00 0.00 C ATOM 0 H LEU B 12 -0.054 9.923 -1.488 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.893 7.305 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.497 7.557 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.274 6.974 0.121 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.326 5.163 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.269 4.697 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.492 6.287 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.165 6.181 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.706 3.762 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.611 5.225 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.239 4.679 0.330 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.799 7.405 -0.941 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.991 7.508 -0.101 1.00 0.00 C ATOM 1084 C LYS B 13 -4.639 6.132 -0.037 1.00 0.00 C ATOM 1085 O LYS B 13 -4.599 5.390 -1.017 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.014 8.533 -0.618 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.504 9.964 -0.413 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.679 10.932 -0.621 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.218 12.375 -0.444 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.727 12.564 0.953 1.00 0.00 N ATOM 0 H LYS B 13 -2.856 6.678 -1.654 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.679 7.857 0.883 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.206 8.359 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.962 8.402 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.090 10.079 0.589 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.701 10.185 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.097 10.797 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.473 10.708 0.091 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.425 12.606 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.040 13.060 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.225 13.365 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.908 11.701 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.705 12.758 0.939 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.247 5.777 1.090 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.893 4.466 1.186 1.00 0.00 C ATOM 1106 C GLY B 14 -5.926 3.947 2.617 1.00 0.00 C ATOM 1107 O GLY B 14 -5.674 4.685 3.570 1.00 0.00 O ATOM 0 H GLY B 14 -5.308 6.356 1.928 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.911 4.535 0.802 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.362 3.754 0.555 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.263 2.663 2.761 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.347 2.044 4.082 1.00 0.00 C ATOM 1113 C GLU B 15 -5.912 0.572 4.047 1.00 0.00 C ATOM 1114 O GLU B 15 -6.545 -0.254 3.388 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.794 2.074 4.583 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.302 3.506 4.769 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.807 3.459 5.004 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.222 3.218 6.160 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.565 3.581 4.018 1.00 0.00 O ATOM 0 H GLU B 15 -6.480 2.038 1.985 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.685 2.609 4.739 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.435 1.550 3.874 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.862 1.538 5.530 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.801 3.979 5.614 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.075 4.106 3.888 1.00 0.00 H new ATOM 1126 N THR B 16 -4.848 0.243 4.784 1.00 0.00 N ATOM 1127 CA THR B 16 -4.364 -1.148 4.867 1.00 0.00 C ATOM 1128 C THR B 16 -4.712 -1.655 6.258 1.00 0.00 C ATOM 1129 O THR B 16 -5.092 -0.850 7.111 1.00 0.00 O ATOM 1130 CB THR B 16 -2.858 -1.245 4.563 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.094 -0.899 5.705 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.517 -0.301 3.406 1.00 0.00 C ATOM 0 H THR B 16 -4.305 0.912 5.330 1.00 0.00 H new ATOM 0 HA THR B 16 -4.845 -1.772 4.113 1.00 0.00 H new ATOM 0 HB THR B 16 -2.617 -2.272 4.287 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.140 -0.968 5.493 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.451 -0.365 3.186 1.00 0.00 H new ATOM 0 HG22 THR B 16 -3.088 -0.587 2.523 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.769 0.722 3.685 1.00 0.00 H new ATOM 1140 N THR B 17 -4.619 -2.957 6.530 1.00 0.00 N ATOM 1141 CA THR B 17 -4.972 -3.457 7.853 1.00 0.00 C ATOM 1142 C THR B 17 -4.100 -4.667 8.188 1.00 0.00 C ATOM 1143 O THR B 17 -3.970 -5.580 7.375 1.00 0.00 O ATOM 1144 CB THR B 17 -6.452 -3.880 7.849 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.216 -2.921 7.132 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.978 -3.984 9.279 1.00 0.00 C ATOM 0 H THR B 17 -4.309 -3.668 5.867 1.00 0.00 H new ATOM 0 HA THR B 17 -4.812 -2.677 8.598 1.00 0.00 H new ATOM 0 HB THR B 17 -6.540 -4.855 7.369 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.158 -3.190 7.128 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.026 -4.284 9.260 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.398 -4.726 9.827 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.886 -3.016 9.772 1.00 0.00 H new ATOM 1154 N THR B 18 -3.516 -4.677 9.381 1.00 0.00 N ATOM 1155 CA THR B 18 -2.669 -5.801 9.809 1.00 0.00 C ATOM 1156 C THR B 18 -3.197 -6.338 11.116 1.00 0.00 C ATOM 1157 O THR B 18 -4.016 -5.696 11.773 1.00 0.00 O ATOM 1158 CB THR B 18 -1.174 -5.394 9.937 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.376 -6.497 9.521 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.782 -5.037 11.392 1.00 0.00 C ATOM 0 H THR B 18 -3.608 -3.930 10.069 1.00 0.00 H new ATOM 0 HA THR B 18 -2.711 -6.578 9.046 1.00 0.00 H new ATOM 0 HB THR B 18 -1.012 -4.511 9.318 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.572 -6.260 9.593 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.272 -4.760 11.427 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.389 -4.200 11.738 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.952 -5.899 12.037 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.691 -7.486 11.532 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.068 -8.063 12.799 1.00 0.00 C ATOM 1170 C GLU B 19 -1.781 -8.445 13.474 1.00 0.00 C ATOM 1171 O GLU B 19 -1.010 -9.239 12.943 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.958 -9.299 12.630 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.311 -9.837 14.017 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.297 -10.989 13.907 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.835 -12.115 13.616 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.515 -10.778 14.097 1.00 0.00 O ATOM 0 H GLU B 19 -2.014 -8.036 11.003 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.649 -7.349 13.382 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.864 -9.041 12.082 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.440 -10.062 12.048 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.406 -10.172 14.524 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.740 -9.040 14.624 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.532 -7.869 14.626 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.300 -8.140 15.353 1.00 0.00 C ATOM 1185 C ALA B 20 -0.644 -8.843 16.639 1.00 0.00 C ATOM 1186 O ALA B 20 -1.813 -8.900 17.012 1.00 0.00 O ATOM 1187 CB ALA B 20 0.409 -6.799 15.639 1.00 0.00 C ATOM 0 H ALA B 20 -2.161 -7.210 15.085 1.00 0.00 H new ATOM 0 HA ALA B 20 0.365 -8.776 14.769 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.335 -6.986 16.184 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.637 -6.300 14.697 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.243 -6.163 16.238 1.00 0.00 H new ATOM 1193 N VAL B 21 0.362 -9.341 17.346 1.00 0.00 N ATOM 1194 CA VAL B 21 0.074 -9.982 18.605 1.00 0.00 C ATOM 1195 C VAL B 21 -0.685 -8.967 19.439 1.00 0.00 C ATOM 1196 O VAL B 21 -1.695 -9.301 20.052 1.00 0.00 O ATOM 1197 CB VAL B 21 1.356 -10.465 19.300 1.00 0.00 C ATOM 1198 CG1 VAL B 21 2.452 -9.408 19.148 1.00 0.00 C ATOM 1199 CG2 VAL B 21 1.080 -10.734 20.788 1.00 0.00 C ATOM 0 H VAL B 21 1.345 -9.313 17.077 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.526 -10.880 18.460 1.00 0.00 H new ATOM 0 HB VAL B 21 1.689 -11.393 18.835 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.361 -9.752 19.642 1.00 0.00 H new ATOM 0 HG12 VAL B 21 2.654 -9.243 18.090 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.123 -8.474 19.604 1.00 0.00 H new ATOM 0 HG21 VAL B 21 1.995 -11.076 21.272 1.00 0.00 H new ATOM 0 HG22 VAL B 21 0.738 -9.816 21.266 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.311 -11.501 20.883 1.00 0.00 H new ATOM 1209 N ASP B 22 -0.241 -7.705 19.409 1.00 0.00 N ATOM 1210 CA ASP B 22 -0.943 -6.665 20.120 1.00 0.00 C ATOM 1211 C ASP B 22 -0.401 -5.278 19.749 1.00 0.00 C ATOM 1212 O ASP B 22 -0.196 -4.954 18.563 1.00 0.00 O ATOM 1213 CB ASP B 22 -0.876 -6.871 21.633 1.00 0.00 C ATOM 1214 CG ASP B 22 -1.822 -5.886 22.324 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -3.042 -5.906 22.035 1.00 0.00 O ATOM 1216 OD2 ASP B 22 -1.318 -5.024 23.082 1.00 0.00 O ATOM 0 H ASP B 22 0.590 -7.396 18.904 1.00 0.00 H new ATOM 0 HA ASP B 22 -1.989 -6.722 19.818 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -1.153 -7.895 21.884 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.144 -6.721 21.986 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.170 -4.477 20.781 1.00 0.00 N ATOM 1222 CA ALA B 23 0.325 -3.126 20.588 1.00 0.00 C ATOM 1223 C ALA B 23 1.791 -3.093 20.181 1.00 0.00 C ATOM 1224 O ALA B 23 2.152 -2.404 19.267 1.00 0.00 O ATOM 1225 CB ALA B 23 0.132 -2.301 21.870 1.00 0.00 C ATOM 0 H ALA B 23 -0.318 -4.740 21.755 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.254 -2.692 19.773 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.507 -1.290 21.712 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -0.928 -2.260 22.120 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.680 -2.767 22.689 1.00 0.00 H new ATOM 1231 N ALA B 24 2.627 -3.796 20.904 1.00 0.00 N ATOM 1232 CA ALA B 24 4.068 -3.768 20.657 1.00 0.00 C ATOM 1233 C ALA B 24 4.447 -4.143 19.241 1.00 0.00 C ATOM 1234 O ALA B 24 5.395 -3.601 18.688 1.00 0.00 O ATOM 1235 CB ALA B 24 4.793 -4.717 21.621 1.00 0.00 C ATOM 0 H ALA B 24 2.344 -4.401 21.675 1.00 0.00 H new ATOM 0 HA ALA B 24 4.374 -2.735 20.819 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.865 -4.686 21.425 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.603 -4.407 22.649 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.427 -5.733 21.475 1.00 0.00 H new ATOM 1241 N THR B 25 3.719 -5.068 18.664 1.00 0.00 N ATOM 1242 CA THR B 25 4.011 -5.525 17.311 1.00 0.00 C ATOM 1243 C THR B 25 3.366 -4.645 16.237 1.00 0.00 C ATOM 1244 O THR B 25 4.024 -4.276 15.260 1.00 0.00 O ATOM 1245 CB THR B 25 3.570 -6.979 17.205 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.237 -7.692 18.233 1.00 0.00 O ATOM 1247 CG2 THR B 25 3.937 -7.598 15.844 1.00 0.00 C ATOM 0 H THR B 25 2.919 -5.524 19.103 1.00 0.00 H new ATOM 0 HA THR B 25 5.082 -5.447 17.126 1.00 0.00 H new ATOM 0 HB THR B 25 2.486 -7.033 17.302 1.00 0.00 H new ATOM 0 HG1 THR B 25 4.662 -8.490 17.855 1.00 0.00 H new ATOM 0 HG21 THR B 25 3.603 -8.635 15.814 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.450 -7.037 15.046 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.018 -7.561 15.707 1.00 0.00 H new ATOM 1255 N ALA B 26 2.085 -4.344 16.365 1.00 0.00 N ATOM 1256 CA ALA B 26 1.436 -3.548 15.324 1.00 0.00 C ATOM 1257 C ALA B 26 2.148 -2.205 15.073 1.00 0.00 C ATOM 1258 O ALA B 26 2.354 -1.822 13.933 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.030 -3.324 15.704 1.00 0.00 C ATOM 0 H ALA B 26 1.489 -4.623 17.144 1.00 0.00 H new ATOM 0 HA ALA B 26 1.497 -4.104 14.388 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.520 -2.731 14.932 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.533 -4.287 15.796 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.082 -2.795 16.655 1.00 0.00 H new ATOM 1265 N GLU B 27 2.629 -1.558 16.120 1.00 0.00 N ATOM 1266 CA GLU B 27 3.394 -0.318 15.893 1.00 0.00 C ATOM 1267 C GLU B 27 4.738 -0.696 15.295 1.00 0.00 C ATOM 1268 O GLU B 27 5.255 -0.011 14.405 1.00 0.00 O ATOM 1269 CB GLU B 27 3.602 0.586 17.144 1.00 0.00 C ATOM 1270 CG GLU B 27 3.076 -0.059 18.399 1.00 0.00 C ATOM 1271 CD GLU B 27 1.541 -0.027 18.410 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.996 1.034 18.784 1.00 0.00 O ATOM 1273 OE2 GLU B 27 0.899 -1.036 18.046 1.00 0.00 O ATOM 0 H GLU B 27 2.519 -1.841 17.094 1.00 0.00 H new ATOM 0 HA GLU B 27 2.795 0.293 15.217 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.664 0.800 17.264 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.100 1.541 16.989 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.426 -1.090 18.461 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.464 0.462 19.274 1.00 0.00 H new ATOM 1280 N LYS B 28 5.302 -1.808 15.773 1.00 0.00 N ATOM 1281 CA LYS B 28 6.600 -2.237 15.250 1.00 0.00 C ATOM 1282 C LYS B 28 6.561 -2.409 13.741 1.00 0.00 C ATOM 1283 O LYS B 28 7.464 -1.955 13.036 1.00 0.00 O ATOM 1284 CB LYS B 28 7.015 -3.576 15.871 1.00 0.00 C ATOM 1285 CG LYS B 28 8.524 -3.815 15.679 1.00 0.00 C ATOM 1286 CD LYS B 28 8.834 -5.323 15.773 1.00 0.00 C ATOM 1287 CE LYS B 28 8.685 -5.977 14.392 1.00 0.00 C ATOM 1288 NZ LYS B 28 8.864 -7.450 14.522 1.00 0.00 N ATOM 0 H LYS B 28 4.899 -2.407 16.493 1.00 0.00 H new ATOM 0 HA LYS B 28 7.319 -1.460 15.509 1.00 0.00 H new ATOM 0 HB2 LYS B 28 6.772 -3.582 16.934 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.451 -4.387 15.411 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.841 -3.430 14.710 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.086 -3.271 16.438 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.847 -5.472 16.148 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.158 -5.798 16.484 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.703 -5.754 13.976 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.424 -5.569 13.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.764 -7.896 13.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.811 -7.652 14.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.143 -7.832 15.167 1.00 0.00 H new ATOM 1302 N VAL B 29 5.548 -3.110 13.237 1.00 0.00 N ATOM 1303 CA VAL B 29 5.482 -3.371 11.806 1.00 0.00 C ATOM 1304 C VAL B 29 5.133 -2.130 10.973 1.00 0.00 C ATOM 1305 O VAL B 29 5.893 -1.776 10.075 1.00 0.00 O ATOM 1306 CB VAL B 29 4.512 -4.550 11.553 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.086 -4.090 11.232 1.00 0.00 C ATOM 1308 CG2 VAL B 29 5.018 -5.419 10.398 1.00 0.00 C ATOM 0 H VAL B 29 4.780 -3.498 13.785 1.00 0.00 H new ATOM 0 HA VAL B 29 6.479 -3.650 11.465 1.00 0.00 H new ATOM 0 HB VAL B 29 4.481 -5.123 12.480 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.452 -4.961 11.064 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.694 -3.511 12.068 1.00 0.00 H new ATOM 0 HG13 VAL B 29 3.097 -3.471 10.335 1.00 0.00 H new ATOM 0 HG21 VAL B 29 4.325 -6.244 10.233 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.088 -4.816 9.493 1.00 0.00 H new ATOM 0 HG23 VAL B 29 6.002 -5.816 10.646 1.00 0.00 H new ATOM 1318 N PHE B 30 3.988 -1.494 11.208 1.00 0.00 N ATOM 1319 CA PHE B 30 3.636 -0.358 10.360 1.00 0.00 C ATOM 1320 C PHE B 30 4.755 0.710 10.345 1.00 0.00 C ATOM 1321 O PHE B 30 4.980 1.347 9.307 1.00 0.00 O ATOM 1322 CB PHE B 30 2.301 0.315 10.731 1.00 0.00 C ATOM 1323 CG PHE B 30 1.090 -0.586 10.600 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.510 -0.893 9.351 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.520 -1.113 11.776 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.624 -1.723 9.280 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.618 -1.937 11.704 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.195 -2.233 10.456 1.00 0.00 C ATOM 0 H PHE B 30 3.318 -1.729 11.940 1.00 0.00 H new ATOM 0 HA PHE B 30 3.516 -0.787 9.365 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.362 0.675 11.758 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.159 1.189 10.095 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.938 -0.489 8.446 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.958 -0.884 12.736 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.055 -1.968 8.320 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.049 -2.342 12.608 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.078 -2.853 10.403 1.00 0.00 H new ATOM 1338 N LYS B 31 5.478 0.916 11.465 1.00 0.00 N ATOM 1339 CA LYS B 31 6.562 1.916 11.450 1.00 0.00 C ATOM 1340 C LYS B 31 7.596 1.493 10.449 1.00 0.00 C ATOM 1341 O LYS B 31 8.185 2.307 9.740 1.00 0.00 O ATOM 1342 CB LYS B 31 7.199 2.100 12.834 1.00 0.00 C ATOM 1343 CG LYS B 31 6.189 2.820 13.719 1.00 0.00 C ATOM 1344 CD LYS B 31 6.779 3.129 15.086 1.00 0.00 C ATOM 1345 CE LYS B 31 5.736 3.919 15.877 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.264 4.247 17.230 1.00 0.00 N ATOM 0 H LYS B 31 5.341 0.429 12.351 1.00 0.00 H new ATOM 0 HA LYS B 31 6.138 2.880 11.169 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.464 1.134 13.264 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.120 2.678 12.757 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.875 3.746 13.238 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.298 2.203 13.835 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.037 2.208 15.608 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.698 3.706 14.984 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.482 4.836 15.345 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.818 3.337 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.549 4.784 17.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.485 3.367 17.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.127 4.819 17.136 1.00 0.00 H new ATOM 1360 N GLN B 32 7.814 0.209 10.424 1.00 0.00 N ATOM 1361 CA GLN B 32 8.801 -0.313 9.512 1.00 0.00 C ATOM 1362 C GLN B 32 8.548 0.260 8.099 1.00 0.00 C ATOM 1363 O GLN B 32 9.488 0.609 7.386 1.00 0.00 O ATOM 1364 CB GLN B 32 8.771 -1.848 9.482 1.00 0.00 C ATOM 1365 CG GLN B 32 10.215 -2.421 9.368 1.00 0.00 C ATOM 1366 CD GLN B 32 10.705 -3.064 10.675 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.533 -3.942 10.463 1.00 0.00 O ATOM 1368 NE2 GLN B 32 9.919 -3.119 11.730 1.00 0.00 N ATOM 0 H GLN B 32 7.339 -0.482 11.005 1.00 0.00 H new ATOM 0 HA GLN B 32 9.790 -0.009 9.855 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.294 -2.226 10.386 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.171 -2.189 8.639 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.245 -3.163 8.570 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.898 -1.620 9.084 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.234 -2.381 11.895 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.995 -3.899 12.383 1.00 0.00 H new ATOM 1377 N TYR B 33 7.274 0.314 7.695 1.00 0.00 N ATOM 1378 CA TYR B 33 6.914 0.795 6.353 1.00 0.00 C ATOM 1379 C TYR B 33 6.916 2.332 6.216 1.00 0.00 C ATOM 1380 O TYR B 33 7.546 2.854 5.304 1.00 0.00 O ATOM 1381 CB TYR B 33 5.497 0.304 5.977 1.00 0.00 C ATOM 1382 CG TYR B 33 5.448 -1.206 5.788 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.794 -2.054 6.861 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.986 -1.781 4.584 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.713 -3.453 6.722 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.906 -3.181 4.448 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.276 -4.018 5.515 1.00 0.00 C ATOM 1388 OH TYR B 33 5.203 -5.385 5.378 1.00 0.00 O ATOM 0 H TYR B 33 6.480 0.034 8.271 1.00 0.00 H new ATOM 0 HA TYR B 33 7.680 0.394 5.689 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.794 0.595 6.757 1.00 0.00 H new ATOM 0 HB3 TYR B 33 5.175 0.795 5.059 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.124 -1.627 7.797 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.692 -1.144 3.763 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.988 -4.093 7.547 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.559 -3.613 3.521 1.00 0.00 H new ATOM 0 HH TYR B 33 4.880 -5.607 4.480 1.00 0.00 H new ATOM 1398 N PHE B 34 6.163 3.050 7.075 1.00 0.00 N ATOM 1399 CA PHE B 34 6.058 4.532 6.919 1.00 0.00 C ATOM 1400 C PHE B 34 7.103 5.354 7.663 1.00 0.00 C ATOM 1401 O PHE B 34 6.801 6.436 8.160 1.00 0.00 O ATOM 1402 CB PHE B 34 4.642 5.053 7.248 1.00 0.00 C ATOM 1403 CG PHE B 34 3.674 4.223 6.456 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.516 4.445 5.072 1.00 0.00 C ATOM 1405 CD2 PHE B 34 3.048 3.114 7.058 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.747 3.561 4.295 1.00 0.00 C ATOM 1407 CE2 PHE B 34 2.282 2.229 6.279 1.00 0.00 C ATOM 1408 CZ PHE B 34 2.132 2.452 4.899 1.00 0.00 C ATOM 0 H PHE B 34 5.636 2.657 7.855 1.00 0.00 H new ATOM 0 HA PHE B 34 6.269 4.683 5.860 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.439 4.969 8.316 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.549 6.107 6.988 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.988 5.298 4.607 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.157 2.943 8.119 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.629 3.734 3.236 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.808 1.376 6.742 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.544 1.770 4.303 1.00 0.00 H new ATOM 1418 N ASN B 35 8.341 4.877 7.698 1.00 0.00 N ATOM 1419 CA ASN B 35 9.414 5.609 8.325 1.00 0.00 C ATOM 1420 C ASN B 35 10.189 6.327 7.218 1.00 0.00 C ATOM 1421 O ASN B 35 11.038 7.184 7.468 1.00 0.00 O ATOM 1422 CB ASN B 35 10.261 4.573 9.107 1.00 0.00 C ATOM 1423 CG ASN B 35 11.765 4.851 9.077 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.243 5.558 8.197 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.436 4.578 10.175 1.00 0.00 N ATOM 0 H ASN B 35 8.619 3.982 7.295 1.00 0.00 H new ATOM 0 HA ASN B 35 9.081 6.371 9.030 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.926 4.553 10.144 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.077 3.581 8.693 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.374 4.957 10.307 1.00 0.00 H new ATOM 0 HD22 ASN B 35 12.019 3.987 10.894 1.00 0.00 H new ATOM 1432 N ASP B 36 9.871 5.968 5.985 1.00 0.00 N ATOM 1433 CA ASP B 36 10.520 6.540 4.825 1.00 0.00 C ATOM 1434 C ASP B 36 9.486 6.471 3.677 1.00 0.00 C ATOM 1435 O ASP B 36 8.591 7.264 3.702 1.00 0.00 O ATOM 1436 CB ASP B 36 11.877 5.790 4.643 1.00 0.00 C ATOM 1437 CG ASP B 36 12.756 6.492 3.629 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.474 6.364 2.416 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.384 7.479 4.081 1.00 0.00 O ATOM 0 H ASP B 36 9.157 5.274 5.764 1.00 0.00 H new ATOM 0 HA ASP B 36 10.803 7.591 4.890 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.395 5.732 5.600 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.690 4.766 4.320 1.00 0.00 H new ATOM 1444 N ASN B 37 9.640 5.751 2.600 1.00 0.00 N ATOM 1445 CA ASN B 37 8.689 5.834 1.450 1.00 0.00 C ATOM 1446 C ASN B 37 8.385 7.282 1.099 1.00 0.00 C ATOM 1447 O ASN B 37 7.326 7.593 0.566 1.00 0.00 O ATOM 1448 CB ASN B 37 7.351 5.037 1.622 1.00 0.00 C ATOM 1449 CG ASN B 37 7.390 4.190 2.854 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.330 3.403 2.851 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.340 3.983 3.618 1.00 0.00 N ATOM 0 H ASN B 37 10.405 5.091 2.464 1.00 0.00 H new ATOM 0 HA ASN B 37 9.216 5.344 0.631 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.514 5.732 1.680 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.183 4.408 0.748 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.300 3.159 4.218 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.565 4.646 3.610 1.00 0.00 H new ATOM 1458 N GLY B 38 9.332 8.150 1.401 1.00 0.00 N ATOM 1459 CA GLY B 38 9.187 9.578 1.123 1.00 0.00 C ATOM 1460 C GLY B 38 8.047 10.190 1.937 1.00 0.00 C ATOM 1461 O GLY B 38 8.135 11.327 2.401 1.00 0.00 O ATOM 0 H GLY B 38 10.216 7.896 1.841 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.119 10.092 1.356 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.998 9.726 0.060 1.00 0.00 H new ATOM 1465 N VAL B 39 6.983 9.415 2.101 1.00 0.00 N ATOM 1466 CA VAL B 39 5.819 9.837 2.847 1.00 0.00 C ATOM 1467 C VAL B 39 6.175 10.107 4.309 1.00 0.00 C ATOM 1468 O VAL B 39 5.804 11.154 4.840 1.00 0.00 O ATOM 1469 CB VAL B 39 4.766 8.728 2.747 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.624 8.990 3.727 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.223 8.675 1.313 1.00 0.00 C ATOM 0 H VAL B 39 6.909 8.473 1.716 1.00 0.00 H new ATOM 0 HA VAL B 39 5.430 10.767 2.431 1.00 0.00 H new ATOM 0 HB VAL B 39 5.226 7.773 3.000 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.884 8.194 3.644 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.016 9.017 4.744 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.156 9.946 3.493 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.473 7.887 1.237 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.769 9.633 1.060 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.040 8.467 0.622 1.00 0.00 H new ATOM 1481 N ASP B 40 6.900 9.160 4.929 1.00 0.00 N ATOM 1482 CA ASP B 40 7.335 9.277 6.338 1.00 0.00 C ATOM 1483 C ASP B 40 6.394 10.173 7.152 1.00 0.00 C ATOM 1484 O ASP B 40 6.839 10.939 8.008 1.00 0.00 O ATOM 1485 CB ASP B 40 8.759 9.860 6.393 1.00 0.00 C ATOM 1486 CG ASP B 40 8.759 11.365 6.071 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.659 11.949 5.916 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.855 11.970 5.961 1.00 0.00 O ATOM 0 H ASP B 40 7.201 8.297 4.475 1.00 0.00 H new ATOM 0 HA ASP B 40 7.316 8.278 6.774 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.183 9.698 7.384 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.397 9.334 5.683 1.00 0.00 H new ATOM 1493 N GLY B 41 5.111 10.120 6.834 1.00 0.00 N ATOM 1494 CA GLY B 41 4.127 10.976 7.486 1.00 0.00 C ATOM 1495 C GLY B 41 4.255 10.982 9.003 1.00 0.00 C ATOM 1496 O GLY B 41 4.839 10.070 9.576 1.00 0.00 O ATOM 0 H GLY B 41 4.724 9.494 6.128 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.236 11.995 7.114 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.126 10.643 7.213 1.00 0.00 H new ATOM 1500 N GLU B 42 3.693 12.016 9.657 1.00 0.00 N ATOM 1501 CA GLU B 42 3.760 12.084 11.115 1.00 0.00 C ATOM 1502 C GLU B 42 2.855 11.029 11.727 1.00 0.00 C ATOM 1503 O GLU B 42 1.747 10.764 11.256 1.00 0.00 O ATOM 1504 CB GLU B 42 3.415 13.473 11.669 1.00 0.00 C ATOM 1505 CG GLU B 42 2.005 13.918 11.241 1.00 0.00 C ATOM 1506 CD GLU B 42 2.106 14.839 10.023 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.102 14.701 9.277 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.250 15.735 9.863 1.00 0.00 O ATOM 0 H GLU B 42 3.203 12.790 9.209 1.00 0.00 H new ATOM 0 HA GLU B 42 4.795 11.888 11.394 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.478 13.458 12.757 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.149 14.198 11.318 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.395 13.047 11.002 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.511 14.437 12.062 1.00 0.00 H new ATOM 1515 N TRP B 43 3.421 10.345 12.690 1.00 0.00 N ATOM 1516 CA TRP B 43 2.774 9.199 13.300 1.00 0.00 C ATOM 1517 C TRP B 43 1.670 9.480 14.283 1.00 0.00 C ATOM 1518 O TRP B 43 1.716 10.399 15.099 1.00 0.00 O ATOM 1519 CB TRP B 43 3.849 8.288 13.917 1.00 0.00 C ATOM 1520 CG TRP B 43 4.120 7.330 12.892 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.584 7.648 11.661 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.882 5.886 12.860 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.626 6.519 10.869 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.189 5.406 11.550 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.425 4.932 13.800 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.039 4.059 11.186 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.274 3.577 13.445 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.571 3.144 12.141 1.00 0.00 C ATOM 0 H TRP B 43 4.340 10.562 13.076 1.00 0.00 H new ATOM 0 HA TRP B 43 2.245 8.705 12.485 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.744 8.851 14.184 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.491 7.808 14.828 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.878 8.638 11.346 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.942 6.510 9.899 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.188 5.248 14.805 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.280 3.732 10.186 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.928 2.866 14.180 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.439 2.106 11.874 1.00 0.00 H new ATOM 1539 N THR B 44 0.728 8.530 14.245 1.00 0.00 N ATOM 1540 CA THR B 44 -0.382 8.475 15.179 1.00 0.00 C ATOM 1541 C THR B 44 -0.690 6.995 15.431 1.00 0.00 C ATOM 1542 O THR B 44 -0.486 6.154 14.553 1.00 0.00 O ATOM 1543 CB THR B 44 -1.629 9.200 14.648 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.242 10.146 13.662 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.337 9.929 15.793 1.00 0.00 C ATOM 0 H THR B 44 0.723 7.777 13.557 1.00 0.00 H new ATOM 0 HA THR B 44 -0.105 8.985 16.101 1.00 0.00 H new ATOM 0 HB THR B 44 -2.308 8.467 14.212 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.007 10.716 13.437 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.220 10.440 15.408 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.638 9.208 16.553 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.658 10.659 16.234 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.238 6.693 16.591 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.628 5.317 16.889 1.00 0.00 C ATOM 1555 C TYR B 45 -2.733 5.273 17.916 1.00 0.00 C ATOM 1556 O TYR B 45 -2.816 6.125 18.799 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.403 4.472 17.262 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.781 3.264 18.104 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.301 2.101 17.501 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.612 3.300 19.500 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.652 0.991 18.295 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.958 2.191 20.290 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.478 1.035 19.687 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.794 -0.066 20.455 1.00 0.00 O ATOM 0 H TYR B 45 -1.424 7.365 17.336 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.045 4.864 15.989 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.098 4.138 16.353 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.309 5.088 17.811 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.431 2.061 16.430 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -0.213 4.188 19.968 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.056 0.104 17.831 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -0.824 2.228 21.361 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.176 -0.765 19.884 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.539 4.222 17.836 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.606 3.985 18.795 1.00 0.00 C ATOM 1576 C ASP B 46 -4.511 2.524 19.261 1.00 0.00 C ATOM 1577 O ASP B 46 -4.239 1.631 18.454 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.966 4.364 18.147 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.725 3.157 17.584 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -6.259 2.003 17.769 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.792 3.352 16.953 1.00 0.00 O ATOM 0 H ASP B 46 -3.471 3.513 17.106 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.514 4.610 19.683 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.589 4.862 18.890 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.791 5.081 17.345 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.717 2.269 20.534 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.666 0.891 21.031 1.00 0.00 C ATOM 1588 C ASP B 47 -6.049 0.234 21.040 1.00 0.00 C ATOM 1589 O ASP B 47 -6.261 -0.860 20.513 1.00 0.00 O ATOM 1590 CB ASP B 47 -4.109 0.898 22.450 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.661 -0.494 22.888 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.812 -1.478 22.127 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -3.145 -0.601 24.024 1.00 0.00 O ATOM 0 H ASP B 47 -4.919 2.976 21.241 1.00 0.00 H new ATOM 0 HA ASP B 47 -4.026 0.315 20.363 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -3.266 1.586 22.506 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.869 1.269 23.137 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.941 0.913 21.742 1.00 0.00 N ATOM 1599 CA ALA B 48 -8.319 0.441 21.992 1.00 0.00 C ATOM 1600 C ALA B 48 -9.293 0.695 20.857 1.00 0.00 C ATOM 1601 O ALA B 48 -10.441 0.258 20.916 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.856 1.105 23.256 1.00 0.00 C ATOM 0 H ALA B 48 -6.740 1.819 22.165 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.247 -0.642 22.096 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.873 0.760 23.445 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.221 0.843 24.102 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.859 2.187 23.125 1.00 0.00 H new ATOM 1608 N THR B 49 -8.838 1.377 19.832 1.00 0.00 N ATOM 1609 CA THR B 49 -9.688 1.663 18.677 1.00 0.00 C ATOM 1610 C THR B 49 -8.984 1.151 17.450 1.00 0.00 C ATOM 1611 O THR B 49 -9.357 1.463 16.319 1.00 0.00 O ATOM 1612 CB THR B 49 -10.069 3.163 18.552 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.998 3.561 17.192 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.150 4.067 19.401 1.00 0.00 C ATOM 0 H THR B 49 -7.890 1.747 19.765 1.00 0.00 H new ATOM 0 HA THR B 49 -10.643 1.152 18.803 1.00 0.00 H new ATOM 0 HB THR B 49 -11.086 3.277 18.927 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.083 3.841 16.980 1.00 0.00 H new ATOM 0 HG21 THR B 49 -9.453 5.107 19.283 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.229 3.783 20.450 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.118 3.950 19.070 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.967 0.316 17.698 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.203 -0.308 16.638 1.00 0.00 C ATOM 1624 C LYS B 50 -7.068 0.636 15.461 1.00 0.00 C ATOM 1625 O LYS B 50 -7.837 0.580 14.501 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.853 -1.654 16.224 1.00 0.00 C ATOM 1627 CG LYS B 50 -9.350 -1.750 16.622 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.515 -1.981 18.152 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.786 -2.798 18.439 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.984 -1.958 18.140 1.00 0.00 N ATOM 0 H LYS B 50 -7.661 0.062 18.637 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.199 -0.526 17.003 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.760 -1.780 15.145 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.306 -2.474 16.689 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.865 -0.834 16.333 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.822 -2.567 16.076 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.643 -2.505 18.543 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.568 -1.022 18.667 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.798 -3.701 17.829 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.801 -3.117 19.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.846 -2.480 18.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.936 -1.077 18.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -12.005 -1.732 17.125 1.00 0.00 H new ATOM 1644 N THR B 51 -6.045 1.470 15.527 1.00 0.00 N ATOM 1645 CA THR B 51 -5.784 2.390 14.426 1.00 0.00 C ATOM 1646 C THR B 51 -4.343 2.881 14.367 1.00 0.00 C ATOM 1647 O THR B 51 -3.637 2.973 15.374 1.00 0.00 O ATOM 1648 CB THR B 51 -6.756 3.575 14.453 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.072 3.088 14.682 1.00 0.00 O ATOM 1650 CG2 THR B 51 -6.732 4.308 13.103 1.00 0.00 C ATOM 0 H THR B 51 -5.394 1.532 16.310 1.00 0.00 H new ATOM 0 HA THR B 51 -5.949 1.814 13.516 1.00 0.00 H new ATOM 0 HB THR B 51 -6.459 4.263 15.245 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.170 2.841 15.625 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.426 5.148 13.133 1.00 0.00 H new ATOM 0 HG22 THR B 51 -5.725 4.676 12.907 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.028 3.621 12.310 1.00 0.00 H new ATOM 1658 N PHE B 52 -3.982 3.276 13.164 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.697 3.873 12.852 1.00 0.00 C ATOM 1660 C PHE B 52 -2.997 5.032 11.923 1.00 0.00 C ATOM 1661 O PHE B 52 -3.948 4.952 11.139 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.737 2.878 12.195 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.068 2.031 13.240 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.010 2.572 13.999 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.496 0.712 13.475 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.631 1.789 14.974 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.852 -0.072 14.446 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.219 0.463 15.186 1.00 0.00 C ATOM 0 H PHE B 52 -4.592 3.189 12.351 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.195 4.200 13.762 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.282 2.243 11.497 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.985 3.415 11.617 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.308 3.590 13.831 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.320 0.302 12.909 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.438 2.205 15.559 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.179 -1.086 14.625 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.725 -0.148 15.919 1.00 0.00 H new ATOM 1678 N THR B 53 -2.191 6.086 11.957 1.00 0.00 N ATOM 1679 CA THR B 53 -2.440 7.210 11.039 1.00 0.00 C ATOM 1680 C THR B 53 -1.160 7.803 10.462 1.00 0.00 C ATOM 1681 O THR B 53 -0.381 8.465 11.145 1.00 0.00 O ATOM 1682 CB THR B 53 -3.248 8.323 11.741 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.061 7.753 12.757 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.144 9.072 10.742 1.00 0.00 C ATOM 0 H THR B 53 -1.390 6.194 12.579 1.00 0.00 H new ATOM 0 HA THR B 53 -3.016 6.799 10.210 1.00 0.00 H new ATOM 0 HB THR B 53 -2.543 9.031 12.176 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.572 8.461 13.203 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.701 9.850 11.265 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.525 9.527 9.968 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.842 8.372 10.283 1.00 0.00 H new ATOM 1692 N VAL B 54 -0.997 7.557 9.182 1.00 0.00 N ATOM 1693 CA VAL B 54 0.143 8.061 8.433 1.00 0.00 C ATOM 1694 C VAL B 54 -0.268 9.396 7.808 1.00 0.00 C ATOM 1695 O VAL B 54 -1.339 9.490 7.198 1.00 0.00 O ATOM 1696 CB VAL B 54 0.555 7.062 7.344 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.642 7.677 6.453 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.094 5.788 8.004 1.00 0.00 C ATOM 0 H VAL B 54 -1.648 7.002 8.626 1.00 0.00 H new ATOM 0 HA VAL B 54 1.000 8.198 9.092 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.313 6.820 6.730 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.929 6.961 5.683 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.258 8.582 5.983 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.513 7.925 7.060 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.388 5.075 7.233 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.959 6.035 8.619 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.318 5.346 8.630 1.00 0.00 H new ATOM 1708 N THR B 55 0.598 10.413 7.920 1.00 0.00 N ATOM 1709 CA THR B 55 0.279 11.717 7.305 1.00 0.00 C ATOM 1710 C THR B 55 1.468 12.426 6.654 1.00 0.00 C ATOM 1711 O THR B 55 2.287 13.057 7.319 1.00 0.00 O ATOM 1712 CB THR B 55 -0.370 12.616 8.363 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.694 12.164 8.610 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.414 14.075 7.894 1.00 0.00 C ATOM 0 H THR B 55 1.492 10.368 8.410 1.00 0.00 H new ATOM 0 HA THR B 55 -0.408 11.516 6.483 1.00 0.00 H new ATOM 0 HB THR B 55 0.225 12.564 9.275 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.871 11.362 8.075 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.879 14.691 8.664 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.600 14.429 7.710 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.994 14.144 6.974 1.00 0.00 H new ATOM 1722 N GLU B 56 1.513 12.277 5.338 1.00 0.00 N ATOM 1723 CA GLU B 56 2.576 12.868 4.518 1.00 0.00 C ATOM 1724 C GLU B 56 3.001 14.215 5.106 1.00 0.00 C ATOM 1725 O GLU B 56 2.127 15.024 5.371 1.00 0.00 O ATOM 1726 CB GLU B 56 2.102 13.056 3.082 1.00 0.00 C ATOM 1727 CG GLU B 56 3.285 13.366 2.165 1.00 0.00 C ATOM 1728 CD GLU B 56 3.910 14.711 2.523 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.158 15.671 2.797 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.157 14.782 2.593 1.00 0.00 O ATOM 1731 OXT GLU B 56 4.190 14.411 5.288 1.00 0.00 O ATOM 0 H GLU B 56 0.822 11.748 4.806 1.00 0.00 H new ATOM 0 HA GLU B 56 3.430 12.191 4.517 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.595 12.154 2.739 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.376 13.867 3.036 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.033 12.578 2.250 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.953 13.379 1.127 1.00 0.00 H new TER 1738 GLU B 56