USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 1 MET CE :methyl -109:sc= -0.0501 (180deg=-1.73) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.161) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= -0.701 (180deg=-1.81!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00312 X(o=-0.0031,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.111 (180deg=-0.311) USER MOD Single : A 15 ASN : amide:sc= 0.32 X(o=0.32,f=0) USER MOD Single : A 16 TYR OH : rot -31:sc= -1.81 USER MOD Single : A 17 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.066) USER MOD Single : A 20 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -3.41! (180deg=-3.68!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -154:sc= -0.179 (180deg=-1.2) USER MOD Single : B 1 MET N :NH3+ -169:sc= -0.0918 (180deg=-0.231) USER MOD Single : B 5 LYS NZ :NH3+ 154:sc= 0.435 (180deg=0.16) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -136:sc= -0.296 (180deg=-1.34!) USER MOD Single : B 8 MET CE :methyl -154:sc= -0.125 (180deg=-0.654) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.563 K(o=-0.56,f=-0.0027) USER MOD Single : B 16 TYR OH : rot 30:sc= -0.661 USER MOD Single : B 17 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.5!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.619 -11.471 16.889 1.00 0.00 N ATOM 2 CA MET A 1 9.268 -11.367 15.593 1.00 0.00 C ATOM 3 C MET A 1 8.631 -12.368 14.626 1.00 0.00 C ATOM 4 O MET A 1 8.433 -12.013 13.455 1.00 0.00 O ATOM 5 CB MET A 1 10.763 -11.663 15.722 1.00 0.00 C ATOM 6 CG MET A 1 11.574 -10.831 14.725 1.00 0.00 C ATOM 7 SD MET A 1 13.052 -11.751 14.206 1.00 0.00 S ATOM 8 CE MET A 1 13.725 -10.598 12.974 1.00 0.00 C ATOM 0 H1 MET A 1 8.901 -10.666 17.484 1.00 0.00 H new ATOM 0 H2 MET A 1 7.587 -11.463 16.762 1.00 0.00 H new ATOM 0 H3 MET A 1 8.904 -12.359 17.350 1.00 0.00 H new ATOM 0 HA MET A 1 9.142 -10.353 15.213 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.094 -11.445 16.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.944 -12.724 15.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.961 -10.591 13.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.866 -9.885 15.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.597 -11.016 11.976 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.197 -9.647 13.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.786 -10.438 13.167 1.00 0.00 H new ATOM 18 N ASP A 2 8.327 -13.579 15.127 1.00 0.00 N ATOM 19 CA ASP A 2 7.719 -14.618 14.314 1.00 0.00 C ATOM 20 C ASP A 2 6.501 -14.042 13.587 1.00 0.00 C ATOM 21 O ASP A 2 6.256 -14.443 12.439 1.00 0.00 O ATOM 22 CB ASP A 2 7.243 -15.787 15.178 1.00 0.00 C ATOM 23 CG ASP A 2 8.278 -16.318 16.172 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.962 -15.544 16.858 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.370 -17.604 16.229 1.00 0.00 O ATOM 0 H ASP A 2 8.498 -13.851 16.095 1.00 0.00 H new ATOM 0 HA ASP A 2 8.468 -14.974 13.607 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.357 -15.474 15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.938 -16.603 14.523 1.00 0.00 H new ATOM 30 N ALA A 3 5.776 -13.129 14.256 1.00 0.00 N ATOM 31 CA ALA A 3 4.597 -12.508 13.677 1.00 0.00 C ATOM 32 C ALA A 3 5.007 -11.224 12.953 1.00 0.00 C ATOM 33 O ALA A 3 4.201 -10.709 12.162 1.00 0.00 O ATOM 34 CB ALA A 3 3.638 -12.084 14.792 1.00 0.00 C ATOM 0 H ALA A 3 5.996 -12.812 15.200 1.00 0.00 H new ATOM 0 HA ALA A 3 4.128 -13.222 13.000 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.755 -11.619 14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.339 -12.960 15.368 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.136 -11.371 15.449 1.00 0.00 H new ATOM 40 N ILE A 4 6.230 -10.739 13.232 1.00 0.00 N ATOM 41 CA ILE A 4 6.738 -9.528 12.611 1.00 0.00 C ATOM 42 C ILE A 4 7.187 -9.841 11.183 1.00 0.00 C ATOM 43 O ILE A 4 6.837 -9.075 10.273 1.00 0.00 O ATOM 44 CB ILE A 4 7.834 -8.902 13.477 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.287 -8.503 14.850 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.494 -7.723 12.758 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.718 -7.082 15.220 1.00 0.00 C ATOM 0 H ILE A 4 6.878 -11.177 13.887 1.00 0.00 H new ATOM 0 HA ILE A 4 5.951 -8.777 12.540 1.00 0.00 H new ATOM 0 HB ILE A 4 8.608 -9.651 13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.199 -8.567 14.845 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.644 -9.203 15.605 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.269 -7.296 13.395 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.940 -8.069 11.826 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.743 -6.963 12.541 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.316 -6.823 16.200 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.806 -7.028 15.248 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.339 -6.381 14.476 1.00 0.00 H new ATOM 59 N LYS A 5 7.940 -10.943 11.016 1.00 0.00 N ATOM 60 CA LYS A 5 8.430 -11.351 9.711 1.00 0.00 C ATOM 61 C LYS A 5 7.250 -11.473 8.743 1.00 0.00 C ATOM 62 O LYS A 5 7.428 -11.168 7.555 1.00 0.00 O ATOM 63 CB LYS A 5 9.264 -12.628 9.826 1.00 0.00 C ATOM 64 CG LYS A 5 8.863 -13.435 11.062 1.00 0.00 C ATOM 65 CD LYS A 5 9.045 -14.935 10.821 1.00 0.00 C ATOM 66 CE LYS A 5 10.449 -15.390 11.226 1.00 0.00 C ATOM 67 NZ LYS A 5 10.847 -16.581 10.457 1.00 0.00 N ATOM 0 H LYS A 5 8.217 -11.561 11.779 1.00 0.00 H new ATOM 0 HA LYS A 5 9.101 -10.595 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.130 -13.236 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.322 -12.372 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.466 -13.124 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.823 -13.227 11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.300 -15.491 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.875 -15.161 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.162 -14.584 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.472 -15.614 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.802 -16.876 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.176 -17.354 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.845 -16.355 9.442 1.00 0.00 H new ATOM 81 N LYS A 6 6.088 -11.909 9.262 1.00 0.00 N ATOM 82 CA LYS A 6 4.895 -12.069 8.450 1.00 0.00 C ATOM 83 C LYS A 6 4.136 -10.740 8.398 1.00 0.00 C ATOM 84 O LYS A 6 3.486 -10.471 7.378 1.00 0.00 O ATOM 85 CB LYS A 6 4.051 -13.238 8.961 1.00 0.00 C ATOM 86 CG LYS A 6 4.930 -14.447 9.284 1.00 0.00 C ATOM 87 CD LYS A 6 4.092 -15.604 9.832 1.00 0.00 C ATOM 88 CE LYS A 6 4.547 -16.940 9.241 1.00 0.00 C ATOM 89 NZ LYS A 6 5.075 -17.819 10.297 1.00 0.00 N ATOM 0 H LYS A 6 5.962 -12.154 10.244 1.00 0.00 H new ATOM 0 HA LYS A 6 5.164 -12.324 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.503 -12.933 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.310 -13.512 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.457 -14.769 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.688 -14.165 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.176 -15.636 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.040 -15.438 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.710 -17.426 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.314 -16.768 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.379 -18.721 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.887 -17.360 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.333 -17.998 11.003 1.00 0.00 H new ATOM 103 N LYS A 7 4.233 -9.949 9.482 1.00 0.00 N ATOM 104 CA LYS A 7 3.561 -8.663 9.559 1.00 0.00 C ATOM 105 C LYS A 7 3.904 -7.838 8.317 1.00 0.00 C ATOM 106 O LYS A 7 2.978 -7.300 7.693 1.00 0.00 O ATOM 107 CB LYS A 7 3.897 -7.961 10.876 1.00 0.00 C ATOM 108 CG LYS A 7 3.196 -6.605 10.969 1.00 0.00 C ATOM 109 CD LYS A 7 1.725 -6.719 10.568 1.00 0.00 C ATOM 110 CE LYS A 7 0.912 -5.548 11.123 1.00 0.00 C ATOM 111 NZ LYS A 7 0.200 -4.854 10.038 1.00 0.00 N ATOM 0 H LYS A 7 4.774 -10.189 10.312 1.00 0.00 H new ATOM 0 HA LYS A 7 2.479 -8.798 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.595 -8.589 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.975 -7.823 10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.270 -6.222 11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.698 -5.887 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.641 -6.741 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.315 -7.659 10.939 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.197 -5.912 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.573 -4.850 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.193 -3.831 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.681 -5.037 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.778 -5.203 9.986 1.00 0.00 H new ATOM 125 N MET A 8 5.206 -7.757 7.989 1.00 0.00 N ATOM 126 CA MET A 8 5.662 -7.004 6.834 1.00 0.00 C ATOM 127 C MET A 8 5.255 -7.741 5.557 1.00 0.00 C ATOM 128 O MET A 8 5.126 -7.084 4.512 1.00 0.00 O ATOM 129 CB MET A 8 7.184 -6.845 6.868 1.00 0.00 C ATOM 130 CG MET A 8 7.872 -8.200 7.045 1.00 0.00 C ATOM 131 SD MET A 8 9.658 -7.965 7.276 1.00 0.00 S ATOM 132 CE MET A 8 10.276 -8.704 5.736 1.00 0.00 C ATOM 0 H MET A 8 5.953 -8.209 8.516 1.00 0.00 H new ATOM 0 HA MET A 8 5.205 -6.015 6.853 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.525 -6.378 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.466 -6.180 7.685 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.451 -8.721 7.905 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.689 -8.827 6.172 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.364 -8.643 5.714 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.970 -9.749 5.685 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.865 -8.164 4.883 1.00 0.00 H new ATOM 142 N GLN A 9 5.062 -9.067 5.663 1.00 0.00 N ATOM 143 CA GLN A 9 4.673 -9.882 4.524 1.00 0.00 C ATOM 144 C GLN A 9 3.201 -9.624 4.197 1.00 0.00 C ATOM 145 O GLN A 9 2.820 -9.782 3.028 1.00 0.00 O ATOM 146 CB GLN A 9 4.924 -11.369 4.785 1.00 0.00 C ATOM 147 CG GLN A 9 6.397 -11.722 4.566 1.00 0.00 C ATOM 148 CD GLN A 9 6.554 -13.188 4.158 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.288 -13.578 3.032 1.00 0.00 O ATOM 150 NE2 GLN A 9 6.998 -13.977 5.131 1.00 0.00 N ATOM 0 H GLN A 9 5.172 -9.588 6.533 1.00 0.00 H new ATOM 0 HA GLN A 9 5.287 -9.602 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.635 -11.617 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.300 -11.969 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.818 -11.079 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.960 -11.533 5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.202 -13.587 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.135 -14.973 4.958 1.00 0.00 H new ATOM 159 N MET A 10 2.416 -9.239 5.219 1.00 0.00 N ATOM 160 CA MET A 10 1.000 -8.963 5.041 1.00 0.00 C ATOM 161 C MET A 10 0.830 -7.567 4.436 1.00 0.00 C ATOM 162 O MET A 10 -0.067 -7.395 3.597 1.00 0.00 O ATOM 163 CB MET A 10 0.271 -9.030 6.384 1.00 0.00 C ATOM 164 CG MET A 10 0.791 -10.193 7.231 1.00 0.00 C ATOM 165 SD MET A 10 -0.604 -11.129 7.924 1.00 0.00 S ATOM 166 CE MET A 10 0.137 -12.786 8.007 1.00 0.00 C ATOM 0 H MET A 10 2.750 -9.115 6.175 1.00 0.00 H new ATOM 0 HA MET A 10 0.574 -9.711 4.373 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.408 -8.093 6.923 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.799 -9.148 6.216 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.412 -10.849 6.621 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.421 -9.814 8.036 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.590 -13.490 8.413 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.430 -13.104 7.006 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.016 -12.760 8.651 1.00 0.00 H new ATOM 176 N LEU A 11 1.678 -6.617 4.866 1.00 0.00 N ATOM 177 CA LEU A 11 1.620 -5.253 4.370 1.00 0.00 C ATOM 178 C LEU A 11 2.261 -5.191 2.982 1.00 0.00 C ATOM 179 O LEU A 11 1.883 -4.309 2.197 1.00 0.00 O ATOM 180 CB LEU A 11 2.248 -4.289 5.379 1.00 0.00 C ATOM 181 CG LEU A 11 1.616 -4.271 6.773 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.199 -3.142 7.626 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.091 -4.190 6.681 1.00 0.00 C ATOM 0 H LEU A 11 2.409 -6.781 5.558 1.00 0.00 H new ATOM 0 HA LEU A 11 0.584 -4.933 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.303 -4.541 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.200 -3.281 4.967 1.00 0.00 H new ATOM 0 HG LEU A 11 1.860 -5.209 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.733 -3.152 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.274 -3.284 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.006 -2.184 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.334 -4.179 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.194 -3.278 6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.287 -5.055 6.137 1.00 0.00 H new ATOM 195 N LYS A 12 3.201 -6.113 2.711 1.00 0.00 N ATOM 196 CA LYS A 12 3.885 -6.163 1.431 1.00 0.00 C ATOM 197 C LYS A 12 2.950 -6.769 0.382 1.00 0.00 C ATOM 198 O LYS A 12 3.038 -6.369 -0.789 1.00 0.00 O ATOM 199 CB LYS A 12 5.220 -6.900 1.564 1.00 0.00 C ATOM 200 CG LYS A 12 6.353 -5.927 1.892 1.00 0.00 C ATOM 201 CD LYS A 12 7.310 -5.778 0.708 1.00 0.00 C ATOM 202 CE LYS A 12 8.509 -4.905 1.078 1.00 0.00 C ATOM 203 NZ LYS A 12 8.564 -3.710 0.221 1.00 0.00 N ATOM 0 H LYS A 12 3.497 -6.831 3.372 1.00 0.00 H new ATOM 0 HA LYS A 12 4.135 -5.157 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.146 -7.655 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.444 -7.425 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.937 -4.954 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.901 -6.283 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.656 -6.761 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.782 -5.337 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.439 -4.606 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.430 -5.478 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.227 -3.020 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.887 -3.979 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.617 -3.285 0.157 1.00 0.00 H new ATOM 217 N LEU A 13 2.088 -7.707 0.814 1.00 0.00 N ATOM 218 CA LEU A 13 1.148 -8.359 -0.082 1.00 0.00 C ATOM 219 C LEU A 13 0.048 -7.369 -0.470 1.00 0.00 C ATOM 220 O LEU A 13 -0.339 -7.348 -1.648 1.00 0.00 O ATOM 221 CB LEU A 13 0.618 -9.651 0.545 1.00 0.00 C ATOM 222 CG LEU A 13 0.063 -10.691 -0.429 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.956 -11.600 0.260 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.518 -10.020 -1.675 1.00 0.00 C ATOM 0 H LEU A 13 2.032 -8.023 1.782 1.00 0.00 H new ATOM 0 HA LEU A 13 1.647 -8.659 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.424 -10.111 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.168 -9.391 1.255 1.00 0.00 H new ATOM 0 HG LEU A 13 0.887 -11.324 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.335 -12.330 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.477 -12.120 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.783 -10.999 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.906 -10.782 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.326 -9.348 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.263 -9.451 -2.179 1.00 0.00 H new ATOM 236 N ASP A 14 -0.426 -6.580 0.511 1.00 0.00 N ATOM 237 CA ASP A 14 -1.470 -5.598 0.273 1.00 0.00 C ATOM 238 C ASP A 14 -0.905 -4.454 -0.570 1.00 0.00 C ATOM 239 O ASP A 14 -1.673 -3.847 -1.331 1.00 0.00 O ATOM 240 CB ASP A 14 -1.981 -5.008 1.590 1.00 0.00 C ATOM 241 CG ASP A 14 -3.499 -4.840 1.676 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.252 -5.825 1.655 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.908 -3.621 1.771 1.00 0.00 O ATOM 0 H ASP A 14 -0.094 -6.613 1.475 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.291 -6.096 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.654 -5.649 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.514 -4.035 1.741 1.00 0.00 H new ATOM 248 N ASN A 15 0.404 -4.186 -0.422 1.00 0.00 N ATOM 249 CA ASN A 15 1.063 -3.125 -1.165 1.00 0.00 C ATOM 250 C ASN A 15 1.025 -3.455 -2.658 1.00 0.00 C ATOM 251 O ASN A 15 0.637 -2.581 -3.446 1.00 0.00 O ATOM 252 CB ASN A 15 2.528 -2.986 -0.748 1.00 0.00 C ATOM 253 CG ASN A 15 3.050 -1.577 -1.036 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.507 -1.266 -2.123 1.00 0.00 O ATOM 255 ND2 ASN A 15 2.957 -0.745 -0.002 1.00 0.00 N ATOM 0 H ASN A 15 1.019 -4.698 0.211 1.00 0.00 H new ATOM 0 HA ASN A 15 0.540 -2.192 -0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.629 -3.205 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.133 -3.718 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.279 0.219 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.564 -1.071 0.881 1.00 0.00 H new ATOM 262 N TYR A 16 1.425 -4.689 -3.012 1.00 0.00 N ATOM 263 CA TYR A 16 1.418 -5.064 -4.416 1.00 0.00 C ATOM 264 C TYR A 16 -0.011 -4.969 -4.957 1.00 0.00 C ATOM 265 O TYR A 16 -0.166 -4.583 -6.125 1.00 0.00 O ATOM 266 CB TYR A 16 2.003 -6.477 -4.590 1.00 0.00 C ATOM 267 CG TYR A 16 3.235 -6.759 -3.741 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.159 -5.727 -3.455 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.465 -8.061 -3.238 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.301 -5.994 -2.671 1.00 0.00 C ATOM 271 CE2 TYR A 16 4.607 -8.327 -2.454 1.00 0.00 C ATOM 272 CZ TYR A 16 5.527 -7.294 -2.169 1.00 0.00 C ATOM 273 OH TYR A 16 6.630 -7.557 -1.408 1.00 0.00 O ATOM 0 H TYR A 16 1.744 -5.411 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 16 2.045 -4.380 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.233 -7.208 -4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.259 -6.624 -5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.990 -4.731 -3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.764 -8.854 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.003 -5.203 -2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.778 -9.322 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 16 7.367 -6.974 -1.688 1.00 0.00 H new ATOM 283 N HIS A 17 -1.004 -5.323 -4.123 1.00 0.00 N ATOM 284 CA HIS A 17 -2.400 -5.284 -4.527 1.00 0.00 C ATOM 285 C HIS A 17 -2.855 -3.827 -4.631 1.00 0.00 C ATOM 286 O HIS A 17 -3.688 -3.530 -5.500 1.00 0.00 O ATOM 287 CB HIS A 17 -3.269 -6.110 -3.577 1.00 0.00 C ATOM 288 CG HIS A 17 -4.487 -5.378 -3.067 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.670 -5.303 -3.780 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.692 -4.691 -1.906 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.542 -4.600 -3.072 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.934 -4.221 -1.911 1.00 0.00 N ATOM 0 H HIS A 17 -0.854 -5.639 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.512 -5.740 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.591 -7.016 -4.090 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.663 -6.423 -2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.967 -4.553 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.556 -4.368 -3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.363 -3.668 -1.169 1.00 0.00 H new ATOM 300 N LEU A 18 -2.307 -2.961 -3.760 1.00 0.00 N ATOM 301 CA LEU A 18 -2.656 -1.550 -3.754 1.00 0.00 C ATOM 302 C LEU A 18 -1.942 -0.849 -4.913 1.00 0.00 C ATOM 303 O LEU A 18 -2.580 -0.023 -5.584 1.00 0.00 O ATOM 304 CB LEU A 18 -2.362 -0.931 -2.386 1.00 0.00 C ATOM 305 CG LEU A 18 -3.290 -1.353 -1.245 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.633 -1.110 0.115 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.648 -0.657 -1.359 1.00 0.00 C ATOM 0 H LEU A 18 -1.620 -3.225 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.727 -1.421 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.339 -1.183 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.408 0.154 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.469 -2.425 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.314 -1.418 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.712 -1.688 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.405 -0.050 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.289 -0.974 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.508 0.423 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.115 -0.924 -2.307 1.00 0.00 H new ATOM 319 N GLU A 19 -0.657 -1.185 -5.120 1.00 0.00 N ATOM 320 CA GLU A 19 0.132 -0.592 -6.187 1.00 0.00 C ATOM 321 C GLU A 19 -0.459 -1.000 -7.539 1.00 0.00 C ATOM 322 O GLU A 19 -0.458 -0.168 -8.457 1.00 0.00 O ATOM 323 CB GLU A 19 1.604 -0.995 -6.088 1.00 0.00 C ATOM 324 CG GLU A 19 2.516 0.228 -6.213 1.00 0.00 C ATOM 325 CD GLU A 19 3.632 -0.024 -7.230 1.00 0.00 C ATOM 326 OE1 GLU A 19 3.359 -0.475 -8.352 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.819 0.270 -6.821 1.00 0.00 O ATOM 0 H GLU A 19 -0.151 -1.867 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 19 0.093 0.493 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.785 -1.493 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.842 -1.713 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.929 1.094 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.950 0.463 -5.241 1.00 0.00 H new ATOM 334 N ASN A 20 -0.941 -2.252 -7.632 1.00 0.00 N ATOM 335 CA ASN A 20 -1.528 -2.761 -8.860 1.00 0.00 C ATOM 336 C ASN A 20 -2.829 -2.010 -9.149 1.00 0.00 C ATOM 337 O ASN A 20 -3.189 -1.887 -10.329 1.00 0.00 O ATOM 338 CB ASN A 20 -1.860 -4.249 -8.735 1.00 0.00 C ATOM 339 CG ASN A 20 -0.693 -5.114 -9.217 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.166 -4.680 -9.967 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.710 -6.358 -8.746 1.00 0.00 N ATOM 0 H ASN A 20 -0.930 -2.922 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.805 -2.618 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.090 -4.488 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.752 -4.477 -9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.026 -7.013 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.459 -6.657 -8.121 1.00 0.00 H new ATOM 348 N GLU A 21 -3.496 -1.529 -8.085 1.00 0.00 N ATOM 349 CA GLU A 21 -4.743 -0.797 -8.225 1.00 0.00 C ATOM 350 C GLU A 21 -4.437 0.673 -8.518 1.00 0.00 C ATOM 351 O GLU A 21 -5.169 1.279 -9.315 1.00 0.00 O ATOM 352 CB GLU A 21 -5.618 -0.935 -6.977 1.00 0.00 C ATOM 353 CG GLU A 21 -7.089 -1.123 -7.357 1.00 0.00 C ATOM 354 CD GLU A 21 -7.366 -2.568 -7.778 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.618 -3.453 -7.213 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.255 -2.812 -8.607 1.00 0.00 O ATOM 0 H GLU A 21 -3.182 -1.641 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.305 -1.221 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.280 -1.785 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.510 -0.048 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.724 -0.859 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.347 -0.447 -8.172 1.00 0.00 H new ATOM 363 N VAL A 22 -3.379 1.207 -7.882 1.00 0.00 N ATOM 364 CA VAL A 22 -2.983 2.592 -8.075 1.00 0.00 C ATOM 365 C VAL A 22 -2.266 2.729 -9.420 1.00 0.00 C ATOM 366 O VAL A 22 -2.501 3.729 -10.113 1.00 0.00 O ATOM 367 CB VAL A 22 -2.132 3.062 -6.894 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.437 4.387 -7.211 1.00 0.00 C ATOM 369 CG2 VAL A 22 -2.976 3.175 -5.621 1.00 0.00 C ATOM 0 H VAL A 22 -2.789 0.690 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.859 3.240 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.359 2.313 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.839 4.698 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.790 4.260 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.186 5.149 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.347 3.511 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.780 3.893 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.402 2.201 -5.379 1.00 0.00 H new ATOM 379 N ALA A 23 -1.420 1.739 -9.756 1.00 0.00 N ATOM 380 CA ALA A 23 -0.678 1.752 -11.005 1.00 0.00 C ATOM 381 C ALA A 23 -1.655 1.609 -12.175 1.00 0.00 C ATOM 382 O ALA A 23 -1.284 1.972 -13.300 1.00 0.00 O ATOM 383 CB ALA A 23 0.246 0.533 -11.067 1.00 0.00 C ATOM 0 H ALA A 23 -1.241 0.923 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.113 2.683 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.802 0.545 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.945 0.563 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.349 -0.378 -11.010 1.00 0.00 H new ATOM 389 N ARG A 24 -2.864 1.091 -11.890 1.00 0.00 N ATOM 390 CA ARG A 24 -3.881 0.904 -12.911 1.00 0.00 C ATOM 391 C ARG A 24 -4.791 2.134 -12.949 1.00 0.00 C ATOM 392 O ARG A 24 -5.322 2.441 -14.026 1.00 0.00 O ATOM 393 CB ARG A 24 -4.728 -0.340 -12.640 1.00 0.00 C ATOM 394 CG ARG A 24 -4.104 -1.579 -13.284 1.00 0.00 C ATOM 395 CD ARG A 24 -4.839 -2.851 -12.853 1.00 0.00 C ATOM 396 NE ARG A 24 -4.833 -3.837 -13.956 1.00 0.00 N ATOM 397 CZ ARG A 24 -5.933 -4.476 -14.406 1.00 0.00 C ATOM 398 NH1 ARG A 24 -7.116 -4.215 -13.832 1.00 0.00 N ATOM 399 NH2 ARG A 24 -5.844 -5.358 -15.411 1.00 0.00 N ATOM 0 H ARG A 24 -3.149 0.798 -10.956 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.378 0.771 -13.869 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.822 -0.493 -11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.735 -0.191 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.138 -1.485 -14.369 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.053 -1.649 -13.003 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.360 -3.277 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.865 -2.611 -12.574 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.941 -4.047 -14.404 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.175 -3.542 -13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.958 -4.689 -14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.940 -5.551 -15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.680 -5.837 -15.745 1.00 0.00 H new ATOM 413 N LEU A 25 -4.950 2.802 -11.793 1.00 0.00 N ATOM 414 CA LEU A 25 -5.787 3.985 -11.696 1.00 0.00 C ATOM 415 C LEU A 25 -4.987 5.210 -12.149 1.00 0.00 C ATOM 416 O LEU A 25 -5.576 6.094 -12.789 1.00 0.00 O ATOM 417 CB LEU A 25 -6.367 4.118 -10.287 1.00 0.00 C ATOM 418 CG LEU A 25 -7.489 3.142 -9.928 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.825 3.215 -8.438 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.720 3.375 -10.806 1.00 0.00 C ATOM 0 H LEU A 25 -4.503 2.532 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.645 3.899 -12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.557 3.990 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.743 5.134 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.138 2.130 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.626 2.511 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.941 2.961 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.148 4.225 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.503 2.668 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.083 4.393 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.453 3.230 -11.853 1.00 0.00 H new ATOM 432 N LYS A 26 -3.685 5.236 -11.815 1.00 0.00 N ATOM 433 CA LYS A 26 -2.817 6.340 -12.185 1.00 0.00 C ATOM 434 C LYS A 26 -2.831 6.507 -13.707 1.00 0.00 C ATOM 435 O LYS A 26 -2.594 7.628 -14.179 1.00 0.00 O ATOM 436 CB LYS A 26 -1.417 6.141 -11.601 1.00 0.00 C ATOM 437 CG LYS A 26 -1.173 7.089 -10.426 1.00 0.00 C ATOM 438 CD LYS A 26 -2.406 7.173 -9.523 1.00 0.00 C ATOM 439 CE LYS A 26 -3.205 8.447 -9.803 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.335 9.254 -8.579 1.00 0.00 N ATOM 0 H LYS A 26 -3.220 4.497 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.185 7.273 -11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.300 5.109 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.669 6.314 -12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.317 6.743 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.924 8.082 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.039 6.300 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.098 7.155 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.710 9.030 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.194 8.187 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.598 10.228 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.071 8.844 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.428 9.262 -8.070 1.00 0.00 H new ATOM 454 N LYS A 27 -3.103 5.406 -14.430 1.00 0.00 N ATOM 455 CA LYS A 27 -3.145 5.430 -15.882 1.00 0.00 C ATOM 456 C LYS A 27 -4.493 5.995 -16.339 1.00 0.00 C ATOM 457 O LYS A 27 -4.616 6.339 -17.524 1.00 0.00 O ATOM 458 CB LYS A 27 -2.835 4.044 -16.451 1.00 0.00 C ATOM 459 CG LYS A 27 -1.922 4.146 -17.675 1.00 0.00 C ATOM 460 CD LYS A 27 -0.471 3.832 -17.304 1.00 0.00 C ATOM 461 CE LYS A 27 0.045 2.623 -18.087 1.00 0.00 C ATOM 462 NZ LYS A 27 0.879 3.060 -19.219 1.00 0.00 N ATOM 0 H LYS A 27 -3.296 4.492 -14.020 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.371 6.090 -16.274 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.357 3.431 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.764 3.544 -16.726 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.262 3.454 -18.446 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.984 5.149 -18.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.157 4.699 -17.511 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.400 3.635 -16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.625 1.976 -17.429 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.796 2.034 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.221 2.227 -19.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.315 3.659 -19.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.691 3.603 -18.863 1.00 0.00 H new ATOM 476 N LEU A 28 -5.458 6.077 -15.407 1.00 0.00 N ATOM 477 CA LEU A 28 -6.781 6.594 -15.712 1.00 0.00 C ATOM 478 C LEU A 28 -6.906 8.019 -15.166 1.00 0.00 C ATOM 479 O LEU A 28 -7.569 8.842 -15.812 1.00 0.00 O ATOM 480 CB LEU A 28 -7.861 5.641 -15.197 1.00 0.00 C ATOM 481 CG LEU A 28 -8.949 5.254 -16.200 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.520 4.044 -17.034 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.287 5.020 -15.498 1.00 0.00 C ATOM 0 H LEU A 28 -5.335 5.788 -14.437 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.928 6.652 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.376 4.729 -14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.339 6.100 -14.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.090 6.087 -16.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.311 3.789 -17.739 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.609 4.284 -17.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.334 3.196 -16.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.042 4.746 -16.235 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.181 4.214 -14.771 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.594 5.932 -14.986 1.00 0.00 H new ATOM 495 N VAL A 29 -6.276 8.275 -14.006 1.00 0.00 N ATOM 496 CA VAL A 29 -6.315 9.587 -13.381 1.00 0.00 C ATOM 497 C VAL A 29 -4.941 10.247 -13.503 1.00 0.00 C ATOM 498 O VAL A 29 -4.845 11.296 -14.157 1.00 0.00 O ATOM 499 CB VAL A 29 -6.793 9.463 -11.933 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.144 10.834 -11.353 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.980 8.503 -11.828 1.00 0.00 C ATOM 0 H VAL A 29 -5.735 7.581 -13.490 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.031 10.232 -13.891 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.975 9.049 -11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.481 10.718 -10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.263 11.475 -11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.939 11.287 -11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.300 8.433 -10.788 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.804 8.875 -12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.683 7.516 -12.183 1.00 0.00 H new ATOM 511 N GLY A 30 -3.920 9.630 -12.881 1.00 0.00 N ATOM 512 CA GLY A 30 -2.565 10.154 -12.918 1.00 0.00 C ATOM 513 C GLY A 30 -2.112 10.279 -14.375 1.00 0.00 C ATOM 514 O GLY A 30 -0.993 10.759 -14.605 1.00 0.00 O ATOM 0 H GLY A 30 -4.020 8.766 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.525 11.127 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.892 9.494 -12.371 1.00 0.00 H new ATOM 518 N GLU A 31 -2.975 9.851 -15.312 1.00 0.00 N ATOM 519 CA GLU A 31 -2.665 9.915 -16.731 1.00 0.00 C ATOM 520 C GLU A 31 -2.006 11.259 -17.045 1.00 0.00 C ATOM 521 O GLU A 31 -2.470 12.281 -16.518 1.00 0.00 O ATOM 522 CB GLU A 31 -3.915 9.703 -17.589 1.00 0.00 C ATOM 523 CG GLU A 31 -4.589 11.037 -17.915 1.00 0.00 C ATOM 524 CD GLU A 31 -5.922 10.818 -18.632 1.00 0.00 C ATOM 525 OE1 GLU A 31 -6.203 9.700 -19.089 1.00 0.00 O ATOM 526 OE2 GLU A 31 -6.680 11.859 -18.705 1.00 0.00 O ATOM 0 H GLU A 31 -3.892 9.458 -15.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.972 9.109 -16.974 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.644 9.193 -18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.617 9.056 -17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.755 11.599 -16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.930 11.638 -18.541 1.00 0.00 H new ATOM 533 N ARG A 32 -0.954 11.233 -17.882 1.00 0.00 N ATOM 534 CA ARG A 32 -0.241 12.442 -18.260 1.00 0.00 C ATOM 535 C ARG A 32 -1.223 13.435 -18.883 1.00 0.00 C ATOM 536 O ARG A 32 -1.693 14.352 -18.212 1.00 0.00 O ATOM 537 CB ARG A 32 0.878 12.145 -19.261 1.00 0.00 C ATOM 538 CG ARG A 32 0.994 10.643 -19.525 1.00 0.00 C ATOM 539 CD ARG A 32 -0.135 10.157 -20.436 1.00 0.00 C ATOM 540 NE ARG A 32 -0.370 11.138 -21.519 1.00 0.00 N ATOM 541 CZ ARG A 32 -0.369 10.829 -22.833 1.00 0.00 C ATOM 542 NH1 ARG A 32 -0.142 9.561 -23.203 1.00 0.00 N ATOM 543 NH2 ARG A 32 -0.589 11.777 -23.755 1.00 0.00 N ATOM 0 H ARG A 32 -0.586 10.380 -18.305 1.00 0.00 H new ATOM 0 HA ARG A 32 0.209 12.864 -17.361 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.682 12.668 -20.197 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.825 12.524 -18.876 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.957 10.425 -19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.962 10.101 -18.580 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.122 9.187 -20.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.047 10.018 -19.856 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.544 12.108 -21.256 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.027 8.846 -22.496 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.138 9.311 -24.192 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.759 12.740 -23.466 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.587 11.535 -24.746 1.00 0.00 H new ATOM 558 N MET B 1 16.162 -6.808 12.917 1.00 0.00 N ATOM 559 CA MET B 1 14.925 -6.521 13.622 1.00 0.00 C ATOM 560 C MET B 1 14.755 -5.005 13.751 1.00 0.00 C ATOM 561 O MET B 1 13.630 -4.520 13.561 1.00 0.00 O ATOM 562 CB MET B 1 14.948 -7.151 15.016 1.00 0.00 C ATOM 563 CG MET B 1 13.553 -7.626 15.427 1.00 0.00 C ATOM 564 SD MET B 1 13.355 -7.487 17.228 1.00 0.00 S ATOM 565 CE MET B 1 11.766 -8.344 17.437 1.00 0.00 C ATOM 0 H1 MET B 1 16.191 -7.816 12.664 1.00 0.00 H new ATOM 0 H2 MET B 1 16.210 -6.232 12.052 1.00 0.00 H new ATOM 0 H3 MET B 1 16.971 -6.581 13.530 1.00 0.00 H new ATOM 0 HA MET B 1 14.091 -6.941 13.059 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.640 -7.993 15.027 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.317 -6.425 15.741 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.793 -7.029 14.922 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.405 -8.660 15.115 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.270 -7.977 18.335 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.133 -8.154 16.570 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.940 -9.416 17.531 1.00 0.00 H new ATOM 575 N ASP B 2 15.856 -4.300 14.064 1.00 0.00 N ATOM 576 CA ASP B 2 15.829 -2.856 14.215 1.00 0.00 C ATOM 577 C ASP B 2 15.190 -2.229 12.974 1.00 0.00 C ATOM 578 O ASP B 2 14.384 -1.301 13.130 1.00 0.00 O ATOM 579 CB ASP B 2 17.244 -2.289 14.356 1.00 0.00 C ATOM 580 CG ASP B 2 17.985 -2.708 15.627 1.00 0.00 C ATOM 581 OD1 ASP B 2 17.482 -2.529 16.747 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.141 -3.245 15.433 1.00 0.00 O ATOM 0 H ASP B 2 16.773 -4.719 14.215 1.00 0.00 H new ATOM 0 HA ASP B 2 15.256 -2.622 15.112 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.831 -2.600 13.492 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.188 -1.201 14.328 1.00 0.00 H new ATOM 587 N ALA B 3 15.557 -2.741 11.785 1.00 0.00 N ATOM 588 CA ALA B 3 15.023 -2.235 10.532 1.00 0.00 C ATOM 589 C ALA B 3 13.668 -2.892 10.258 1.00 0.00 C ATOM 590 O ALA B 3 12.919 -2.371 9.418 1.00 0.00 O ATOM 591 CB ALA B 3 15.940 -2.647 9.378 1.00 0.00 C ATOM 0 H ALA B 3 16.223 -3.506 11.678 1.00 0.00 H new ATOM 0 HA ALA B 3 14.939 -1.151 10.605 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.537 -2.266 8.439 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.936 -2.234 9.539 1.00 0.00 H new ATOM 0 HB3 ALA B 3 16.001 -3.734 9.332 1.00 0.00 H new ATOM 597 N ILE B 4 13.386 -4.005 10.958 1.00 0.00 N ATOM 598 CA ILE B 4 12.134 -4.724 10.790 1.00 0.00 C ATOM 599 C ILE B 4 11.013 -3.956 11.496 1.00 0.00 C ATOM 600 O ILE B 4 9.942 -3.791 10.892 1.00 0.00 O ATOM 601 CB ILE B 4 12.280 -6.172 11.262 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.388 -6.891 10.490 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.945 -6.914 11.175 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.941 -8.292 10.069 1.00 0.00 C ATOM 0 H ILE B 4 14.017 -4.418 11.644 1.00 0.00 H new ATOM 0 HA ILE B 4 11.866 -4.783 9.735 1.00 0.00 H new ATOM 0 HB ILE B 4 12.574 -6.162 12.312 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.657 -6.311 9.608 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.282 -6.961 11.110 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.077 -7.941 11.516 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.209 -6.414 11.805 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.597 -6.917 10.142 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.747 -8.782 9.522 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.696 -8.877 10.955 1.00 0.00 H new ATOM 0 HD13 ILE B 4 12.062 -8.216 9.429 1.00 0.00 H new ATOM 616 N LYS B 5 11.276 -3.512 12.737 1.00 0.00 N ATOM 617 CA LYS B 5 10.296 -2.772 13.514 1.00 0.00 C ATOM 618 C LYS B 5 9.798 -1.580 12.693 1.00 0.00 C ATOM 619 O LYS B 5 8.613 -1.234 12.816 1.00 0.00 O ATOM 620 CB LYS B 5 10.875 -2.382 14.875 1.00 0.00 C ATOM 621 CG LYS B 5 11.267 -3.623 15.680 1.00 0.00 C ATOM 622 CD LYS B 5 12.775 -3.656 15.937 1.00 0.00 C ATOM 623 CE LYS B 5 13.101 -3.166 17.350 1.00 0.00 C ATOM 624 NZ LYS B 5 12.812 -4.218 18.338 1.00 0.00 N ATOM 0 H LYS B 5 12.165 -3.659 13.215 1.00 0.00 H new ATOM 0 HA LYS B 5 9.429 -3.397 13.730 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.748 -1.745 14.734 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.142 -1.799 15.433 1.00 0.00 H new ATOM 0 HG2 LYS B 5 10.732 -3.629 16.630 1.00 0.00 H new ATOM 0 HG3 LYS B 5 10.967 -4.521 15.140 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.148 -4.672 15.805 1.00 0.00 H new ATOM 0 HD3 LYS B 5 13.286 -3.031 15.205 1.00 0.00 H new ATOM 0 HE2 LYS B 5 14.151 -2.881 17.410 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.516 -2.275 17.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.410 -4.079 19.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.810 -4.169 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.011 -5.150 17.921 1.00 0.00 H new ATOM 638 N LYS B 6 10.695 -0.987 11.886 1.00 0.00 N ATOM 639 CA LYS B 6 10.349 0.155 11.057 1.00 0.00 C ATOM 640 C LYS B 6 9.828 -0.341 9.706 1.00 0.00 C ATOM 641 O LYS B 6 9.055 0.387 9.068 1.00 0.00 O ATOM 642 CB LYS B 6 11.534 1.115 10.944 1.00 0.00 C ATOM 643 CG LYS B 6 12.450 1.001 12.163 1.00 0.00 C ATOM 644 CD LYS B 6 13.178 2.321 12.427 1.00 0.00 C ATOM 645 CE LYS B 6 13.719 2.918 11.127 1.00 0.00 C ATOM 646 NZ LYS B 6 14.890 2.160 10.659 1.00 0.00 N ATOM 0 H LYS B 6 11.665 -1.289 11.798 1.00 0.00 H new ATOM 0 HA LYS B 6 9.546 0.731 11.518 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.099 0.896 10.038 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.170 2.138 10.853 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.863 0.724 13.039 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.178 0.206 12.002 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.496 3.028 12.900 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.999 2.154 13.124 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.942 2.905 10.363 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.993 3.961 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.244 2.579 9.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.637 2.193 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 14.618 1.171 10.488 1.00 0.00 H new ATOM 660 N LYS B 7 10.254 -1.553 9.305 1.00 0.00 N ATOM 661 CA LYS B 7 9.835 -2.137 8.042 1.00 0.00 C ATOM 662 C LYS B 7 8.307 -2.214 8.004 1.00 0.00 C ATOM 663 O LYS B 7 7.717 -1.730 7.026 1.00 0.00 O ATOM 664 CB LYS B 7 10.524 -3.486 7.821 1.00 0.00 C ATOM 665 CG LYS B 7 10.165 -4.066 6.453 1.00 0.00 C ATOM 666 CD LYS B 7 10.178 -2.980 5.375 1.00 0.00 C ATOM 667 CE LYS B 7 10.365 -3.590 3.984 1.00 0.00 C ATOM 668 NZ LYS B 7 11.586 -4.411 3.941 1.00 0.00 N ATOM 0 H LYS B 7 10.889 -2.139 9.847 1.00 0.00 H new ATOM 0 HA LYS B 7 10.145 -1.506 7.209 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.604 -3.363 7.896 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.227 -4.183 8.605 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.873 -4.852 6.190 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.178 -4.527 6.497 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.244 -2.419 5.407 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.982 -2.272 5.577 1.00 0.00 H new ATOM 0 HE2 LYS B 7 9.499 -4.201 3.729 1.00 0.00 H new ATOM 0 HE3 LYS B 7 10.426 -2.798 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 12.107 -4.212 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 12.186 -4.184 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 11.328 -5.418 3.970 1.00 0.00 H new ATOM 682 N MET B 8 7.707 -2.809 9.050 1.00 0.00 N ATOM 683 CA MET B 8 6.263 -2.945 9.133 1.00 0.00 C ATOM 684 C MET B 8 5.628 -1.556 9.226 1.00 0.00 C ATOM 685 O MET B 8 4.454 -1.419 8.854 1.00 0.00 O ATOM 686 CB MET B 8 5.877 -3.766 10.365 1.00 0.00 C ATOM 687 CG MET B 8 6.540 -3.211 11.626 1.00 0.00 C ATOM 688 SD MET B 8 5.691 -3.837 13.105 1.00 0.00 S ATOM 689 CE MET B 8 4.140 -2.896 13.000 1.00 0.00 C ATOM 0 H MET B 8 8.211 -3.200 9.846 1.00 0.00 H new ATOM 0 HA MET B 8 5.903 -3.458 8.241 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.794 -3.758 10.486 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.174 -4.805 10.221 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.591 -3.500 11.651 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.509 -2.122 11.613 1.00 0.00 H new ATOM 0 HE1 MET B 8 3.714 -2.785 13.997 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.340 -1.911 12.579 1.00 0.00 H new ATOM 0 HE3 MET B 8 3.435 -3.427 12.361 1.00 0.00 H new ATOM 699 N GLN B 9 6.404 -0.571 9.711 1.00 0.00 N ATOM 700 CA GLN B 9 5.920 0.793 9.850 1.00 0.00 C ATOM 701 C GLN B 9 5.959 1.483 8.486 1.00 0.00 C ATOM 702 O GLN B 9 5.199 2.443 8.290 1.00 0.00 O ATOM 703 CB GLN B 9 6.734 1.574 10.883 1.00 0.00 C ATOM 704 CG GLN B 9 6.429 1.089 12.302 1.00 0.00 C ATOM 705 CD GLN B 9 6.838 2.137 13.340 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.073 3.012 13.711 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.083 1.998 13.787 1.00 0.00 N ATOM 0 H GLN B 9 7.370 -0.705 10.011 1.00 0.00 H new ATOM 0 HA GLN B 9 4.892 0.766 10.211 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.798 1.458 10.676 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.507 2.637 10.802 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.364 0.875 12.396 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.960 0.156 12.493 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.670 1.243 13.434 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.450 2.647 14.483 1.00 0.00 H new ATOM 716 N MET B 10 6.827 0.991 7.585 1.00 0.00 N ATOM 717 CA MET B 10 6.961 1.557 6.254 1.00 0.00 C ATOM 718 C MET B 10 5.843 1.018 5.360 1.00 0.00 C ATOM 719 O MET B 10 5.308 1.791 4.552 1.00 0.00 O ATOM 720 CB MET B 10 8.318 1.189 5.652 1.00 0.00 C ATOM 721 CG MET B 10 9.452 1.482 6.636 1.00 0.00 C ATOM 722 SD MET B 10 10.688 2.564 5.859 1.00 0.00 S ATOM 723 CE MET B 10 11.004 3.716 7.227 1.00 0.00 C ATOM 0 H MET B 10 7.444 0.199 7.767 1.00 0.00 H new ATOM 0 HA MET B 10 6.890 2.643 6.322 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.327 0.132 5.386 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.476 1.751 4.732 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.053 1.957 7.532 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.920 0.550 6.952 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.745 4.453 6.918 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.078 4.224 7.496 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.379 3.164 8.089 1.00 0.00 H new ATOM 733 N LEU B 11 5.517 -0.277 5.520 1.00 0.00 N ATOM 734 CA LEU B 11 4.472 -0.911 4.732 1.00 0.00 C ATOM 735 C LEU B 11 3.106 -0.504 5.286 1.00 0.00 C ATOM 736 O LEU B 11 2.133 -0.509 4.517 1.00 0.00 O ATOM 737 CB LEU B 11 4.687 -2.425 4.678 1.00 0.00 C ATOM 738 CG LEU B 11 6.019 -2.893 4.087 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.261 -4.374 4.385 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.092 -2.590 2.590 1.00 0.00 C ATOM 0 H LEU B 11 5.969 -0.897 6.192 1.00 0.00 H new ATOM 0 HA LEU B 11 4.513 -0.569 3.698 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.603 -2.820 5.690 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.879 -2.866 4.095 1.00 0.00 H new ATOM 0 HG LEU B 11 6.821 -2.333 4.568 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.214 -4.681 3.954 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.284 -4.529 5.464 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.458 -4.969 3.950 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.049 -2.933 2.196 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.281 -3.105 2.075 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.998 -1.516 2.431 1.00 0.00 H new ATOM 752 N LYS B 12 3.059 -0.165 6.586 1.00 0.00 N ATOM 753 CA LYS B 12 1.821 0.239 7.233 1.00 0.00 C ATOM 754 C LYS B 12 1.522 1.698 6.884 1.00 0.00 C ATOM 755 O LYS B 12 0.339 2.047 6.772 1.00 0.00 O ATOM 756 CB LYS B 12 1.889 -0.031 8.737 1.00 0.00 C ATOM 757 CG LYS B 12 0.947 0.898 9.504 1.00 0.00 C ATOM 758 CD LYS B 12 1.638 2.221 9.845 1.00 0.00 C ATOM 759 CE LYS B 12 1.304 2.662 11.271 1.00 0.00 C ATOM 760 NZ LYS B 12 2.305 2.146 12.218 1.00 0.00 N ATOM 0 H LYS B 12 3.872 -0.166 7.202 1.00 0.00 H new ATOM 0 HA LYS B 12 0.986 -0.356 6.863 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.623 -1.069 8.936 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.911 0.110 9.089 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.056 1.092 8.907 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.616 0.410 10.421 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.717 2.110 9.738 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.325 2.991 9.140 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.272 3.750 11.323 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.313 2.301 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.063 2.455 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.316 1.107 12.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.245 2.511 11.963 1.00 0.00 H new ATOM 774 N LEU B 13 2.585 2.508 6.720 1.00 0.00 N ATOM 775 CA LEU B 13 2.436 3.915 6.387 1.00 0.00 C ATOM 776 C LEU B 13 2.036 4.047 4.916 1.00 0.00 C ATOM 777 O LEU B 13 1.137 4.846 4.619 1.00 0.00 O ATOM 778 CB LEU B 13 3.705 4.689 6.752 1.00 0.00 C ATOM 779 CG LEU B 13 3.553 6.206 6.877 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.876 6.916 6.584 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.418 6.719 5.987 1.00 0.00 C ATOM 0 H LEU B 13 3.553 2.200 6.815 1.00 0.00 H new ATOM 0 HA LEU B 13 1.636 4.364 6.976 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.083 4.302 7.699 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.463 4.481 5.997 1.00 0.00 H new ATOM 0 HG LEU B 13 3.284 6.438 7.908 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.740 7.993 6.680 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.633 6.581 7.293 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.199 6.680 5.570 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.331 7.800 6.095 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.632 6.474 4.947 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.481 6.248 6.285 1.00 0.00 H new ATOM 793 N ASP B 14 2.701 3.272 4.040 1.00 0.00 N ATOM 794 CA ASP B 14 2.417 3.302 2.616 1.00 0.00 C ATOM 795 C ASP B 14 0.974 2.850 2.378 1.00 0.00 C ATOM 796 O ASP B 14 0.341 3.366 1.446 1.00 0.00 O ATOM 797 CB ASP B 14 3.341 2.354 1.849 1.00 0.00 C ATOM 798 CG ASP B 14 3.861 2.895 0.516 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.171 4.147 0.518 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.963 2.157 -0.476 1.00 0.00 O ATOM 0 H ASP B 14 3.439 2.620 4.306 1.00 0.00 H new ATOM 0 HA ASP B 14 2.573 4.321 2.263 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.194 2.111 2.483 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.807 1.422 1.662 1.00 0.00 H new ATOM 805 N ASN B 15 0.493 1.910 3.211 1.00 0.00 N ATOM 806 CA ASN B 15 -0.861 1.397 3.092 1.00 0.00 C ATOM 807 C ASN B 15 -1.857 2.538 3.312 1.00 0.00 C ATOM 808 O ASN B 15 -2.771 2.690 2.489 1.00 0.00 O ATOM 809 CB ASN B 15 -1.136 0.320 4.143 1.00 0.00 C ATOM 810 CG ASN B 15 -2.170 -0.688 3.638 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.366 -0.540 3.833 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.646 -1.718 2.980 1.00 0.00 N ATOM 0 H ASN B 15 1.032 1.497 3.972 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.972 0.967 2.097 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.209 -0.197 4.390 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.495 0.786 5.061 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.254 -2.445 2.603 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.636 -1.781 2.852 1.00 0.00 H new ATOM 819 N TYR B 16 -1.662 3.304 4.401 1.00 0.00 N ATOM 820 CA TYR B 16 -2.576 4.401 4.669 1.00 0.00 C ATOM 821 C TYR B 16 -2.551 5.379 3.494 1.00 0.00 C ATOM 822 O TYR B 16 -3.624 5.886 3.135 1.00 0.00 O ATOM 823 CB TYR B 16 -2.201 5.089 5.995 1.00 0.00 C ATOM 824 CG TYR B 16 -2.070 4.144 7.182 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.853 2.968 7.250 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.168 4.443 8.228 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.731 2.097 8.354 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.045 3.572 9.331 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.826 2.399 9.395 1.00 0.00 C ATOM 830 OH TYR B 16 -1.703 1.558 10.465 1.00 0.00 O ATOM 0 H TYR B 16 -0.909 3.183 5.078 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.593 4.022 4.774 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.257 5.617 5.861 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.956 5.840 6.226 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.546 2.736 6.455 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.571 5.342 8.183 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.330 1.200 8.403 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.353 3.803 10.127 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.894 0.639 10.183 1.00 0.00 H new ATOM 840 N HIS B 17 -1.354 5.628 2.931 1.00 0.00 N ATOM 841 CA HIS B 17 -1.204 6.546 1.816 1.00 0.00 C ATOM 842 C HIS B 17 -1.878 5.952 0.578 1.00 0.00 C ATOM 843 O HIS B 17 -2.532 6.706 -0.157 1.00 0.00 O ATOM 844 CB HIS B 17 0.269 6.887 1.582 1.00 0.00 C ATOM 845 CG HIS B 17 0.705 6.772 0.140 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.654 7.833 -0.745 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.201 5.710 -0.558 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.101 7.417 -1.922 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.439 6.102 -1.803 1.00 0.00 N ATOM 0 H HIS B 17 -0.482 5.199 3.240 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.699 7.489 2.046 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.455 7.904 1.927 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.886 6.226 2.191 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.371 4.719 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.183 8.015 -2.818 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.813 5.515 -2.549 1.00 0.00 H new ATOM 857 N LEU B 18 -1.710 4.632 0.374 1.00 0.00 N ATOM 858 CA LEU B 18 -2.297 3.947 -0.764 1.00 0.00 C ATOM 859 C LEU B 18 -3.821 3.940 -0.618 1.00 0.00 C ATOM 860 O LEU B 18 -4.511 4.103 -1.635 1.00 0.00 O ATOM 861 CB LEU B 18 -1.688 2.553 -0.923 1.00 0.00 C ATOM 862 CG LEU B 18 -0.244 2.504 -1.427 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.309 1.080 -1.368 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.133 3.106 -2.829 1.00 0.00 C ATOM 0 H LEU B 18 -1.168 4.028 0.992 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.067 4.477 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.732 2.047 0.041 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.311 1.982 -1.611 1.00 0.00 H new ATOM 0 HG LEU B 18 0.371 3.114 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.337 1.073 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.286 0.723 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.301 0.427 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.903 3.059 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.763 2.543 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.460 4.146 -2.806 1.00 0.00 H new ATOM 876 N GLU B 19 -4.307 3.756 0.622 1.00 0.00 N ATOM 877 CA GLU B 19 -5.733 3.728 0.896 1.00 0.00 C ATOM 878 C GLU B 19 -6.327 5.112 0.624 1.00 0.00 C ATOM 879 O GLU B 19 -7.315 5.195 -0.119 1.00 0.00 O ATOM 880 CB GLU B 19 -6.022 3.278 2.329 1.00 0.00 C ATOM 881 CG GLU B 19 -7.342 2.506 2.405 1.00 0.00 C ATOM 882 CD GLU B 19 -7.163 1.189 3.166 1.00 0.00 C ATOM 883 OE1 GLU B 19 -6.267 1.213 4.093 1.00 0.00 O ATOM 884 OE2 GLU B 19 -7.856 0.204 2.869 1.00 0.00 O ATOM 0 H GLU B 19 -3.720 3.625 1.446 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.202 2.999 0.235 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.207 2.649 2.688 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.066 4.147 2.985 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.097 3.117 2.900 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.707 2.302 1.398 1.00 0.00 H new ATOM 891 N ASN B 20 -5.722 6.154 1.224 1.00 0.00 N ATOM 892 CA ASN B 20 -6.187 7.519 1.048 1.00 0.00 C ATOM 893 C ASN B 20 -6.076 7.905 -0.429 1.00 0.00 C ATOM 894 O ASN B 20 -6.912 8.693 -0.896 1.00 0.00 O ATOM 895 CB ASN B 20 -5.337 8.499 1.858 1.00 0.00 C ATOM 896 CG ASN B 20 -5.140 8.000 3.290 1.00 0.00 C ATOM 897 OD1 ASN B 20 -5.931 7.240 3.825 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.043 8.469 3.881 1.00 0.00 N ATOM 0 H ASN B 20 -4.909 6.064 1.834 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.221 7.570 1.390 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.367 8.628 1.377 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.818 9.477 1.873 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.823 8.195 4.838 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.423 9.102 3.376 1.00 0.00 H new ATOM 905 N GLU B 21 -5.065 7.352 -1.121 1.00 0.00 N ATOM 906 CA GLU B 21 -4.850 7.637 -2.530 1.00 0.00 C ATOM 907 C GLU B 21 -5.843 6.827 -3.367 1.00 0.00 C ATOM 908 O GLU B 21 -6.241 7.308 -4.438 1.00 0.00 O ATOM 909 CB GLU B 21 -3.409 7.339 -2.950 1.00 0.00 C ATOM 910 CG GLU B 21 -3.104 7.941 -4.323 1.00 0.00 C ATOM 911 CD GLU B 21 -2.194 7.017 -5.136 1.00 0.00 C ATOM 912 OE1 GLU B 21 -2.230 5.792 -4.951 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.430 7.615 -5.988 1.00 0.00 O ATOM 0 H GLU B 21 -4.388 6.705 -0.716 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.018 8.700 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.719 7.744 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.250 6.261 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.034 8.110 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.626 8.913 -4.200 1.00 0.00 H new ATOM 920 N VAL B 22 -6.218 5.635 -2.870 1.00 0.00 N ATOM 921 CA VAL B 22 -7.154 4.770 -3.567 1.00 0.00 C ATOM 922 C VAL B 22 -8.578 5.283 -3.344 1.00 0.00 C ATOM 923 O VAL B 22 -9.388 5.203 -4.278 1.00 0.00 O ATOM 924 CB VAL B 22 -6.963 3.321 -3.117 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.289 2.556 -3.151 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.902 2.617 -3.966 1.00 0.00 C ATOM 0 H VAL B 22 -5.879 5.258 -1.985 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.966 4.790 -4.640 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.611 3.335 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.125 1.528 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -9.004 3.037 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.684 2.557 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.786 1.588 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.212 2.620 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.951 3.141 -3.868 1.00 0.00 H new ATOM 936 N ALA B 23 -8.852 5.791 -2.128 1.00 0.00 N ATOM 937 CA ALA B 23 -10.165 6.311 -1.788 1.00 0.00 C ATOM 938 C ALA B 23 -10.424 7.590 -2.586 1.00 0.00 C ATOM 939 O ALA B 23 -11.596 7.968 -2.730 1.00 0.00 O ATOM 940 CB ALA B 23 -10.194 6.712 -0.312 1.00 0.00 C ATOM 0 H ALA B 23 -8.171 5.847 -1.371 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.907 5.543 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.180 7.102 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.980 5.840 0.306 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.443 7.480 -0.129 1.00 0.00 H new ATOM 946 N ARG B 24 -9.343 8.222 -3.079 1.00 0.00 N ATOM 947 CA ARG B 24 -9.455 9.447 -3.853 1.00 0.00 C ATOM 948 C ARG B 24 -9.558 9.098 -5.339 1.00 0.00 C ATOM 949 O ARG B 24 -10.211 9.851 -6.077 1.00 0.00 O ATOM 950 CB ARG B 24 -8.248 10.363 -3.635 1.00 0.00 C ATOM 951 CG ARG B 24 -8.488 11.316 -2.462 1.00 0.00 C ATOM 952 CD ARG B 24 -7.172 11.915 -1.963 1.00 0.00 C ATOM 953 NE ARG B 24 -7.380 12.579 -0.658 1.00 0.00 N ATOM 954 CZ ARG B 24 -6.380 13.002 0.144 1.00 0.00 C ATOM 955 NH1 ARG B 24 -5.112 12.821 -0.248 1.00 0.00 N ATOM 956 NH2 ARG B 24 -6.651 13.595 1.315 1.00 0.00 N ATOM 0 H ARG B 24 -8.386 7.895 -2.948 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.348 9.976 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.360 9.761 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.054 10.937 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.162 12.116 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.979 10.781 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.420 11.132 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.792 12.633 -2.689 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.339 12.727 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -4.914 12.369 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -4.345 13.135 0.346 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.619 13.730 1.606 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -5.889 13.912 1.915 1.00 0.00 H new ATOM 970 N LEU B 25 -8.924 7.983 -5.742 1.00 0.00 N ATOM 971 CA LEU B 25 -8.944 7.542 -7.126 1.00 0.00 C ATOM 972 C LEU B 25 -10.257 6.803 -7.402 1.00 0.00 C ATOM 973 O LEU B 25 -10.824 6.994 -8.487 1.00 0.00 O ATOM 974 CB LEU B 25 -7.696 6.716 -7.444 1.00 0.00 C ATOM 975 CG LEU B 25 -6.401 7.507 -7.641 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.203 6.569 -7.792 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.524 8.476 -8.819 1.00 0.00 C ATOM 0 H LEU B 25 -8.393 7.376 -5.117 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.911 8.399 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.542 6.001 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.887 6.139 -8.349 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.228 8.107 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.296 7.157 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.105 5.957 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.353 5.924 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.590 9.026 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.733 7.916 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.336 9.178 -8.630 1.00 0.00 H new ATOM 989 N LYS B 26 -10.705 5.989 -6.429 1.00 0.00 N ATOM 990 CA LYS B 26 -11.937 5.231 -6.566 1.00 0.00 C ATOM 991 C LYS B 26 -13.110 6.199 -6.730 1.00 0.00 C ATOM 992 O LYS B 26 -14.107 5.817 -7.359 1.00 0.00 O ATOM 993 CB LYS B 26 -12.101 4.258 -5.397 1.00 0.00 C ATOM 994 CG LYS B 26 -11.170 3.054 -5.553 1.00 0.00 C ATOM 995 CD LYS B 26 -11.896 1.883 -6.221 1.00 0.00 C ATOM 996 CE LYS B 26 -11.580 1.825 -7.718 1.00 0.00 C ATOM 997 NZ LYS B 26 -11.996 0.532 -8.283 1.00 0.00 N ATOM 0 H LYS B 26 -10.222 5.847 -5.542 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.906 4.612 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.885 4.770 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.135 3.918 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.302 3.336 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.800 2.747 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.599 0.948 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.971 1.987 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.092 2.636 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.511 1.971 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.774 0.510 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.488 -0.237 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.020 0.408 -8.149 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.971 7.413 -6.168 1.00 0.00 N ATOM 1012 CA LYS B 27 -14.013 8.424 -6.251 1.00 0.00 C ATOM 1013 C LYS B 27 -13.949 9.106 -7.619 1.00 0.00 C ATOM 1014 O LYS B 27 -14.915 9.793 -7.980 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.910 9.396 -5.074 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.297 9.762 -4.542 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.280 9.906 -3.019 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.732 8.642 -2.354 1.00 0.00 C ATOM 1019 NZ LYS B 27 -15.314 8.470 -1.013 1.00 0.00 N ATOM 0 H LYS B 27 -12.141 7.708 -5.653 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.998 7.964 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.318 8.946 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.387 10.299 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.629 10.696 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -16.015 8.994 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.668 10.763 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.289 10.103 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.960 7.772 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.646 8.705 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.931 7.607 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.075 9.292 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -16.348 8.389 -1.091 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.832 8.903 -8.341 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.648 9.494 -9.656 1.00 0.00 C ATOM 1035 C LEU B 28 -12.886 8.428 -10.727 1.00 0.00 C ATOM 1036 O LEU B 28 -13.408 8.773 -11.796 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.278 10.169 -9.752 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.273 11.603 -10.286 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.471 12.611 -9.152 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.001 11.885 -11.088 1.00 0.00 C ATOM 0 H LEU B 28 -12.049 8.331 -8.025 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.379 10.284 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.825 10.170 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.640 9.561 -10.393 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.115 11.716 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.463 13.622 -9.559 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.426 12.424 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.664 12.506 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.023 12.911 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.129 11.748 -10.448 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.943 11.198 -11.932 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.503 7.175 -10.423 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.674 6.071 -11.354 1.00 0.00 C ATOM 1054 C VAL B 29 -13.765 5.134 -10.832 1.00 0.00 C ATOM 1055 O VAL B 29 -14.793 4.991 -11.509 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.336 5.365 -11.579 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.415 4.405 -12.766 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.205 6.379 -11.767 1.00 0.00 C ATOM 0 H VAL B 29 -12.074 6.913 -9.536 1.00 0.00 H new ATOM 0 HA VAL B 29 -13.000 6.438 -12.327 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.114 4.777 -10.688 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.450 3.917 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.179 3.652 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.672 4.961 -13.667 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.265 5.850 -11.925 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.419 7.006 -12.633 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.125 7.004 -10.877 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.524 4.524 -9.658 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.479 3.611 -9.054 1.00 0.00 C ATOM 1070 C GLY B 30 -15.826 4.319 -8.895 1.00 0.00 C ATOM 1071 O GLY B 30 -16.795 3.660 -8.491 1.00 0.00 O ATOM 0 H GLY B 30 -12.670 4.655 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.593 2.723 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.115 3.276 -8.083 1.00 0.00 H new