USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= -0.0189 (180deg=-1.04) USER MOD Single : A 7 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -31:sc= 0.585 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.215 K(o=-0.22,f=-2.1!) USER MOD Single : A 24 GLN : amide:sc= -0.0575 K(o=-0.058,f=-3!) USER MOD Single : A 25 GLN : amide:sc= -3.16! X(o=-3.2!,f=-3.3) USER MOD Single : A 28 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.9!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.322 USER MOD Single : A 37 MET CE :methyl -110:sc= -0.183 (180deg=-1.01) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -114:sc= -1.71 (180deg=-5.92!) USER MOD Single : A 46 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 15:sc= -1.73 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -3.39 K(o=-3.4,f=-11!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.65 F(o=-0.94,f=0.65) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00134 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.719 -12.397 -10.151 1.00 0.00 N ATOM 31 CA LEU A 3 -10.270 -12.439 -8.764 1.00 0.00 C ATOM 32 C LEU A 3 -11.064 -13.469 -7.965 1.00 0.00 C ATOM 33 O LEU A 3 -12.235 -13.721 -8.248 1.00 0.00 O ATOM 34 CB LEU A 3 -10.406 -11.058 -8.117 1.00 0.00 C ATOM 35 CG LEU A 3 -9.182 -10.153 -8.263 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.604 -8.694 -8.339 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.219 -10.372 -7.106 1.00 0.00 C ATOM 0 HA LEU A 3 -9.220 -12.732 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.267 -10.552 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.617 -11.190 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.670 -10.410 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.720 -8.065 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.256 -8.548 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.138 -8.422 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.353 -9.720 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.721 -10.141 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.892 -11.412 -7.097 1.00 0.00 H new ATOM 49 N LEU A 4 -10.417 -14.060 -6.966 1.00 0.00 N ATOM 50 CA LEU A 4 -11.062 -15.062 -6.126 1.00 0.00 C ATOM 51 C LEU A 4 -11.645 -14.425 -4.869 1.00 0.00 C ATOM 52 O LEU A 4 -11.272 -13.313 -4.494 1.00 0.00 O ATOM 53 CB LEU A 4 -10.063 -16.155 -5.741 1.00 0.00 C ATOM 54 CG LEU A 4 -10.654 -17.561 -5.621 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.621 -18.270 -6.966 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.903 -18.366 -4.572 1.00 0.00 C ATOM 0 H LEU A 4 -9.447 -13.863 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.876 -15.508 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.266 -16.175 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.605 -15.888 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.694 -17.473 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.045 -19.269 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.204 -17.702 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.590 -18.348 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.337 -19.363 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.854 -18.446 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.979 -17.866 -3.606 1.00 0.00 H new ATOM 68 N LYS A 5 -12.562 -15.136 -4.221 1.00 0.00 N ATOM 69 CA LYS A 5 -13.196 -14.640 -3.005 1.00 0.00 C ATOM 70 C LYS A 5 -12.159 -14.383 -1.917 1.00 0.00 C ATOM 71 O LYS A 5 -12.134 -13.312 -1.311 1.00 0.00 O ATOM 72 CB LYS A 5 -14.240 -15.641 -2.505 1.00 0.00 C ATOM 73 CG LYS A 5 -15.336 -15.006 -1.664 1.00 0.00 C ATOM 74 CD LYS A 5 -16.566 -14.692 -2.499 1.00 0.00 C ATOM 75 CE LYS A 5 -16.598 -13.231 -2.917 1.00 0.00 C ATOM 76 NZ LYS A 5 -16.060 -13.034 -4.291 1.00 0.00 N ATOM 0 H LYS A 5 -12.883 -16.058 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.690 -13.697 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.693 -16.139 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.741 -16.410 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.609 -15.679 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.961 -14.090 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.576 -15.325 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.464 -14.928 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.623 -12.863 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.016 -12.639 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.539 -12.135 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.418 -13.817 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.846 -13.012 -4.972 1.00 0.00 H new ATOM 90 N ALA A 6 -11.306 -15.373 -1.673 1.00 0.00 N ATOM 91 CA ALA A 6 -10.267 -15.254 -0.657 1.00 0.00 C ATOM 92 C ALA A 6 -9.165 -14.301 -1.108 1.00 0.00 C ATOM 93 O ALA A 6 -8.661 -13.502 -0.319 1.00 0.00 O ATOM 94 CB ALA A 6 -9.685 -16.622 -0.336 1.00 0.00 C ATOM 0 H ALA A 6 -11.314 -16.266 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.720 -14.843 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.910 -16.519 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.474 -17.275 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.253 -17.054 -1.238 1.00 0.00 H new ATOM 100 N ASN A 7 -8.795 -14.391 -2.382 1.00 0.00 N ATOM 101 CA ASN A 7 -7.751 -13.537 -2.936 1.00 0.00 C ATOM 102 C ASN A 7 -8.169 -12.070 -2.895 1.00 0.00 C ATOM 103 O ASN A 7 -7.407 -11.210 -2.452 1.00 0.00 O ATOM 104 CB ASN A 7 -7.437 -13.950 -4.375 1.00 0.00 C ATOM 105 CG ASN A 7 -6.330 -14.983 -4.451 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.456 -14.911 -5.315 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.364 -15.953 -3.545 1.00 0.00 N ATOM 0 H ASN A 7 -9.203 -15.046 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.855 -13.658 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.338 -14.352 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.148 -13.069 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.647 -16.678 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.108 -15.973 -2.847 1.00 0.00 H new ATOM 114 N LYS A 8 -9.383 -11.792 -3.360 1.00 0.00 N ATOM 115 CA LYS A 8 -9.901 -10.429 -3.377 1.00 0.00 C ATOM 116 C LYS A 8 -10.145 -9.923 -1.959 1.00 0.00 C ATOM 117 O LYS A 8 -10.007 -8.731 -1.683 1.00 0.00 O ATOM 118 CB LYS A 8 -11.198 -10.365 -4.184 1.00 0.00 C ATOM 119 CG LYS A 8 -11.560 -8.962 -4.644 1.00 0.00 C ATOM 120 CD LYS A 8 -13.065 -8.753 -4.669 1.00 0.00 C ATOM 121 CE LYS A 8 -13.491 -7.906 -5.857 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.884 -7.403 -5.709 1.00 0.00 N ATOM 0 H LYS A 8 -10.026 -12.492 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.156 -9.789 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.106 -11.012 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.013 -10.761 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.101 -8.231 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.151 -8.788 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.567 -9.720 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.382 -8.270 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.810 -7.062 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.413 -8.496 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.136 -6.830 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.538 -8.208 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.953 -6.819 -4.851 1.00 0.00 H new ATOM 136 N ASP A 9 -10.507 -10.836 -1.064 1.00 0.00 N ATOM 137 CA ASP A 9 -10.770 -10.483 0.326 1.00 0.00 C ATOM 138 C ASP A 9 -9.473 -10.158 1.061 1.00 0.00 C ATOM 139 O ASP A 9 -9.461 -9.354 1.993 1.00 0.00 O ATOM 140 CB ASP A 9 -11.498 -11.625 1.036 1.00 0.00 C ATOM 141 CG ASP A 9 -13.006 -11.500 0.935 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.534 -11.572 -0.194 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.658 -11.330 1.987 1.00 0.00 O ATOM 0 H ASP A 9 -10.625 -11.827 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.404 -9.596 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.185 -12.576 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.207 -11.641 2.086 1.00 0.00 H new ATOM 148 N LEU A 10 -8.382 -10.786 0.635 1.00 0.00 N ATOM 149 CA LEU A 10 -7.082 -10.564 1.252 1.00 0.00 C ATOM 150 C LEU A 10 -6.567 -9.162 0.946 1.00 0.00 C ATOM 151 O LEU A 10 -6.102 -8.451 1.837 1.00 0.00 O ATOM 152 CB LEU A 10 -6.083 -11.613 0.758 1.00 0.00 C ATOM 153 CG LEU A 10 -5.647 -12.635 1.808 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.700 -13.657 1.198 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.992 -11.938 2.991 1.00 0.00 C ATOM 0 H LEU A 10 -8.374 -11.453 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.193 -10.657 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.525 -12.146 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.197 -11.101 0.382 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.533 -13.160 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.401 -14.376 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.203 -14.179 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.816 -13.149 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.688 -12.681 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.116 -11.387 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.702 -11.246 3.444 1.00 0.00 H new ATOM 167 N ILE A 11 -6.655 -8.768 -0.321 1.00 0.00 N ATOM 168 CA ILE A 11 -6.199 -7.450 -0.744 1.00 0.00 C ATOM 169 C ILE A 11 -7.123 -6.356 -0.223 1.00 0.00 C ATOM 170 O ILE A 11 -6.676 -5.258 0.109 1.00 0.00 O ATOM 171 CB ILE A 11 -6.115 -7.350 -2.280 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.331 -8.533 -2.850 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.472 -6.033 -2.691 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.209 -8.509 -4.357 1.00 0.00 C ATOM 0 H ILE A 11 -7.038 -9.343 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.203 -7.310 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.126 -7.381 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.332 -8.541 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.818 -9.460 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.420 -5.977 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.069 -5.203 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.466 -5.974 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.641 -9.378 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.203 -8.533 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.695 -7.599 -4.666 1.00 0.00 H new ATOM 186 N SER A 12 -8.415 -6.662 -0.153 1.00 0.00 N ATOM 187 CA SER A 12 -9.403 -5.703 0.329 1.00 0.00 C ATOM 188 C SER A 12 -9.067 -5.242 1.744 1.00 0.00 C ATOM 189 O SER A 12 -9.160 -4.056 2.060 1.00 0.00 O ATOM 190 CB SER A 12 -10.801 -6.320 0.298 1.00 0.00 C ATOM 191 OG SER A 12 -10.908 -7.392 1.220 1.00 0.00 O ATOM 0 H SER A 12 -8.802 -7.566 -0.424 1.00 0.00 H new ATOM 0 HA SER A 12 -9.383 -4.835 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.543 -5.558 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.021 -6.678 -0.708 1.00 0.00 H new ATOM 0 HG SER A 12 -10.037 -7.832 1.312 1.00 0.00 H new ATOM 197 N ALA A 13 -8.675 -6.188 2.592 1.00 0.00 N ATOM 198 CA ALA A 13 -8.324 -5.876 3.971 1.00 0.00 C ATOM 199 C ALA A 13 -7.159 -4.894 4.027 1.00 0.00 C ATOM 200 O ALA A 13 -7.198 -3.910 4.765 1.00 0.00 O ATOM 201 CB ALA A 13 -7.981 -7.150 4.729 1.00 0.00 C ATOM 0 H ALA A 13 -8.593 -7.175 2.348 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.186 -5.407 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.721 -6.902 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.841 -7.819 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.135 -7.642 4.249 1.00 0.00 H new ATOM 207 N GLY A 14 -6.125 -5.168 3.239 1.00 0.00 N ATOM 208 CA GLY A 14 -4.964 -4.300 3.210 1.00 0.00 C ATOM 209 C GLY A 14 -5.268 -2.949 2.592 1.00 0.00 C ATOM 210 O GLY A 14 -4.708 -1.931 3.002 1.00 0.00 O ATOM 0 H GLY A 14 -6.071 -5.977 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.595 -4.157 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.166 -4.783 2.646 1.00 0.00 H new ATOM 214 N LEU A 15 -6.156 -2.939 1.602 1.00 0.00 N ATOM 215 CA LEU A 15 -6.533 -1.704 0.925 1.00 0.00 C ATOM 216 C LEU A 15 -7.098 -0.689 1.915 1.00 0.00 C ATOM 217 O LEU A 15 -6.732 0.485 1.892 1.00 0.00 O ATOM 218 CB LEU A 15 -7.560 -1.995 -0.173 1.00 0.00 C ATOM 219 CG LEU A 15 -7.170 -1.506 -1.569 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.242 -1.875 -2.583 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.938 -0.002 -1.560 1.00 0.00 C ATOM 0 H LEU A 15 -6.627 -3.773 1.251 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.638 -1.278 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.729 -3.071 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.508 -1.534 0.105 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.241 -1.996 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.947 -1.519 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.361 -2.958 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.187 -1.413 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.661 0.329 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.851 0.505 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.135 0.238 -0.863 1.00 0.00 H new ATOM 233 N LYS A 16 -7.994 -1.151 2.782 1.00 0.00 N ATOM 234 CA LYS A 16 -8.609 -0.283 3.780 1.00 0.00 C ATOM 235 C LYS A 16 -7.594 0.140 4.837 1.00 0.00 C ATOM 236 O LYS A 16 -7.635 1.265 5.336 1.00 0.00 O ATOM 237 CB LYS A 16 -9.789 -0.994 4.446 1.00 0.00 C ATOM 238 CG LYS A 16 -9.421 -2.330 5.071 1.00 0.00 C ATOM 239 CD LYS A 16 -10.482 -2.796 6.054 1.00 0.00 C ATOM 240 CE LYS A 16 -10.210 -2.275 7.456 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.697 -3.216 8.503 1.00 0.00 N ATOM 0 H LYS A 16 -8.310 -2.120 2.813 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.970 0.611 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.206 -0.345 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.572 -1.153 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.296 -3.077 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.463 -2.242 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.462 -2.455 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.512 -3.885 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.139 -2.114 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.695 -1.307 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.492 -2.824 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.723 -3.350 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.216 -4.132 8.397 1.00 0.00 H new ATOM 255 N GLU A 17 -6.683 -0.768 5.173 1.00 0.00 N ATOM 256 CA GLU A 17 -5.657 -0.488 6.171 1.00 0.00 C ATOM 257 C GLU A 17 -4.789 0.691 5.744 1.00 0.00 C ATOM 258 O GLU A 17 -4.461 1.559 6.553 1.00 0.00 O ATOM 259 CB GLU A 17 -4.784 -1.723 6.395 1.00 0.00 C ATOM 260 CG GLU A 17 -5.374 -2.714 7.386 1.00 0.00 C ATOM 261 CD GLU A 17 -4.329 -3.307 8.310 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.490 -2.539 8.827 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.350 -4.538 8.518 1.00 0.00 O ATOM 0 H GLU A 17 -6.634 -1.703 4.769 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.156 -0.229 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.628 -2.226 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.804 -1.405 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.139 -2.215 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.869 -3.517 6.840 1.00 0.00 H new ATOM 270 N PHE A 18 -4.422 0.716 4.467 1.00 0.00 N ATOM 271 CA PHE A 18 -3.591 1.789 3.932 1.00 0.00 C ATOM 272 C PHE A 18 -4.390 3.082 3.800 1.00 0.00 C ATOM 273 O PHE A 18 -3.862 4.174 4.015 1.00 0.00 O ATOM 274 CB PHE A 18 -3.020 1.388 2.570 1.00 0.00 C ATOM 275 CG PHE A 18 -1.610 1.855 2.351 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.629 1.610 3.298 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.265 2.539 1.196 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.669 2.038 3.098 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.032 2.970 0.990 1.00 0.00 C ATOM 280 CZ PHE A 18 1.001 2.720 1.943 1.00 0.00 C ATOM 0 H PHE A 18 -4.686 0.006 3.784 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.769 1.960 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.054 0.303 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.656 1.796 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.882 1.078 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.018 2.738 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.424 1.840 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.288 3.502 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.015 3.057 1.785 1.00 0.00 H new ATOM 290 N SER A 19 -5.665 2.951 3.448 1.00 0.00 N ATOM 291 CA SER A 19 -6.536 4.110 3.287 1.00 0.00 C ATOM 292 C SER A 19 -6.797 4.785 4.630 1.00 0.00 C ATOM 293 O SER A 19 -6.633 5.997 4.768 1.00 0.00 O ATOM 294 CB SER A 19 -7.862 3.692 2.647 1.00 0.00 C ATOM 295 OG SER A 19 -8.381 4.727 1.829 1.00 0.00 O ATOM 0 H SER A 19 -6.118 2.055 3.269 1.00 0.00 H new ATOM 0 HA SER A 19 -6.034 4.823 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.714 2.792 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.583 3.443 3.426 1.00 0.00 H new ATOM 0 HG SER A 19 -9.227 4.435 1.430 1.00 0.00 H new ATOM 301 N VAL A 20 -7.207 3.994 5.615 1.00 0.00 N ATOM 302 CA VAL A 20 -7.491 4.515 6.946 1.00 0.00 C ATOM 303 C VAL A 20 -6.241 5.120 7.576 1.00 0.00 C ATOM 304 O VAL A 20 -6.282 6.212 8.143 1.00 0.00 O ATOM 305 CB VAL A 20 -8.048 3.414 7.873 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.972 2.399 8.235 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.657 4.027 9.124 1.00 0.00 C ATOM 0 H VAL A 20 -7.350 2.989 5.516 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.245 5.293 6.830 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.832 2.885 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.396 1.637 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.595 1.929 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.154 2.904 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.044 3.235 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.894 4.589 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.470 4.696 8.842 1.00 0.00 H new ATOM 317 N LEU A 21 -5.132 4.398 7.470 1.00 0.00 N ATOM 318 CA LEU A 21 -3.862 4.853 8.026 1.00 0.00 C ATOM 319 C LEU A 21 -3.477 6.220 7.466 1.00 0.00 C ATOM 320 O LEU A 21 -2.906 7.051 8.172 1.00 0.00 O ATOM 321 CB LEU A 21 -2.758 3.838 7.726 1.00 0.00 C ATOM 322 CG LEU A 21 -1.419 4.115 8.413 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.399 3.507 9.807 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.270 3.573 7.575 1.00 0.00 C ATOM 0 H LEU A 21 -5.086 3.492 7.003 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.981 4.945 9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.104 2.849 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.597 3.807 6.648 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.296 5.194 8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.439 3.714 10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.200 3.942 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.544 2.429 9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.675 3.778 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.388 2.497 7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.273 4.055 6.598 1.00 0.00 H new ATOM 336 N LEU A 22 -3.793 6.445 6.195 1.00 0.00 N ATOM 337 CA LEU A 22 -3.479 7.711 5.542 1.00 0.00 C ATOM 338 C LEU A 22 -4.145 8.877 6.264 1.00 0.00 C ATOM 339 O LEU A 22 -3.575 9.964 6.368 1.00 0.00 O ATOM 340 CB LEU A 22 -3.927 7.681 4.079 1.00 0.00 C ATOM 341 CG LEU A 22 -2.904 7.101 3.100 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.572 6.736 1.784 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.770 8.088 2.870 1.00 0.00 C ATOM 0 H LEU A 22 -4.266 5.768 5.597 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.399 7.851 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.846 7.099 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.169 8.697 3.768 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.486 6.193 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.829 6.325 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.349 5.993 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.017 7.627 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.051 7.660 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.171 9.013 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.274 8.299 3.817 1.00 0.00 H new ATOM 355 N ASN A 23 -5.354 8.645 6.765 1.00 0.00 N ATOM 356 CA ASN A 23 -6.098 9.676 7.479 1.00 0.00 C ATOM 357 C ASN A 23 -5.331 10.147 8.712 1.00 0.00 C ATOM 358 O ASN A 23 -5.481 11.288 9.149 1.00 0.00 O ATOM 359 CB ASN A 23 -7.473 9.149 7.892 1.00 0.00 C ATOM 360 CG ASN A 23 -8.553 10.208 7.788 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.437 11.154 7.010 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.612 10.052 8.574 1.00 0.00 N ATOM 0 H ASN A 23 -5.840 7.751 6.689 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.228 10.525 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.738 8.300 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.425 8.782 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.371 10.732 8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.666 9.252 9.204 1.00 0.00 H new ATOM 369 N GLN A 24 -4.509 9.262 9.268 1.00 0.00 N ATOM 370 CA GLN A 24 -3.720 9.589 10.450 1.00 0.00 C ATOM 371 C GLN A 24 -2.751 10.733 10.166 1.00 0.00 C ATOM 372 O GLN A 24 -2.306 11.424 11.083 1.00 0.00 O ATOM 373 CB GLN A 24 -2.947 8.358 10.927 1.00 0.00 C ATOM 374 CG GLN A 24 -3.828 7.145 11.178 1.00 0.00 C ATOM 375 CD GLN A 24 -4.499 7.183 12.537 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.871 8.248 13.029 1.00 0.00 O ATOM 377 NE2 GLN A 24 -4.657 6.016 13.151 1.00 0.00 N ATOM 0 H GLN A 24 -4.372 8.313 8.919 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.406 9.909 11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.194 8.101 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.415 8.607 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.591 7.088 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.225 6.240 11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.333 5.157 12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.102 5.978 14.068 1.00 0.00 H new ATOM 386 N GLN A 25 -2.425 10.930 8.890 1.00 0.00 N ATOM 387 CA GLN A 25 -1.507 11.992 8.490 1.00 0.00 C ATOM 388 C GLN A 25 -1.977 13.347 9.010 1.00 0.00 C ATOM 389 O GLN A 25 -2.987 13.440 9.708 1.00 0.00 O ATOM 390 CB GLN A 25 -1.381 12.035 6.965 1.00 0.00 C ATOM 391 CG GLN A 25 -0.411 11.007 6.407 1.00 0.00 C ATOM 392 CD GLN A 25 1.037 11.442 6.533 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.336 12.470 7.138 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.942 10.657 5.961 1.00 0.00 N ATOM 0 H GLN A 25 -2.783 10.369 8.117 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.531 11.777 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.364 11.873 6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.056 13.031 6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.549 10.061 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.642 10.827 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.647 9.813 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.932 10.898 6.013 1.00 0.00 H new ATOM 403 N VAL A 26 -1.236 14.397 8.668 1.00 0.00 N ATOM 404 CA VAL A 26 -1.576 15.748 9.102 1.00 0.00 C ATOM 405 C VAL A 26 -1.426 16.748 7.961 1.00 0.00 C ATOM 406 O VAL A 26 -2.368 17.463 7.621 1.00 0.00 O ATOM 407 CB VAL A 26 -0.704 16.207 10.293 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.424 15.955 11.608 1.00 0.00 C ATOM 409 CG2 VAL A 26 0.653 15.514 10.283 1.00 0.00 C ATOM 0 H VAL A 26 -0.396 14.338 8.092 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.617 15.717 9.422 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.532 17.278 10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.796 16.284 12.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.362 16.510 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.631 14.890 11.711 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.243 15.857 11.133 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.511 14.435 10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.177 15.753 9.357 1.00 0.00 H new ATOM 419 N PHE A 27 -0.234 16.796 7.372 1.00 0.00 N ATOM 420 CA PHE A 27 0.041 17.710 6.269 1.00 0.00 C ATOM 421 C PHE A 27 0.004 19.160 6.742 1.00 0.00 C ATOM 422 O PHE A 27 -0.959 19.883 6.486 1.00 0.00 O ATOM 423 CB PHE A 27 -0.969 17.504 5.138 1.00 0.00 C ATOM 424 CG PHE A 27 -1.178 16.062 4.773 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.269 15.399 3.963 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.283 15.368 5.241 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.459 14.073 3.627 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.478 14.042 4.908 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.564 13.393 4.100 1.00 0.00 C ATOM 0 H PHE A 27 0.557 16.211 7.641 1.00 0.00 H new ATOM 0 HA PHE A 27 1.041 17.493 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.925 17.938 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.630 18.048 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.597 15.925 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.000 15.870 5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.256 13.568 2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.344 13.513 5.279 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.714 12.356 3.839 1.00 0.00 H new ATOM 439 N ASN A 28 1.059 19.579 7.432 1.00 0.00 N ATOM 440 CA ASN A 28 1.149 20.943 7.942 1.00 0.00 C ATOM 441 C ASN A 28 2.486 21.184 8.636 1.00 0.00 C ATOM 442 O ASN A 28 3.065 22.265 8.531 1.00 0.00 O ATOM 443 CB ASN A 28 -0.001 21.226 8.910 1.00 0.00 C ATOM 444 CG ASN A 28 -0.193 20.116 9.925 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.752 19.703 10.597 1.00 0.00 O ATOM 446 ND2 ASN A 28 -1.421 19.624 10.039 1.00 0.00 N ATOM 0 H ASN A 28 1.865 18.993 7.651 1.00 0.00 H new ATOM 0 HA ASN A 28 1.077 21.623 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.191 22.163 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.923 21.360 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.610 18.874 10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.175 19.996 9.462 1.00 0.00 H new ATOM 453 N ASP A 29 2.972 20.171 9.348 1.00 0.00 N ATOM 454 CA ASP A 29 4.240 20.278 10.061 1.00 0.00 C ATOM 455 C ASP A 29 5.180 19.156 9.702 1.00 0.00 C ATOM 456 O ASP A 29 5.793 18.546 10.579 1.00 0.00 O ATOM 457 CB ASP A 29 4.004 20.310 11.572 1.00 0.00 C ATOM 458 CG ASP A 29 5.177 20.902 12.328 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.292 20.931 11.767 1.00 0.00 O ATOM 460 OD2 ASP A 29 4.980 21.338 13.483 1.00 0.00 O ATOM 0 H ASP A 29 2.507 19.268 9.446 1.00 0.00 H new ATOM 0 HA ASP A 29 4.709 21.213 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.107 20.892 11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.819 19.297 11.930 1.00 0.00 H new ATOM 465 N PRO A 30 5.359 18.888 8.402 1.00 0.00 N ATOM 466 CA PRO A 30 6.284 17.865 7.992 1.00 0.00 C ATOM 467 C PRO A 30 7.699 18.411 8.012 1.00 0.00 C ATOM 468 O PRO A 30 8.024 19.378 7.323 1.00 0.00 O ATOM 469 CB PRO A 30 5.841 17.558 6.564 1.00 0.00 C ATOM 470 CG PRO A 30 5.298 18.852 6.057 1.00 0.00 C ATOM 471 CD PRO A 30 4.731 19.573 7.256 1.00 0.00 C ATOM 0 HA PRO A 30 6.284 16.986 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.676 17.212 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.084 16.774 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.081 19.443 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.527 18.682 5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.978 20.635 7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.644 19.499 7.291 1.00 0.00 H new ATOM 479 N LEU A 31 8.528 17.778 8.808 1.00 0.00 N ATOM 480 CA LEU A 31 9.924 18.170 8.947 1.00 0.00 C ATOM 481 C LEU A 31 10.810 17.382 7.988 1.00 0.00 C ATOM 482 O LEU A 31 11.836 17.880 7.523 1.00 0.00 O ATOM 483 CB LEU A 31 10.395 17.957 10.388 1.00 0.00 C ATOM 484 CG LEU A 31 10.233 19.168 11.308 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.144 20.302 10.862 1.00 0.00 C ATOM 486 CD2 LEU A 31 8.783 19.626 11.335 1.00 0.00 C ATOM 0 H LEU A 31 8.261 16.977 9.380 1.00 0.00 H new ATOM 0 HA LEU A 31 10.004 19.228 8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.843 17.120 10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.447 17.670 10.372 1.00 0.00 H new ATOM 0 HG LEU A 31 10.519 18.875 12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.015 21.155 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.182 19.969 10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.889 20.595 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.686 20.488 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.470 19.902 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.152 18.816 11.702 1.00 0.00 H new ATOM 498 N VAL A 32 10.406 16.150 7.694 1.00 0.00 N ATOM 499 CA VAL A 32 11.163 15.293 6.790 1.00 0.00 C ATOM 500 C VAL A 32 11.116 15.825 5.361 1.00 0.00 C ATOM 501 O VAL A 32 10.220 16.588 5.002 1.00 0.00 O ATOM 502 CB VAL A 32 10.627 13.849 6.805 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.546 12.930 6.014 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.467 13.353 8.234 1.00 0.00 C ATOM 0 H VAL A 32 9.559 15.723 8.069 1.00 0.00 H new ATOM 0 HA VAL A 32 12.194 15.294 7.142 1.00 0.00 H new ATOM 0 HB VAL A 32 9.646 13.840 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.151 11.914 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.604 13.275 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.542 12.942 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.087 12.331 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.433 13.376 8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.765 13.996 8.766 1.00 0.00 H new ATOM 514 N SER A 33 12.087 15.416 4.552 1.00 0.00 N ATOM 515 CA SER A 33 12.157 15.852 3.162 1.00 0.00 C ATOM 516 C SER A 33 11.241 15.008 2.280 1.00 0.00 C ATOM 517 O SER A 33 10.715 13.985 2.715 1.00 0.00 O ATOM 518 CB SER A 33 13.596 15.767 2.650 1.00 0.00 C ATOM 519 OG SER A 33 13.680 16.169 1.294 1.00 0.00 O ATOM 0 H SER A 33 12.836 14.784 4.834 1.00 0.00 H new ATOM 0 HA SER A 33 11.823 16.889 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.240 16.400 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.962 14.745 2.753 1.00 0.00 H new ATOM 0 HG SER A 33 14.610 16.107 0.991 1.00 0.00 H new ATOM 525 N GLU A 34 11.055 15.446 1.039 1.00 0.00 N ATOM 526 CA GLU A 34 10.203 14.732 0.096 1.00 0.00 C ATOM 527 C GLU A 34 10.831 13.399 -0.303 1.00 0.00 C ATOM 528 O GLU A 34 10.161 12.367 -0.315 1.00 0.00 O ATOM 529 CB GLU A 34 9.957 15.585 -1.149 1.00 0.00 C ATOM 530 CG GLU A 34 11.218 15.882 -1.944 1.00 0.00 C ATOM 531 CD GLU A 34 11.038 17.028 -2.918 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.453 18.059 -2.521 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.480 16.898 -4.078 1.00 0.00 O ATOM 0 H GLU A 34 11.483 16.292 0.663 1.00 0.00 H new ATOM 0 HA GLU A 34 9.250 14.533 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.243 15.073 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.497 16.526 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.029 16.119 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.516 14.988 -2.492 1.00 0.00 H new ATOM 540 N GLU A 35 12.118 13.432 -0.630 1.00 0.00 N ATOM 541 CA GLU A 35 12.836 12.227 -1.029 1.00 0.00 C ATOM 542 C GLU A 35 12.815 11.187 0.086 1.00 0.00 C ATOM 543 O GLU A 35 12.503 10.018 -0.148 1.00 0.00 O ATOM 544 CB GLU A 35 14.281 12.567 -1.398 1.00 0.00 C ATOM 545 CG GLU A 35 14.447 13.035 -2.835 1.00 0.00 C ATOM 546 CD GLU A 35 15.843 12.785 -3.371 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.794 13.423 -2.874 1.00 0.00 O ATOM 548 OE2 GLU A 35 15.983 11.950 -4.291 1.00 0.00 O ATOM 0 H GLU A 35 12.685 14.280 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 35 12.335 11.808 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.645 13.345 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.905 11.688 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.722 12.522 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.224 14.100 -2.895 1.00 0.00 H new ATOM 555 N ASP A 36 13.149 11.618 1.297 1.00 0.00 N ATOM 556 CA ASP A 36 13.168 10.723 2.449 1.00 0.00 C ATOM 557 C ASP A 36 11.790 10.132 2.708 1.00 0.00 C ATOM 558 O ASP A 36 11.660 9.043 3.267 1.00 0.00 O ATOM 559 CB ASP A 36 13.665 11.462 3.693 1.00 0.00 C ATOM 560 CG ASP A 36 13.912 10.528 4.861 1.00 0.00 C ATOM 561 OD1 ASP A 36 14.672 9.552 4.690 1.00 0.00 O ATOM 562 OD2 ASP A 36 13.344 10.771 5.947 1.00 0.00 O ATOM 0 H ASP A 36 13.410 12.581 1.507 1.00 0.00 H new ATOM 0 HA ASP A 36 13.853 9.906 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.587 11.991 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.932 12.215 3.982 1.00 0.00 H new ATOM 567 N MET A 37 10.768 10.859 2.293 1.00 0.00 N ATOM 568 CA MET A 37 9.389 10.421 2.471 1.00 0.00 C ATOM 569 C MET A 37 9.032 9.329 1.469 1.00 0.00 C ATOM 570 O MET A 37 8.241 8.433 1.767 1.00 0.00 O ATOM 571 CB MET A 37 8.431 11.604 2.316 1.00 0.00 C ATOM 572 CG MET A 37 7.222 11.533 3.235 1.00 0.00 C ATOM 573 SD MET A 37 7.427 12.520 4.729 1.00 0.00 S ATOM 574 CE MET A 37 7.509 14.169 4.038 1.00 0.00 C ATOM 0 H MET A 37 10.865 11.761 1.827 1.00 0.00 H new ATOM 0 HA MET A 37 9.291 10.013 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.974 12.528 2.514 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.089 11.650 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.340 11.877 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.042 10.494 3.512 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.522 14.557 4.142 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.240 14.135 2.982 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.815 14.821 4.568 1.00 0.00 H new ATOM 584 N VAL A 38 9.620 9.408 0.280 1.00 0.00 N ATOM 585 CA VAL A 38 9.364 8.425 -0.766 1.00 0.00 C ATOM 586 C VAL A 38 9.816 7.033 -0.335 1.00 0.00 C ATOM 587 O VAL A 38 9.092 6.053 -0.507 1.00 0.00 O ATOM 588 CB VAL A 38 10.079 8.800 -2.077 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.642 7.880 -3.206 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.812 10.255 -2.434 1.00 0.00 C ATOM 0 H VAL A 38 10.277 10.143 0.017 1.00 0.00 H new ATOM 0 HA VAL A 38 8.287 8.419 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 38 11.152 8.676 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.158 8.161 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.889 6.849 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.566 7.970 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.325 10.502 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.740 10.408 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.179 10.899 -1.635 1.00 0.00 H new ATOM 600 N THR A 39 11.018 6.954 0.226 1.00 0.00 N ATOM 601 CA THR A 39 11.567 5.682 0.682 1.00 0.00 C ATOM 602 C THR A 39 10.682 5.065 1.760 1.00 0.00 C ATOM 603 O THR A 39 10.584 3.843 1.872 1.00 0.00 O ATOM 604 CB THR A 39 12.985 5.878 1.220 1.00 0.00 C ATOM 605 OG1 THR A 39 13.523 4.649 1.672 1.00 0.00 O ATOM 606 CG2 THR A 39 13.060 6.862 2.368 1.00 0.00 C ATOM 0 H THR A 39 11.631 7.756 0.376 1.00 0.00 H new ATOM 0 HA THR A 39 11.601 5.002 -0.169 1.00 0.00 H new ATOM 0 HB THR A 39 13.559 6.277 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.431 4.794 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.094 6.954 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.698 7.835 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.443 6.506 3.193 1.00 0.00 H new ATOM 614 N VAL A 40 10.040 5.918 2.551 1.00 0.00 N ATOM 615 CA VAL A 40 9.162 5.455 3.621 1.00 0.00 C ATOM 616 C VAL A 40 7.971 4.686 3.059 1.00 0.00 C ATOM 617 O VAL A 40 7.603 3.630 3.573 1.00 0.00 O ATOM 618 CB VAL A 40 8.645 6.631 4.471 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.862 6.119 5.672 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.799 7.517 4.919 1.00 0.00 C ATOM 0 H VAL A 40 10.111 6.932 2.472 1.00 0.00 H new ATOM 0 HA VAL A 40 9.754 4.793 4.253 1.00 0.00 H new ATOM 0 HB VAL A 40 7.974 7.231 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.505 6.964 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.011 5.531 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.509 5.495 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.413 8.342 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.497 6.931 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.314 7.914 4.044 1.00 0.00 H new ATOM 630 N VAL A 41 7.374 5.222 1.999 1.00 0.00 N ATOM 631 CA VAL A 41 6.225 4.585 1.368 1.00 0.00 C ATOM 632 C VAL A 41 6.602 3.227 0.785 1.00 0.00 C ATOM 633 O VAL A 41 5.840 2.265 0.882 1.00 0.00 O ATOM 634 CB VAL A 41 5.637 5.466 0.248 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.352 4.859 -0.293 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.394 6.881 0.754 1.00 0.00 C ATOM 0 H VAL A 41 7.667 6.095 1.560 1.00 0.00 H new ATOM 0 HA VAL A 41 5.473 4.449 2.145 1.00 0.00 H new ATOM 0 HB VAL A 41 6.359 5.514 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.953 5.496 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.559 3.868 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.621 4.777 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.979 7.489 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.692 6.854 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.337 7.315 1.087 1.00 0.00 H new ATOM 646 N GLU A 42 7.783 3.156 0.179 1.00 0.00 N ATOM 647 CA GLU A 42 8.262 1.916 -0.420 1.00 0.00 C ATOM 648 C GLU A 42 8.509 0.856 0.650 1.00 0.00 C ATOM 649 O GLU A 42 8.195 -0.319 0.458 1.00 0.00 O ATOM 650 CB GLU A 42 9.547 2.169 -1.210 1.00 0.00 C ATOM 651 CG GLU A 42 9.400 3.234 -2.285 1.00 0.00 C ATOM 652 CD GLU A 42 8.256 2.947 -3.237 1.00 0.00 C ATOM 653 OE1 GLU A 42 8.039 1.761 -3.565 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.578 3.907 -3.656 1.00 0.00 O ATOM 0 H GLU A 42 8.426 3.943 0.090 1.00 0.00 H new ATOM 0 HA GLU A 42 7.493 1.549 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.335 2.468 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.867 1.237 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.240 4.203 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.329 3.305 -2.850 1.00 0.00 H new ATOM 661 N ASP A 43 9.072 1.280 1.776 1.00 0.00 N ATOM 662 CA ASP A 43 9.360 0.368 2.877 1.00 0.00 C ATOM 663 C ASP A 43 8.090 0.030 3.650 1.00 0.00 C ATOM 664 O ASP A 43 7.922 -1.091 4.129 1.00 0.00 O ATOM 665 CB ASP A 43 10.396 0.984 3.819 1.00 0.00 C ATOM 666 CG ASP A 43 11.356 -0.048 4.377 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.335 -0.387 3.680 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.128 -0.518 5.512 1.00 0.00 O ATOM 0 H ASP A 43 9.338 2.249 1.950 1.00 0.00 H new ATOM 0 HA ASP A 43 9.764 -0.553 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.959 1.749 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.884 1.482 4.642 1.00 0.00 H new ATOM 673 N TRP A 44 7.197 1.007 3.766 1.00 0.00 N ATOM 674 CA TRP A 44 5.940 0.814 4.480 1.00 0.00 C ATOM 675 C TRP A 44 5.114 -0.293 3.835 1.00 0.00 C ATOM 676 O TRP A 44 4.641 -1.205 4.513 1.00 0.00 O ATOM 677 CB TRP A 44 5.140 2.118 4.509 1.00 0.00 C ATOM 678 CG TRP A 44 5.264 2.865 5.802 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.248 2.730 6.739 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.369 3.865 6.303 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.019 3.583 7.790 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.872 4.292 7.547 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.190 4.443 5.820 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.238 5.268 8.312 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.562 5.410 6.581 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.087 5.814 7.815 1.00 0.00 C ATOM 0 H TRP A 44 7.320 1.941 3.375 1.00 0.00 H new ATOM 0 HA TRP A 44 6.172 0.518 5.503 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.476 2.759 3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.089 1.895 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.085 2.051 6.664 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.608 3.674 8.618 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.778 4.139 4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.641 5.582 9.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.651 5.862 6.218 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.572 6.573 8.386 1.00 0.00 H new ATOM 697 N MET A 45 4.942 -0.206 2.519 1.00 0.00 N ATOM 698 CA MET A 45 4.172 -1.200 1.782 1.00 0.00 C ATOM 699 C MET A 45 4.910 -2.535 1.736 1.00 0.00 C ATOM 700 O MET A 45 4.293 -3.599 1.801 1.00 0.00 O ATOM 701 CB MET A 45 3.895 -0.709 0.359 1.00 0.00 C ATOM 702 CG MET A 45 5.153 -0.398 -0.433 1.00 0.00 C ATOM 703 SD MET A 45 4.930 0.975 -1.581 1.00 0.00 S ATOM 704 CE MET A 45 3.729 0.278 -2.713 1.00 0.00 C ATOM 0 H MET A 45 5.326 0.543 1.942 1.00 0.00 H new ATOM 0 HA MET A 45 3.224 -1.346 2.300 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.319 -1.467 -0.172 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.275 0.186 0.407 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.963 -0.162 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.456 -1.285 -0.989 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.183 0.158 -3.697 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.402 -0.694 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.870 0.945 -2.788 1.00 0.00 H new ATOM 714 N ASN A 46 6.232 -2.471 1.625 1.00 0.00 N ATOM 715 CA ASN A 46 7.054 -3.674 1.570 1.00 0.00 C ATOM 716 C ASN A 46 6.874 -4.515 2.831 1.00 0.00 C ATOM 717 O ASN A 46 6.963 -5.741 2.790 1.00 0.00 O ATOM 718 CB ASN A 46 8.528 -3.304 1.397 1.00 0.00 C ATOM 719 CG ASN A 46 9.384 -4.497 1.019 1.00 0.00 C ATOM 720 OD1 ASN A 46 8.884 -5.613 0.879 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.680 -4.266 0.851 1.00 0.00 N ATOM 0 H ASN A 46 6.758 -1.598 1.571 1.00 0.00 H new ATOM 0 HA ASN A 46 6.732 -4.264 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.619 -2.537 0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.902 -2.871 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.305 -5.030 0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.051 -3.324 0.978 1.00 0.00 H new ATOM 728 N PHE A 47 6.619 -3.844 3.950 1.00 0.00 N ATOM 729 CA PHE A 47 6.426 -4.529 5.223 1.00 0.00 C ATOM 730 C PHE A 47 5.075 -5.237 5.261 1.00 0.00 C ATOM 731 O PHE A 47 4.949 -6.325 5.822 1.00 0.00 O ATOM 732 CB PHE A 47 6.527 -3.535 6.381 1.00 0.00 C ATOM 733 CG PHE A 47 7.197 -4.101 7.602 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.412 -4.761 7.496 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.614 -3.972 8.851 1.00 0.00 C ATOM 736 CE1 PHE A 47 9.031 -5.281 8.618 1.00 0.00 C ATOM 737 CE2 PHE A 47 7.229 -4.491 9.974 1.00 0.00 C ATOM 738 CZ PHE A 47 8.438 -5.147 9.857 1.00 0.00 C ATOM 0 H PHE A 47 6.541 -2.828 4.001 1.00 0.00 H new ATOM 0 HA PHE A 47 7.211 -5.278 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.079 -2.656 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.525 -3.199 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.879 -4.870 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.668 -3.460 8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.978 -5.792 8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.764 -4.384 10.943 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.919 -5.555 10.734 1.00 0.00 H new ATOM 748 N TYR A 48 4.069 -4.610 4.661 1.00 0.00 N ATOM 749 CA TYR A 48 2.726 -5.180 4.626 1.00 0.00 C ATOM 750 C TYR A 48 2.685 -6.423 3.744 1.00 0.00 C ATOM 751 O TYR A 48 1.963 -7.378 4.031 1.00 0.00 O ATOM 752 CB TYR A 48 1.724 -4.144 4.114 1.00 0.00 C ATOM 753 CG TYR A 48 1.297 -3.144 5.164 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.238 -2.413 5.878 1.00 0.00 C ATOM 755 CD2 TYR A 48 -0.048 -2.930 5.441 1.00 0.00 C ATOM 756 CE1 TYR A 48 1.852 -1.498 6.839 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.443 -2.016 6.400 1.00 0.00 C ATOM 758 CZ TYR A 48 0.511 -1.303 7.096 1.00 0.00 C ATOM 759 OH TYR A 48 0.122 -0.393 8.051 1.00 0.00 O ATOM 0 H TYR A 48 4.157 -3.708 4.193 1.00 0.00 H new ATOM 0 HA TYR A 48 2.454 -5.468 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.165 -3.609 3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.842 -4.660 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.289 -2.562 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.797 -3.487 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.596 -0.939 7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.492 -1.861 6.603 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.856 -0.376 8.107 1.00 0.00 H new ATOM 769 N ILE A 49 3.466 -6.405 2.667 1.00 0.00 N ATOM 770 CA ILE A 49 3.519 -7.531 1.744 1.00 0.00 C ATOM 771 C ILE A 49 4.146 -8.754 2.406 1.00 0.00 C ATOM 772 O ILE A 49 3.697 -9.882 2.202 1.00 0.00 O ATOM 773 CB ILE A 49 4.320 -7.181 0.474 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.809 -5.875 -0.137 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.232 -8.314 -0.540 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.894 -5.048 -0.791 1.00 0.00 C ATOM 0 H ILE A 49 4.070 -5.623 2.414 1.00 0.00 H new ATOM 0 HA ILE A 49 2.491 -7.759 1.464 1.00 0.00 H new ATOM 0 HB ILE A 49 5.366 -7.047 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.043 -6.105 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.331 -5.281 0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.803 -8.051 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.641 -9.225 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.190 -8.478 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.459 -4.137 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.649 -4.787 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.357 -5.623 -1.593 1.00 0.00 H new ATOM 788 N ASN A 50 5.186 -8.522 3.200 1.00 0.00 N ATOM 789 CA ASN A 50 5.874 -9.606 3.894 1.00 0.00 C ATOM 790 C ASN A 50 4.971 -10.238 4.947 1.00 0.00 C ATOM 791 O ASN A 50 5.072 -11.431 5.232 1.00 0.00 O ATOM 792 CB ASN A 50 7.156 -9.087 4.548 1.00 0.00 C ATOM 793 CG ASN A 50 8.281 -10.103 4.501 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.078 -11.284 4.782 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.475 -9.647 4.145 1.00 0.00 N ATOM 0 H ASN A 50 5.571 -7.595 3.379 1.00 0.00 H new ATOM 0 HA ASN A 50 6.132 -10.369 3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.473 -8.174 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.951 -8.824 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.270 -10.284 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.598 -8.660 3.920 1.00 0.00 H new ATOM 802 N TYR A 51 4.088 -9.429 5.525 1.00 0.00 N ATOM 803 CA TYR A 51 3.167 -9.908 6.548 1.00 0.00 C ATOM 804 C TYR A 51 2.054 -10.748 5.928 1.00 0.00 C ATOM 805 O TYR A 51 1.774 -11.858 6.380 1.00 0.00 O ATOM 806 CB TYR A 51 2.565 -8.730 7.316 1.00 0.00 C ATOM 807 CG TYR A 51 2.346 -9.013 8.785 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.416 -9.073 9.668 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.068 -9.220 9.289 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.221 -9.331 11.011 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.864 -9.478 10.631 1.00 0.00 C ATOM 812 CZ TYR A 51 1.943 -9.534 11.488 1.00 0.00 C ATOM 813 OH TYR A 51 1.744 -9.791 12.824 1.00 0.00 O ATOM 0 H TYR A 51 3.992 -8.438 5.302 1.00 0.00 H new ATOM 0 HA TYR A 51 3.728 -10.535 7.241 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.223 -7.867 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.612 -8.459 6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.418 -8.915 9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.220 -9.179 8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.065 -9.374 11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.136 -9.635 11.007 1.00 0.00 H new ATOM 0 HH TYR A 51 0.786 -9.909 12.995 1.00 0.00 H new ATOM 823 N TYR A 52 1.422 -10.211 4.889 1.00 0.00 N ATOM 824 CA TYR A 52 0.340 -10.910 4.207 1.00 0.00 C ATOM 825 C TYR A 52 0.831 -12.230 3.623 1.00 0.00 C ATOM 826 O TYR A 52 0.156 -13.254 3.724 1.00 0.00 O ATOM 827 CB TYR A 52 -0.244 -10.033 3.099 1.00 0.00 C ATOM 828 CG TYR A 52 -1.237 -9.007 3.597 1.00 0.00 C ATOM 829 CD1 TYR A 52 -0.989 -8.277 4.753 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.421 -8.768 2.913 1.00 0.00 C ATOM 831 CE1 TYR A 52 -1.894 -7.338 5.212 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.331 -7.832 3.365 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.062 -7.120 4.514 1.00 0.00 C ATOM 834 OH TYR A 52 -3.966 -6.186 4.968 1.00 0.00 O ATOM 0 H TYR A 52 1.641 -9.293 4.501 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.440 -11.124 4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.570 -9.520 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.732 -10.671 2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.074 -8.446 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.635 -9.323 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.687 -6.779 6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.248 -7.659 2.821 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.536 -5.612 5.636 1.00 0.00 H new ATOM 844 N ARG A 53 2.011 -12.199 3.011 1.00 0.00 N ATOM 845 CA ARG A 53 2.593 -13.394 2.411 1.00 0.00 C ATOM 846 C ARG A 53 2.773 -14.499 3.450 1.00 0.00 C ATOM 847 O ARG A 53 2.872 -15.676 3.104 1.00 0.00 O ATOM 848 CB ARG A 53 3.939 -13.061 1.765 1.00 0.00 C ATOM 849 CG ARG A 53 4.214 -13.846 0.493 1.00 0.00 C ATOM 850 CD ARG A 53 4.993 -13.018 -0.516 1.00 0.00 C ATOM 851 NE ARG A 53 5.689 -13.854 -1.491 1.00 0.00 N ATOM 852 CZ ARG A 53 6.236 -13.388 -2.610 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.171 -12.094 -2.901 1.00 0.00 N ATOM 854 NH2 ARG A 53 6.851 -14.217 -3.442 1.00 0.00 N ATOM 0 H ARG A 53 2.583 -11.359 2.918 1.00 0.00 H new ATOM 0 HA ARG A 53 1.907 -13.753 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.970 -11.995 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.736 -13.257 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.775 -14.748 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.271 -14.167 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.311 -12.346 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.717 -12.394 0.009 1.00 0.00 H new ATOM 0 HE ARG A 53 5.760 -14.854 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.700 -11.451 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.593 -11.743 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.904 -15.212 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.271 -13.860 -4.300 1.00 0.00 H new ATOM 868 N GLN A 54 2.815 -14.114 4.722 1.00 0.00 N ATOM 869 CA GLN A 54 2.984 -15.078 5.805 1.00 0.00 C ATOM 870 C GLN A 54 1.638 -15.642 6.262 1.00 0.00 C ATOM 871 O GLN A 54 1.576 -16.422 7.213 1.00 0.00 O ATOM 872 CB GLN A 54 3.702 -14.424 6.987 1.00 0.00 C ATOM 873 CG GLN A 54 5.216 -14.442 6.864 1.00 0.00 C ATOM 874 CD GLN A 54 5.909 -14.587 8.205 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.041 -15.692 8.732 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.355 -13.469 8.764 1.00 0.00 N ATOM 0 H GLN A 54 2.735 -13.144 5.028 1.00 0.00 H new ATOM 0 HA GLN A 54 3.588 -15.903 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.366 -13.391 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.414 -14.937 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.514 -15.265 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.549 -13.521 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.224 -12.575 8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.829 -13.504 9.666 1.00 0.00 H new ATOM 885 N GLN A 55 0.562 -15.247 5.583 1.00 0.00 N ATOM 886 CA GLN A 55 -0.773 -15.720 5.929 1.00 0.00 C ATOM 887 C GLN A 55 -1.629 -15.895 4.678 1.00 0.00 C ATOM 888 O GLN A 55 -2.784 -15.469 4.637 1.00 0.00 O ATOM 889 CB GLN A 55 -1.448 -14.742 6.894 1.00 0.00 C ATOM 890 CG GLN A 55 -0.775 -14.667 8.254 1.00 0.00 C ATOM 891 CD GLN A 55 0.152 -13.474 8.380 1.00 0.00 C ATOM 892 OE1 GLN A 55 1.355 -13.579 8.140 1.00 0.00 O ATOM 893 NE2 GLN A 55 -0.405 -12.330 8.761 1.00 0.00 N ATOM 0 H GLN A 55 0.591 -14.603 4.793 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.674 -16.690 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.454 -13.748 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.489 -15.037 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.538 -14.613 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.209 -15.582 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.407 -12.288 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.169 -11.493 8.865 1.00 0.00 H new ATOM 902 N VAL A 56 -1.054 -16.524 3.658 1.00 0.00 N ATOM 903 CA VAL A 56 -1.764 -16.756 2.404 1.00 0.00 C ATOM 904 C VAL A 56 -2.315 -18.176 2.343 1.00 0.00 C ATOM 905 O VAL A 56 -2.055 -18.991 3.229 1.00 0.00 O ATOM 906 CB VAL A 56 -0.858 -16.518 1.173 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.640 -15.834 0.061 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.372 -15.700 1.546 1.00 0.00 C ATOM 0 H VAL A 56 -0.099 -16.882 3.675 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.586 -16.040 2.377 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.517 -17.488 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.988 -15.674 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.480 -16.464 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.014 -14.874 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.990 -15.548 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.060 -14.733 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.947 -16.232 2.304 1.00 0.00 H new ATOM 918 N THR A 57 -3.069 -18.470 1.288 1.00 0.00 N ATOM 919 CA THR A 57 -3.651 -19.786 1.099 1.00 0.00 C ATOM 920 C THR A 57 -4.176 -19.932 -0.320 1.00 0.00 C ATOM 921 O THR A 57 -4.678 -18.978 -0.915 1.00 0.00 O ATOM 922 CB THR A 57 -4.783 -20.035 2.093 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.574 -18.871 2.257 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.303 -20.463 3.462 1.00 0.00 C ATOM 0 H THR A 57 -3.290 -17.805 0.547 1.00 0.00 H new ATOM 0 HA THR A 57 -2.869 -20.525 1.273 1.00 0.00 H new ATOM 0 HB THR A 57 -5.365 -20.850 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.294 -19.052 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.161 -20.622 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.736 -21.390 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.665 -19.686 3.883 1.00 0.00 H new ATOM 932 N GLY A 58 -4.050 -21.133 -0.850 1.00 0.00 N ATOM 933 CA GLY A 58 -4.503 -21.410 -2.197 1.00 0.00 C ATOM 934 C GLY A 58 -3.491 -22.209 -2.986 1.00 0.00 C ATOM 935 O GLY A 58 -3.006 -23.244 -2.530 1.00 0.00 O ATOM 0 H GLY A 58 -3.638 -21.932 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.444 -21.958 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.703 -20.470 -2.712 1.00 0.00 H new ATOM 939 N GLU A 59 -3.173 -21.718 -4.170 1.00 0.00 N ATOM 940 CA GLU A 59 -2.207 -22.375 -5.043 1.00 0.00 C ATOM 941 C GLU A 59 -0.995 -21.477 -5.274 1.00 0.00 C ATOM 942 O GLU A 59 -1.055 -20.269 -5.043 1.00 0.00 O ATOM 943 CB GLU A 59 -2.854 -22.735 -6.383 1.00 0.00 C ATOM 944 CG GLU A 59 -4.267 -23.278 -6.253 1.00 0.00 C ATOM 945 CD GLU A 59 -4.579 -24.346 -7.283 1.00 0.00 C ATOM 946 OE1 GLU A 59 -5.032 -23.990 -8.390 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.372 -25.540 -6.980 1.00 0.00 O ATOM 0 H GLU A 59 -3.571 -20.861 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.875 -23.292 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.872 -21.849 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.235 -23.476 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.403 -23.692 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.978 -22.459 -6.358 1.00 0.00 H new ATOM 954 N PRO A 60 0.129 -22.056 -5.732 1.00 0.00 N ATOM 955 CA PRO A 60 1.357 -21.299 -5.989 1.00 0.00 C ATOM 956 C PRO A 60 1.106 -20.048 -6.827 1.00 0.00 C ATOM 957 O PRO A 60 1.498 -18.945 -6.445 1.00 0.00 O ATOM 958 CB PRO A 60 2.228 -22.293 -6.760 1.00 0.00 C ATOM 959 CG PRO A 60 1.763 -23.632 -6.302 1.00 0.00 C ATOM 960 CD PRO A 60 0.289 -23.491 -6.033 1.00 0.00 C ATOM 0 HA PRO A 60 1.812 -20.935 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.104 -22.177 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.286 -22.145 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.950 -24.391 -7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.295 -23.943 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.307 -23.789 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.028 -24.114 -5.197 1.00 0.00 H new ATOM 968 N GLN A 61 0.452 -20.228 -7.969 1.00 0.00 N ATOM 969 CA GLN A 61 0.152 -19.114 -8.862 1.00 0.00 C ATOM 970 C GLN A 61 -0.993 -18.264 -8.317 1.00 0.00 C ATOM 971 O GLN A 61 -1.040 -17.055 -8.541 1.00 0.00 O ATOM 972 CB GLN A 61 -0.203 -19.632 -10.257 1.00 0.00 C ATOM 973 CG GLN A 61 -1.396 -20.573 -10.272 1.00 0.00 C ATOM 974 CD GLN A 61 -1.766 -21.024 -11.671 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.913 -21.100 -12.556 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.043 -21.323 -11.878 1.00 0.00 N ATOM 0 H GLN A 61 0.119 -21.134 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 61 1.042 -18.489 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.412 -18.783 -10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.661 -20.148 -10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.172 -21.447 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.252 -20.075 -9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.715 -21.245 -11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.352 -21.630 -12.800 1.00 0.00 H new ATOM 985 N GLU A 62 -1.915 -18.902 -7.602 1.00 0.00 N ATOM 986 CA GLU A 62 -3.056 -18.197 -7.031 1.00 0.00 C ATOM 987 C GLU A 62 -2.598 -17.179 -5.993 1.00 0.00 C ATOM 988 O GLU A 62 -2.972 -16.008 -6.050 1.00 0.00 O ATOM 989 CB GLU A 62 -4.034 -19.191 -6.399 1.00 0.00 C ATOM 990 CG GLU A 62 -5.292 -19.412 -7.223 1.00 0.00 C ATOM 991 CD GLU A 62 -6.492 -18.673 -6.665 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.682 -18.697 -5.431 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.243 -18.072 -7.462 1.00 0.00 O ATOM 0 H GLU A 62 -1.894 -19.903 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.565 -17.665 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.529 -20.147 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.316 -18.832 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.113 -19.085 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.513 -20.479 -7.263 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.783 -17.632 -5.045 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.272 -16.760 -4.000 1.00 0.00 C ATOM 1002 C ARG A 63 -0.464 -15.616 -4.602 1.00 0.00 C ATOM 1003 O ARG A 63 -0.485 -14.493 -4.097 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.408 -17.562 -3.028 1.00 0.00 C ATOM 1005 CG ARG A 63 0.857 -18.125 -3.655 1.00 0.00 C ATOM 1006 CD ARG A 63 1.798 -18.687 -2.603 1.00 0.00 C ATOM 1007 NE ARG A 63 1.100 -19.532 -1.636 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.643 -19.966 -0.501 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.890 -19.635 -0.185 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.939 -20.731 0.321 1.00 0.00 N ATOM 0 H ARG A 63 -1.464 -18.599 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.117 -16.335 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.133 -16.924 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.999 -18.384 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.594 -18.909 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.365 -17.342 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.582 -19.266 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.288 -17.866 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 63 0.139 -19.805 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.436 -19.046 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.301 -19.970 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.019 -20.987 0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.356 -21.063 1.191 1.00 0.00 H new ATOM 1024 N ASP A 64 0.245 -15.909 -5.688 1.00 0.00 N ATOM 1025 CA ASP A 64 1.057 -14.906 -6.365 1.00 0.00 C ATOM 1026 C ASP A 64 0.176 -13.894 -7.089 1.00 0.00 C ATOM 1027 O ASP A 64 0.503 -12.710 -7.161 1.00 0.00 O ATOM 1028 CB ASP A 64 2.006 -15.576 -7.360 1.00 0.00 C ATOM 1029 CG ASP A 64 3.348 -14.877 -7.440 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.094 -14.907 -6.440 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.653 -14.298 -8.504 1.00 0.00 O ATOM 0 H ASP A 64 0.273 -16.834 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 64 1.643 -14.379 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.158 -16.616 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.545 -15.585 -8.348 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.943 -14.371 -7.625 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.873 -13.511 -8.347 1.00 0.00 C ATOM 1038 C LYS A 65 -2.420 -12.412 -7.439 1.00 0.00 C ATOM 1039 O LYS A 65 -2.498 -11.249 -7.834 1.00 0.00 O ATOM 1040 CB LYS A 65 -3.026 -14.339 -8.920 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.368 -13.991 -10.359 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.369 -12.849 -10.434 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.682 -11.524 -10.727 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.476 -10.682 -11.665 1.00 0.00 N ATOM 0 H LYS A 65 -1.228 -15.349 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.330 -13.040 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.767 -15.396 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.910 -14.193 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.459 -13.715 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.778 -14.869 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.104 -13.059 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.913 -12.778 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.527 -10.981 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.697 -11.712 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.974 -9.788 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.602 -11.189 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.407 -10.480 -11.247 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.798 -12.789 -6.223 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.339 -11.835 -5.262 1.00 0.00 C ATOM 1060 C ALA A 66 -2.241 -10.939 -4.702 1.00 0.00 C ATOM 1061 O ALA A 66 -2.474 -9.768 -4.401 1.00 0.00 O ATOM 1062 CB ALA A 66 -4.050 -12.568 -4.135 1.00 0.00 C ATOM 0 H ALA A 66 -2.740 -13.748 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.059 -11.202 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.449 -11.844 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.867 -13.162 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.344 -13.225 -3.626 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.043 -11.498 -4.564 1.00 0.00 N ATOM 1069 CA LEU A 67 0.092 -10.751 -4.037 1.00 0.00 C ATOM 1070 C LEU A 67 0.648 -9.789 -5.083 1.00 0.00 C ATOM 1071 O LEU A 67 1.164 -8.723 -4.750 1.00 0.00 O ATOM 1072 CB LEU A 67 1.184 -11.712 -3.572 1.00 0.00 C ATOM 1073 CG LEU A 67 1.666 -11.498 -2.136 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.111 -10.058 -1.931 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.567 -11.865 -1.150 1.00 0.00 C ATOM 0 H LEU A 67 -0.834 -12.466 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.253 -10.164 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.813 -12.733 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.038 -11.620 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 67 2.522 -12.148 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.450 -9.925 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.928 -9.829 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.274 -9.387 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.924 -11.708 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.307 -11.238 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.295 -12.912 -1.281 1.00 0.00 H new ATOM 1087 N GLN A 68 0.541 -10.177 -6.350 1.00 0.00 N ATOM 1088 CA GLN A 68 1.035 -9.351 -7.447 1.00 0.00 C ATOM 1089 C GLN A 68 0.181 -8.100 -7.619 1.00 0.00 C ATOM 1090 O GLN A 68 0.695 -7.024 -7.924 1.00 0.00 O ATOM 1091 CB GLN A 68 1.049 -10.155 -8.749 1.00 0.00 C ATOM 1092 CG GLN A 68 2.333 -10.939 -8.964 1.00 0.00 C ATOM 1093 CD GLN A 68 2.545 -11.323 -10.415 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.882 -12.220 -10.937 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.475 -10.643 -11.077 1.00 0.00 N ATOM 0 H GLN A 68 0.117 -11.057 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 68 2.052 -9.042 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.206 -10.846 -8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.903 -9.475 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.180 -10.344 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.310 -11.841 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.001 -9.907 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.663 -10.857 -12.057 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.126 -8.246 -7.426 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.048 -7.124 -7.564 1.00 0.00 C ATOM 1106 C GLU A 69 -1.943 -6.182 -6.375 1.00 0.00 C ATOM 1107 O GLU A 69 -2.158 -4.978 -6.504 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.485 -7.624 -7.719 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.498 -6.509 -7.925 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.681 -6.152 -9.387 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.198 -7.000 -10.145 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.309 -5.024 -9.774 1.00 0.00 O ATOM 0 H GLU A 69 -1.570 -9.129 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.772 -6.572 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.533 -8.309 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.760 -8.194 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.457 -6.812 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.176 -5.624 -7.376 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.598 -6.733 -5.221 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.449 -5.935 -4.012 1.00 0.00 C ATOM 1121 C LEU A 70 -0.523 -4.752 -4.276 1.00 0.00 C ATOM 1122 O LEU A 70 -0.647 -3.699 -3.651 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.895 -6.793 -2.872 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.528 -6.537 -1.504 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.279 -7.713 -0.572 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.985 -5.251 -0.899 1.00 0.00 C ATOM 0 H LEU A 70 -1.416 -7.729 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.429 -5.558 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.032 -7.844 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.179 -6.621 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.604 -6.427 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.737 -7.513 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.716 -8.615 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.206 -7.855 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.446 -5.084 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.095 -5.333 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.215 -4.414 -1.558 1.00 0.00 H new ATOM 1138 N ARG A 71 0.408 -4.940 -5.208 1.00 0.00 N ATOM 1139 CA ARG A 71 1.360 -3.892 -5.560 1.00 0.00 C ATOM 1140 C ARG A 71 0.666 -2.739 -6.277 1.00 0.00 C ATOM 1141 O ARG A 71 0.979 -1.572 -6.043 1.00 0.00 O ATOM 1142 CB ARG A 71 2.470 -4.462 -6.446 1.00 0.00 C ATOM 1143 CG ARG A 71 3.551 -5.196 -5.669 1.00 0.00 C ATOM 1144 CD ARG A 71 4.886 -5.155 -6.396 1.00 0.00 C ATOM 1145 NE ARG A 71 5.569 -3.876 -6.217 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.664 -3.520 -6.883 1.00 0.00 C ATOM 1147 NH1 ARG A 71 7.204 -4.343 -7.774 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.222 -2.339 -6.660 1.00 0.00 N ATOM 0 H ARG A 71 0.523 -5.808 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 71 1.797 -3.510 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.029 -5.145 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.928 -3.649 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.659 -4.747 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.250 -6.233 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.523 -5.960 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.725 -5.334 -7.459 1.00 0.00 H new ATOM 0 HE ARG A 71 5.183 -3.217 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.779 -5.253 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.044 -4.065 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.812 -1.702 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.062 -2.067 -7.171 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.277 -3.073 -7.152 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.013 -2.064 -7.905 1.00 0.00 C ATOM 1164 C GLN A 72 -1.774 -1.130 -6.970 1.00 0.00 C ATOM 1165 O GLN A 72 -1.727 0.090 -7.121 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.987 -2.733 -8.878 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.329 -3.762 -9.784 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.817 -3.672 -11.217 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.177 -2.818 -12.007 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -2.757 -4.364 -11.610 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.549 -4.034 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.292 -1.473 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.781 -3.216 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.457 -1.966 -9.494 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.248 -3.622 -9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.529 -4.762 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.220 -5.007 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.072 -4.294 -12.577 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.476 -1.711 -6.002 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.246 -0.929 -5.043 1.00 0.00 C ATOM 1181 C GLU A 73 -2.343 0.021 -4.263 1.00 0.00 C ATOM 1182 O GLU A 73 -2.623 1.215 -4.161 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.986 -1.856 -4.075 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.864 -2.884 -4.769 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.283 -2.395 -4.977 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.474 -1.169 -5.110 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.204 -3.239 -5.005 1.00 0.00 O ATOM 0 H GLU A 73 -2.527 -2.720 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.973 -0.336 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.257 -2.374 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.603 -1.254 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.426 -3.137 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.882 -3.799 -4.177 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.259 -0.518 -3.714 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.315 0.282 -2.943 1.00 0.00 C ATOM 1196 C LEU A 74 0.444 1.253 -3.843 1.00 0.00 C ATOM 1197 O LEU A 74 0.800 2.354 -3.423 1.00 0.00 O ATOM 1198 CB LEU A 74 0.672 -0.627 -2.207 1.00 0.00 C ATOM 1199 CG LEU A 74 0.032 -1.663 -1.282 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.101 -2.501 -0.599 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.853 -0.979 -0.251 1.00 0.00 C ATOM 0 H LEU A 74 -1.013 -1.505 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.881 0.861 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.282 -1.149 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.346 -0.005 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.590 -2.326 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.627 -3.233 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.694 -3.019 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.749 -1.853 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.301 -1.730 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.252 -0.293 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.641 -0.423 -0.759 1.00 0.00 H new ATOM 1213 N ASN A 75 0.689 0.838 -5.081 1.00 0.00 N ATOM 1214 CA ASN A 75 1.407 1.671 -6.039 1.00 0.00 C ATOM 1215 C ASN A 75 0.689 3.001 -6.255 1.00 0.00 C ATOM 1216 O ASN A 75 1.300 4.067 -6.169 1.00 0.00 O ATOM 1217 CB ASN A 75 1.559 0.939 -7.374 1.00 0.00 C ATOM 1218 CG ASN A 75 2.363 1.734 -8.383 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.589 1.806 -8.299 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.675 2.336 -9.345 1.00 0.00 N ATOM 0 H ASN A 75 0.401 -0.070 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 75 2.396 1.876 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.044 -0.022 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.571 0.730 -7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.162 2.885 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.659 2.249 -9.376 1.00 0.00 H new ATOM 1227 N THR A 76 -0.607 2.931 -6.534 1.00 0.00 N ATOM 1228 CA THR A 76 -1.406 4.126 -6.761 1.00 0.00 C ATOM 1229 C THR A 76 -1.724 4.835 -5.455 1.00 0.00 C ATOM 1230 O THR A 76 -1.754 6.061 -5.402 1.00 0.00 O ATOM 1231 CB THR A 76 -2.704 3.791 -7.472 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.197 2.526 -7.064 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.582 3.782 -8.982 1.00 0.00 C ATOM 0 H THR A 76 -1.127 2.057 -6.608 1.00 0.00 H new ATOM 0 HA THR A 76 -0.812 4.789 -7.391 1.00 0.00 H new ATOM 0 HB THR A 76 -3.394 4.586 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.035 2.334 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.547 3.535 -9.424 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.266 4.766 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.844 3.038 -9.283 1.00 0.00 H new ATOM 1241 N LEU A 77 -1.975 4.062 -4.402 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.302 4.639 -3.103 1.00 0.00 C ATOM 1243 C LEU A 77 -1.273 5.702 -2.739 1.00 0.00 C ATOM 1244 O LEU A 77 -1.577 6.671 -2.042 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.339 3.552 -2.027 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.707 2.904 -1.809 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.549 1.465 -1.342 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.521 3.706 -0.804 1.00 0.00 C ATOM 0 H LEU A 77 -1.958 3.042 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.288 5.099 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.624 2.774 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.004 3.984 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.241 2.899 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.533 1.021 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.005 0.896 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.996 1.446 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.492 3.231 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.991 3.742 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.665 4.720 -1.178 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.060 5.517 -3.238 1.00 0.00 N ATOM 1261 CA ALA A 78 1.021 6.458 -3.007 1.00 0.00 C ATOM 1262 C ALA A 78 0.809 7.754 -3.794 1.00 0.00 C ATOM 1263 O ALA A 78 1.287 8.813 -3.387 1.00 0.00 O ATOM 1264 CB ALA A 78 2.356 5.828 -3.374 1.00 0.00 C ATOM 0 H ALA A 78 0.200 4.714 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 78 1.027 6.708 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.158 6.545 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.520 4.941 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.348 5.547 -4.427 1.00 0.00 H new ATOM 1270 N ASN A 79 0.116 7.667 -4.937 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.111 8.848 -5.774 1.00 0.00 C ATOM 1272 C ASN A 79 -0.797 9.974 -4.997 1.00 0.00 C ATOM 1273 O ASN A 79 -0.287 11.093 -4.942 1.00 0.00 O ATOM 1274 CB ASN A 79 -0.945 8.476 -7.003 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.294 8.920 -8.298 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.647 9.956 -8.860 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.664 8.135 -8.780 1.00 0.00 N ATOM 0 H ASN A 79 -0.291 6.804 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 79 0.865 9.213 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.093 7.396 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.932 8.931 -6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.138 8.383 -9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.925 7.284 -8.281 1.00 0.00 H new ATOM 1284 N PRO A 80 -1.962 9.700 -4.383 1.00 0.00 N ATOM 1285 CA PRO A 80 -2.698 10.708 -3.612 1.00 0.00 C ATOM 1286 C PRO A 80 -1.823 11.391 -2.567 1.00 0.00 C ATOM 1287 O PRO A 80 -1.822 12.616 -2.448 1.00 0.00 O ATOM 1288 CB PRO A 80 -3.804 9.900 -2.931 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.001 8.710 -3.804 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.656 8.401 -4.400 1.00 0.00 C ATOM 0 HA PRO A 80 -3.068 11.513 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.515 9.606 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.722 10.482 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.376 7.863 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.734 8.916 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.121 7.653 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.747 8.008 -5.413 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.079 10.590 -1.811 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.199 11.116 -0.775 1.00 0.00 C ATOM 1300 C PHE A 81 0.854 12.045 -1.373 1.00 0.00 C ATOM 1301 O PHE A 81 1.044 13.167 -0.903 1.00 0.00 O ATOM 1302 CB PHE A 81 0.483 9.969 -0.027 1.00 0.00 C ATOM 1303 CG PHE A 81 1.359 10.427 1.104 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.814 11.067 2.205 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.728 10.217 1.066 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.617 11.489 3.247 1.00 0.00 C ATOM 1307 CE2 PHE A 81 3.537 10.636 2.106 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.981 11.274 3.197 1.00 0.00 C ATOM 0 H PHE A 81 -1.068 9.574 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.806 11.689 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.280 9.297 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.084 9.393 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.251 11.238 2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.168 9.720 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.179 11.986 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.603 10.464 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.611 11.604 4.010 1.00 0.00 H new ATOM 1318 N LEU A 82 1.535 11.570 -2.410 1.00 0.00 N ATOM 1319 CA LEU A 82 2.568 12.359 -3.072 1.00 0.00 C ATOM 1320 C LEU A 82 1.964 13.575 -3.766 1.00 0.00 C ATOM 1321 O LEU A 82 2.556 14.655 -3.772 1.00 0.00 O ATOM 1322 CB LEU A 82 3.322 11.500 -4.088 1.00 0.00 C ATOM 1323 CG LEU A 82 4.426 10.619 -3.501 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.820 9.529 -4.485 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.635 11.462 -3.124 1.00 0.00 C ATOM 0 H LEU A 82 1.391 10.643 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 82 3.266 12.708 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.605 10.861 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.763 12.156 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 82 4.043 10.143 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.606 8.913 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.952 8.907 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.184 9.984 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.411 10.820 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.018 11.966 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.343 12.205 -2.382 1.00 0.00 H new ATOM 1337 N ALA A 83 0.784 13.392 -4.349 1.00 0.00 N ATOM 1338 CA ALA A 83 0.102 14.475 -5.046 1.00 0.00 C ATOM 1339 C ALA A 83 -0.353 15.557 -4.072 1.00 0.00 C ATOM 1340 O ALA A 83 -0.308 16.747 -4.383 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.087 13.933 -5.826 1.00 0.00 C ATOM 0 H ALA A 83 0.281 12.505 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 83 0.808 14.925 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.588 14.752 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.740 13.202 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.786 13.456 -5.139 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.793 15.134 -2.890 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.257 16.068 -1.870 1.00 0.00 C ATOM 1349 C LYS A 84 -0.120 16.966 -1.394 1.00 0.00 C ATOM 1350 O LYS A 84 -0.218 18.191 -1.451 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.849 15.304 -0.684 1.00 0.00 C ATOM 1352 CG LYS A 84 -2.970 16.051 0.022 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.069 15.106 0.479 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.446 15.719 0.288 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.457 14.702 -0.114 1.00 0.00 N ATOM 0 H LYS A 84 -0.838 14.153 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.029 16.697 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.227 14.343 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.056 15.092 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.567 16.585 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.389 16.800 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.004 14.173 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.923 14.858 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.762 16.198 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.394 16.499 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.382 15.161 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.169 14.263 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.526 13.971 0.623 1.00 0.00 H new ATOM 1369 N TYR A 85 0.961 16.348 -0.926 1.00 0.00 N ATOM 1370 CA TYR A 85 2.116 17.093 -0.441 1.00 0.00 C ATOM 1371 C TYR A 85 2.725 17.939 -1.554 1.00 0.00 C ATOM 1372 O TYR A 85 3.099 19.092 -1.336 1.00 0.00 O ATOM 1373 CB TYR A 85 3.168 16.133 0.122 1.00 0.00 C ATOM 1374 CG TYR A 85 3.111 15.985 1.625 1.00 0.00 C ATOM 1375 CD1 TYR A 85 2.985 17.099 2.447 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.184 14.734 2.223 1.00 0.00 C ATOM 1377 CE1 TYR A 85 2.934 16.968 3.822 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.132 14.596 3.597 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.008 15.715 4.392 1.00 0.00 C ATOM 1380 OH TYR A 85 2.956 15.581 5.760 1.00 0.00 O ATOM 0 H TYR A 85 1.060 15.334 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 85 1.780 17.760 0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.035 15.153 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.159 16.486 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.926 18.082 2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.283 13.854 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.837 17.843 4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.188 13.615 4.046 1.00 0.00 H new ATOM 0 HH TYR A 85 3.020 14.633 5.998 1.00 0.00 H new ATOM 1390 N ARG A 86 2.821 17.361 -2.747 1.00 0.00 N ATOM 1391 CA ARG A 86 3.384 18.062 -3.893 1.00 0.00 C ATOM 1392 C ARG A 86 2.583 19.323 -4.207 1.00 0.00 C ATOM 1393 O ARG A 86 3.130 20.312 -4.695 1.00 0.00 O ATOM 1394 CB ARG A 86 3.412 17.144 -5.116 1.00 0.00 C ATOM 1395 CG ARG A 86 4.663 16.285 -5.203 1.00 0.00 C ATOM 1396 CD ARG A 86 5.100 16.080 -6.645 1.00 0.00 C ATOM 1397 NE ARG A 86 5.905 14.871 -6.805 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.688 14.636 -7.856 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.774 15.522 -8.840 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.387 13.511 -7.922 1.00 0.00 N ATOM 0 H ARG A 86 2.516 16.408 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 86 4.404 18.354 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.537 16.495 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.335 17.751 -6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.469 16.757 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.474 15.317 -4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.220 16.017 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.675 16.945 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 86 5.865 14.166 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.239 16.389 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.376 15.336 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.324 12.827 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.987 13.330 -8.727 1.00 0.00 H new ATOM 1414 N ASP A 87 1.286 19.280 -3.924 1.00 0.00 N ATOM 1415 CA ASP A 87 0.411 20.420 -4.176 1.00 0.00 C ATOM 1416 C ASP A 87 0.571 21.479 -3.091 1.00 0.00 C ATOM 1417 O ASP A 87 0.504 22.678 -3.364 1.00 0.00 O ATOM 1418 CB ASP A 87 -1.048 19.963 -4.248 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.872 20.806 -5.202 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -2.272 21.923 -4.812 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -2.114 20.350 -6.339 1.00 0.00 O ATOM 0 H ASP A 87 0.817 18.469 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 87 0.695 20.860 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.084 18.921 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.490 20.009 -3.253 1.00 0.00 H new ATOM 1426 N PHE A 88 0.782 21.028 -1.858 1.00 0.00 N ATOM 1427 CA PHE A 88 0.953 21.938 -0.731 1.00 0.00 C ATOM 1428 C PHE A 88 2.363 22.520 -0.711 1.00 0.00 C ATOM 1429 O PHE A 88 2.541 23.739 -0.709 1.00 0.00 O ATOM 1430 CB PHE A 88 0.668 21.210 0.584 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.724 21.432 1.104 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -1.203 22.715 1.314 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.554 20.358 1.383 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.483 22.923 1.791 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -2.834 20.559 1.861 1.00 0.00 C ATOM 1436 CZ PHE A 88 -3.300 21.843 2.066 1.00 0.00 C ATOM 0 H PHE A 88 0.839 20.039 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 88 0.244 22.758 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.827 20.141 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.385 21.541 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.568 23.563 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.196 19.352 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.844 23.928 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.470 19.713 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.300 22.002 2.440 1.00 0.00 H new ATOM 1446 N LEU A 89 3.360 21.643 -0.694 1.00 0.00 N ATOM 1447 CA LEU A 89 4.754 22.069 -0.673 1.00 0.00 C ATOM 1448 C LEU A 89 5.554 21.362 -1.762 1.00 0.00 C ATOM 1449 O LEU A 89 5.052 20.458 -2.429 1.00 0.00 O ATOM 1450 CB LEU A 89 5.375 21.788 0.696 1.00 0.00 C ATOM 1451 CG LEU A 89 5.328 20.326 1.141 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.571 19.585 0.676 1.00 0.00 C ATOM 1453 CD2 LEU A 89 5.186 20.233 2.654 1.00 0.00 C ATOM 0 H LEU A 89 3.229 20.632 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 89 4.783 23.142 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.415 22.114 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.862 22.395 1.442 1.00 0.00 H new ATOM 0 HG LEU A 89 4.457 19.856 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.519 18.546 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.630 19.621 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.456 20.056 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.154 19.185 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.037 20.720 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.265 20.727 2.964 1.00 0.00 H new ATOM 1465 N LYS A 90 6.804 21.781 -1.938 1.00 0.00 N ATOM 1466 CA LYS A 90 7.673 21.188 -2.946 1.00 0.00 C ATOM 1467 C LYS A 90 7.873 19.698 -2.685 1.00 0.00 C ATOM 1468 O LYS A 90 7.394 18.886 -3.504 1.00 0.00 O ATOM 1469 CB LYS A 90 9.028 21.900 -2.965 1.00 0.00 C ATOM 1470 CG LYS A 90 9.947 21.429 -4.080 1.00 0.00 C ATOM 1471 CD LYS A 90 11.410 21.559 -3.688 1.00 0.00 C ATOM 1472 CE LYS A 90 12.305 20.732 -4.595 1.00 0.00 C ATOM 1473 NZ LYS A 90 12.457 21.351 -5.941 1.00 0.00 N ATOM 1474 OXT LYS A 90 8.507 19.358 -1.665 1.00 1.00 O ATOM 0 H LYS A 90 7.236 22.529 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 90 7.193 21.307 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.864 22.973 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.524 21.745 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.725 20.390 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.757 22.013 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.709 22.606 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.541 21.238 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.286 20.621 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.888 19.731 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.075 20.756 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.524 21.433 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.879 22.297 -5.843 1.00 0.00 H new