USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 815 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 4 SER OG : rot -62:sc= 1.09 USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.0843 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0754 K(o=-0.075,f=-0.78) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 44:sc= 0.467 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.927 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.96 K(o=-2,f=-5.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc=0.000914 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= -0.0162 (180deg=-0.156) USER MOD Single : A 104 GLN : amide:sc= 0.818 K(o=0.82,f=-0.00025) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.519 -0.834 -0.142 1.00 34.44 N ATOM 2 CA MET A 1 3.215 -0.732 -1.419 1.00 3.34 C ATOM 3 C MET A 1 2.373 -1.320 -2.546 1.00 50.33 C ATOM 4 O MET A 1 2.757 -2.310 -3.169 1.00 24.23 O ATOM 5 CB MET A 1 4.565 -1.449 -1.347 1.00 13.01 C ATOM 6 CG MET A 1 5.550 -0.796 -0.391 1.00 33.44 C ATOM 7 SD MET A 1 7.193 -1.535 -0.475 1.00 54.41 S ATOM 8 CE MET A 1 7.035 -2.850 0.730 1.00 3.14 C ATOM 0 H1 MET A 1 3.065 -0.338 0.591 1.00 34.44 H new ATOM 0 H2 MET A 1 1.577 -0.401 -0.225 1.00 34.44 H new ATOM 0 H3 MET A 1 2.418 -1.836 0.119 1.00 34.44 H new ATOM 0 HA MET A 1 3.383 0.324 -1.629 1.00 3.34 H new ATOM 0 HB2 MET A 1 4.403 -2.482 -1.039 1.00 13.01 H new ATOM 0 HB3 MET A 1 5.005 -1.479 -2.344 1.00 13.01 H new ATOM 0 HG2 MET A 1 5.622 0.267 -0.620 1.00 33.44 H new ATOM 0 HG3 MET A 1 5.171 -0.878 0.628 1.00 33.44 H new ATOM 0 HE1 MET A 1 7.974 -3.401 0.793 1.00 3.14 H new ATOM 0 HE2 MET A 1 6.798 -2.424 1.705 1.00 3.14 H new ATOM 0 HE3 MET A 1 6.237 -3.527 0.427 1.00 3.14 H new ATOM 18 N ILE A 2 1.224 -0.704 -2.803 1.00 50.14 N ATOM 19 CA ILE A 2 0.329 -1.167 -3.857 1.00 11.24 C ATOM 20 C ILE A 2 -0.050 -0.027 -4.796 1.00 71.12 C ATOM 21 O ILE A 2 -1.177 0.468 -4.789 1.00 33.11 O ATOM 22 CB ILE A 2 -0.956 -1.784 -3.273 1.00 25.33 C ATOM 23 CG1 ILE A 2 -1.570 -0.848 -2.230 1.00 44.42 C ATOM 24 CG2 ILE A 2 -0.658 -3.145 -2.660 1.00 51.13 C ATOM 25 CD1 ILE A 2 -3.082 -0.880 -2.205 1.00 23.23 C ATOM 0 H ILE A 2 0.891 0.116 -2.296 1.00 50.14 H new ATOM 0 HA ILE A 2 0.868 -1.932 -4.416 1.00 11.24 H new ATOM 0 HB ILE A 2 -1.676 -1.919 -4.080 1.00 25.33 H new ATOM 0 HG12 ILE A 2 -1.193 -1.119 -1.244 1.00 44.42 H new ATOM 0 HG13 ILE A 2 -1.239 0.171 -2.429 1.00 44.42 H new ATOM 0 HG21 ILE A 2 -1.575 -3.569 -2.251 1.00 51.13 H new ATOM 0 HG22 ILE A 2 -0.261 -3.810 -3.427 1.00 51.13 H new ATOM 0 HG23 ILE A 2 0.076 -3.032 -1.862 1.00 51.13 H new ATOM 0 HD11 ILE A 2 -3.448 -0.193 -1.442 1.00 23.23 H new ATOM 0 HD12 ILE A 2 -3.468 -0.580 -3.179 1.00 23.23 H new ATOM 0 HD13 ILE A 2 -3.421 -1.890 -1.975 1.00 23.23 H new ATOM 37 N PRO A 3 0.913 0.400 -5.627 1.00 75.51 N ATOM 38 CA PRO A 3 0.703 1.484 -6.591 1.00 1.34 C ATOM 39 C PRO A 3 -0.233 1.080 -7.725 1.00 25.33 C ATOM 40 O PRO A 3 -0.228 -0.070 -8.166 1.00 12.44 O ATOM 41 CB PRO A 3 2.110 1.757 -7.129 1.00 73.34 C ATOM 42 CG PRO A 3 2.843 0.474 -6.940 1.00 20.22 C ATOM 43 CD PRO A 3 2.279 -0.145 -5.690 1.00 44.44 C ATOM 0 HA PRO A 3 0.231 2.353 -6.131 1.00 1.34 H new ATOM 0 HB2 PRO A 3 2.083 2.046 -8.180 1.00 73.34 H new ATOM 0 HB3 PRO A 3 2.590 2.571 -6.586 1.00 73.34 H new ATOM 0 HG2 PRO A 3 2.705 -0.184 -7.798 1.00 20.22 H new ATOM 0 HG3 PRO A 3 3.914 0.648 -6.840 1.00 20.22 H new ATOM 0 HD2 PRO A 3 2.275 -1.234 -5.747 1.00 44.44 H new ATOM 0 HD3 PRO A 3 2.861 0.126 -4.809 1.00 44.44 H new ATOM 51 N SER A 4 -1.033 2.031 -8.193 1.00 55.51 N ATOM 52 CA SER A 4 -1.977 1.773 -9.274 1.00 73.21 C ATOM 53 C SER A 4 -2.895 0.605 -8.926 1.00 60.32 C ATOM 54 O SER A 4 -3.328 -0.142 -9.804 1.00 35.01 O ATOM 55 CB SER A 4 -1.227 1.477 -10.574 1.00 53.24 C ATOM 56 OG SER A 4 -0.895 0.103 -10.670 1.00 62.03 O ATOM 0 H SER A 4 -1.047 2.988 -7.841 1.00 55.51 H new ATOM 0 HA SER A 4 -2.588 2.665 -9.410 1.00 73.21 H new ATOM 0 HB2 SER A 4 -1.842 1.766 -11.426 1.00 53.24 H new ATOM 0 HB3 SER A 4 -0.319 2.078 -10.618 1.00 53.24 H new ATOM 0 HG SER A 4 -0.296 -0.141 -9.934 1.00 62.03 H new ATOM 62 N PHE A 5 -3.187 0.453 -7.639 1.00 0.13 N ATOM 63 CA PHE A 5 -4.052 -0.624 -7.173 1.00 33.33 C ATOM 64 C PHE A 5 -3.617 -1.964 -7.759 1.00 44.01 C ATOM 65 O PHE A 5 -4.118 -2.391 -8.798 1.00 74.33 O ATOM 66 CB PHE A 5 -5.507 -0.338 -7.551 1.00 31.23 C ATOM 67 CG PHE A 5 -6.501 -0.889 -6.568 1.00 50.43 C ATOM 68 CD1 PHE A 5 -7.455 -0.065 -5.992 1.00 44.13 C ATOM 69 CD2 PHE A 5 -6.481 -2.230 -6.220 1.00 53.34 C ATOM 70 CE1 PHE A 5 -8.371 -0.568 -5.088 1.00 70.21 C ATOM 71 CE2 PHE A 5 -7.395 -2.739 -5.317 1.00 53.33 C ATOM 72 CZ PHE A 5 -8.340 -1.907 -4.750 1.00 15.25 C ATOM 0 H PHE A 5 -2.837 1.062 -6.900 1.00 0.13 H new ATOM 0 HA PHE A 5 -3.969 -0.678 -6.087 1.00 33.33 H new ATOM 0 HB2 PHE A 5 -5.648 0.740 -7.633 1.00 31.23 H new ATOM 0 HB3 PHE A 5 -5.708 -0.761 -8.535 1.00 31.23 H new ATOM 0 HD1 PHE A 5 -7.483 0.983 -6.253 1.00 44.13 H new ATOM 0 HD2 PHE A 5 -5.743 -2.885 -6.659 1.00 53.34 H new ATOM 0 HE1 PHE A 5 -9.110 0.084 -4.647 1.00 70.21 H new ATOM 0 HE2 PHE A 5 -7.370 -3.786 -5.055 1.00 53.33 H new ATOM 0 HZ PHE A 5 -9.054 -2.303 -4.043 1.00 15.25 H new ATOM 82 N ALA A 6 -2.679 -2.621 -7.085 1.00 23.21 N ATOM 83 CA ALA A 6 -2.176 -3.912 -7.537 1.00 61.42 C ATOM 84 C ALA A 6 -1.466 -3.785 -8.881 1.00 31.02 C ATOM 85 O ALA A 6 -2.037 -4.049 -9.939 1.00 62.52 O ATOM 86 CB ALA A 6 -3.314 -4.918 -7.633 1.00 2.15 C ATOM 0 H ALA A 6 -2.252 -2.280 -6.224 1.00 23.21 H new ATOM 0 HA ALA A 6 -1.451 -4.268 -6.805 1.00 61.42 H new ATOM 0 HB1 ALA A 6 -2.924 -5.878 -7.972 1.00 2.15 H new ATOM 0 HB2 ALA A 6 -3.776 -5.040 -6.653 1.00 2.15 H new ATOM 0 HB3 ALA A 6 -4.059 -4.558 -8.343 1.00 2.15 H new ATOM 92 N PRO A 7 -0.191 -3.370 -8.841 1.00 13.45 N ATOM 93 CA PRO A 7 0.624 -3.198 -10.047 1.00 13.43 C ATOM 94 C PRO A 7 0.975 -4.528 -10.703 1.00 64.14 C ATOM 95 O PRO A 7 1.411 -5.465 -10.036 1.00 3.13 O ATOM 96 CB PRO A 7 1.887 -2.508 -9.526 1.00 1.12 C ATOM 97 CG PRO A 7 1.972 -2.906 -8.093 1.00 2.34 C ATOM 98 CD PRO A 7 0.553 -3.036 -7.614 1.00 74.52 C ATOM 0 HA PRO A 7 0.099 -2.632 -10.817 1.00 13.43 H new ATOM 0 HB2 PRO A 7 2.770 -2.828 -10.079 1.00 1.12 H new ATOM 0 HB3 PRO A 7 1.819 -1.425 -9.633 1.00 1.12 H new ATOM 0 HG2 PRO A 7 2.509 -3.848 -7.981 1.00 2.34 H new ATOM 0 HG3 PRO A 7 2.513 -2.159 -7.512 1.00 2.34 H new ATOM 0 HD2 PRO A 7 0.453 -3.816 -6.859 1.00 74.52 H new ATOM 0 HD3 PRO A 7 0.194 -2.110 -7.165 1.00 74.52 H new ATOM 106 N GLY A 8 0.783 -4.604 -12.017 1.00 2.11 N ATOM 107 CA GLY A 8 1.086 -5.824 -12.742 1.00 33.23 C ATOM 108 C GLY A 8 -0.158 -6.497 -13.288 1.00 63.41 C ATOM 109 O GLY A 8 -0.145 -7.691 -13.592 1.00 43.34 O ATOM 0 H GLY A 8 0.423 -3.842 -12.592 1.00 2.11 H new ATOM 0 HA2 GLY A 8 1.763 -5.595 -13.565 1.00 33.23 H new ATOM 0 HA3 GLY A 8 1.609 -6.515 -12.081 1.00 33.23 H new ATOM 113 N THR A 9 -1.238 -5.732 -13.412 1.00 5.20 N ATOM 114 CA THR A 9 -2.496 -6.262 -13.922 1.00 44.33 C ATOM 115 C THR A 9 -2.614 -6.043 -15.426 1.00 75.23 C ATOM 116 O THR A 9 -2.367 -4.945 -15.926 1.00 44.00 O ATOM 117 CB THR A 9 -3.704 -5.611 -13.223 1.00 51.34 C ATOM 118 OG1 THR A 9 -3.364 -5.267 -11.876 1.00 3.43 O ATOM 119 CG2 THR A 9 -4.901 -6.550 -13.225 1.00 41.24 C ATOM 0 H THR A 9 -1.266 -4.743 -13.166 1.00 5.20 H new ATOM 0 HA THR A 9 -2.498 -7.332 -13.712 1.00 44.33 H new ATOM 0 HB THR A 9 -3.970 -4.708 -13.772 1.00 51.34 H new ATOM 0 HG1 THR A 9 -2.748 -4.505 -11.879 1.00 3.43 H new ATOM 0 HG21 THR A 9 -5.742 -6.069 -12.726 1.00 41.24 H new ATOM 0 HG22 THR A 9 -5.176 -6.787 -14.253 1.00 41.24 H new ATOM 0 HG23 THR A 9 -4.644 -7.469 -12.698 1.00 41.24 H new ATOM 127 N LEU A 10 -2.996 -7.094 -16.144 1.00 24.34 N ATOM 128 CA LEU A 10 -3.148 -7.017 -17.592 1.00 75.04 C ATOM 129 C LEU A 10 -4.590 -6.694 -17.971 1.00 52.04 C ATOM 130 O LEU A 10 -5.505 -7.471 -17.695 1.00 43.54 O ATOM 131 CB LEU A 10 -2.722 -8.335 -18.241 1.00 23.00 C ATOM 132 CG LEU A 10 -2.454 -8.287 -19.746 1.00 14.12 C ATOM 133 CD1 LEU A 10 -1.642 -9.496 -20.183 1.00 35.44 C ATOM 134 CD2 LEU A 10 -3.764 -8.214 -20.518 1.00 24.00 C ATOM 0 H LEU A 10 -3.206 -8.009 -15.746 1.00 24.34 H new ATOM 0 HA LEU A 10 -2.506 -6.215 -17.958 1.00 75.04 H new ATOM 0 HB2 LEU A 10 -1.819 -8.687 -17.743 1.00 23.00 H new ATOM 0 HB3 LEU A 10 -3.499 -9.077 -18.054 1.00 23.00 H new ATOM 0 HG LEU A 10 -1.876 -7.389 -19.964 1.00 14.12 H new ATOM 0 HD11 LEU A 10 -1.461 -9.444 -21.257 1.00 35.44 H new ATOM 0 HD12 LEU A 10 -0.689 -9.504 -19.655 1.00 35.44 H new ATOM 0 HD13 LEU A 10 -2.193 -10.407 -19.951 1.00 35.44 H new ATOM 0 HD21 LEU A 10 -3.555 -8.180 -21.587 1.00 24.00 H new ATOM 0 HD22 LEU A 10 -4.368 -9.093 -20.294 1.00 24.00 H new ATOM 0 HD23 LEU A 10 -4.309 -7.316 -20.227 1.00 24.00 H new ATOM 146 N VAL A 11 -4.786 -5.543 -18.608 1.00 21.34 N ATOM 147 CA VAL A 11 -6.116 -5.119 -19.028 1.00 2.30 C ATOM 148 C VAL A 11 -6.169 -4.888 -20.534 1.00 64.31 C ATOM 149 O VAL A 11 -5.181 -5.096 -21.239 1.00 31.31 O ATOM 150 CB VAL A 11 -6.547 -3.828 -18.307 1.00 1.32 C ATOM 151 CG1 VAL A 11 -6.866 -4.112 -16.847 1.00 62.41 C ATOM 152 CG2 VAL A 11 -5.466 -2.764 -18.427 1.00 61.24 C ATOM 0 H VAL A 11 -4.040 -4.888 -18.844 1.00 21.34 H new ATOM 0 HA VAL A 11 -6.803 -5.922 -18.762 1.00 2.30 H new ATOM 0 HB VAL A 11 -7.451 -3.451 -18.785 1.00 1.32 H new ATOM 0 HG11 VAL A 11 -7.168 -3.188 -16.354 1.00 62.41 H new ATOM 0 HG12 VAL A 11 -7.677 -4.838 -16.786 1.00 62.41 H new ATOM 0 HG13 VAL A 11 -5.981 -4.514 -16.353 1.00 62.41 H new ATOM 0 HG21 VAL A 11 -5.788 -1.859 -17.912 1.00 61.24 H new ATOM 0 HG22 VAL A 11 -4.544 -3.130 -17.976 1.00 61.24 H new ATOM 0 HG23 VAL A 11 -5.291 -2.540 -19.479 1.00 61.24 H new ATOM 162 N TRP A 12 -7.327 -4.457 -21.020 1.00 62.55 N ATOM 163 CA TRP A 12 -7.508 -4.198 -22.444 1.00 75.12 C ATOM 164 C TRP A 12 -7.797 -2.722 -22.696 1.00 63.22 C ATOM 165 O TRP A 12 -8.624 -2.116 -22.014 1.00 42.31 O ATOM 166 CB TRP A 12 -8.648 -5.055 -22.998 1.00 41.14 C ATOM 167 CG TRP A 12 -8.211 -6.427 -23.413 1.00 75.33 C ATOM 168 CD1 TRP A 12 -6.977 -6.983 -23.235 1.00 61.55 C ATOM 169 CD2 TRP A 12 -9.007 -7.415 -24.077 1.00 60.42 C ATOM 170 NE1 TRP A 12 -6.957 -8.258 -23.749 1.00 0.10 N ATOM 171 CE2 TRP A 12 -8.190 -8.547 -24.270 1.00 53.12 C ATOM 172 CE3 TRP A 12 -10.330 -7.455 -24.526 1.00 21.44 C ATOM 173 CZ2 TRP A 12 -8.655 -9.702 -24.893 1.00 21.32 C ATOM 174 CZ3 TRP A 12 -10.789 -8.603 -25.144 1.00 13.24 C ATOM 175 CH2 TRP A 12 -9.954 -9.714 -25.322 1.00 12.30 C ATOM 0 H TRP A 12 -8.154 -4.280 -20.450 1.00 62.55 H new ATOM 0 HA TRP A 12 -6.583 -4.461 -22.957 1.00 75.12 H new ATOM 0 HB2 TRP A 12 -9.428 -5.143 -22.241 1.00 41.14 H new ATOM 0 HB3 TRP A 12 -9.091 -4.548 -23.855 1.00 41.14 H new ATOM 0 HD1 TRP A 12 -6.140 -6.493 -22.760 1.00 61.55 H new ATOM 0 HE1 TRP A 12 -6.154 -8.887 -23.743 1.00 0.10 H new ATOM 0 HE3 TRP A 12 -10.982 -6.604 -24.392 1.00 21.44 H new ATOM 0 HZ2 TRP A 12 -8.013 -10.559 -25.033 1.00 21.32 H new ATOM 0 HZ3 TRP A 12 -11.809 -8.644 -25.496 1.00 13.24 H new ATOM 0 HH2 TRP A 12 -10.343 -10.597 -25.807 1.00 12.30 H new ATOM 186 N LEU A 13 -7.111 -2.149 -23.679 1.00 62.40 N ATOM 187 CA LEU A 13 -7.294 -0.743 -24.021 1.00 61.13 C ATOM 188 C LEU A 13 -7.838 -0.594 -25.438 1.00 52.03 C ATOM 189 O LEU A 13 -7.175 -0.955 -26.411 1.00 53.21 O ATOM 190 CB LEU A 13 -5.969 0.011 -23.889 1.00 75.24 C ATOM 191 CG LEU A 13 -6.040 1.377 -23.206 1.00 22.33 C ATOM 192 CD1 LEU A 13 -5.316 1.342 -21.869 1.00 3.42 C ATOM 193 CD2 LEU A 13 -5.452 2.454 -24.105 1.00 51.32 C ATOM 0 H LEU A 13 -6.423 -2.636 -24.253 1.00 62.40 H new ATOM 0 HA LEU A 13 -8.018 -0.317 -23.327 1.00 61.13 H new ATOM 0 HB2 LEU A 13 -5.271 -0.615 -23.333 1.00 75.24 H new ATOM 0 HB3 LEU A 13 -5.550 0.147 -24.886 1.00 75.24 H new ATOM 0 HG LEU A 13 -7.087 1.617 -23.023 1.00 22.33 H new ATOM 0 HD11 LEU A 13 -5.376 2.322 -21.397 1.00 3.42 H new ATOM 0 HD12 LEU A 13 -5.782 0.598 -21.222 1.00 3.42 H new ATOM 0 HD13 LEU A 13 -4.270 1.080 -22.028 1.00 3.42 H new ATOM 0 HD21 LEU A 13 -5.511 3.419 -23.603 1.00 51.32 H new ATOM 0 HD22 LEU A 13 -4.409 2.220 -24.319 1.00 51.32 H new ATOM 0 HD23 LEU A 13 -6.014 2.496 -25.038 1.00 51.32 H new ATOM 205 N LYS A 14 -9.049 -0.058 -25.548 1.00 40.11 N ATOM 206 CA LYS A 14 -9.682 0.143 -26.846 1.00 15.22 C ATOM 207 C LYS A 14 -9.686 1.620 -27.226 1.00 51.34 C ATOM 208 O LYS A 14 -10.411 2.420 -26.635 1.00 44.42 O ATOM 209 CB LYS A 14 -11.116 -0.393 -26.825 1.00 42.42 C ATOM 210 CG LYS A 14 -11.689 -0.650 -28.208 1.00 62.31 C ATOM 211 CD LYS A 14 -12.895 -1.573 -28.149 1.00 1.40 C ATOM 212 CE LYS A 14 -13.746 -1.459 -29.405 1.00 3.44 C ATOM 213 NZ LYS A 14 -14.716 -2.582 -29.521 1.00 30.20 N ATOM 0 H LYS A 14 -9.612 0.245 -24.753 1.00 40.11 H new ATOM 0 HA LYS A 14 -9.106 -0.405 -27.592 1.00 15.22 H new ATOM 0 HB2 LYS A 14 -11.140 -1.320 -26.253 1.00 42.42 H new ATOM 0 HB3 LYS A 14 -11.754 0.320 -26.303 1.00 42.42 H new ATOM 0 HG2 LYS A 14 -11.976 0.297 -28.666 1.00 62.31 H new ATOM 0 HG3 LYS A 14 -10.922 -1.092 -28.844 1.00 62.31 H new ATOM 0 HD2 LYS A 14 -12.560 -2.603 -28.027 1.00 1.40 H new ATOM 0 HD3 LYS A 14 -13.499 -1.329 -27.275 1.00 1.40 H new ATOM 0 HE2 LYS A 14 -14.286 -0.512 -29.393 1.00 3.44 H new ATOM 0 HE3 LYS A 14 -13.099 -1.446 -30.282 1.00 3.44 H new ATOM 0 HZ1 LYS A 14 -15.277 -2.468 -30.389 1.00 30.20 H new ATOM 0 HZ2 LYS A 14 -14.200 -3.484 -29.558 1.00 30.20 H new ATOM 0 HZ3 LYS A 14 -15.350 -2.580 -28.697 1.00 30.20 H new ATOM 227 N GLN A 15 -8.874 1.973 -28.217 1.00 44.52 N ATOM 228 CA GLN A 15 -8.785 3.355 -28.676 1.00 61.42 C ATOM 229 C GLN A 15 -10.061 3.770 -29.401 1.00 44.34 C ATOM 230 O GLN A 15 -10.908 2.934 -29.717 1.00 4.23 O ATOM 231 CB GLN A 15 -7.579 3.531 -29.600 1.00 65.31 C ATOM 232 CG GLN A 15 -6.413 4.255 -28.947 1.00 25.12 C ATOM 233 CD GLN A 15 -6.230 5.664 -29.476 1.00 72.32 C ATOM 234 OE1 GLN A 15 -6.272 5.895 -30.685 1.00 13.52 O ATOM 235 NE2 GLN A 15 -6.026 6.614 -28.572 1.00 13.42 N ATOM 0 H GLN A 15 -8.269 1.322 -28.717 1.00 44.52 H new ATOM 0 HA GLN A 15 -8.660 3.995 -27.802 1.00 61.42 H new ATOM 0 HB2 GLN A 15 -7.244 2.550 -29.937 1.00 65.31 H new ATOM 0 HB3 GLN A 15 -7.889 4.084 -30.487 1.00 65.31 H new ATOM 0 HG2 GLN A 15 -6.572 4.294 -27.869 1.00 25.12 H new ATOM 0 HG3 GLN A 15 -5.498 3.687 -29.114 1.00 25.12 H new ATOM 0 HE21 GLN A 15 -5.999 6.377 -27.580 1.00 13.42 H new ATOM 0 HE22 GLN A 15 -5.896 7.581 -28.869 1.00 13.42 H new ATOM 244 N ASP A 16 -10.191 5.066 -29.662 1.00 52.25 N ATOM 245 CA ASP A 16 -11.364 5.593 -30.351 1.00 44.13 C ATOM 246 C ASP A 16 -11.450 5.046 -31.773 1.00 11.12 C ATOM 247 O ASP A 16 -12.435 4.408 -32.144 1.00 33.22 O ATOM 248 CB ASP A 16 -11.320 7.122 -30.381 1.00 62.45 C ATOM 249 CG ASP A 16 -11.607 7.736 -29.026 1.00 21.15 C ATOM 250 OD1 ASP A 16 -11.037 7.256 -28.023 1.00 62.44 O ATOM 251 OD2 ASP A 16 -12.401 8.698 -28.967 1.00 31.44 O ATOM 0 H ASP A 16 -9.499 5.771 -29.407 1.00 52.25 H new ATOM 0 HA ASP A 16 -12.251 5.274 -29.804 1.00 44.13 H new ATOM 0 HB2 ASP A 16 -10.338 7.448 -30.723 1.00 62.45 H new ATOM 0 HB3 ASP A 16 -12.048 7.489 -31.105 1.00 62.45 H new ATOM 256 N ARG A 17 -10.413 5.302 -32.564 1.00 32.32 N ATOM 257 CA ARG A 17 -10.373 4.837 -33.945 1.00 72.01 C ATOM 258 C ARG A 17 -9.605 3.523 -34.055 1.00 1.23 C ATOM 259 O ARG A 17 -9.820 2.742 -34.982 1.00 23.35 O ATOM 260 CB ARG A 17 -9.728 5.894 -34.843 1.00 4.23 C ATOM 261 CG ARG A 17 -10.667 7.027 -35.223 1.00 75.40 C ATOM 262 CD ARG A 17 -10.192 7.748 -36.474 1.00 54.52 C ATOM 263 NE ARG A 17 -11.019 7.432 -37.636 1.00 22.20 N ATOM 264 CZ ARG A 17 -11.003 8.135 -38.763 1.00 23.11 C ATOM 265 NH1 ARG A 17 -10.206 9.189 -38.879 1.00 75.45 N ATOM 266 NH2 ARG A 17 -11.784 7.784 -39.776 1.00 60.04 N ATOM 0 H ARG A 17 -9.590 5.829 -32.272 1.00 32.32 H new ATOM 0 HA ARG A 17 -11.398 4.667 -34.274 1.00 72.01 H new ATOM 0 HB2 ARG A 17 -8.859 6.310 -34.333 1.00 4.23 H new ATOM 0 HB3 ARG A 17 -9.365 5.414 -35.752 1.00 4.23 H new ATOM 0 HG2 ARG A 17 -11.669 6.631 -35.388 1.00 75.40 H new ATOM 0 HG3 ARG A 17 -10.737 7.736 -34.398 1.00 75.40 H new ATOM 0 HD2 ARG A 17 -10.207 8.824 -36.300 1.00 54.52 H new ATOM 0 HD3 ARG A 17 -9.158 7.473 -36.680 1.00 54.52 H new ATOM 0 HE ARG A 17 -11.643 6.627 -37.579 1.00 22.20 H new ATOM 0 HH11 ARG A 17 -9.604 9.461 -38.102 1.00 75.45 H new ATOM 0 HH12 ARG A 17 -10.195 9.727 -39.745 1.00 75.45 H new ATOM 0 HH21 ARG A 17 -12.398 6.974 -39.690 1.00 60.04 H new ATOM 0 HH22 ARG A 17 -11.771 8.324 -40.641 1.00 60.04 H new ATOM 280 N PHE A 18 -8.708 3.287 -33.103 1.00 32.02 N ATOM 281 CA PHE A 18 -7.907 2.069 -33.093 1.00 65.10 C ATOM 282 C PHE A 18 -8.627 0.950 -32.346 1.00 65.11 C ATOM 283 O PHE A 18 -9.498 1.188 -31.510 1.00 54.11 O ATOM 284 CB PHE A 18 -6.545 2.334 -32.448 1.00 1.44 C ATOM 285 CG PHE A 18 -5.405 2.321 -33.426 1.00 31.03 C ATOM 286 CD1 PHE A 18 -5.452 3.093 -34.575 1.00 73.34 C ATOM 287 CD2 PHE A 18 -4.287 1.536 -33.196 1.00 4.25 C ATOM 288 CE1 PHE A 18 -4.405 3.083 -35.477 1.00 61.04 C ATOM 289 CE2 PHE A 18 -3.236 1.523 -34.094 1.00 31.24 C ATOM 290 CZ PHE A 18 -3.296 2.296 -35.236 1.00 41.15 C ATOM 0 H PHE A 18 -8.518 3.923 -32.329 1.00 32.02 H new ATOM 0 HA PHE A 18 -7.757 1.754 -34.126 1.00 65.10 H new ATOM 0 HB2 PHE A 18 -6.572 3.301 -31.946 1.00 1.44 H new ATOM 0 HB3 PHE A 18 -6.363 1.582 -31.680 1.00 1.44 H new ATOM 0 HD1 PHE A 18 -6.317 3.710 -34.768 1.00 73.34 H new ATOM 0 HD2 PHE A 18 -4.236 0.927 -32.305 1.00 4.25 H new ATOM 0 HE1 PHE A 18 -4.454 3.690 -36.369 1.00 61.04 H new ATOM 0 HE2 PHE A 18 -2.369 0.909 -33.902 1.00 31.24 H new ATOM 0 HZ PHE A 18 -2.477 2.285 -35.940 1.00 41.15 H new ATOM 300 N PRO A 19 -8.254 -0.301 -32.654 1.00 74.33 N ATOM 301 CA PRO A 19 -8.851 -1.483 -32.024 1.00 55.42 C ATOM 302 C PRO A 19 -8.454 -1.621 -30.558 1.00 54.15 C ATOM 303 O PRO A 19 -7.887 -0.700 -29.970 1.00 34.30 O ATOM 304 CB PRO A 19 -8.286 -2.645 -32.843 1.00 71.54 C ATOM 305 CG PRO A 19 -7.006 -2.128 -33.402 1.00 63.01 C ATOM 306 CD PRO A 19 -7.222 -0.659 -33.641 1.00 62.22 C ATOM 0 HA PRO A 19 -9.940 -1.437 -32.020 1.00 55.42 H new ATOM 0 HB2 PRO A 19 -8.120 -3.524 -32.220 1.00 71.54 H new ATOM 0 HB3 PRO A 19 -8.973 -2.941 -33.636 1.00 71.54 H new ATOM 0 HG2 PRO A 19 -6.182 -2.293 -32.708 1.00 63.01 H new ATOM 0 HG3 PRO A 19 -6.750 -2.641 -34.329 1.00 63.01 H new ATOM 0 HD2 PRO A 19 -6.306 -0.088 -33.489 1.00 62.22 H new ATOM 0 HD3 PRO A 19 -7.555 -0.462 -34.660 1.00 62.22 H new ATOM 314 N TRP A 20 -8.755 -2.776 -29.976 1.00 11.44 N ATOM 315 CA TRP A 20 -8.428 -3.034 -28.578 1.00 15.23 C ATOM 316 C TRP A 20 -7.204 -3.935 -28.462 1.00 40.12 C ATOM 317 O TRP A 20 -7.185 -5.043 -28.998 1.00 11.00 O ATOM 318 CB TRP A 20 -9.619 -3.677 -27.865 1.00 12.33 C ATOM 319 CG TRP A 20 -10.250 -4.789 -28.647 1.00 24.35 C ATOM 320 CD1 TRP A 20 -11.246 -4.677 -29.574 1.00 64.12 C ATOM 321 CD2 TRP A 20 -9.928 -6.182 -28.567 1.00 64.10 C ATOM 322 NE1 TRP A 20 -11.562 -5.916 -30.076 1.00 72.41 N ATOM 323 CE2 TRP A 20 -10.767 -6.856 -29.475 1.00 73.22 C ATOM 324 CE3 TRP A 20 -9.010 -6.925 -27.819 1.00 35.01 C ATOM 325 CZ2 TRP A 20 -10.716 -8.236 -29.652 1.00 71.31 C ATOM 326 CZ3 TRP A 20 -8.961 -8.295 -27.995 1.00 52.34 C ATOM 327 CH2 TRP A 20 -9.809 -8.939 -28.906 1.00 42.25 C ATOM 0 H TRP A 20 -9.224 -3.548 -30.449 1.00 11.44 H new ATOM 0 HA TRP A 20 -8.200 -2.080 -28.102 1.00 15.23 H new ATOM 0 HB2 TRP A 20 -9.291 -4.062 -26.900 1.00 12.33 H new ATOM 0 HB3 TRP A 20 -10.369 -2.912 -27.664 1.00 12.33 H new ATOM 0 HD1 TRP A 20 -11.716 -3.751 -29.869 1.00 64.12 H new ATOM 0 HE1 TRP A 20 -12.273 -6.105 -30.782 1.00 72.41 H new ATOM 0 HE3 TRP A 20 -8.351 -6.437 -27.116 1.00 35.01 H new ATOM 0 HZ2 TRP A 20 -11.369 -8.734 -30.353 1.00 71.31 H new ATOM 0 HZ3 TRP A 20 -8.257 -8.879 -27.421 1.00 52.34 H new ATOM 0 HH2 TRP A 20 -9.746 -10.011 -29.022 1.00 42.25 H new ATOM 338 N TRP A 21 -6.185 -3.453 -27.761 1.00 5.03 N ATOM 339 CA TRP A 21 -4.956 -4.217 -27.575 1.00 43.44 C ATOM 340 C TRP A 21 -4.641 -4.391 -26.094 1.00 35.23 C ATOM 341 O TRP A 21 -5.042 -3.588 -25.251 1.00 41.10 O ATOM 342 CB TRP A 21 -3.788 -3.522 -28.279 1.00 14.04 C ATOM 343 CG TRP A 21 -3.872 -3.588 -29.774 1.00 4.24 C ATOM 344 CD1 TRP A 21 -3.921 -2.532 -30.639 1.00 32.40 C ATOM 345 CD2 TRP A 21 -3.917 -4.771 -30.578 1.00 62.31 C ATOM 346 NE1 TRP A 21 -3.995 -2.989 -31.933 1.00 44.50 N ATOM 347 CE2 TRP A 21 -3.992 -4.358 -31.923 1.00 35.32 C ATOM 348 CE3 TRP A 21 -3.899 -6.139 -30.294 1.00 25.31 C ATOM 349 CZ2 TRP A 21 -4.051 -5.265 -32.977 1.00 70.35 C ATOM 350 CZ3 TRP A 21 -3.957 -7.038 -31.342 1.00 31.22 C ATOM 351 CH2 TRP A 21 -4.032 -6.599 -32.670 1.00 43.42 C ATOM 0 H TRP A 21 -6.185 -2.537 -27.312 1.00 5.03 H new ATOM 0 HA TRP A 21 -5.102 -5.204 -28.014 1.00 43.44 H new ATOM 0 HB2 TRP A 21 -3.756 -2.477 -27.970 1.00 14.04 H new ATOM 0 HB3 TRP A 21 -2.853 -3.979 -27.954 1.00 14.04 H new ATOM 0 HD1 TRP A 21 -3.904 -1.492 -30.349 1.00 32.40 H new ATOM 0 HE1 TRP A 21 -4.044 -2.403 -32.766 1.00 44.50 H new ATOM 0 HE3 TRP A 21 -3.841 -6.488 -29.273 1.00 25.31 H new ATOM 0 HZ2 TRP A 21 -4.110 -4.928 -34.001 1.00 70.35 H new ATOM 0 HZ3 TRP A 21 -3.944 -8.098 -31.133 1.00 31.22 H new ATOM 0 HH2 TRP A 21 -4.076 -7.327 -33.467 1.00 43.42 H new ATOM 362 N PRO A 22 -3.907 -5.465 -25.766 1.00 15.23 N ATOM 363 CA PRO A 22 -3.523 -5.769 -24.384 1.00 41.22 C ATOM 364 C PRO A 22 -2.499 -4.780 -23.836 1.00 55.05 C ATOM 365 O PRO A 22 -1.656 -4.272 -24.574 1.00 54.42 O ATOM 366 CB PRO A 22 -2.912 -7.169 -24.486 1.00 14.11 C ATOM 367 CG PRO A 22 -2.433 -7.272 -25.893 1.00 11.14 C ATOM 368 CD PRO A 22 -3.396 -6.464 -26.718 1.00 71.54 C ATOM 0 HA PRO A 22 -4.371 -5.707 -23.702 1.00 41.22 H new ATOM 0 HB2 PRO A 22 -2.092 -7.296 -23.779 1.00 14.11 H new ATOM 0 HB3 PRO A 22 -3.649 -7.940 -24.261 1.00 14.11 H new ATOM 0 HG2 PRO A 22 -1.418 -6.887 -25.989 1.00 11.14 H new ATOM 0 HG3 PRO A 22 -2.412 -8.311 -26.223 1.00 11.14 H new ATOM 0 HD2 PRO A 22 -2.901 -5.993 -27.567 1.00 71.54 H new ATOM 0 HD3 PRO A 22 -4.198 -7.083 -27.120 1.00 71.54 H new ATOM 376 N GLY A 23 -2.579 -4.512 -22.537 1.00 12.35 N ATOM 377 CA GLY A 23 -1.653 -3.585 -21.912 1.00 55.33 C ATOM 378 C GLY A 23 -1.562 -3.779 -20.412 1.00 2.02 C ATOM 379 O GLY A 23 -2.581 -3.864 -19.726 1.00 62.01 O ATOM 0 H GLY A 23 -3.268 -4.920 -21.906 1.00 12.35 H new ATOM 0 HA2 GLY A 23 -0.664 -3.712 -22.352 1.00 55.33 H new ATOM 0 HA3 GLY A 23 -1.968 -2.563 -22.125 1.00 55.33 H new ATOM 383 N PHE A 24 -0.338 -3.851 -19.900 1.00 24.22 N ATOM 384 CA PHE A 24 -0.117 -4.040 -18.471 1.00 5.42 C ATOM 385 C PHE A 24 -0.208 -2.711 -17.726 1.00 41.24 C ATOM 386 O PHE A 24 0.414 -1.723 -18.118 1.00 12.11 O ATOM 387 CB PHE A 24 1.250 -4.682 -18.225 1.00 3.11 C ATOM 388 CG PHE A 24 1.665 -5.641 -19.304 1.00 53.10 C ATOM 389 CD1 PHE A 24 2.899 -5.518 -19.922 1.00 31.33 C ATOM 390 CD2 PHE A 24 0.820 -6.665 -19.701 1.00 52.11 C ATOM 391 CE1 PHE A 24 3.284 -6.399 -20.915 1.00 35.31 C ATOM 392 CE2 PHE A 24 1.199 -7.549 -20.693 1.00 62.12 C ATOM 393 CZ PHE A 24 2.432 -7.415 -21.302 1.00 30.53 C ATOM 0 H PHE A 24 0.516 -3.781 -20.453 1.00 24.22 H new ATOM 0 HA PHE A 24 -0.896 -4.703 -18.093 1.00 5.42 H new ATOM 0 HB2 PHE A 24 2.001 -3.897 -18.139 1.00 3.11 H new ATOM 0 HB3 PHE A 24 1.229 -5.208 -17.271 1.00 3.11 H new ATOM 0 HD1 PHE A 24 3.568 -4.724 -19.624 1.00 31.33 H new ATOM 0 HD2 PHE A 24 -0.146 -6.773 -19.230 1.00 52.11 H new ATOM 0 HE1 PHE A 24 4.249 -6.293 -21.388 1.00 35.31 H new ATOM 0 HE2 PHE A 24 0.532 -8.344 -20.992 1.00 62.12 H new ATOM 0 HZ PHE A 24 2.729 -8.103 -22.079 1.00 30.53 H new ATOM 403 N VAL A 25 -0.988 -2.694 -16.650 1.00 73.44 N ATOM 404 CA VAL A 25 -1.162 -1.488 -15.850 1.00 23.20 C ATOM 405 C VAL A 25 -0.015 -1.316 -14.860 1.00 42.34 C ATOM 406 O VAL A 25 0.176 -2.140 -13.966 1.00 40.35 O ATOM 407 CB VAL A 25 -2.493 -1.515 -15.076 1.00 52.42 C ATOM 408 CG1 VAL A 25 -2.634 -0.271 -14.212 1.00 43.53 C ATOM 409 CG2 VAL A 25 -3.665 -1.641 -16.038 1.00 32.22 C ATOM 0 H VAL A 25 -1.510 -3.503 -16.312 1.00 73.44 H new ATOM 0 HA VAL A 25 -1.170 -0.647 -16.543 1.00 23.20 H new ATOM 0 HB VAL A 25 -2.495 -2.386 -14.420 1.00 52.42 H new ATOM 0 HG11 VAL A 25 -3.581 -0.308 -13.673 1.00 43.53 H new ATOM 0 HG12 VAL A 25 -1.811 -0.228 -13.498 1.00 43.53 H new ATOM 0 HG13 VAL A 25 -2.611 0.616 -14.845 1.00 43.53 H new ATOM 0 HG21 VAL A 25 -4.598 -1.659 -15.475 1.00 32.22 H new ATOM 0 HG22 VAL A 25 -3.669 -0.791 -16.720 1.00 32.22 H new ATOM 0 HG23 VAL A 25 -3.569 -2.564 -16.610 1.00 32.22 H new ATOM 419 N MET A 26 0.746 -0.239 -15.027 1.00 11.25 N ATOM 420 CA MET A 26 1.874 0.043 -14.146 1.00 72.11 C ATOM 421 C MET A 26 1.903 1.517 -13.755 1.00 21.14 C ATOM 422 O MET A 26 1.614 2.392 -14.572 1.00 23.45 O ATOM 423 CB MET A 26 3.189 -0.342 -14.827 1.00 75.12 C ATOM 424 CG MET A 26 3.212 -1.773 -15.339 1.00 35.32 C ATOM 425 SD MET A 26 4.759 -2.620 -14.964 1.00 73.12 S ATOM 426 CE MET A 26 4.451 -3.161 -13.285 1.00 12.23 C ATOM 0 H MET A 26 0.602 0.452 -15.763 1.00 11.25 H new ATOM 0 HA MET A 26 1.754 -0.552 -13.241 1.00 72.11 H new ATOM 0 HB2 MET A 26 3.369 0.336 -15.661 1.00 75.12 H new ATOM 0 HB3 MET A 26 4.008 -0.204 -14.121 1.00 75.12 H new ATOM 0 HG2 MET A 26 2.383 -2.326 -14.897 1.00 35.32 H new ATOM 0 HG3 MET A 26 3.055 -1.771 -16.418 1.00 35.32 H new ATOM 0 HE1 MET A 26 5.320 -3.703 -12.912 1.00 12.23 H new ATOM 0 HE2 MET A 26 4.265 -2.294 -12.652 1.00 12.23 H new ATOM 0 HE3 MET A 26 3.580 -3.817 -13.268 1.00 12.23 H new ATOM 436 N ASP A 27 2.253 1.785 -12.501 1.00 70.44 N ATOM 437 CA ASP A 27 2.321 3.153 -12.002 1.00 55.22 C ATOM 438 C ASP A 27 3.685 3.771 -12.293 1.00 54.12 C ATOM 439 O ASP A 27 4.715 3.098 -12.275 1.00 21.33 O ATOM 440 CB ASP A 27 2.043 3.184 -10.498 1.00 50.44 C ATOM 441 CG ASP A 27 0.941 4.159 -10.133 1.00 54.13 C ATOM 442 OD1 ASP A 27 1.017 4.760 -9.041 1.00 22.21 O ATOM 443 OD2 ASP A 27 0.002 4.322 -10.940 1.00 71.22 O ATOM 0 H ASP A 27 2.494 1.072 -11.812 1.00 70.44 H new ATOM 0 HA ASP A 27 1.560 3.740 -12.517 1.00 55.22 H new ATOM 0 HB2 ASP A 27 1.766 2.185 -10.162 1.00 50.44 H new ATOM 0 HB3 ASP A 27 2.956 3.457 -9.968 1.00 50.44 H new ATOM 448 N PRO A 28 3.693 5.084 -12.570 1.00 22.52 N ATOM 449 CA PRO A 28 4.924 5.821 -12.871 1.00 12.03 C ATOM 450 C PRO A 28 5.822 5.973 -11.648 1.00 63.00 C ATOM 451 O PRO A 28 7.047 5.901 -11.753 1.00 32.31 O ATOM 452 CB PRO A 28 4.414 7.188 -13.333 1.00 10.32 C ATOM 453 CG PRO A 28 3.081 7.335 -12.684 1.00 30.41 C ATOM 454 CD PRO A 28 2.502 5.949 -12.609 1.00 63.34 C ATOM 0 HA PRO A 28 5.537 5.307 -13.611 1.00 12.03 H new ATOM 0 HB2 PRO A 28 5.092 7.986 -13.030 1.00 10.32 H new ATOM 0 HB3 PRO A 28 4.333 7.234 -14.419 1.00 10.32 H new ATOM 0 HG2 PRO A 28 3.177 7.772 -11.690 1.00 30.41 H new ATOM 0 HG3 PRO A 28 2.436 7.997 -13.262 1.00 30.41 H new ATOM 0 HD2 PRO A 28 1.882 5.820 -11.722 1.00 63.34 H new ATOM 0 HD3 PRO A 28 1.873 5.729 -13.472 1.00 63.34 H new ATOM 462 N ASP A 29 5.207 6.183 -10.490 1.00 13.22 N ATOM 463 CA ASP A 29 5.951 6.344 -9.246 1.00 62.22 C ATOM 464 C ASP A 29 5.005 6.569 -8.071 1.00 54.34 C ATOM 465 O ASP A 29 5.185 7.500 -7.287 1.00 52.34 O ATOM 466 CB ASP A 29 6.930 7.513 -9.360 1.00 40.53 C ATOM 467 CG ASP A 29 6.334 8.697 -10.097 1.00 4.21 C ATOM 468 OD1 ASP A 29 6.685 8.899 -11.279 1.00 31.43 O ATOM 469 OD2 ASP A 29 5.517 9.422 -9.492 1.00 30.41 O ATOM 0 H ASP A 29 4.194 6.246 -10.386 1.00 13.22 H new ATOM 0 HA ASP A 29 6.512 5.427 -9.066 1.00 62.22 H new ATOM 0 HB2 ASP A 29 7.235 7.826 -8.362 1.00 40.53 H new ATOM 0 HB3 ASP A 29 7.829 7.181 -9.879 1.00 40.53 H new ATOM 474 N GLU A 30 3.996 5.711 -7.958 1.00 12.04 N ATOM 475 CA GLU A 30 3.020 5.819 -6.879 1.00 61.33 C ATOM 476 C GLU A 30 2.267 7.144 -6.957 1.00 61.32 C ATOM 477 O GLU A 30 2.524 8.063 -6.180 1.00 41.43 O ATOM 478 CB GLU A 30 3.712 5.692 -5.521 1.00 4.14 C ATOM 479 CG GLU A 30 3.671 4.287 -4.945 1.00 33.41 C ATOM 480 CD GLU A 30 4.359 4.188 -3.597 1.00 74.42 C ATOM 481 OE1 GLU A 30 4.906 3.108 -3.289 1.00 42.22 O ATOM 482 OE2 GLU A 30 4.349 5.188 -2.851 1.00 3.53 O ATOM 0 H GLU A 30 3.833 4.935 -8.599 1.00 12.04 H new ATOM 0 HA GLU A 30 2.302 5.006 -6.990 1.00 61.33 H new ATOM 0 HB2 GLU A 30 4.752 6.004 -5.622 1.00 4.14 H new ATOM 0 HB3 GLU A 30 3.241 6.378 -4.817 1.00 4.14 H new ATOM 0 HG2 GLU A 30 2.633 3.971 -4.843 1.00 33.41 H new ATOM 0 HG3 GLU A 30 4.147 3.598 -5.643 1.00 33.41 H new ATOM 489 N VAL A 31 1.336 7.234 -7.902 1.00 31.25 N ATOM 490 CA VAL A 31 0.545 8.445 -8.082 1.00 14.01 C ATOM 491 C VAL A 31 -0.819 8.315 -7.413 1.00 53.11 C ATOM 492 O VAL A 31 -1.731 9.097 -7.683 1.00 73.20 O ATOM 493 CB VAL A 31 0.344 8.767 -9.575 1.00 14.14 C ATOM 494 CG1 VAL A 31 1.654 9.212 -10.206 1.00 52.02 C ATOM 495 CG2 VAL A 31 -0.229 7.563 -10.307 1.00 22.33 C ATOM 0 H VAL A 31 1.112 6.483 -8.554 1.00 31.25 H new ATOM 0 HA VAL A 31 1.100 9.258 -7.614 1.00 14.01 H new ATOM 0 HB VAL A 31 -0.369 9.587 -9.660 1.00 14.14 H new ATOM 0 HG11 VAL A 31 1.493 9.435 -11.261 1.00 52.02 H new ATOM 0 HG12 VAL A 31 2.018 10.105 -9.698 1.00 52.02 H new ATOM 0 HG13 VAL A 31 2.392 8.415 -10.113 1.00 52.02 H new ATOM 0 HG21 VAL A 31 -0.365 7.808 -11.360 1.00 22.33 H new ATOM 0 HG22 VAL A 31 0.457 6.721 -10.216 1.00 22.33 H new ATOM 0 HG23 VAL A 31 -1.191 7.296 -9.870 1.00 22.33 H new ATOM 505 N ARG A 32 -0.951 7.323 -6.539 1.00 34.11 N ATOM 506 CA ARG A 32 -2.205 7.090 -5.831 1.00 64.23 C ATOM 507 C ARG A 32 -2.241 7.868 -4.520 1.00 13.45 C ATOM 508 O ARG A 32 -3.313 8.211 -4.019 1.00 43.44 O ATOM 509 CB ARG A 32 -2.389 5.596 -5.556 1.00 12.43 C ATOM 510 CG ARG A 32 -2.680 4.778 -6.803 1.00 50.23 C ATOM 511 CD ARG A 32 -4.131 4.920 -7.237 1.00 23.13 C ATOM 512 NE ARG A 32 -5.040 4.199 -6.350 1.00 1.34 N ATOM 513 CZ ARG A 32 -6.362 4.227 -6.473 1.00 33.41 C ATOM 514 NH1 ARG A 32 -6.927 4.935 -7.441 1.00 64.55 N ATOM 515 NH2 ARG A 32 -7.123 3.544 -5.626 1.00 41.24 N ATOM 0 H ARG A 32 -0.206 6.668 -6.304 1.00 34.11 H new ATOM 0 HA ARG A 32 -3.021 7.440 -6.463 1.00 64.23 H new ATOM 0 HB2 ARG A 32 -1.488 5.209 -5.080 1.00 12.43 H new ATOM 0 HB3 ARG A 32 -3.206 5.464 -4.846 1.00 12.43 H new ATOM 0 HG2 ARG A 32 -2.024 5.100 -7.612 1.00 50.23 H new ATOM 0 HG3 ARG A 32 -2.458 3.728 -6.611 1.00 50.23 H new ATOM 0 HD2 ARG A 32 -4.403 5.975 -7.254 1.00 23.13 H new ATOM 0 HD3 ARG A 32 -4.244 4.545 -8.254 1.00 23.13 H new ATOM 0 HE ARG A 32 -4.638 3.644 -5.595 1.00 1.34 H new ATOM 0 HH11 ARG A 32 -6.346 5.460 -8.094 1.00 64.55 H new ATOM 0 HH12 ARG A 32 -7.943 4.954 -7.533 1.00 64.55 H new ATOM 0 HH21 ARG A 32 -6.692 2.997 -4.880 1.00 41.24 H new ATOM 0 HH22 ARG A 32 -8.138 3.566 -5.721 1.00 41.24 H new ATOM 529 N ASP A 33 -1.065 8.143 -3.968 1.00 4.13 N ATOM 530 CA ASP A 33 -0.962 8.882 -2.714 1.00 64.54 C ATOM 531 C ASP A 33 -0.505 10.315 -2.964 1.00 50.54 C ATOM 532 O ASP A 33 -0.919 11.240 -2.264 1.00 25.22 O ATOM 533 CB ASP A 33 0.011 8.182 -1.764 1.00 22.21 C ATOM 534 CG ASP A 33 -0.683 7.604 -0.546 1.00 55.34 C ATOM 535 OD1 ASP A 33 -1.661 6.847 -0.724 1.00 52.50 O ATOM 536 OD2 ASP A 33 -0.249 7.908 0.584 1.00 40.31 O ATOM 0 H ASP A 33 -0.169 7.866 -4.369 1.00 4.13 H new ATOM 0 HA ASP A 33 -1.950 8.910 -2.255 1.00 64.54 H new ATOM 0 HB2 ASP A 33 0.525 7.383 -2.299 1.00 22.21 H new ATOM 0 HB3 ASP A 33 0.773 8.891 -1.442 1.00 22.21 H new ATOM 541 N ILE A 34 0.350 10.493 -3.966 1.00 31.40 N ATOM 542 CA ILE A 34 0.862 11.814 -4.308 1.00 22.32 C ATOM 543 C ILE A 34 0.392 12.244 -5.693 1.00 64.02 C ATOM 544 O ILE A 34 0.823 11.693 -6.707 1.00 21.32 O ATOM 545 CB ILE A 34 2.401 11.849 -4.266 1.00 64.32 C ATOM 546 CG1 ILE A 34 2.906 11.427 -2.885 1.00 33.53 C ATOM 547 CG2 ILE A 34 2.909 13.239 -4.620 1.00 23.44 C ATOM 548 CD1 ILE A 34 3.513 10.041 -2.861 1.00 10.35 C ATOM 0 H ILE A 34 0.703 9.739 -4.555 1.00 31.40 H new ATOM 0 HA ILE A 34 0.471 12.507 -3.563 1.00 22.32 H new ATOM 0 HB ILE A 34 2.786 11.144 -5.003 1.00 64.32 H new ATOM 0 HG12 ILE A 34 3.650 12.147 -2.544 1.00 33.53 H new ATOM 0 HG13 ILE A 34 2.078 11.465 -2.177 1.00 33.53 H new ATOM 0 HG21 ILE A 34 3.998 13.248 -4.586 1.00 23.44 H new ATOM 0 HG22 ILE A 34 2.575 13.504 -5.623 1.00 23.44 H new ATOM 0 HG23 ILE A 34 2.518 13.962 -3.905 1.00 23.44 H new ATOM 0 HD11 ILE A 34 3.849 9.809 -1.851 1.00 10.35 H new ATOM 0 HD12 ILE A 34 2.765 9.311 -3.172 1.00 10.35 H new ATOM 0 HD13 ILE A 34 4.362 10.004 -3.544 1.00 10.35 H new ATOM 560 N THR A 35 -0.493 13.235 -5.731 1.00 35.44 N ATOM 561 CA THR A 35 -1.022 13.740 -6.991 1.00 41.32 C ATOM 562 C THR A 35 -0.292 15.007 -7.425 1.00 32.52 C ATOM 563 O THR A 35 -0.523 16.086 -6.879 1.00 0.24 O ATOM 564 CB THR A 35 -2.529 14.040 -6.889 1.00 34.43 C ATOM 565 OG1 THR A 35 -2.785 14.886 -5.763 1.00 13.52 O ATOM 566 CG2 THR A 35 -3.329 12.752 -6.754 1.00 3.44 C ATOM 0 H THR A 35 -0.859 13.704 -4.902 1.00 35.44 H new ATOM 0 HA THR A 35 -0.864 12.959 -7.735 1.00 41.32 H new ATOM 0 HB THR A 35 -2.839 14.548 -7.802 1.00 34.43 H new ATOM 0 HG1 THR A 35 -2.113 15.598 -5.729 1.00 13.52 H new ATOM 0 HG21 THR A 35 -4.391 12.989 -6.684 1.00 3.44 H new ATOM 0 HG22 THR A 35 -3.155 12.122 -7.626 1.00 3.44 H new ATOM 0 HG23 THR A 35 -3.015 12.221 -5.855 1.00 3.44 H new ATOM 574 N LEU A 36 0.588 14.868 -8.410 1.00 4.34 N ATOM 575 CA LEU A 36 1.352 16.003 -8.918 1.00 22.42 C ATOM 576 C LEU A 36 0.998 16.289 -10.374 1.00 25.04 C ATOM 577 O LEU A 36 0.579 15.405 -11.122 1.00 1.55 O ATOM 578 CB LEU A 36 2.852 15.731 -8.789 1.00 42.24 C ATOM 579 CG LEU A 36 3.611 16.611 -7.795 1.00 52.13 C ATOM 580 CD1 LEU A 36 3.929 15.833 -6.528 1.00 61.32 C ATOM 581 CD2 LEU A 36 4.886 17.151 -8.426 1.00 50.21 C ATOM 0 H LEU A 36 0.790 13.982 -8.873 1.00 4.34 H new ATOM 0 HA LEU A 36 1.095 16.879 -8.322 1.00 22.42 H new ATOM 0 HB2 LEU A 36 2.988 14.689 -8.499 1.00 42.24 H new ATOM 0 HB3 LEU A 36 3.308 15.851 -9.772 1.00 42.24 H new ATOM 0 HG LEU A 36 2.976 17.456 -7.528 1.00 52.13 H new ATOM 0 HD11 LEU A 36 4.469 16.475 -5.833 1.00 61.32 H new ATOM 0 HD12 LEU A 36 3.001 15.496 -6.065 1.00 61.32 H new ATOM 0 HD13 LEU A 36 4.545 14.969 -6.777 1.00 61.32 H new ATOM 0 HD21 LEU A 36 5.413 17.775 -7.704 1.00 50.21 H new ATOM 0 HD22 LEU A 36 5.526 16.320 -8.722 1.00 50.21 H new ATOM 0 HD23 LEU A 36 4.634 17.746 -9.304 1.00 50.21 H new ATOM 593 N PRO A 37 1.173 17.553 -10.788 1.00 33.24 N ATOM 594 CA PRO A 37 0.880 17.984 -12.158 1.00 5.43 C ATOM 595 C PRO A 37 1.869 17.413 -13.169 1.00 11.43 C ATOM 596 O PRO A 37 3.081 17.475 -12.967 1.00 42.13 O ATOM 597 CB PRO A 37 1.010 19.508 -12.085 1.00 21.11 C ATOM 598 CG PRO A 37 1.934 19.755 -10.943 1.00 45.31 C ATOM 599 CD PRO A 37 1.669 18.658 -9.950 1.00 61.32 C ATOM 0 HA PRO A 37 -0.099 17.641 -12.493 1.00 5.43 H new ATOM 0 HB2 PRO A 37 1.410 19.916 -13.013 1.00 21.11 H new ATOM 0 HB3 PRO A 37 0.042 19.981 -11.920 1.00 21.11 H new ATOM 0 HG2 PRO A 37 2.973 19.741 -11.272 1.00 45.31 H new ATOM 0 HG3 PRO A 37 1.753 20.734 -10.500 1.00 45.31 H new ATOM 0 HD2 PRO A 37 2.573 18.378 -9.409 1.00 61.32 H new ATOM 0 HD3 PRO A 37 0.933 18.959 -9.205 1.00 61.32 H new ATOM 607 N GLU A 38 1.342 16.858 -14.256 1.00 3.51 N ATOM 608 CA GLU A 38 2.180 16.276 -15.298 1.00 1.32 C ATOM 609 C GLU A 38 1.360 15.970 -16.548 1.00 1.42 C ATOM 610 O GLU A 38 1.575 16.562 -17.605 1.00 24.21 O ATOM 611 CB GLU A 38 2.851 14.999 -14.789 1.00 72.52 C ATOM 612 CG GLU A 38 3.744 14.329 -15.819 1.00 65.34 C ATOM 613 CD GLU A 38 5.214 14.402 -15.453 1.00 41.40 C ATOM 614 OE1 GLU A 38 5.623 13.707 -14.499 1.00 55.31 O ATOM 615 OE2 GLU A 38 5.955 15.155 -16.119 1.00 63.43 O ATOM 0 H GLU A 38 0.340 16.799 -14.438 1.00 3.51 H new ATOM 0 HA GLU A 38 2.949 17.003 -15.559 1.00 1.32 H new ATOM 0 HB2 GLU A 38 3.444 15.237 -13.906 1.00 72.52 H new ATOM 0 HB3 GLU A 38 2.081 14.294 -14.475 1.00 72.52 H new ATOM 0 HG2 GLU A 38 3.451 13.284 -15.924 1.00 65.34 H new ATOM 0 HG3 GLU A 38 3.591 14.802 -16.789 1.00 65.34 H new ATOM 622 N GLY A 39 0.418 15.041 -16.418 1.00 22.20 N ATOM 623 CA GLY A 39 -0.420 14.671 -17.544 1.00 4.32 C ATOM 624 C GLY A 39 -0.515 13.170 -17.727 1.00 71.32 C ATOM 625 O GLY A 39 -1.323 12.684 -18.519 1.00 12.41 O ATOM 0 H GLY A 39 0.220 14.538 -15.553 1.00 22.20 H new ATOM 0 HA2 GLY A 39 -1.420 15.080 -17.399 1.00 4.32 H new ATOM 0 HA3 GLY A 39 -0.021 15.120 -18.453 1.00 4.32 H new ATOM 629 N SER A 40 0.313 12.432 -16.995 1.00 21.31 N ATOM 630 CA SER A 40 0.322 10.976 -17.085 1.00 3.33 C ATOM 631 C SER A 40 0.384 10.347 -15.696 1.00 71.23 C ATOM 632 O SER A 40 1.408 10.415 -15.016 1.00 40.24 O ATOM 633 CB SER A 40 1.510 10.504 -17.925 1.00 25.55 C ATOM 634 OG SER A 40 2.585 11.425 -17.852 1.00 72.22 O ATOM 0 H SER A 40 0.986 12.818 -16.333 1.00 21.31 H new ATOM 0 HA SER A 40 -0.603 10.660 -17.567 1.00 3.33 H new ATOM 0 HB2 SER A 40 1.841 9.526 -17.575 1.00 25.55 H new ATOM 0 HB3 SER A 40 1.200 10.383 -18.963 1.00 25.55 H new ATOM 0 HG SER A 40 3.332 11.099 -18.396 1.00 72.22 H new ATOM 640 N ASP A 41 -0.720 9.734 -15.282 1.00 44.11 N ATOM 641 CA ASP A 41 -0.792 9.091 -13.975 1.00 75.24 C ATOM 642 C ASP A 41 -0.723 7.573 -14.112 1.00 54.02 C ATOM 643 O ASP A 41 -0.241 6.880 -13.217 1.00 31.25 O ATOM 644 CB ASP A 41 -2.082 9.492 -13.257 1.00 5.43 C ATOM 645 CG ASP A 41 -1.821 10.062 -11.876 1.00 73.20 C ATOM 646 OD1 ASP A 41 -0.810 10.776 -11.709 1.00 53.13 O ATOM 647 OD2 ASP A 41 -2.629 9.794 -10.962 1.00 50.04 O ATOM 0 H ASP A 41 -1.576 9.669 -15.832 1.00 44.11 H new ATOM 0 HA ASP A 41 0.062 9.424 -13.385 1.00 75.24 H new ATOM 0 HB2 ASP A 41 -2.614 10.230 -13.857 1.00 5.43 H new ATOM 0 HB3 ASP A 41 -2.733 8.622 -13.171 1.00 5.43 H new ATOM 652 N VAL A 42 -1.210 7.063 -15.239 1.00 62.32 N ATOM 653 CA VAL A 42 -1.203 5.627 -15.494 1.00 14.14 C ATOM 654 C VAL A 42 -0.292 5.281 -16.665 1.00 62.24 C ATOM 655 O VAL A 42 -0.277 5.978 -17.680 1.00 63.41 O ATOM 656 CB VAL A 42 -2.621 5.103 -15.788 1.00 74.02 C ATOM 657 CG1 VAL A 42 -2.590 3.609 -16.075 1.00 11.54 C ATOM 658 CG2 VAL A 42 -3.555 5.412 -14.628 1.00 11.23 C ATOM 0 H VAL A 42 -1.614 7.623 -15.990 1.00 62.32 H new ATOM 0 HA VAL A 42 -0.826 5.147 -14.591 1.00 14.14 H new ATOM 0 HB VAL A 42 -3.000 5.611 -16.675 1.00 74.02 H new ATOM 0 HG11 VAL A 42 -3.601 3.257 -16.280 1.00 11.54 H new ATOM 0 HG12 VAL A 42 -1.956 3.418 -16.941 1.00 11.54 H new ATOM 0 HG13 VAL A 42 -2.191 3.080 -15.209 1.00 11.54 H new ATOM 0 HG21 VAL A 42 -4.552 5.034 -14.853 1.00 11.23 H new ATOM 0 HG22 VAL A 42 -3.182 4.933 -13.723 1.00 11.23 H new ATOM 0 HG23 VAL A 42 -3.601 6.490 -14.475 1.00 11.23 H new ATOM 668 N TRP A 43 0.466 4.200 -16.518 1.00 43.34 N ATOM 669 CA TRP A 43 1.381 3.761 -17.566 1.00 23.33 C ATOM 670 C TRP A 43 0.956 2.409 -18.128 1.00 22.43 C ATOM 671 O TRP A 43 1.080 1.381 -17.460 1.00 52.45 O ATOM 672 CB TRP A 43 2.808 3.675 -17.022 1.00 23.03 C ATOM 673 CG TRP A 43 3.836 4.233 -17.959 1.00 70.23 C ATOM 674 CD1 TRP A 43 3.763 5.409 -18.649 1.00 5.41 C ATOM 675 CD2 TRP A 43 5.089 3.636 -18.311 1.00 72.33 C ATOM 676 NE1 TRP A 43 4.896 5.580 -19.408 1.00 71.34 N ATOM 677 CE2 TRP A 43 5.725 4.506 -19.218 1.00 72.12 C ATOM 678 CE3 TRP A 43 5.736 2.452 -17.947 1.00 61.02 C ATOM 679 CZ2 TRP A 43 6.975 4.227 -19.765 1.00 15.11 C ATOM 680 CZ3 TRP A 43 6.976 2.177 -18.491 1.00 22.41 C ATOM 681 CH2 TRP A 43 7.585 3.061 -19.391 1.00 4.00 C ATOM 0 H TRP A 43 0.465 3.612 -15.685 1.00 43.34 H new ATOM 0 HA TRP A 43 1.350 4.494 -18.372 1.00 23.33 H new ATOM 0 HB2 TRP A 43 2.861 4.212 -16.075 1.00 23.03 H new ATOM 0 HB3 TRP A 43 3.047 2.632 -16.811 1.00 23.03 H new ATOM 0 HD1 TRP A 43 2.936 6.103 -18.605 1.00 5.41 H new ATOM 0 HE1 TRP A 43 5.088 6.377 -20.014 1.00 71.34 H new ATOM 0 HE3 TRP A 43 5.275 1.764 -17.253 1.00 61.02 H new ATOM 0 HZ2 TRP A 43 7.446 4.907 -20.460 1.00 15.11 H new ATOM 0 HZ3 TRP A 43 7.485 1.264 -18.218 1.00 22.41 H new ATOM 0 HH2 TRP A 43 8.555 2.817 -19.798 1.00 4.00 H new ATOM 692 N VAL A 44 0.455 2.415 -19.359 1.00 10.32 N ATOM 693 CA VAL A 44 0.013 1.188 -20.011 1.00 12.41 C ATOM 694 C VAL A 44 1.094 0.635 -20.932 1.00 2.10 C ATOM 695 O VAL A 44 1.414 1.233 -21.960 1.00 52.12 O ATOM 696 CB VAL A 44 -1.273 1.419 -20.827 1.00 60.41 C ATOM 697 CG1 VAL A 44 -1.821 0.097 -21.345 1.00 45.51 C ATOM 698 CG2 VAL A 44 -2.314 2.144 -19.988 1.00 3.13 C ATOM 0 H VAL A 44 0.345 3.256 -19.925 1.00 10.32 H new ATOM 0 HA VAL A 44 -0.191 0.465 -19.221 1.00 12.41 H new ATOM 0 HB VAL A 44 -1.030 2.046 -21.685 1.00 60.41 H new ATOM 0 HG11 VAL A 44 -2.729 0.280 -21.919 1.00 45.51 H new ATOM 0 HG12 VAL A 44 -1.078 -0.380 -21.984 1.00 45.51 H new ATOM 0 HG13 VAL A 44 -2.049 -0.557 -20.503 1.00 45.51 H new ATOM 0 HG21 VAL A 44 -3.216 2.299 -20.581 1.00 3.13 H new ATOM 0 HG22 VAL A 44 -2.555 1.545 -19.110 1.00 3.13 H new ATOM 0 HG23 VAL A 44 -1.918 3.109 -19.671 1.00 3.13 H new ATOM 708 N CYS A 45 1.654 -0.510 -20.557 1.00 53.21 N ATOM 709 CA CYS A 45 2.701 -1.145 -21.350 1.00 14.22 C ATOM 710 C CYS A 45 2.123 -2.249 -22.229 1.00 54.44 C ATOM 711 O CYS A 45 1.909 -3.372 -21.772 1.00 75.15 O ATOM 712 CB CYS A 45 3.784 -1.719 -20.436 1.00 32.24 C ATOM 713 SG CYS A 45 4.352 -0.576 -19.156 1.00 2.44 S ATOM 0 H CYS A 45 1.401 -1.017 -19.709 1.00 53.21 H new ATOM 0 HA CYS A 45 3.145 -0.387 -21.995 1.00 14.22 H new ATOM 0 HB2 CYS A 45 3.401 -2.621 -19.959 1.00 32.24 H new ATOM 0 HB3 CYS A 45 4.637 -2.019 -21.045 1.00 32.24 H new ATOM 0 HG CYS A 45 5.266 -1.153 -18.433 1.00 2.44 H new ATOM 719 N CYS A 46 1.871 -1.921 -23.492 1.00 12.33 N ATOM 720 CA CYS A 46 1.315 -2.884 -24.436 1.00 13.15 C ATOM 721 C CYS A 46 2.380 -3.877 -24.890 1.00 55.31 C ATOM 722 O CYS A 46 3.560 -3.725 -24.574 1.00 24.31 O ATOM 723 CB CYS A 46 0.725 -2.160 -25.647 1.00 34.13 C ATOM 724 SG CYS A 46 -0.660 -1.066 -25.251 1.00 24.32 S ATOM 0 H CYS A 46 2.043 -0.996 -23.886 1.00 12.33 H new ATOM 0 HA CYS A 46 0.522 -3.436 -23.930 1.00 13.15 H new ATOM 0 HB2 CYS A 46 1.511 -1.575 -26.125 1.00 34.13 H new ATOM 0 HB3 CYS A 46 0.392 -2.901 -26.373 1.00 34.13 H new ATOM 0 HG CYS A 46 -1.089 -0.498 -26.339 1.00 24.32 H new ATOM 730 N LEU A 47 1.955 -4.893 -25.632 1.00 74.31 N ATOM 731 CA LEU A 47 2.871 -5.913 -26.129 1.00 64.25 C ATOM 732 C LEU A 47 3.829 -5.328 -27.162 1.00 4.52 C ATOM 733 O LEU A 47 3.565 -4.293 -27.774 1.00 14.53 O ATOM 734 CB LEU A 47 2.089 -7.075 -26.745 1.00 14.45 C ATOM 735 CG LEU A 47 1.866 -7.008 -28.256 1.00 23.31 C ATOM 736 CD1 LEU A 47 1.096 -8.229 -28.736 1.00 44.22 C ATOM 737 CD2 LEU A 47 1.131 -5.730 -28.631 1.00 41.13 C ATOM 0 H LEU A 47 0.982 -5.033 -25.903 1.00 74.31 H new ATOM 0 HA LEU A 47 3.454 -6.282 -25.286 1.00 64.25 H new ATOM 0 HB2 LEU A 47 2.615 -8.002 -26.516 1.00 14.45 H new ATOM 0 HB3 LEU A 47 1.116 -7.131 -26.257 1.00 14.45 H new ATOM 0 HG LEU A 47 2.839 -7.001 -28.748 1.00 23.31 H new ATOM 0 HD11 LEU A 47 0.946 -8.164 -29.814 1.00 44.22 H new ATOM 0 HD12 LEU A 47 1.661 -9.131 -28.502 1.00 44.22 H new ATOM 0 HD13 LEU A 47 0.128 -8.268 -28.237 1.00 44.22 H new ATOM 0 HD21 LEU A 47 0.981 -5.700 -29.710 1.00 41.13 H new ATOM 0 HD22 LEU A 47 0.163 -5.706 -28.130 1.00 41.13 H new ATOM 0 HD23 LEU A 47 1.721 -4.867 -28.322 1.00 41.13 H new ATOM 749 N PRO A 48 4.969 -6.005 -27.363 1.00 5.10 N ATOM 750 CA PRO A 48 5.989 -5.572 -28.323 1.00 52.23 C ATOM 751 C PRO A 48 5.527 -5.727 -29.768 1.00 50.33 C ATOM 752 O PRO A 48 5.411 -6.842 -30.277 1.00 3.14 O ATOM 753 CB PRO A 48 7.167 -6.506 -28.035 1.00 50.44 C ATOM 754 CG PRO A 48 6.548 -7.724 -27.443 1.00 23.33 C ATOM 755 CD PRO A 48 5.351 -7.246 -26.669 1.00 30.32 C ATOM 0 HA PRO A 48 6.230 -4.515 -28.213 1.00 52.23 H new ATOM 0 HB2 PRO A 48 7.716 -6.744 -28.946 1.00 50.44 H new ATOM 0 HB3 PRO A 48 7.876 -6.048 -27.346 1.00 50.44 H new ATOM 0 HG2 PRO A 48 6.254 -8.429 -28.220 1.00 23.33 H new ATOM 0 HG3 PRO A 48 7.252 -8.242 -26.792 1.00 23.33 H new ATOM 0 HD2 PRO A 48 4.544 -7.979 -26.683 1.00 30.32 H new ATOM 0 HD3 PRO A 48 5.596 -7.062 -25.623 1.00 30.32 H new ATOM 763 N ARG A 49 5.265 -4.601 -30.425 1.00 31.32 N ATOM 764 CA ARG A 49 4.815 -4.613 -31.811 1.00 50.25 C ATOM 765 C ARG A 49 5.086 -3.269 -32.482 1.00 70.21 C ATOM 766 O ARG A 49 5.382 -3.208 -33.676 1.00 30.44 O ATOM 767 CB ARG A 49 3.322 -4.938 -31.883 1.00 31.52 C ATOM 768 CG ARG A 49 2.429 -3.811 -31.391 1.00 75.42 C ATOM 769 CD ARG A 49 1.928 -2.954 -32.543 1.00 61.33 C ATOM 770 NE ARG A 49 1.070 -1.865 -32.083 1.00 64.52 N ATOM 771 CZ ARG A 49 -0.154 -2.048 -31.601 1.00 2.20 C ATOM 772 NH1 ARG A 49 -0.661 -3.270 -31.516 1.00 11.22 N ATOM 773 NH2 ARG A 49 -0.873 -1.007 -31.202 1.00 50.51 N ATOM 0 H ARG A 49 5.357 -3.670 -30.019 1.00 31.32 H new ATOM 0 HA ARG A 49 5.374 -5.385 -32.341 1.00 50.25 H new ATOM 0 HB2 ARG A 49 3.060 -5.174 -32.914 1.00 31.52 H new ATOM 0 HB3 ARG A 49 3.124 -5.832 -31.291 1.00 31.52 H new ATOM 0 HG2 ARG A 49 1.580 -4.228 -30.850 1.00 75.42 H new ATOM 0 HG3 ARG A 49 2.981 -3.189 -30.687 1.00 75.42 H new ATOM 0 HD2 ARG A 49 2.779 -2.541 -33.084 1.00 61.33 H new ATOM 0 HD3 ARG A 49 1.376 -3.578 -33.246 1.00 61.33 H new ATOM 0 HE ARG A 49 1.430 -0.912 -32.135 1.00 64.52 H new ATOM 0 HH11 ARG A 49 -0.111 -4.073 -31.821 1.00 11.22 H new ATOM 0 HH12 ARG A 49 -1.601 -3.407 -31.145 1.00 11.22 H new ATOM 0 HH21 ARG A 49 -0.486 -0.065 -31.265 1.00 50.51 H new ATOM 0 HH22 ARG A 49 -1.813 -1.148 -30.832 1.00 50.51 H new ATOM 787 N ASP A 50 4.982 -2.195 -31.707 1.00 22.40 N ATOM 788 CA ASP A 50 5.216 -0.853 -32.225 1.00 45.33 C ATOM 789 C ASP A 50 6.502 -0.265 -31.651 1.00 61.34 C ATOM 790 O ASP A 50 6.750 0.935 -31.760 1.00 43.52 O ATOM 791 CB ASP A 50 4.033 0.058 -31.895 1.00 40.33 C ATOM 792 CG ASP A 50 3.353 0.597 -33.138 1.00 51.14 C ATOM 793 OD1 ASP A 50 4.069 0.996 -34.081 1.00 74.33 O ATOM 794 OD2 ASP A 50 2.105 0.619 -33.169 1.00 12.52 O ATOM 0 H ASP A 50 4.737 -2.228 -30.717 1.00 22.40 H new ATOM 0 HA ASP A 50 5.321 -0.922 -33.308 1.00 45.33 H new ATOM 0 HB2 ASP A 50 3.308 -0.495 -31.298 1.00 40.33 H new ATOM 0 HB3 ASP A 50 4.379 0.891 -31.284 1.00 40.33 H new ATOM 799 N SER A 51 7.315 -1.120 -31.039 1.00 45.12 N ATOM 800 CA SER A 51 8.573 -0.685 -30.444 1.00 4.25 C ATOM 801 C SER A 51 8.321 0.156 -29.196 1.00 3.32 C ATOM 802 O SER A 51 8.641 1.345 -29.159 1.00 40.32 O ATOM 803 CB SER A 51 9.391 0.118 -31.457 1.00 3.00 C ATOM 804 OG SER A 51 10.776 0.049 -31.164 1.00 60.31 O ATOM 0 H SER A 51 7.125 -2.117 -30.942 1.00 45.12 H new ATOM 0 HA SER A 51 9.136 -1.573 -30.156 1.00 4.25 H new ATOM 0 HB2 SER A 51 9.209 -0.265 -32.461 1.00 3.00 H new ATOM 0 HB3 SER A 51 9.066 1.158 -31.449 1.00 3.00 H new ATOM 0 HG SER A 51 11.277 0.569 -31.827 1.00 60.31 H new ATOM 810 N LEU A 52 7.746 -0.469 -28.175 1.00 31.21 N ATOM 811 CA LEU A 52 7.450 0.220 -26.924 1.00 10.22 C ATOM 812 C LEU A 52 6.403 1.309 -27.136 1.00 73.43 C ATOM 813 O LEU A 52 6.729 2.493 -27.218 1.00 4.24 O ATOM 814 CB LEU A 52 8.726 0.831 -26.341 1.00 73.10 C ATOM 815 CG LEU A 52 9.328 0.105 -25.137 1.00 51.33 C ATOM 816 CD1 LEU A 52 9.627 -1.345 -25.483 1.00 63.02 C ATOM 817 CD2 LEU A 52 10.589 0.814 -24.664 1.00 34.34 C ATOM 0 H LEU A 52 7.475 -1.452 -28.189 1.00 31.21 H new ATOM 0 HA LEU A 52 7.050 -0.511 -26.221 1.00 10.22 H new ATOM 0 HB2 LEU A 52 9.478 0.872 -27.129 1.00 73.10 H new ATOM 0 HB3 LEU A 52 8.513 1.860 -26.050 1.00 73.10 H new ATOM 0 HG LEU A 52 8.600 0.120 -24.326 1.00 51.33 H new ATOM 0 HD11 LEU A 52 10.055 -1.846 -24.614 1.00 63.02 H new ATOM 0 HD12 LEU A 52 8.704 -1.847 -25.774 1.00 63.02 H new ATOM 0 HD13 LEU A 52 10.337 -1.383 -26.310 1.00 63.02 H new ATOM 0 HD21 LEU A 52 11.004 0.284 -23.807 1.00 34.34 H new ATOM 0 HD22 LEU A 52 11.322 0.830 -25.471 1.00 34.34 H new ATOM 0 HD23 LEU A 52 10.345 1.836 -24.375 1.00 34.34 H new ATOM 829 N THR A 53 5.141 0.900 -27.224 1.00 33.53 N ATOM 830 CA THR A 53 4.045 1.839 -27.425 1.00 71.04 C ATOM 831 C THR A 53 3.397 2.222 -26.099 1.00 65.54 C ATOM 832 O THR A 53 2.177 2.363 -26.011 1.00 1.53 O ATOM 833 CB THR A 53 2.969 1.255 -28.360 1.00 34.55 C ATOM 834 OG1 THR A 53 3.494 0.126 -29.067 1.00 43.11 O ATOM 835 CG2 THR A 53 2.486 2.302 -29.352 1.00 24.03 C ATOM 0 H THR A 53 4.853 -0.076 -27.159 1.00 33.53 H new ATOM 0 HA THR A 53 4.473 2.729 -27.887 1.00 71.04 H new ATOM 0 HB THR A 53 2.123 0.939 -27.750 1.00 34.55 H new ATOM 0 HG1 THR A 53 2.810 -0.573 -29.121 1.00 43.11 H new ATOM 0 HG21 THR A 53 1.727 1.865 -30.001 1.00 24.03 H new ATOM 0 HG22 THR A 53 2.059 3.146 -28.811 1.00 24.03 H new ATOM 0 HG23 THR A 53 3.326 2.646 -29.956 1.00 24.03 H new ATOM 843 N LEU A 54 4.221 2.388 -25.071 1.00 22.14 N ATOM 844 CA LEU A 54 3.728 2.755 -23.748 1.00 4.44 C ATOM 845 C LEU A 54 2.853 4.003 -23.820 1.00 24.34 C ATOM 846 O LEU A 54 3.287 5.050 -24.299 1.00 11.42 O ATOM 847 CB LEU A 54 4.900 2.995 -22.794 1.00 20.33 C ATOM 848 CG LEU A 54 6.011 1.944 -22.819 1.00 1.54 C ATOM 849 CD1 LEU A 54 7.353 2.594 -23.119 1.00 10.10 C ATOM 850 CD2 LEU A 54 6.064 1.193 -21.496 1.00 64.15 C ATOM 0 H LEU A 54 5.233 2.274 -25.128 1.00 22.14 H new ATOM 0 HA LEU A 54 3.123 1.930 -23.371 1.00 4.44 H new ATOM 0 HB2 LEU A 54 5.339 3.965 -23.027 1.00 20.33 H new ATOM 0 HB3 LEU A 54 4.509 3.058 -21.778 1.00 20.33 H new ATOM 0 HG LEU A 54 5.791 1.229 -23.612 1.00 1.54 H new ATOM 0 HD11 LEU A 54 8.132 1.831 -23.133 1.00 10.10 H new ATOM 0 HD12 LEU A 54 7.310 3.086 -24.091 1.00 10.10 H new ATOM 0 HD13 LEU A 54 7.581 3.331 -22.349 1.00 10.10 H new ATOM 0 HD21 LEU A 54 6.860 0.449 -21.531 1.00 64.15 H new ATOM 0 HD22 LEU A 54 6.260 1.896 -20.686 1.00 64.15 H new ATOM 0 HD23 LEU A 54 5.110 0.695 -21.322 1.00 64.15 H new ATOM 862 N SER A 55 1.620 3.883 -23.338 1.00 63.11 N ATOM 863 CA SER A 55 0.683 5.000 -23.349 1.00 45.32 C ATOM 864 C SER A 55 0.482 5.554 -21.942 1.00 12.20 C ATOM 865 O SER A 55 0.044 4.841 -21.040 1.00 15.54 O ATOM 866 CB SER A 55 -0.660 4.561 -23.934 1.00 73.00 C ATOM 867 OG SER A 55 -0.816 5.029 -25.263 1.00 25.43 O ATOM 0 H SER A 55 1.247 3.023 -22.935 1.00 63.11 H new ATOM 0 HA SER A 55 1.103 5.788 -23.974 1.00 45.32 H new ATOM 0 HB2 SER A 55 -0.729 3.473 -23.918 1.00 73.00 H new ATOM 0 HB3 SER A 55 -1.472 4.941 -23.314 1.00 73.00 H new ATOM 0 HG SER A 55 -1.682 4.733 -25.614 1.00 25.43 H new ATOM 873 N ALA A 56 0.805 6.831 -21.763 1.00 64.34 N ATOM 874 CA ALA A 56 0.658 7.482 -20.468 1.00 25.03 C ATOM 875 C ALA A 56 -0.465 8.513 -20.496 1.00 4.23 C ATOM 876 O ALA A 56 -0.569 9.305 -21.432 1.00 13.44 O ATOM 877 CB ALA A 56 1.968 8.136 -20.054 1.00 44.44 C ATOM 0 H ALA A 56 1.170 7.435 -22.499 1.00 64.34 H new ATOM 0 HA ALA A 56 0.397 6.720 -19.734 1.00 25.03 H new ATOM 0 HB1 ALA A 56 1.843 8.619 -19.085 1.00 44.44 H new ATOM 0 HB2 ALA A 56 2.747 7.377 -19.984 1.00 44.44 H new ATOM 0 HB3 ALA A 56 2.253 8.881 -20.796 1.00 44.44 H new ATOM 883 N ALA A 57 -1.303 8.497 -19.464 1.00 64.34 N ATOM 884 CA ALA A 57 -2.417 9.431 -19.371 1.00 11.52 C ATOM 885 C ALA A 57 -2.838 9.641 -17.920 1.00 64.00 C ATOM 886 O ALA A 57 -2.855 8.700 -17.127 1.00 52.52 O ATOM 887 CB ALA A 57 -3.594 8.934 -20.197 1.00 30.12 C ATOM 0 H ALA A 57 -1.231 7.847 -18.681 1.00 64.34 H new ATOM 0 HA ALA A 57 -2.088 10.391 -19.769 1.00 11.52 H new ATOM 0 HB1 ALA A 57 -4.419 9.642 -20.118 1.00 30.12 H new ATOM 0 HB2 ALA A 57 -3.293 8.842 -21.241 1.00 30.12 H new ATOM 0 HB3 ALA A 57 -3.914 7.961 -19.825 1.00 30.12 H new ATOM 893 N ASN A 58 -3.175 10.881 -17.580 1.00 22.34 N ATOM 894 CA ASN A 58 -3.594 11.214 -16.223 1.00 30.50 C ATOM 895 C ASN A 58 -5.047 11.679 -16.201 1.00 42.03 C ATOM 896 O ASN A 58 -5.356 12.801 -16.603 1.00 20.22 O ATOM 897 CB ASN A 58 -2.690 12.301 -15.640 1.00 5.02 C ATOM 898 CG ASN A 58 -3.066 12.664 -14.216 1.00 52.55 C ATOM 899 OD1 ASN A 58 -3.990 12.089 -13.641 1.00 23.13 O ATOM 900 ND2 ASN A 58 -2.351 13.625 -13.642 1.00 62.50 N ATOM 0 H ASN A 58 -3.166 11.671 -18.225 1.00 22.34 H new ATOM 0 HA ASN A 58 -3.510 10.315 -15.613 1.00 30.50 H new ATOM 0 HB2 ASN A 58 -1.655 11.960 -15.664 1.00 5.02 H new ATOM 0 HB3 ASN A 58 -2.747 13.191 -16.266 1.00 5.02 H new ATOM 0 HD21 ASN A 58 -2.559 13.914 -12.686 1.00 62.50 H new ATOM 0 HD22 ASN A 58 -1.594 14.074 -14.157 1.00 62.50 H new ATOM 907 N SER A 59 -5.934 10.809 -15.729 1.00 52.32 N ATOM 908 CA SER A 59 -7.355 11.130 -15.658 1.00 20.43 C ATOM 909 C SER A 59 -7.876 11.595 -17.014 1.00 61.32 C ATOM 910 O SER A 59 -8.782 12.424 -17.091 1.00 63.14 O ATOM 911 CB SER A 59 -7.603 12.212 -14.605 1.00 72.40 C ATOM 912 OG SER A 59 -7.402 11.706 -13.297 1.00 32.24 O ATOM 0 H SER A 59 -5.694 9.877 -15.390 1.00 52.32 H new ATOM 0 HA SER A 59 -7.892 10.226 -15.373 1.00 20.43 H new ATOM 0 HB2 SER A 59 -6.933 13.054 -14.779 1.00 72.40 H new ATOM 0 HB3 SER A 59 -8.621 12.590 -14.700 1.00 72.40 H new ATOM 0 HG SER A 59 -7.565 12.417 -12.643 1.00 32.24 H new ATOM 918 N GLU A 60 -7.296 11.054 -18.081 1.00 63.11 N ATOM 919 CA GLU A 60 -7.701 11.414 -19.435 1.00 5.12 C ATOM 920 C GLU A 60 -8.259 10.203 -20.176 1.00 71.21 C ATOM 921 O GLU A 60 -9.092 10.340 -21.073 1.00 24.03 O ATOM 922 CB GLU A 60 -6.515 11.997 -20.207 1.00 72.45 C ATOM 923 CG GLU A 60 -6.260 13.466 -19.914 1.00 73.54 C ATOM 924 CD GLU A 60 -5.262 14.087 -20.872 1.00 20.31 C ATOM 925 OE1 GLU A 60 -4.151 14.440 -20.423 1.00 53.11 O ATOM 926 OE2 GLU A 60 -5.591 14.220 -22.069 1.00 61.21 O ATOM 0 H GLU A 60 -6.545 10.365 -18.034 1.00 63.11 H new ATOM 0 HA GLU A 60 -8.485 12.168 -19.364 1.00 5.12 H new ATOM 0 HB2 GLU A 60 -5.619 11.426 -19.965 1.00 72.45 H new ATOM 0 HB3 GLU A 60 -6.692 11.874 -21.275 1.00 72.45 H new ATOM 0 HG2 GLU A 60 -7.201 14.013 -19.971 1.00 73.54 H new ATOM 0 HG3 GLU A 60 -5.892 13.571 -18.893 1.00 73.54 H new ATOM 933 N ASP A 61 -7.795 9.018 -19.795 1.00 64.14 N ATOM 934 CA ASP A 61 -8.247 7.782 -20.423 1.00 33.33 C ATOM 935 C ASP A 61 -9.537 7.285 -19.777 1.00 1.13 C ATOM 936 O ASP A 61 -9.527 6.793 -18.649 1.00 33.10 O ATOM 937 CB ASP A 61 -7.164 6.707 -20.321 1.00 32.45 C ATOM 938 CG ASP A 61 -7.536 5.438 -21.062 1.00 33.30 C ATOM 939 OD1 ASP A 61 -7.048 4.357 -20.671 1.00 22.40 O ATOM 940 OD2 ASP A 61 -8.317 5.525 -22.033 1.00 3.43 O ATOM 0 H ASP A 61 -7.106 8.887 -19.054 1.00 64.14 H new ATOM 0 HA ASP A 61 -8.444 7.989 -21.475 1.00 33.33 H new ATOM 0 HB2 ASP A 61 -6.229 7.098 -20.723 1.00 32.45 H new ATOM 0 HB3 ASP A 61 -6.987 6.473 -19.271 1.00 32.45 H new ATOM 945 N GLU A 62 -10.645 7.419 -20.499 1.00 43.23 N ATOM 946 CA GLU A 62 -11.942 6.986 -19.995 1.00 33.53 C ATOM 947 C GLU A 62 -12.790 6.389 -21.115 1.00 0.32 C ATOM 948 O GLU A 62 -13.986 6.156 -20.946 1.00 20.22 O ATOM 949 CB GLU A 62 -12.682 8.160 -19.350 1.00 60.41 C ATOM 950 CG GLU A 62 -13.094 9.237 -20.340 1.00 21.43 C ATOM 951 CD GLU A 62 -13.551 10.511 -19.658 1.00 10.52 C ATOM 952 OE1 GLU A 62 -12.805 11.023 -18.797 1.00 10.14 O ATOM 953 OE2 GLU A 62 -14.654 10.997 -19.985 1.00 1.25 O ATOM 0 H GLU A 62 -10.670 7.824 -21.435 1.00 43.23 H new ATOM 0 HA GLU A 62 -11.771 6.216 -19.242 1.00 33.53 H new ATOM 0 HB2 GLU A 62 -13.571 7.784 -18.844 1.00 60.41 H new ATOM 0 HB3 GLU A 62 -12.044 8.605 -18.586 1.00 60.41 H new ATOM 0 HG2 GLU A 62 -12.254 9.462 -20.997 1.00 21.43 H new ATOM 0 HG3 GLU A 62 -13.899 8.858 -20.970 1.00 21.43 H new ATOM 960 N GLY A 63 -12.160 6.146 -22.260 1.00 72.23 N ATOM 961 CA GLY A 63 -12.871 5.580 -23.392 1.00 31.11 C ATOM 962 C GLY A 63 -13.406 4.191 -23.105 1.00 11.02 C ATOM 963 O GLY A 63 -14.430 4.039 -22.439 1.00 4.44 O ATOM 0 H GLY A 63 -11.170 6.331 -22.424 1.00 72.23 H new ATOM 0 HA2 GLY A 63 -13.698 6.236 -23.662 1.00 31.11 H new ATOM 0 HA3 GLY A 63 -12.203 5.538 -24.252 1.00 31.11 H new ATOM 967 N GLN A 64 -12.713 3.176 -23.610 1.00 31.40 N ATOM 968 CA GLN A 64 -13.127 1.792 -23.406 1.00 3.44 C ATOM 969 C GLN A 64 -11.983 0.961 -22.835 1.00 63.30 C ATOM 970 O GLN A 64 -10.896 0.906 -23.411 1.00 24.33 O ATOM 971 CB GLN A 64 -13.609 1.182 -24.723 1.00 11.23 C ATOM 972 CG GLN A 64 -15.113 1.279 -24.924 1.00 2.44 C ATOM 973 CD GLN A 64 -15.496 1.469 -26.378 1.00 12.31 C ATOM 974 OE1 GLN A 64 -15.017 0.752 -27.257 1.00 40.50 O ATOM 975 NE2 GLN A 64 -16.365 2.439 -26.640 1.00 31.34 N ATOM 0 H GLN A 64 -11.863 3.285 -24.163 1.00 31.40 H new ATOM 0 HA GLN A 64 -13.949 1.786 -22.690 1.00 3.44 H new ATOM 0 HB2 GLN A 64 -13.107 1.683 -25.551 1.00 11.23 H new ATOM 0 HB3 GLN A 64 -13.313 0.134 -24.758 1.00 11.23 H new ATOM 0 HG2 GLN A 64 -15.586 0.374 -24.543 1.00 2.44 H new ATOM 0 HG3 GLN A 64 -15.501 2.112 -24.338 1.00 2.44 H new ATOM 0 HE21 GLN A 64 -16.737 3.009 -25.881 1.00 31.34 H new ATOM 0 HE22 GLN A 64 -16.660 2.613 -27.601 1.00 31.34 H new ATOM 984 N ILE A 65 -12.235 0.316 -21.701 1.00 21.10 N ATOM 985 CA ILE A 65 -11.226 -0.513 -21.054 1.00 30.34 C ATOM 986 C ILE A 65 -11.844 -1.785 -20.482 1.00 2.23 C ATOM 987 O ILE A 65 -12.965 -1.768 -19.974 1.00 20.04 O ATOM 988 CB ILE A 65 -10.511 0.250 -19.923 1.00 62.12 C ATOM 989 CG1 ILE A 65 -9.493 -0.658 -19.230 1.00 45.22 C ATOM 990 CG2 ILE A 65 -11.523 0.782 -18.920 1.00 73.11 C ATOM 991 CD1 ILE A 65 -8.220 0.056 -18.831 1.00 61.12 C ATOM 0 H ILE A 65 -13.129 0.352 -21.211 1.00 21.10 H new ATOM 0 HA ILE A 65 -10.497 -0.778 -21.820 1.00 30.34 H new ATOM 0 HB ILE A 65 -9.979 1.097 -20.356 1.00 62.12 H new ATOM 0 HG12 ILE A 65 -9.951 -1.092 -18.341 1.00 45.22 H new ATOM 0 HG13 ILE A 65 -9.243 -1.485 -19.895 1.00 45.22 H new ATOM 0 HG21 ILE A 65 -11.002 1.319 -18.127 1.00 73.11 H new ATOM 0 HG22 ILE A 65 -12.213 1.459 -19.424 1.00 73.11 H new ATOM 0 HG23 ILE A 65 -12.080 -0.050 -18.489 1.00 73.11 H new ATOM 0 HD11 ILE A 65 -7.545 -0.648 -18.345 1.00 61.12 H new ATOM 0 HD12 ILE A 65 -7.739 0.466 -19.719 1.00 61.12 H new ATOM 0 HD13 ILE A 65 -8.458 0.865 -18.141 1.00 61.12 H new ATOM 1003 N ARG A 66 -11.104 -2.885 -20.567 1.00 21.54 N ATOM 1004 CA ARG A 66 -11.579 -4.166 -20.057 1.00 25.31 C ATOM 1005 C ARG A 66 -10.583 -4.759 -19.064 1.00 63.34 C ATOM 1006 O ARG A 66 -9.372 -4.589 -19.208 1.00 3.23 O ATOM 1007 CB ARG A 66 -11.809 -5.144 -21.210 1.00 73.42 C ATOM 1008 CG ARG A 66 -13.227 -5.689 -21.273 1.00 0.14 C ATOM 1009 CD ARG A 66 -14.187 -4.675 -21.875 1.00 31.11 C ATOM 1010 NE ARG A 66 -15.246 -5.317 -22.649 1.00 32.00 N ATOM 1011 CZ ARG A 66 -16.353 -4.694 -23.038 1.00 41.22 C ATOM 1012 NH1 ARG A 66 -16.544 -3.419 -22.727 1.00 71.24 N ATOM 1013 NH2 ARG A 66 -17.271 -5.346 -23.740 1.00 41.33 N ATOM 0 H ARG A 66 -10.174 -2.915 -20.984 1.00 21.54 H new ATOM 0 HA ARG A 66 -12.523 -3.995 -19.540 1.00 25.31 H new ATOM 0 HB2 ARG A 66 -11.579 -4.644 -22.151 1.00 73.42 H new ATOM 0 HB3 ARG A 66 -11.113 -5.977 -21.113 1.00 73.42 H new ATOM 0 HG2 ARG A 66 -13.241 -6.602 -21.868 1.00 0.14 H new ATOM 0 HG3 ARG A 66 -13.560 -5.956 -20.270 1.00 0.14 H new ATOM 0 HD2 ARG A 66 -14.631 -4.079 -21.078 1.00 31.11 H new ATOM 0 HD3 ARG A 66 -13.634 -3.989 -22.516 1.00 31.11 H new ATOM 0 HE ARG A 66 -15.129 -6.297 -22.905 1.00 32.00 H new ATOM 0 HH11 ARG A 66 -15.840 -2.915 -22.188 1.00 71.24 H new ATOM 0 HH12 ARG A 66 -17.395 -2.943 -23.027 1.00 71.24 H new ATOM 0 HH21 ARG A 66 -17.127 -6.327 -23.981 1.00 41.33 H new ATOM 0 HH22 ARG A 66 -18.121 -4.867 -24.038 1.00 41.33 H new ATOM 1027 N TYR A 67 -11.101 -5.455 -18.059 1.00 20.13 N ATOM 1028 CA TYR A 67 -10.258 -6.071 -17.041 1.00 1.23 C ATOM 1029 C TYR A 67 -9.935 -7.517 -17.402 1.00 73.45 C ATOM 1030 O TYR A 67 -10.820 -8.373 -17.438 1.00 51.25 O ATOM 1031 CB TYR A 67 -10.947 -6.016 -15.676 1.00 73.13 C ATOM 1032 CG TYR A 67 -11.523 -4.658 -15.343 1.00 24.34 C ATOM 1033 CD1 TYR A 67 -12.896 -4.466 -15.260 1.00 13.50 C ATOM 1034 CD2 TYR A 67 -10.693 -3.568 -15.111 1.00 32.11 C ATOM 1035 CE1 TYR A 67 -13.427 -3.227 -14.956 1.00 43.30 C ATOM 1036 CE2 TYR A 67 -11.215 -2.326 -14.805 1.00 23.11 C ATOM 1037 CZ TYR A 67 -12.582 -2.160 -14.729 1.00 21.31 C ATOM 1038 OH TYR A 67 -13.105 -0.924 -14.426 1.00 34.32 O ATOM 0 H TYR A 67 -12.101 -5.607 -17.927 1.00 20.13 H new ATOM 0 HA TYR A 67 -9.324 -5.511 -16.992 1.00 1.23 H new ATOM 0 HB2 TYR A 67 -11.747 -6.756 -15.652 1.00 73.13 H new ATOM 0 HB3 TYR A 67 -10.230 -6.296 -14.905 1.00 73.13 H new ATOM 0 HD1 TYR A 67 -13.560 -5.299 -15.436 1.00 13.50 H new ATOM 0 HD2 TYR A 67 -9.622 -3.694 -15.171 1.00 32.11 H new ATOM 0 HE1 TYR A 67 -14.497 -3.095 -14.896 1.00 43.30 H new ATOM 0 HE2 TYR A 67 -10.556 -1.489 -14.626 1.00 23.11 H new ATOM 0 HH TYR A 67 -12.375 -0.283 -14.294 1.00 34.32 H new ATOM 1048 N PHE A 68 -8.661 -7.783 -17.669 1.00 60.54 N ATOM 1049 CA PHE A 68 -8.219 -9.126 -18.029 1.00 14.02 C ATOM 1050 C PHE A 68 -7.473 -9.782 -16.870 1.00 55.43 C ATOM 1051 O PHE A 68 -6.743 -9.119 -16.133 1.00 11.34 O ATOM 1052 CB PHE A 68 -7.320 -9.076 -19.266 1.00 13.11 C ATOM 1053 CG PHE A 68 -7.648 -10.126 -20.288 1.00 73.22 C ATOM 1054 CD1 PHE A 68 -8.816 -10.049 -21.031 1.00 4.34 C ATOM 1055 CD2 PHE A 68 -6.789 -11.191 -20.507 1.00 34.45 C ATOM 1056 CE1 PHE A 68 -9.120 -11.013 -21.972 1.00 73.44 C ATOM 1057 CE2 PHE A 68 -7.089 -12.159 -21.447 1.00 45.32 C ATOM 1058 CZ PHE A 68 -8.256 -12.070 -22.180 1.00 61.32 C ATOM 0 H PHE A 68 -7.916 -7.087 -17.643 1.00 60.54 H new ATOM 0 HA PHE A 68 -9.102 -9.724 -18.255 1.00 14.02 H new ATOM 0 HB2 PHE A 68 -7.405 -8.092 -19.727 1.00 13.11 H new ATOM 0 HB3 PHE A 68 -6.282 -9.194 -18.956 1.00 13.11 H new ATOM 0 HD1 PHE A 68 -9.496 -9.225 -20.872 1.00 4.34 H new ATOM 0 HD2 PHE A 68 -5.875 -11.266 -19.937 1.00 34.45 H new ATOM 0 HE1 PHE A 68 -10.033 -10.940 -22.545 1.00 73.44 H new ATOM 0 HE2 PHE A 68 -6.411 -12.984 -21.608 1.00 45.32 H new ATOM 0 HZ PHE A 68 -8.492 -12.826 -22.915 1.00 61.32 H new ATOM 1068 N LEU A 69 -7.663 -11.087 -16.716 1.00 71.31 N ATOM 1069 CA LEU A 69 -7.009 -11.834 -15.647 1.00 73.42 C ATOM 1070 C LEU A 69 -7.346 -13.319 -15.736 1.00 32.42 C ATOM 1071 O LEU A 69 -6.473 -14.170 -15.910 1.00 12.14 O ATOM 1072 CB LEU A 69 -7.430 -11.285 -14.283 1.00 41.20 C ATOM 1073 CG LEU A 69 -6.324 -10.634 -13.452 1.00 1.14 C ATOM 1074 CD1 LEU A 69 -6.901 -9.558 -12.545 1.00 42.42 C ATOM 1075 CD2 LEU A 69 -5.584 -11.683 -12.634 1.00 13.53 C ATOM 0 H LEU A 69 -8.264 -11.650 -17.317 1.00 71.31 H new ATOM 0 HA LEU A 69 -5.931 -11.717 -15.762 1.00 73.42 H new ATOM 0 HB2 LEU A 69 -8.221 -10.551 -14.437 1.00 41.20 H new ATOM 0 HB3 LEU A 69 -7.861 -12.101 -13.702 1.00 41.20 H new ATOM 0 HG LEU A 69 -5.613 -10.164 -14.132 1.00 1.14 H new ATOM 0 HD11 LEU A 69 -6.099 -9.106 -11.961 1.00 42.42 H new ATOM 0 HD12 LEU A 69 -7.385 -8.792 -13.151 1.00 42.42 H new ATOM 0 HD13 LEU A 69 -7.633 -10.004 -11.872 1.00 42.42 H new ATOM 0 HD21 LEU A 69 -4.800 -11.202 -12.049 1.00 13.53 H new ATOM 0 HD22 LEU A 69 -6.284 -12.181 -11.963 1.00 13.53 H new ATOM 0 HD23 LEU A 69 -5.137 -12.418 -13.304 1.00 13.53 H new ATOM 1087 N PRO A 70 -8.643 -13.640 -15.616 1.00 30.41 N ATOM 1088 CA PRO A 70 -9.126 -15.023 -15.682 1.00 43.00 C ATOM 1089 C PRO A 70 -9.009 -15.611 -17.084 1.00 23.41 C ATOM 1090 O PRO A 70 -9.133 -16.822 -17.272 1.00 1.33 O ATOM 1091 CB PRO A 70 -10.596 -14.905 -15.272 1.00 61.44 C ATOM 1092 CG PRO A 70 -10.975 -13.507 -15.619 1.00 1.15 C ATOM 1093 CD PRO A 70 -9.738 -12.678 -15.407 1.00 70.20 C ATOM 0 HA PRO A 70 -8.544 -15.689 -15.045 1.00 43.00 H new ATOM 0 HB2 PRO A 70 -11.215 -15.627 -15.805 1.00 61.44 H new ATOM 0 HB3 PRO A 70 -10.727 -15.098 -14.207 1.00 61.44 H new ATOM 0 HG2 PRO A 70 -11.317 -13.440 -16.652 1.00 1.15 H new ATOM 0 HG3 PRO A 70 -11.792 -13.156 -14.989 1.00 1.15 H new ATOM 0 HD2 PRO A 70 -9.684 -11.849 -16.112 1.00 70.20 H new ATOM 0 HD3 PRO A 70 -9.709 -12.248 -14.406 1.00 70.20 H new ATOM 1101 N ASP A 71 -8.769 -14.748 -18.065 1.00 21.04 N ATOM 1102 CA ASP A 71 -8.634 -15.183 -19.450 1.00 5.10 C ATOM 1103 C ASP A 71 -9.812 -16.060 -19.862 1.00 1.40 C ATOM 1104 O ASP A 71 -9.659 -16.989 -20.655 1.00 35.02 O ATOM 1105 CB ASP A 71 -7.322 -15.947 -19.641 1.00 52.54 C ATOM 1106 CG ASP A 71 -6.199 -15.391 -18.788 1.00 42.25 C ATOM 1107 OD1 ASP A 71 -5.586 -16.172 -18.031 1.00 61.41 O ATOM 1108 OD2 ASP A 71 -5.932 -14.174 -18.879 1.00 22.40 O ATOM 0 H ASP A 71 -8.664 -13.743 -17.927 1.00 21.04 H new ATOM 0 HA ASP A 71 -8.625 -14.296 -20.084 1.00 5.10 H new ATOM 0 HB2 ASP A 71 -7.477 -16.997 -19.393 1.00 52.54 H new ATOM 0 HB3 ASP A 71 -7.031 -15.907 -20.691 1.00 52.54 H new ATOM 1113 N ARG A 72 -10.986 -15.758 -19.317 1.00 71.04 N ATOM 1114 CA ARG A 72 -12.190 -16.520 -19.627 1.00 20.04 C ATOM 1115 C ARG A 72 -13.357 -15.589 -19.940 1.00 53.23 C ATOM 1116 O ARG A 72 -14.521 -15.979 -19.838 1.00 5.14 O ATOM 1117 CB ARG A 72 -12.554 -17.436 -18.456 1.00 53.44 C ATOM 1118 CG ARG A 72 -13.160 -16.699 -17.273 1.00 22.34 C ATOM 1119 CD ARG A 72 -12.997 -17.489 -15.983 1.00 41.31 C ATOM 1120 NE ARG A 72 -14.028 -18.512 -15.834 1.00 13.24 N ATOM 1121 CZ ARG A 72 -14.114 -19.321 -14.783 1.00 53.35 C ATOM 1122 NH1 ARG A 72 -13.235 -19.226 -13.796 1.00 12.45 N ATOM 1123 NH2 ARG A 72 -15.082 -20.227 -14.720 1.00 3.31 N ATOM 0 H ARG A 72 -11.129 -14.992 -18.659 1.00 71.04 H new ATOM 0 HA ARG A 72 -11.988 -17.129 -20.508 1.00 20.04 H new ATOM 0 HB2 ARG A 72 -13.259 -18.192 -18.802 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -11.659 -17.963 -18.125 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -12.684 -15.724 -17.167 1.00 22.34 H new ATOM 0 HG3 ARG A 72 -14.219 -16.518 -17.459 1.00 22.34 H new ATOM 0 HD2 ARG A 72 -12.014 -17.960 -15.968 1.00 41.31 H new ATOM 0 HD3 ARG A 72 -13.037 -16.808 -15.133 1.00 41.31 H new ATOM 0 HE ARG A 72 -14.720 -18.611 -16.577 1.00 13.24 H new ATOM 0 HH11 ARG A 72 -12.490 -18.531 -13.842 1.00 12.45 H new ATOM 0 HH12 ARG A 72 -13.303 -19.848 -12.991 1.00 12.45 H new ATOM 0 HH21 ARG A 72 -15.760 -20.302 -15.478 1.00 3.31 H new ATOM 0 HH22 ARG A 72 -15.148 -20.848 -13.913 1.00 3.31 H new ATOM 1137 N ASP A 73 -13.038 -14.357 -20.322 1.00 75.01 N ATOM 1138 CA ASP A 73 -14.060 -13.370 -20.651 1.00 53.03 C ATOM 1139 C ASP A 73 -14.326 -13.343 -22.153 1.00 73.52 C ATOM 1140 O ASP A 73 -14.608 -12.291 -22.724 1.00 54.41 O ATOM 1141 CB ASP A 73 -13.632 -11.982 -20.172 1.00 71.11 C ATOM 1142 CG ASP A 73 -14.790 -11.004 -20.122 1.00 23.32 C ATOM 1143 OD1 ASP A 73 -14.710 -9.955 -20.795 1.00 33.21 O ATOM 1144 OD2 ASP A 73 -15.775 -11.289 -19.410 1.00 54.31 O ATOM 0 H ASP A 73 -12.080 -14.018 -20.411 1.00 75.01 H new ATOM 0 HA ASP A 73 -14.981 -13.654 -20.142 1.00 53.03 H new ATOM 0 HB2 ASP A 73 -13.187 -12.064 -19.181 1.00 71.11 H new ATOM 0 HB3 ASP A 73 -12.860 -11.593 -20.837 1.00 71.11 H new ATOM 1149 N GLU A 74 -14.233 -14.509 -22.786 1.00 53.33 N ATOM 1150 CA GLU A 74 -14.462 -14.618 -24.222 1.00 52.53 C ATOM 1151 C GLU A 74 -13.479 -13.745 -24.998 1.00 21.44 C ATOM 1152 O GLU A 74 -13.857 -13.055 -25.944 1.00 25.44 O ATOM 1153 CB GLU A 74 -15.898 -14.214 -24.564 1.00 70.23 C ATOM 1154 CG GLU A 74 -16.945 -14.905 -23.706 1.00 41.43 C ATOM 1155 CD GLU A 74 -18.323 -14.884 -24.338 1.00 52.31 C ATOM 1156 OE1 GLU A 74 -19.307 -15.166 -23.623 1.00 14.23 O ATOM 1157 OE2 GLU A 74 -18.418 -14.586 -25.547 1.00 1.20 O ATOM 0 H GLU A 74 -14.001 -15.390 -22.327 1.00 53.33 H new ATOM 0 HA GLU A 74 -14.305 -15.657 -24.511 1.00 52.53 H new ATOM 0 HB2 GLU A 74 -16.000 -13.135 -24.449 1.00 70.23 H new ATOM 0 HB3 GLU A 74 -16.091 -14.442 -25.612 1.00 70.23 H new ATOM 0 HG2 GLU A 74 -16.644 -15.938 -23.534 1.00 41.43 H new ATOM 0 HG3 GLU A 74 -16.989 -14.419 -22.731 1.00 41.43 H new ATOM 1164 N GLY A 75 -12.214 -13.782 -24.588 1.00 53.23 N ATOM 1165 CA GLY A 75 -11.196 -12.991 -25.254 1.00 51.50 C ATOM 1166 C GLY A 75 -9.876 -13.726 -25.374 1.00 74.52 C ATOM 1167 O GLY A 75 -9.174 -13.594 -26.376 1.00 24.43 O ATOM 0 H GLY A 75 -11.877 -14.345 -23.807 1.00 53.23 H new ATOM 0 HA2 GLY A 75 -11.547 -12.716 -26.249 1.00 51.50 H new ATOM 0 HA3 GLY A 75 -11.043 -12.063 -24.703 1.00 51.50 H new ATOM 1171 N MET A 76 -9.538 -14.503 -24.350 1.00 11.42 N ATOM 1172 CA MET A 76 -8.293 -15.262 -24.345 1.00 50.13 C ATOM 1173 C MET A 76 -8.137 -16.058 -25.637 1.00 41.43 C ATOM 1174 O MET A 76 -7.022 -16.291 -26.102 1.00 24.40 O ATOM 1175 CB MET A 76 -8.251 -16.207 -23.143 1.00 11.43 C ATOM 1176 CG MET A 76 -7.033 -17.115 -23.126 1.00 24.13 C ATOM 1177 SD MET A 76 -7.358 -18.728 -23.863 1.00 35.02 S ATOM 1178 CE MET A 76 -5.908 -19.639 -23.338 1.00 73.23 C ATOM 0 H MET A 76 -10.109 -14.623 -23.513 1.00 11.42 H new ATOM 0 HA MET A 76 -7.466 -14.555 -24.271 1.00 50.13 H new ATOM 0 HB2 MET A 76 -8.267 -15.617 -22.227 1.00 11.43 H new ATOM 0 HB3 MET A 76 -9.152 -16.821 -23.142 1.00 11.43 H new ATOM 0 HG2 MET A 76 -6.217 -16.632 -23.664 1.00 24.13 H new ATOM 0 HG3 MET A 76 -6.700 -17.251 -22.097 1.00 24.13 H new ATOM 0 HE1 MET A 76 -5.962 -20.659 -23.717 1.00 73.23 H new ATOM 0 HE2 MET A 76 -5.013 -19.154 -23.728 1.00 73.23 H new ATOM 0 HE3 MET A 76 -5.865 -19.658 -22.249 1.00 73.23 H new ATOM 1188 N MET A 77 -9.262 -16.471 -26.212 1.00 44.01 N ATOM 1189 CA MET A 77 -9.248 -17.240 -27.451 1.00 53.22 C ATOM 1190 C MET A 77 -8.612 -16.438 -28.582 1.00 0.41 C ATOM 1191 O MET A 77 -7.847 -16.976 -29.382 1.00 14.31 O ATOM 1192 CB MET A 77 -10.671 -17.649 -27.838 1.00 41.41 C ATOM 1193 CG MET A 77 -11.628 -16.474 -27.964 1.00 64.13 C ATOM 1194 SD MET A 77 -11.910 -15.989 -29.678 1.00 32.51 S ATOM 1195 CE MET A 77 -13.516 -16.723 -29.977 1.00 34.51 C ATOM 0 H MET A 77 -10.194 -16.286 -25.840 1.00 44.01 H new ATOM 0 HA MET A 77 -8.651 -18.137 -27.286 1.00 53.22 H new ATOM 0 HB2 MET A 77 -10.641 -18.186 -28.786 1.00 41.41 H new ATOM 0 HB3 MET A 77 -11.057 -18.343 -27.091 1.00 41.41 H new ATOM 0 HG2 MET A 77 -12.581 -16.735 -27.503 1.00 64.13 H new ATOM 0 HG3 MET A 77 -11.228 -15.624 -27.411 1.00 64.13 H new ATOM 0 HE1 MET A 77 -13.829 -16.510 -30.999 1.00 34.51 H new ATOM 0 HE2 MET A 77 -13.455 -17.802 -29.834 1.00 34.51 H new ATOM 0 HE3 MET A 77 -14.243 -16.305 -29.280 1.00 34.51 H new ATOM 1205 N GLU A 78 -8.934 -15.149 -28.641 1.00 64.13 N ATOM 1206 CA GLU A 78 -8.393 -14.275 -29.675 1.00 52.55 C ATOM 1207 C GLU A 78 -7.094 -13.622 -29.212 1.00 10.10 C ATOM 1208 O GLU A 78 -6.297 -13.158 -30.026 1.00 5.41 O ATOM 1209 CB GLU A 78 -9.414 -13.197 -30.048 1.00 3.24 C ATOM 1210 CG GLU A 78 -8.896 -12.194 -31.065 1.00 53.00 C ATOM 1211 CD GLU A 78 -9.942 -11.818 -32.097 1.00 3.41 C ATOM 1212 OE1 GLU A 78 -9.560 -11.536 -33.252 1.00 64.53 O ATOM 1213 OE2 GLU A 78 -11.141 -11.804 -31.750 1.00 1.23 O ATOM 0 H GLU A 78 -9.566 -14.688 -27.986 1.00 64.13 H new ATOM 0 HA GLU A 78 -8.180 -14.884 -30.554 1.00 52.55 H new ATOM 0 HB2 GLU A 78 -10.308 -13.677 -30.447 1.00 3.24 H new ATOM 0 HB3 GLU A 78 -9.714 -12.665 -29.145 1.00 3.24 H new ATOM 0 HG2 GLU A 78 -8.563 -11.295 -30.546 1.00 53.00 H new ATOM 0 HG3 GLU A 78 -8.025 -12.611 -31.571 1.00 53.00 H new ATOM 1220 N GLU A 79 -6.890 -13.591 -27.899 1.00 0.33 N ATOM 1221 CA GLU A 79 -5.689 -12.994 -27.327 1.00 3.20 C ATOM 1222 C GLU A 79 -4.700 -14.072 -26.892 1.00 43.43 C ATOM 1223 O GLU A 79 -3.813 -13.823 -26.076 1.00 74.30 O ATOM 1224 CB GLU A 79 -6.051 -12.107 -26.134 1.00 31.55 C ATOM 1225 CG GLU A 79 -5.523 -10.687 -26.248 1.00 34.23 C ATOM 1226 CD GLU A 79 -4.519 -10.349 -25.163 1.00 61.21 C ATOM 1227 OE1 GLU A 79 -3.309 -10.302 -25.470 1.00 12.41 O ATOM 1228 OE2 GLU A 79 -4.942 -10.133 -24.008 1.00 41.45 O ATOM 0 H GLU A 79 -7.540 -13.972 -27.212 1.00 0.33 H new ATOM 0 HA GLU A 79 -5.218 -12.381 -28.096 1.00 3.20 H new ATOM 0 HB2 GLU A 79 -7.136 -12.075 -26.032 1.00 31.55 H new ATOM 0 HB3 GLU A 79 -5.658 -12.559 -25.223 1.00 31.55 H new ATOM 0 HG2 GLU A 79 -5.056 -10.554 -27.224 1.00 34.23 H new ATOM 0 HG3 GLU A 79 -6.358 -9.988 -26.196 1.00 34.23 H new ATOM 1235 N GLY A 80 -4.859 -15.271 -27.444 1.00 54.34 N ATOM 1236 CA GLY A 80 -3.975 -16.369 -27.102 1.00 2.14 C ATOM 1237 C GLY A 80 -4.131 -17.552 -28.036 1.00 64.21 C ATOM 1238 O GLY A 80 -3.149 -18.202 -28.397 1.00 41.42 O ATOM 0 H GLY A 80 -5.585 -15.501 -28.122 1.00 54.34 H new ATOM 0 HA2 GLY A 80 -2.942 -16.022 -27.130 1.00 2.14 H new ATOM 0 HA3 GLY A 80 -4.176 -16.688 -26.079 1.00 2.14 H new ATOM 1242 N LYS A 81 -5.368 -17.835 -28.428 1.00 71.32 N ATOM 1243 CA LYS A 81 -5.651 -18.949 -29.326 1.00 42.21 C ATOM 1244 C LYS A 81 -5.797 -18.464 -30.765 1.00 1.00 C ATOM 1245 O LYS A 81 -6.372 -19.154 -31.608 1.00 0.20 O ATOM 1246 CB LYS A 81 -6.926 -19.673 -28.889 1.00 13.54 C ATOM 1247 CG LYS A 81 -6.837 -21.185 -29.001 1.00 42.44 C ATOM 1248 CD LYS A 81 -8.214 -21.818 -29.107 1.00 22.31 C ATOM 1249 CE LYS A 81 -8.701 -22.320 -27.756 1.00 72.44 C ATOM 1250 NZ LYS A 81 -10.074 -22.892 -27.840 1.00 1.34 N ATOM 0 H LYS A 81 -6.192 -17.308 -28.138 1.00 71.32 H new ATOM 0 HA LYS A 81 -4.812 -19.643 -29.278 1.00 42.21 H new ATOM 0 HB2 LYS A 81 -7.149 -19.406 -27.856 1.00 13.54 H new ATOM 0 HB3 LYS A 81 -7.760 -19.321 -29.496 1.00 13.54 H new ATOM 0 HG2 LYS A 81 -6.245 -21.452 -29.876 1.00 42.44 H new ATOM 0 HG3 LYS A 81 -6.318 -21.585 -28.130 1.00 42.44 H new ATOM 0 HD2 LYS A 81 -8.921 -21.089 -29.502 1.00 22.31 H new ATOM 0 HD3 LYS A 81 -8.181 -22.647 -29.814 1.00 22.31 H new ATOM 0 HE2 LYS A 81 -8.014 -23.078 -27.381 1.00 72.44 H new ATOM 0 HE3 LYS A 81 -8.692 -21.499 -27.039 1.00 72.44 H new ATOM 0 HZ1 LYS A 81 -10.370 -23.223 -26.900 1.00 1.34 H new ATOM 0 HZ2 LYS A 81 -10.735 -22.161 -28.174 1.00 1.34 H new ATOM 0 HZ3 LYS A 81 -10.077 -23.691 -28.505 1.00 1.34 H new ATOM 1264 N LEU A 82 -5.272 -17.275 -31.040 1.00 12.12 N ATOM 1265 CA LEU A 82 -5.343 -16.698 -32.378 1.00 22.30 C ATOM 1266 C LEU A 82 -4.007 -16.077 -32.774 1.00 54.23 C ATOM 1267 O LEU A 82 -3.504 -16.312 -33.873 1.00 3.12 O ATOM 1268 CB LEU A 82 -6.448 -15.643 -32.442 1.00 75.13 C ATOM 1269 CG LEU A 82 -6.755 -15.076 -33.829 1.00 11.12 C ATOM 1270 CD1 LEU A 82 -8.066 -15.638 -34.357 1.00 42.44 C ATOM 1271 CD2 LEU A 82 -6.804 -13.556 -33.784 1.00 44.43 C ATOM 0 H LEU A 82 -4.792 -16.692 -30.354 1.00 12.12 H new ATOM 0 HA LEU A 82 -5.573 -17.499 -33.081 1.00 22.30 H new ATOM 0 HB2 LEU A 82 -7.362 -16.078 -32.039 1.00 75.13 H new ATOM 0 HB3 LEU A 82 -6.172 -14.817 -31.787 1.00 75.13 H new ATOM 0 HG LEU A 82 -5.956 -15.374 -34.508 1.00 11.12 H new ATOM 0 HD11 LEU A 82 -8.268 -15.223 -35.345 1.00 42.44 H new ATOM 0 HD12 LEU A 82 -7.995 -16.723 -34.427 1.00 42.44 H new ATOM 0 HD13 LEU A 82 -8.876 -15.370 -33.679 1.00 42.44 H new ATOM 0 HD21 LEU A 82 -7.023 -13.169 -34.779 1.00 44.43 H new ATOM 0 HD22 LEU A 82 -7.583 -13.237 -33.091 1.00 44.43 H new ATOM 0 HD23 LEU A 82 -5.841 -13.171 -33.449 1.00 44.43 H new ATOM 1283 N ASP A 83 -3.439 -15.285 -31.872 1.00 44.12 N ATOM 1284 CA ASP A 83 -2.159 -14.632 -32.126 1.00 35.00 C ATOM 1285 C ASP A 83 -1.099 -15.113 -31.140 1.00 40.34 C ATOM 1286 O ASP A 83 -1.409 -15.463 -30.002 1.00 62.32 O ATOM 1287 CB ASP A 83 -2.310 -13.113 -32.031 1.00 54.13 C ATOM 1288 CG ASP A 83 -3.029 -12.527 -33.231 1.00 5.42 C ATOM 1289 OD1 ASP A 83 -3.695 -11.483 -33.072 1.00 15.45 O ATOM 1290 OD2 ASP A 83 -2.923 -13.111 -34.329 1.00 61.11 O ATOM 0 H ASP A 83 -3.844 -15.079 -30.959 1.00 44.12 H new ATOM 0 HA ASP A 83 -1.838 -14.895 -33.134 1.00 35.00 H new ATOM 0 HB2 ASP A 83 -2.859 -12.861 -31.124 1.00 54.13 H new ATOM 0 HB3 ASP A 83 -1.324 -12.657 -31.944 1.00 54.13 H new ATOM 1295 N ALA A 84 0.153 -15.127 -31.586 1.00 71.14 N ATOM 1296 CA ALA A 84 1.259 -15.564 -30.744 1.00 1.14 C ATOM 1297 C ALA A 84 1.723 -14.442 -29.821 1.00 53.42 C ATOM 1298 O ALA A 84 2.133 -14.687 -28.687 1.00 65.21 O ATOM 1299 CB ALA A 84 2.415 -16.055 -31.603 1.00 31.25 C ATOM 0 H ALA A 84 0.426 -14.841 -32.526 1.00 71.14 H new ATOM 0 HA ALA A 84 0.907 -16.388 -30.123 1.00 1.14 H new ATOM 0 HB1 ALA A 84 3.234 -16.378 -30.961 1.00 31.25 H new ATOM 0 HB2 ALA A 84 2.083 -16.893 -32.216 1.00 31.25 H new ATOM 0 HB3 ALA A 84 2.758 -15.246 -32.249 1.00 31.25 H new ATOM 1305 N SER A 85 1.655 -13.210 -30.315 1.00 52.53 N ATOM 1306 CA SER A 85 2.072 -12.050 -29.536 1.00 42.55 C ATOM 1307 C SER A 85 1.179 -11.866 -28.314 1.00 35.14 C ATOM 1308 O SER A 85 1.653 -11.520 -27.231 1.00 53.50 O ATOM 1309 CB SER A 85 2.037 -10.788 -30.402 1.00 31.33 C ATOM 1310 OG SER A 85 2.563 -11.041 -31.693 1.00 51.11 O ATOM 0 H SER A 85 1.315 -12.989 -31.251 1.00 52.53 H new ATOM 0 HA SER A 85 3.093 -12.221 -29.195 1.00 42.55 H new ATOM 0 HB2 SER A 85 1.011 -10.430 -30.488 1.00 31.33 H new ATOM 0 HB3 SER A 85 2.611 -9.997 -29.920 1.00 31.33 H new ATOM 0 HG SER A 85 2.528 -10.220 -32.227 1.00 51.11 H new ATOM 1316 N CYS A 86 -0.116 -12.101 -28.495 1.00 32.04 N ATOM 1317 CA CYS A 86 -1.078 -11.961 -27.407 1.00 30.31 C ATOM 1318 C CYS A 86 -0.862 -13.038 -26.348 1.00 40.04 C ATOM 1319 O CYS A 86 -0.808 -12.746 -25.154 1.00 74.31 O ATOM 1320 CB CYS A 86 -2.506 -12.040 -27.948 1.00 73.30 C ATOM 1321 SG CYS A 86 -2.877 -10.825 -29.234 1.00 44.15 S ATOM 0 H CYS A 86 -0.524 -12.389 -29.384 1.00 32.04 H new ATOM 0 HA CYS A 86 -0.926 -10.986 -26.944 1.00 30.31 H new ATOM 0 HB2 CYS A 86 -2.677 -13.040 -28.348 1.00 73.30 H new ATOM 0 HB3 CYS A 86 -3.204 -11.903 -27.122 1.00 73.30 H new ATOM 0 HG CYS A 86 -4.107 -10.973 -29.629 1.00 44.15 H new ATOM 1327 N ALA A 87 -0.740 -14.284 -26.795 1.00 51.33 N ATOM 1328 CA ALA A 87 -0.530 -15.404 -25.887 1.00 3.12 C ATOM 1329 C ALA A 87 0.758 -15.229 -25.089 1.00 31.32 C ATOM 1330 O ALA A 87 0.808 -15.533 -23.897 1.00 34.41 O ATOM 1331 CB ALA A 87 -0.499 -16.713 -26.661 1.00 74.15 C ATOM 0 H ALA A 87 -0.783 -14.543 -27.781 1.00 51.33 H new ATOM 0 HA ALA A 87 -1.362 -15.430 -25.184 1.00 3.12 H new ATOM 0 HB1 ALA A 87 -0.341 -17.541 -25.970 1.00 74.15 H new ATOM 0 HB2 ALA A 87 -1.447 -16.850 -27.182 1.00 74.15 H new ATOM 0 HB3 ALA A 87 0.313 -16.687 -27.387 1.00 74.15 H new ATOM 1337 N VAL A 88 1.799 -14.738 -25.754 1.00 31.12 N ATOM 1338 CA VAL A 88 3.087 -14.523 -25.106 1.00 42.41 C ATOM 1339 C VAL A 88 3.005 -13.400 -24.078 1.00 54.33 C ATOM 1340 O VAL A 88 3.508 -13.527 -22.963 1.00 21.33 O ATOM 1341 CB VAL A 88 4.183 -14.183 -26.134 1.00 75.04 C ATOM 1342 CG1 VAL A 88 5.467 -13.771 -25.431 1.00 15.13 C ATOM 1343 CG2 VAL A 88 4.428 -15.365 -27.061 1.00 10.45 C ATOM 0 H VAL A 88 1.775 -14.482 -26.741 1.00 31.12 H new ATOM 0 HA VAL A 88 3.347 -15.454 -24.603 1.00 42.41 H new ATOM 0 HB VAL A 88 3.842 -13.341 -26.737 1.00 75.04 H new ATOM 0 HG11 VAL A 88 6.229 -13.535 -26.174 1.00 15.13 H new ATOM 0 HG12 VAL A 88 5.278 -12.893 -24.813 1.00 15.13 H new ATOM 0 HG13 VAL A 88 5.816 -14.589 -24.801 1.00 15.13 H new ATOM 0 HG21 VAL A 88 5.205 -15.108 -27.781 1.00 10.45 H new ATOM 0 HG22 VAL A 88 4.747 -16.227 -26.475 1.00 10.45 H new ATOM 0 HG23 VAL A 88 3.508 -15.608 -27.592 1.00 10.45 H new ATOM 1353 N ALA A 89 2.366 -12.299 -24.462 1.00 74.42 N ATOM 1354 CA ALA A 89 2.215 -11.154 -23.573 1.00 75.22 C ATOM 1355 C ALA A 89 1.481 -11.545 -22.295 1.00 2.14 C ATOM 1356 O ALA A 89 1.890 -11.171 -21.195 1.00 15.42 O ATOM 1357 CB ALA A 89 1.478 -10.028 -24.283 1.00 72.35 C ATOM 0 H ALA A 89 1.945 -12.176 -25.383 1.00 74.42 H new ATOM 0 HA ALA A 89 3.210 -10.805 -23.298 1.00 75.22 H new ATOM 0 HB1 ALA A 89 1.372 -9.179 -23.607 1.00 72.35 H new ATOM 0 HB2 ALA A 89 2.043 -9.722 -25.164 1.00 72.35 H new ATOM 0 HB3 ALA A 89 0.490 -10.375 -24.587 1.00 72.35 H new ATOM 1363 N ILE A 90 0.397 -12.298 -22.446 1.00 62.14 N ATOM 1364 CA ILE A 90 -0.392 -12.739 -21.303 1.00 72.12 C ATOM 1365 C ILE A 90 0.401 -13.702 -20.426 1.00 73.23 C ATOM 1366 O ILE A 90 0.443 -13.554 -19.206 1.00 15.25 O ATOM 1367 CB ILE A 90 -1.696 -13.425 -21.751 1.00 34.33 C ATOM 1368 CG1 ILE A 90 -2.557 -12.454 -22.562 1.00 20.24 C ATOM 1369 CG2 ILE A 90 -2.465 -13.941 -20.543 1.00 41.01 C ATOM 1370 CD1 ILE A 90 -3.719 -13.120 -23.266 1.00 2.44 C ATOM 0 H ILE A 90 0.045 -12.616 -23.349 1.00 62.14 H new ATOM 0 HA ILE A 90 -0.639 -11.847 -20.727 1.00 72.12 H new ATOM 0 HB ILE A 90 -1.443 -14.274 -22.386 1.00 34.33 H new ATOM 0 HG12 ILE A 90 -2.941 -11.680 -21.898 1.00 20.24 H new ATOM 0 HG13 ILE A 90 -1.930 -11.957 -23.303 1.00 20.24 H new ATOM 0 HG21 ILE A 90 -3.384 -14.423 -20.876 1.00 41.01 H new ATOM 0 HG22 ILE A 90 -1.852 -14.662 -20.002 1.00 41.01 H new ATOM 0 HG23 ILE A 90 -2.710 -13.108 -19.885 1.00 41.01 H new ATOM 0 HD11 ILE A 90 -4.285 -12.372 -23.821 1.00 2.44 H new ATOM 0 HD12 ILE A 90 -3.342 -13.875 -23.956 1.00 2.44 H new ATOM 0 HD13 ILE A 90 -4.368 -13.593 -22.529 1.00 2.44 H new ATOM 1382 N GLU A 91 1.030 -14.688 -21.058 1.00 73.33 N ATOM 1383 CA GLU A 91 1.823 -15.675 -20.335 1.00 34.23 C ATOM 1384 C GLU A 91 2.915 -14.998 -19.512 1.00 33.25 C ATOM 1385 O GLU A 91 3.231 -15.433 -18.405 1.00 32.03 O ATOM 1386 CB GLU A 91 2.449 -16.673 -21.311 1.00 21.55 C ATOM 1387 CG GLU A 91 1.649 -17.956 -21.466 1.00 44.04 C ATOM 1388 CD GLU A 91 1.574 -18.425 -22.906 1.00 61.14 C ATOM 1389 OE1 GLU A 91 0.463 -18.411 -23.477 1.00 21.31 O ATOM 1390 OE2 GLU A 91 2.625 -18.806 -23.463 1.00 21.24 O ATOM 0 H GLU A 91 1.006 -14.824 -22.069 1.00 73.33 H new ATOM 0 HA GLU A 91 1.159 -16.210 -19.656 1.00 34.23 H new ATOM 0 HB2 GLU A 91 2.551 -16.198 -22.287 1.00 21.55 H new ATOM 0 HB3 GLU A 91 3.454 -16.920 -20.970 1.00 21.55 H new ATOM 0 HG2 GLU A 91 2.101 -18.738 -20.856 1.00 44.04 H new ATOM 0 HG3 GLU A 91 0.640 -17.799 -21.086 1.00 44.04 H new ATOM 1397 N GLU A 92 3.487 -13.932 -20.062 1.00 11.35 N ATOM 1398 CA GLU A 92 4.544 -13.196 -19.379 1.00 4.42 C ATOM 1399 C GLU A 92 3.983 -12.401 -18.203 1.00 74.13 C ATOM 1400 O GLU A 92 4.549 -12.405 -17.111 1.00 12.03 O ATOM 1401 CB GLU A 92 5.252 -12.253 -20.354 1.00 53.34 C ATOM 1402 CG GLU A 92 6.588 -11.739 -19.844 1.00 73.43 C ATOM 1403 CD GLU A 92 7.532 -11.355 -20.967 1.00 1.13 C ATOM 1404 OE1 GLU A 92 7.536 -12.052 -22.003 1.00 33.00 O ATOM 1405 OE2 GLU A 92 8.267 -10.358 -20.809 1.00 62.01 O ATOM 0 H GLU A 92 3.237 -13.559 -20.978 1.00 11.35 H new ATOM 0 HA GLU A 92 5.264 -13.919 -18.996 1.00 4.42 H new ATOM 0 HB2 GLU A 92 5.409 -12.773 -21.299 1.00 53.34 H new ATOM 0 HB3 GLU A 92 4.601 -11.404 -20.562 1.00 53.34 H new ATOM 0 HG2 GLU A 92 6.420 -10.873 -19.204 1.00 73.43 H new ATOM 0 HG3 GLU A 92 7.056 -12.506 -19.227 1.00 73.43 H new ATOM 1412 N ALA A 93 2.866 -11.720 -18.437 1.00 34.00 N ATOM 1413 CA ALA A 93 2.226 -10.922 -17.398 1.00 40.04 C ATOM 1414 C ALA A 93 1.892 -11.774 -16.179 1.00 23.24 C ATOM 1415 O ALA A 93 2.104 -11.355 -15.040 1.00 65.13 O ATOM 1416 CB ALA A 93 0.969 -10.259 -17.941 1.00 52.03 C ATOM 0 H ALA A 93 2.386 -11.705 -19.337 1.00 34.00 H new ATOM 0 HA ALA A 93 2.927 -10.147 -17.086 1.00 40.04 H new ATOM 0 HB1 ALA A 93 0.501 -9.666 -17.155 1.00 52.03 H new ATOM 0 HB2 ALA A 93 1.232 -9.610 -18.777 1.00 52.03 H new ATOM 0 HB3 ALA A 93 0.272 -11.025 -18.281 1.00 52.03 H new ATOM 1422 N ILE A 94 1.369 -12.971 -16.424 1.00 10.41 N ATOM 1423 CA ILE A 94 1.007 -13.881 -15.345 1.00 34.12 C ATOM 1424 C ILE A 94 2.244 -14.527 -14.732 1.00 23.41 C ATOM 1425 O ILE A 94 2.289 -14.788 -13.530 1.00 41.10 O ATOM 1426 CB ILE A 94 0.054 -14.987 -15.837 1.00 44.12 C ATOM 1427 CG1 ILE A 94 0.735 -15.835 -16.913 1.00 45.24 C ATOM 1428 CG2 ILE A 94 -1.233 -14.378 -16.371 1.00 54.23 C ATOM 1429 CD1 ILE A 94 -0.159 -16.909 -17.492 1.00 25.33 C ATOM 0 H ILE A 94 1.187 -13.333 -17.360 1.00 10.41 H new ATOM 0 HA ILE A 94 0.498 -13.285 -14.587 1.00 34.12 H new ATOM 0 HB ILE A 94 -0.195 -15.633 -14.995 1.00 44.12 H new ATOM 0 HG12 ILE A 94 1.074 -15.183 -17.718 1.00 45.24 H new ATOM 0 HG13 ILE A 94 1.623 -16.303 -16.487 1.00 45.24 H new ATOM 0 HG21 ILE A 94 -1.896 -15.172 -16.715 1.00 54.23 H new ATOM 0 HG22 ILE A 94 -1.724 -13.813 -15.579 1.00 54.23 H new ATOM 0 HG23 ILE A 94 -1.003 -13.712 -17.203 1.00 54.23 H new ATOM 0 HD11 ILE A 94 0.390 -17.471 -18.248 1.00 25.33 H new ATOM 0 HD12 ILE A 94 -0.477 -17.585 -16.698 1.00 25.33 H new ATOM 0 HD13 ILE A 94 -1.035 -16.447 -17.948 1.00 25.33 H new ATOM 1441 N GLN A 95 3.247 -14.782 -15.566 1.00 41.44 N ATOM 1442 CA GLN A 95 4.486 -15.396 -15.106 1.00 24.43 C ATOM 1443 C GLN A 95 5.227 -14.473 -14.144 1.00 64.31 C ATOM 1444 O GLN A 95 5.927 -14.933 -13.240 1.00 74.02 O ATOM 1445 CB GLN A 95 5.384 -15.739 -16.296 1.00 51.22 C ATOM 1446 CG GLN A 95 6.722 -16.339 -15.896 1.00 60.25 C ATOM 1447 CD GLN A 95 7.547 -16.773 -17.092 1.00 24.12 C ATOM 1448 OE1 GLN A 95 7.969 -15.947 -17.902 1.00 63.50 O ATOM 1449 NE2 GLN A 95 7.783 -18.075 -17.208 1.00 14.20 N ATOM 0 H GLN A 95 3.225 -14.573 -16.564 1.00 41.44 H new ATOM 0 HA GLN A 95 4.231 -16.314 -14.576 1.00 24.43 H new ATOM 0 HB2 GLN A 95 4.860 -16.441 -16.945 1.00 51.22 H new ATOM 0 HB3 GLN A 95 5.560 -14.835 -16.880 1.00 51.22 H new ATOM 0 HG2 GLN A 95 7.285 -15.608 -15.317 1.00 60.25 H new ATOM 0 HG3 GLN A 95 6.551 -17.197 -15.246 1.00 60.25 H new ATOM 0 HE21 GLN A 95 7.414 -18.724 -16.513 1.00 14.20 H new ATOM 0 HE22 GLN A 95 8.334 -18.426 -17.992 1.00 14.20 H new ATOM 1458 N LEU A 96 5.071 -13.170 -14.345 1.00 15.55 N ATOM 1459 CA LEU A 96 5.725 -12.181 -13.495 1.00 42.41 C ATOM 1460 C LEU A 96 4.873 -11.865 -12.270 1.00 55.13 C ATOM 1461 O LEU A 96 5.383 -11.767 -11.154 1.00 42.13 O ATOM 1462 CB LEU A 96 5.996 -10.900 -14.286 1.00 3.52 C ATOM 1463 CG LEU A 96 7.061 -10.998 -15.379 1.00 22.13 C ATOM 1464 CD1 LEU A 96 6.742 -10.048 -16.522 1.00 41.42 C ATOM 1465 CD2 LEU A 96 8.441 -10.704 -14.807 1.00 54.14 C ATOM 0 H LEU A 96 4.497 -12.773 -15.089 1.00 15.55 H new ATOM 0 HA LEU A 96 6.673 -12.600 -13.156 1.00 42.41 H new ATOM 0 HB2 LEU A 96 5.062 -10.576 -14.745 1.00 3.52 H new ATOM 0 HB3 LEU A 96 6.294 -10.120 -13.585 1.00 3.52 H new ATOM 0 HG LEU A 96 7.061 -12.016 -15.770 1.00 22.13 H new ATOM 0 HD11 LEU A 96 7.511 -10.132 -17.290 1.00 41.42 H new ATOM 0 HD12 LEU A 96 5.773 -10.305 -16.949 1.00 41.42 H new ATOM 0 HD13 LEU A 96 6.713 -9.025 -16.147 1.00 41.42 H new ATOM 0 HD21 LEU A 96 9.186 -10.778 -15.599 1.00 54.14 H new ATOM 0 HD22 LEU A 96 8.455 -9.697 -14.389 1.00 54.14 H new ATOM 0 HD23 LEU A 96 8.671 -11.426 -14.023 1.00 54.14 H new ATOM 1477 N TYR A 97 3.571 -11.709 -12.486 1.00 43.24 N ATOM 1478 CA TYR A 97 2.647 -11.404 -11.400 1.00 63.13 C ATOM 1479 C TYR A 97 2.676 -12.499 -10.338 1.00 14.42 C ATOM 1480 O TYR A 97 2.649 -12.216 -9.140 1.00 63.44 O ATOM 1481 CB TYR A 97 1.226 -11.241 -11.942 1.00 44.53 C ATOM 1482 CG TYR A 97 0.205 -10.919 -10.875 1.00 54.22 C ATOM 1483 CD1 TYR A 97 -0.183 -9.607 -10.630 1.00 21.11 C ATOM 1484 CD2 TYR A 97 -0.373 -11.926 -10.112 1.00 5.23 C ATOM 1485 CE1 TYR A 97 -1.116 -9.308 -9.656 1.00 25.14 C ATOM 1486 CE2 TYR A 97 -1.307 -11.636 -9.136 1.00 60.34 C ATOM 1487 CZ TYR A 97 -1.675 -10.326 -8.912 1.00 30.11 C ATOM 1488 OH TYR A 97 -2.604 -10.033 -7.940 1.00 74.43 O ATOM 0 H TYR A 97 3.132 -11.789 -13.403 1.00 43.24 H new ATOM 0 HA TYR A 97 2.962 -10.468 -10.940 1.00 63.13 H new ATOM 0 HB2 TYR A 97 1.220 -10.448 -12.690 1.00 44.53 H new ATOM 0 HB3 TYR A 97 0.932 -12.160 -12.449 1.00 44.53 H new ATOM 0 HD1 TYR A 97 0.252 -8.808 -11.211 1.00 21.11 H new ATOM 0 HD2 TYR A 97 -0.087 -12.953 -10.285 1.00 5.23 H new ATOM 0 HE1 TYR A 97 -1.406 -8.283 -9.478 1.00 25.14 H new ATOM 0 HE2 TYR A 97 -1.746 -12.431 -8.552 1.00 60.34 H new ATOM 0 HH TYR A 97 -2.900 -10.862 -7.509 1.00 74.43 H new ATOM 1498 N GLU A 98 2.730 -13.749 -10.787 1.00 0.23 N ATOM 1499 CA GLU A 98 2.762 -14.886 -9.875 1.00 32.30 C ATOM 1500 C GLU A 98 4.192 -15.198 -9.444 1.00 20.40 C ATOM 1501 O GLU A 98 4.441 -16.186 -8.754 1.00 61.30 O ATOM 1502 CB GLU A 98 2.137 -16.116 -10.537 1.00 20.32 C ATOM 1503 CG GLU A 98 1.431 -17.041 -9.559 1.00 54.44 C ATOM 1504 CD GLU A 98 0.253 -16.375 -8.874 1.00 72.04 C ATOM 1505 OE1 GLU A 98 -0.122 -16.824 -7.771 1.00 32.10 O ATOM 1506 OE2 GLU A 98 -0.294 -15.406 -9.441 1.00 41.02 O ATOM 0 H GLU A 98 2.752 -14.000 -11.775 1.00 0.23 H new ATOM 0 HA GLU A 98 2.183 -14.625 -8.989 1.00 32.30 H new ATOM 0 HB2 GLU A 98 1.424 -15.788 -11.293 1.00 20.32 H new ATOM 0 HB3 GLU A 98 2.916 -16.675 -11.055 1.00 20.32 H new ATOM 0 HG2 GLU A 98 1.084 -17.928 -10.089 1.00 54.44 H new ATOM 0 HG3 GLU A 98 2.142 -17.378 -8.805 1.00 54.44 H new ATOM 1513 N GLU A 99 5.127 -14.349 -9.857 1.00 41.50 N ATOM 1514 CA GLU A 99 6.532 -14.535 -9.515 1.00 3.41 C ATOM 1515 C GLU A 99 7.001 -13.461 -8.537 1.00 50.21 C ATOM 1516 O GLU A 99 7.967 -13.657 -7.801 1.00 23.42 O ATOM 1517 CB GLU A 99 7.396 -14.502 -10.777 1.00 62.34 C ATOM 1518 CG GLU A 99 8.889 -14.470 -10.493 1.00 75.21 C ATOM 1519 CD GLU A 99 9.720 -14.889 -11.690 1.00 75.42 C ATOM 1520 OE1 GLU A 99 9.492 -14.343 -12.790 1.00 43.10 O ATOM 1521 OE2 GLU A 99 10.596 -15.763 -11.528 1.00 23.53 O ATOM 0 H GLU A 99 4.937 -13.526 -10.429 1.00 41.50 H new ATOM 0 HA GLU A 99 6.637 -15.509 -9.037 1.00 3.41 H new ATOM 0 HB2 GLU A 99 7.169 -15.378 -11.385 1.00 62.34 H new ATOM 0 HB3 GLU A 99 7.128 -13.626 -11.367 1.00 62.34 H new ATOM 0 HG2 GLU A 99 9.176 -13.463 -10.191 1.00 75.21 H new ATOM 0 HG3 GLU A 99 9.110 -15.129 -9.654 1.00 75.21 H new ATOM 1528 N GLN A 100 6.309 -12.326 -8.537 1.00 61.03 N ATOM 1529 CA GLN A 100 6.655 -11.221 -7.651 1.00 41.25 C ATOM 1530 C GLN A 100 5.648 -11.101 -6.512 1.00 45.41 C ATOM 1531 O GLN A 100 5.990 -10.667 -5.411 1.00 20.01 O ATOM 1532 CB GLN A 100 6.714 -9.909 -8.437 1.00 34.34 C ATOM 1533 CG GLN A 100 8.078 -9.624 -9.043 1.00 52.25 C ATOM 1534 CD GLN A 100 9.055 -9.047 -8.038 1.00 32.01 C ATOM 1535 OE1 GLN A 100 10.063 -9.672 -7.706 1.00 13.52 O ATOM 1536 NE2 GLN A 100 8.761 -7.849 -7.547 1.00 42.41 N ATOM 0 H GLN A 100 5.506 -12.148 -9.140 1.00 61.03 H new ATOM 0 HA GLN A 100 7.637 -11.424 -7.223 1.00 41.25 H new ATOM 0 HB2 GLN A 100 5.971 -9.939 -9.234 1.00 34.34 H new ATOM 0 HB3 GLN A 100 6.440 -9.087 -7.776 1.00 34.34 H new ATOM 0 HG2 GLN A 100 8.488 -10.546 -9.454 1.00 52.25 H new ATOM 0 HG3 GLN A 100 7.964 -8.928 -9.874 1.00 52.25 H new ATOM 0 HE21 GLN A 100 7.915 -7.367 -7.850 1.00 42.41 H new ATOM 0 HE22 GLN A 100 9.381 -7.411 -6.866 1.00 42.41 H new ATOM 1545 N LEU A 101 4.407 -11.487 -6.783 1.00 53.44 N ATOM 1546 CA LEU A 101 3.349 -11.422 -5.781 1.00 21.03 C ATOM 1547 C LEU A 101 3.398 -12.636 -4.859 1.00 21.04 C ATOM 1548 O LEU A 101 2.939 -12.582 -3.718 1.00 14.14 O ATOM 1549 CB LEU A 101 1.981 -11.338 -6.459 1.00 54.51 C ATOM 1550 CG LEU A 101 0.784 -11.121 -5.532 1.00 21.11 C ATOM 1551 CD1 LEU A 101 0.057 -9.834 -5.890 1.00 23.10 C ATOM 1552 CD2 LEU A 101 -0.165 -12.309 -5.600 1.00 51.41 C ATOM 0 H LEU A 101 4.108 -11.849 -7.689 1.00 53.44 H new ATOM 0 HA LEU A 101 3.506 -10.526 -5.181 1.00 21.03 H new ATOM 0 HB2 LEU A 101 2.006 -10.524 -7.183 1.00 54.51 H new ATOM 0 HB3 LEU A 101 1.819 -12.259 -7.020 1.00 54.51 H new ATOM 0 HG LEU A 101 1.152 -11.033 -4.510 1.00 21.11 H new ATOM 0 HD11 LEU A 101 -0.791 -9.697 -5.220 1.00 23.10 H new ATOM 0 HD12 LEU A 101 0.740 -8.990 -5.789 1.00 23.10 H new ATOM 0 HD13 LEU A 101 -0.299 -9.891 -6.919 1.00 23.10 H new ATOM 0 HD21 LEU A 101 -1.011 -12.138 -4.934 1.00 51.41 H new ATOM 0 HD22 LEU A 101 -0.526 -12.429 -6.622 1.00 51.41 H new ATOM 0 HD23 LEU A 101 0.361 -13.213 -5.293 1.00 51.41 H new ATOM 1564 N LYS A 102 3.960 -13.731 -5.360 1.00 2.24 N ATOM 1565 CA LYS A 102 4.074 -14.958 -4.581 1.00 35.22 C ATOM 1566 C LYS A 102 5.411 -15.017 -3.849 1.00 72.04 C ATOM 1567 O LYS A 102 5.537 -15.678 -2.819 1.00 53.01 O ATOM 1568 CB LYS A 102 3.924 -16.180 -5.491 1.00 13.52 C ATOM 1569 CG LYS A 102 4.294 -17.489 -4.817 1.00 34.44 C ATOM 1570 CD LYS A 102 5.750 -17.849 -5.059 1.00 32.42 C ATOM 1571 CE LYS A 102 5.888 -18.928 -6.122 1.00 51.14 C ATOM 1572 NZ LYS A 102 6.515 -20.165 -5.580 1.00 11.10 N ATOM 0 H LYS A 102 4.344 -13.793 -6.303 1.00 2.24 H new ATOM 0 HA LYS A 102 3.274 -14.963 -3.840 1.00 35.22 H new ATOM 0 HB2 LYS A 102 2.893 -16.239 -5.839 1.00 13.52 H new ATOM 0 HB3 LYS A 102 4.551 -16.045 -6.373 1.00 13.52 H new ATOM 0 HG2 LYS A 102 4.111 -17.412 -3.745 1.00 34.44 H new ATOM 0 HG3 LYS A 102 3.654 -18.287 -5.193 1.00 34.44 H new ATOM 0 HD2 LYS A 102 6.299 -16.960 -5.368 1.00 32.42 H new ATOM 0 HD3 LYS A 102 6.200 -18.194 -4.128 1.00 32.42 H new ATOM 0 HE2 LYS A 102 4.904 -19.167 -6.526 1.00 51.14 H new ATOM 0 HE3 LYS A 102 6.489 -18.549 -6.948 1.00 51.14 H new ATOM 0 HZ1 LYS A 102 6.183 -20.988 -6.122 1.00 11.10 H new ATOM 0 HZ2 LYS A 102 7.550 -20.093 -5.659 1.00 11.10 H new ATOM 0 HZ3 LYS A 102 6.251 -20.279 -4.581 1.00 11.10 H new ATOM 1586 N ALA A 103 6.406 -14.321 -4.389 1.00 1.45 N ATOM 1587 CA ALA A 103 7.732 -14.291 -3.785 1.00 25.21 C ATOM 1588 C ALA A 103 7.747 -13.419 -2.534 1.00 61.10 C ATOM 1589 O ALA A 103 8.508 -13.672 -1.600 1.00 54.50 O ATOM 1590 CB ALA A 103 8.759 -13.792 -4.791 1.00 2.03 C ATOM 0 H ALA A 103 6.319 -13.771 -5.243 1.00 1.45 H new ATOM 0 HA ALA A 103 7.992 -15.308 -3.490 1.00 25.21 H new ATOM 0 HB1 ALA A 103 9.745 -13.775 -4.326 1.00 2.03 H new ATOM 0 HB2 ALA A 103 8.776 -14.458 -5.654 1.00 2.03 H new ATOM 0 HB3 ALA A 103 8.493 -12.786 -5.114 1.00 2.03 H new ATOM 1596 N GLN A 104 6.903 -12.393 -2.524 1.00 12.31 N ATOM 1597 CA GLN A 104 6.821 -11.483 -1.388 1.00 12.35 C ATOM 1598 C GLN A 104 5.616 -11.813 -0.512 1.00 5.51 C ATOM 1599 O GLN A 104 5.149 -10.975 0.259 1.00 41.43 O ATOM 1600 CB GLN A 104 6.733 -10.035 -1.872 1.00 53.51 C ATOM 1601 CG GLN A 104 7.722 -9.701 -2.977 1.00 62.51 C ATOM 1602 CD GLN A 104 7.534 -8.301 -3.526 1.00 61.13 C ATOM 1603 OE1 GLN A 104 7.734 -7.313 -2.820 1.00 13.44 O ATOM 1604 NE2 GLN A 104 7.148 -8.209 -4.793 1.00 40.35 N ATOM 0 H GLN A 104 6.266 -12.171 -3.289 1.00 12.31 H new ATOM 0 HA GLN A 104 7.725 -11.605 -0.792 1.00 12.35 H new ATOM 0 HB2 GLN A 104 5.722 -9.841 -2.230 1.00 53.51 H new ATOM 0 HB3 GLN A 104 6.905 -9.367 -1.028 1.00 53.51 H new ATOM 0 HG2 GLN A 104 8.737 -9.803 -2.594 1.00 62.51 H new ATOM 0 HG3 GLN A 104 7.613 -10.422 -3.787 1.00 62.51 H new ATOM 0 HE21 GLN A 104 6.994 -9.055 -5.342 1.00 40.35 H new ATOM 0 HE22 GLN A 104 7.006 -7.293 -5.218 1.00 40.35 H new ATOM 1613 N ALA A 105 5.118 -13.038 -0.636 1.00 65.45 N ATOM 1614 CA ALA A 105 3.970 -13.479 0.145 1.00 74.22 C ATOM 1615 C ALA A 105 4.305 -14.723 0.960 1.00 31.51 C ATOM 1616 O ALA A 105 3.420 -15.499 1.319 1.00 23.41 O ATOM 1617 CB ALA A 105 2.782 -13.748 -0.768 1.00 65.21 C ATOM 0 H ALA A 105 5.492 -13.743 -1.271 1.00 65.45 H new ATOM 0 HA ALA A 105 3.707 -12.681 0.840 1.00 74.22 H new ATOM 0 HB1 ALA A 105 1.931 -14.077 -0.171 1.00 65.21 H new ATOM 0 HB2 ALA A 105 2.519 -12.835 -1.302 1.00 65.21 H new ATOM 0 HB3 ALA A 105 3.044 -14.525 -1.486 1.00 65.21 H new ATOM 1623 N GLY A 106 5.590 -14.908 1.249 1.00 52.12 N ATOM 1624 CA GLY A 106 6.019 -16.060 2.019 1.00 31.51 C ATOM 1625 C GLY A 106 6.116 -17.317 1.177 1.00 33.21 C ATOM 1626 O GLY A 106 5.641 -18.379 1.578 1.00 60.25 O ATOM 0 H GLY A 106 6.341 -14.280 0.963 1.00 52.12 H new ATOM 0 HA2 GLY A 106 6.990 -15.852 2.468 1.00 31.51 H new ATOM 0 HA3 GLY A 106 5.319 -16.228 2.837 1.00 31.51 H new ATOM 1630 N GLY A 107 6.731 -17.197 0.005 1.00 45.42 N ATOM 1631 CA GLY A 107 6.876 -18.339 -0.878 1.00 71.03 C ATOM 1632 C GLY A 107 8.220 -19.024 -0.725 1.00 54.24 C ATOM 1633 O GLY A 107 8.651 -19.767 -1.607 1.00 74.44 O ATOM 0 H GLY A 107 7.132 -16.328 -0.349 1.00 45.42 H new ATOM 0 HA2 GLY A 107 6.081 -19.056 -0.673 1.00 71.03 H new ATOM 0 HA3 GLY A 107 6.753 -18.013 -1.911 1.00 71.03 H new ATOM 1637 N THR A 108 8.886 -18.772 0.397 1.00 21.31 N ATOM 1638 CA THR A 108 10.190 -19.367 0.662 1.00 71.45 C ATOM 1639 C THR A 108 11.240 -18.845 -0.311 1.00 44.45 C ATOM 1640 O THR A 108 11.806 -19.605 -1.096 1.00 2.31 O ATOM 1641 CB THR A 108 10.136 -20.904 0.565 1.00 42.33 C ATOM 1642 OG1 THR A 108 8.864 -21.379 1.019 1.00 24.25 O ATOM 1643 CG2 THR A 108 11.245 -21.537 1.391 1.00 22.12 C ATOM 0 H THR A 108 8.544 -18.160 1.137 1.00 21.31 H new ATOM 0 HA THR A 108 10.467 -19.083 1.677 1.00 71.45 H new ATOM 0 HB THR A 108 10.276 -21.186 -0.479 1.00 42.33 H new ATOM 0 HG1 THR A 108 8.837 -22.356 0.953 1.00 24.25 H new ATOM 0 HG21 THR A 108 11.187 -22.622 1.307 1.00 22.12 H new ATOM 0 HG22 THR A 108 12.213 -21.196 1.023 1.00 22.12 H new ATOM 0 HG23 THR A 108 11.131 -21.247 2.436 1.00 22.12 H new ATOM 1651 N ASN A 109 11.497 -17.542 -0.254 1.00 50.34 N ATOM 1652 CA ASN A 109 12.481 -16.917 -1.131 1.00 73.24 C ATOM 1653 C ASN A 109 12.212 -17.273 -2.590 1.00 63.25 C ATOM 1654 O ASN A 109 13.137 -17.366 -3.397 1.00 2.52 O ATOM 1655 CB ASN A 109 13.894 -17.354 -0.740 1.00 12.01 C ATOM 1656 CG ASN A 109 14.196 -17.090 0.722 1.00 4.44 C ATOM 1657 OD1 ASN A 109 14.331 -18.019 1.518 1.00 63.41 O ATOM 1658 ND2 ASN A 109 14.304 -15.816 1.083 1.00 22.12 N ATOM 0 H ASN A 109 11.038 -16.898 0.390 1.00 50.34 H new ATOM 0 HA ASN A 109 12.398 -15.836 -1.017 1.00 73.24 H new ATOM 0 HB2 ASN A 109 14.013 -18.418 -0.947 1.00 12.01 H new ATOM 0 HB3 ASN A 109 14.619 -16.826 -1.359 1.00 12.01 H new ATOM 0 HD21 ASN A 109 14.506 -15.576 2.054 1.00 22.12 H new ATOM 0 HD22 ASN A 109 14.184 -15.078 0.390 1.00 22.12 H new ATOM 1665 N GLU A 110 10.940 -17.471 -2.921 1.00 60.23 N ATOM 1666 CA GLU A 110 10.551 -17.817 -4.283 1.00 74.23 C ATOM 1667 C GLU A 110 9.233 -17.146 -4.659 1.00 52.14 C ATOM 1668 O GLU A 110 8.876 -17.073 -5.835 1.00 13.13 O ATOM 1669 CB GLU A 110 10.423 -19.335 -4.431 1.00 11.20 C ATOM 1670 CG GLU A 110 11.371 -19.928 -5.459 1.00 61.14 C ATOM 1671 CD GLU A 110 10.974 -19.589 -6.883 1.00 44.50 C ATOM 1672 OE1 GLU A 110 10.459 -20.484 -7.584 1.00 63.54 O ATOM 1673 OE2 GLU A 110 11.179 -18.428 -7.296 1.00 31.02 O ATOM 0 H GLU A 110 10.162 -17.398 -2.265 1.00 60.23 H new ATOM 0 HA GLU A 110 11.328 -17.458 -4.958 1.00 74.23 H new ATOM 0 HB2 GLU A 110 10.610 -19.803 -3.464 1.00 11.20 H new ATOM 0 HB3 GLU A 110 9.398 -19.579 -4.711 1.00 11.20 H new ATOM 0 HG2 GLU A 110 12.380 -19.562 -5.270 1.00 61.14 H new ATOM 0 HG3 GLU A 110 11.397 -21.011 -5.341 1.00 61.14 H new TER 1680 GLU A 110