USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot -139:sc= -1.06 USER MOD Set 1.2: A 43 GLN : amide:sc= -4.69! C(o=-10!,f=-12!) USER MOD Set 1.3: A 74 MET CE :methyl 157:sc= -4.21! (180deg=-2.6) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.361 K(o=-1.4,f=-3.1) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc=-0.00768 (180deg=-1.09) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 17 THR OG1 : rot 68:sc= 0.0256 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 70:sc= 1.04 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= -3.13! (180deg=-4.61!) USER MOD Single : A 30 GLN : amide:sc= -0.633 K(o=-0.63,f=-3.2) USER MOD Single : A 33 LYS NZ :NH3+ -130:sc= 0.7 (180deg=-3.79!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.157) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.364 F(o=-2.8,f=-0.36) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= -0.272 (180deg=-2.31!) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= -0.0611 (180deg=-0.297) USER MOD Single : A 69 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0245 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -161:sc= 0 (180deg=-0.466) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.671 -1.665 -3.373 1.00 0.00 N ATOM 19 CA ALA A 2 2.895 -3.027 -3.844 1.00 0.00 C ATOM 20 C ALA A 2 4.341 -3.225 -4.283 1.00 0.00 C ATOM 21 O ALA A 2 4.817 -2.563 -5.206 1.00 0.00 O ATOM 22 CB ALA A 2 1.945 -3.352 -4.987 1.00 0.00 C ATOM 0 HA ALA A 2 2.698 -3.709 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.123 -4.372 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.915 -3.260 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.115 -2.658 -5.810 1.00 0.00 H new ATOM 28 N LEU A 3 5.037 -4.139 -3.616 1.00 0.00 N ATOM 29 CA LEU A 3 6.431 -4.424 -3.937 1.00 0.00 C ATOM 30 C LEU A 3 6.534 -5.511 -5.003 1.00 0.00 C ATOM 31 O LEU A 3 6.163 -6.664 -4.786 1.00 0.00 O ATOM 32 CB LEU A 3 7.187 -4.855 -2.679 1.00 0.00 C ATOM 33 CG LEU A 3 7.872 -3.737 -1.892 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.634 -4.309 -0.706 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.804 -2.942 -2.794 1.00 0.00 C ATOM 0 H LEU A 3 4.659 -4.695 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 3 6.881 -3.512 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.488 -5.364 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.943 -5.586 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 3 7.104 -3.063 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.115 -3.499 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.941 -4.832 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.392 -5.006 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.282 -2.151 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.567 -3.604 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.232 -2.500 -3.610 1.00 0.00 H new ATOM 47 N PRO A 4 7.050 -5.136 -6.183 1.00 0.00 N ATOM 48 CA PRO A 4 7.215 -6.064 -7.305 1.00 0.00 C ATOM 49 C PRO A 4 8.305 -7.099 -7.046 1.00 0.00 C ATOM 50 O PRO A 4 9.212 -6.871 -6.244 1.00 0.00 O ATOM 51 CB PRO A 4 7.612 -5.150 -8.467 1.00 0.00 C ATOM 52 CG PRO A 4 8.234 -3.962 -7.818 1.00 0.00 C ATOM 53 CD PRO A 4 7.512 -3.777 -6.512 1.00 0.00 C ATOM 0 HA PRO A 4 6.311 -6.643 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.312 -5.646 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.744 -4.867 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.300 -4.120 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.135 -3.077 -8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.172 -3.379 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.678 -3.081 -6.609 1.00 0.00 H new ATOM 61 N ILE A 5 8.211 -8.235 -7.729 1.00 0.00 N ATOM 62 CA ILE A 5 9.191 -9.302 -7.573 1.00 0.00 C ATOM 63 C ILE A 5 9.386 -10.065 -8.879 1.00 0.00 C ATOM 64 O ILE A 5 8.419 -10.486 -9.514 1.00 0.00 O ATOM 65 CB ILE A 5 8.773 -10.293 -6.470 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.026 -9.689 -5.088 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.524 -11.607 -6.626 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.678 -10.650 -4.118 1.00 0.00 C ATOM 0 H ILE A 5 7.466 -8.440 -8.395 1.00 0.00 H new ATOM 0 HA ILE A 5 10.131 -8.828 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 5 7.706 -10.493 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.660 -8.809 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.078 -9.350 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.218 -12.297 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.297 -12.043 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.596 -11.424 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.827 -10.154 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.036 -11.520 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.642 -10.970 -4.515 1.00 0.00 H new ATOM 80 N ILE A 6 10.643 -10.240 -9.273 1.00 0.00 N ATOM 81 CA ILE A 6 10.964 -10.955 -10.502 1.00 0.00 C ATOM 82 C ILE A 6 11.277 -12.421 -10.220 1.00 0.00 C ATOM 83 O ILE A 6 11.986 -12.743 -9.267 1.00 0.00 O ATOM 84 CB ILE A 6 12.164 -10.316 -11.227 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.767 -8.964 -11.823 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.684 -11.248 -12.312 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.873 -7.934 -11.772 1.00 0.00 C ATOM 0 H ILE A 6 11.455 -9.897 -8.760 1.00 0.00 H new ATOM 0 HA ILE A 6 10.085 -10.891 -11.143 1.00 0.00 H new ATOM 0 HB ILE A 6 12.962 -10.152 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.463 -9.108 -12.860 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.899 -8.580 -11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.532 -10.783 -12.815 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.001 -12.189 -11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.893 -11.440 -13.036 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.521 -7.000 -12.211 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.162 -7.761 -10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.734 -8.297 -12.333 1.00 0.00 H new ATOM 99 N VAL A 7 10.744 -13.305 -11.057 1.00 0.00 N ATOM 100 CA VAL A 7 10.968 -14.737 -10.900 1.00 0.00 C ATOM 101 C VAL A 7 11.676 -15.320 -12.118 1.00 0.00 C ATOM 102 O VAL A 7 11.407 -14.926 -13.254 1.00 0.00 O ATOM 103 CB VAL A 7 9.643 -15.492 -10.681 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.951 -15.753 -12.010 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.889 -16.793 -9.933 1.00 0.00 C ATOM 0 H VAL A 7 10.154 -13.055 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 7 11.600 -14.863 -10.021 1.00 0.00 H new ATOM 0 HB VAL A 7 8.986 -14.870 -10.074 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.017 -16.287 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.740 -14.804 -12.503 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.600 -16.355 -12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.942 -17.313 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.564 -17.423 -10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.337 -16.576 -8.963 1.00 0.00 H new ATOM 115 N LYS A 8 12.582 -16.260 -11.875 1.00 0.00 N ATOM 116 CA LYS A 8 13.329 -16.900 -12.951 1.00 0.00 C ATOM 117 C LYS A 8 13.079 -18.405 -12.968 1.00 0.00 C ATOM 118 O LYS A 8 13.360 -19.101 -11.993 1.00 0.00 O ATOM 119 CB LYS A 8 14.826 -16.623 -12.795 1.00 0.00 C ATOM 120 CG LYS A 8 15.548 -16.420 -14.116 1.00 0.00 C ATOM 121 CD LYS A 8 16.730 -15.478 -13.966 1.00 0.00 C ATOM 122 CE LYS A 8 16.378 -14.067 -14.412 1.00 0.00 C ATOM 123 NZ LYS A 8 15.488 -13.382 -13.433 1.00 0.00 N ATOM 0 H LYS A 8 12.817 -16.596 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 8 12.984 -16.482 -13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.960 -15.735 -12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.287 -17.455 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.894 -17.382 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.853 -16.019 -14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.054 -15.462 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.569 -15.848 -14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.292 -13.487 -14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.887 -14.105 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.641 -12.355 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.495 -13.596 -13.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.705 -13.717 -12.473 1.00 0.00 H new ATOM 137 N TRP A 9 12.550 -18.899 -14.081 1.00 0.00 N ATOM 138 CA TRP A 9 12.263 -20.322 -14.225 1.00 0.00 C ATOM 139 C TRP A 9 12.469 -20.776 -15.665 1.00 0.00 C ATOM 140 O TRP A 9 11.881 -20.220 -16.592 1.00 0.00 O ATOM 141 CB TRP A 9 10.830 -20.621 -13.782 1.00 0.00 C ATOM 142 CG TRP A 9 10.401 -22.029 -14.070 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.249 -22.425 -14.687 1.00 0.00 C ATOM 144 CD2 TRP A 9 11.119 -23.225 -13.749 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.207 -23.796 -14.769 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.343 -24.310 -14.202 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.342 -23.486 -13.126 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.752 -25.632 -14.049 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.746 -24.799 -12.974 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.953 -25.859 -13.435 1.00 0.00 C ATOM 0 H TRP A 9 12.311 -18.336 -14.897 1.00 0.00 H new ATOM 0 HA TRP A 9 12.955 -20.873 -13.588 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.741 -20.433 -12.712 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.151 -19.932 -14.284 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.483 -21.759 -15.056 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.452 -24.342 -15.185 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.961 -22.676 -12.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 10.142 -26.450 -14.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.689 -25.012 -12.492 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.297 -26.874 -13.303 1.00 0.00 H new ATOM 161 N GLY A 10 13.308 -21.792 -15.847 1.00 0.00 N ATOM 162 CA GLY A 10 13.576 -22.303 -17.179 1.00 0.00 C ATOM 163 C GLY A 10 14.087 -21.230 -18.120 1.00 0.00 C ATOM 164 O GLY A 10 13.849 -21.288 -19.326 1.00 0.00 O ATOM 0 H GLY A 10 13.806 -22.270 -15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.310 -23.106 -17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.664 -22.737 -17.589 1.00 0.00 H new ATOM 168 N GLY A 11 14.791 -20.247 -17.568 1.00 0.00 N ATOM 169 CA GLY A 11 15.324 -19.169 -18.381 1.00 0.00 C ATOM 170 C GLY A 11 14.300 -18.084 -18.649 1.00 0.00 C ATOM 171 O GLY A 11 14.595 -17.095 -19.319 1.00 0.00 O ATOM 0 H GLY A 11 15.002 -20.178 -16.572 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.188 -18.733 -17.880 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.677 -19.574 -19.330 1.00 0.00 H new ATOM 175 N GLN A 12 13.092 -18.270 -18.126 1.00 0.00 N ATOM 176 CA GLN A 12 12.020 -17.300 -18.315 1.00 0.00 C ATOM 177 C GLN A 12 12.051 -16.235 -17.223 1.00 0.00 C ATOM 178 O GLN A 12 12.654 -16.432 -16.169 1.00 0.00 O ATOM 179 CB GLN A 12 10.662 -18.003 -18.320 1.00 0.00 C ATOM 180 CG GLN A 12 10.578 -19.159 -19.304 1.00 0.00 C ATOM 181 CD GLN A 12 9.356 -20.027 -19.081 1.00 0.00 C ATOM 182 OE1 GLN A 12 8.471 -20.104 -19.934 1.00 0.00 O ATOM 183 NE2 GLN A 12 9.301 -20.688 -17.931 1.00 0.00 N ATOM 0 H GLN A 12 12.831 -19.083 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 12 12.171 -16.812 -19.278 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.451 -18.375 -17.317 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.887 -17.275 -18.560 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.559 -18.765 -20.320 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.475 -19.772 -19.216 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.057 -20.595 -17.253 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.503 -21.289 -17.726 1.00 0.00 H new ATOM 192 N GLU A 13 11.397 -15.107 -17.485 1.00 0.00 N ATOM 193 CA GLU A 13 11.352 -14.011 -16.524 1.00 0.00 C ATOM 194 C GLU A 13 9.926 -13.497 -16.352 1.00 0.00 C ATOM 195 O GLU A 13 9.256 -13.156 -17.328 1.00 0.00 O ATOM 196 CB GLU A 13 12.267 -12.871 -16.974 1.00 0.00 C ATOM 197 CG GLU A 13 13.611 -12.853 -16.266 1.00 0.00 C ATOM 198 CD GLU A 13 14.708 -12.234 -17.111 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.710 -12.463 -18.339 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.562 -11.521 -16.546 1.00 0.00 O ATOM 0 H GLU A 13 10.892 -14.929 -18.353 1.00 0.00 H new ATOM 0 HA GLU A 13 11.701 -14.389 -15.563 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.433 -12.952 -18.048 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.762 -11.921 -16.800 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.519 -12.297 -15.333 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.892 -13.873 -16.002 1.00 0.00 H new ATOM 207 N TYR A 14 9.468 -13.444 -15.107 1.00 0.00 N ATOM 208 CA TYR A 14 8.120 -12.975 -14.807 1.00 0.00 C ATOM 209 C TYR A 14 8.109 -12.127 -13.538 1.00 0.00 C ATOM 210 O TYR A 14 8.508 -12.586 -12.468 1.00 0.00 O ATOM 211 CB TYR A 14 7.167 -14.161 -14.650 1.00 0.00 C ATOM 212 CG TYR A 14 7.252 -15.159 -15.782 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.636 -14.910 -17.002 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.948 -16.352 -15.631 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.710 -15.820 -18.039 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.028 -17.268 -16.663 1.00 0.00 C ATOM 217 CZ TYR A 14 7.407 -16.997 -17.864 1.00 0.00 C ATOM 218 OH TYR A 14 7.484 -17.906 -18.895 1.00 0.00 O ATOM 0 H TYR A 14 10.010 -13.720 -14.288 1.00 0.00 H new ATOM 0 HA TYR A 14 7.784 -12.356 -15.639 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.385 -14.670 -13.711 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.145 -13.789 -14.581 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.090 -13.989 -17.142 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.435 -16.567 -14.691 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.225 -15.611 -18.981 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.574 -18.190 -16.530 1.00 0.00 H new ATOM 0 HH TYR A 14 7.446 -17.432 -19.752 1.00 0.00 H new ATOM 228 N SER A 15 7.647 -10.887 -13.668 1.00 0.00 N ATOM 229 CA SER A 15 7.586 -9.973 -12.533 1.00 0.00 C ATOM 230 C SER A 15 6.185 -9.949 -11.930 1.00 0.00 C ATOM 231 O SER A 15 5.198 -10.227 -12.612 1.00 0.00 O ATOM 232 CB SER A 15 7.991 -8.562 -12.966 1.00 0.00 C ATOM 233 OG SER A 15 8.560 -7.841 -11.886 1.00 0.00 O ATOM 0 H SER A 15 7.310 -10.493 -14.546 1.00 0.00 H new ATOM 0 HA SER A 15 8.284 -10.327 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.707 -8.621 -13.785 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.118 -8.029 -13.343 1.00 0.00 H new ATOM 0 HG SER A 15 8.812 -6.944 -12.188 1.00 0.00 H new ATOM 239 N VAL A 16 6.105 -9.614 -10.646 1.00 0.00 N ATOM 240 CA VAL A 16 4.826 -9.552 -9.950 1.00 0.00 C ATOM 241 C VAL A 16 4.416 -8.108 -9.681 1.00 0.00 C ATOM 242 O VAL A 16 5.263 -7.239 -9.472 1.00 0.00 O ATOM 243 CB VAL A 16 4.876 -10.317 -8.614 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.915 -9.347 -7.444 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.689 -11.261 -8.496 1.00 0.00 C ATOM 0 H VAL A 16 6.912 -9.381 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 16 4.088 -10.021 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 16 5.788 -10.913 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.950 -9.906 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.801 -8.717 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.022 -8.722 -7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.740 -11.793 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.763 -10.688 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.712 -11.979 -9.316 1.00 0.00 H new ATOM 255 N THR A 17 3.110 -7.859 -9.686 1.00 0.00 N ATOM 256 CA THR A 17 2.587 -6.521 -9.443 1.00 0.00 C ATOM 257 C THR A 17 1.190 -6.579 -8.835 1.00 0.00 C ATOM 258 O THR A 17 0.254 -5.961 -9.344 1.00 0.00 O ATOM 259 CB THR A 17 2.535 -5.693 -10.742 1.00 0.00 C ATOM 260 OG1 THR A 17 1.829 -6.416 -11.756 1.00 0.00 O ATOM 261 CG2 THR A 17 3.938 -5.365 -11.230 1.00 0.00 C ATOM 0 H THR A 17 2.395 -8.567 -9.856 1.00 0.00 H new ATOM 0 HA THR A 17 3.267 -6.039 -8.740 1.00 0.00 H new ATOM 0 HB THR A 17 2.012 -4.760 -10.532 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.884 -6.489 -11.508 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.877 -4.780 -12.148 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.463 -4.790 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.481 -6.290 -11.425 1.00 0.00 H new ATOM 269 N THR A 18 1.056 -7.324 -7.743 1.00 0.00 N ATOM 270 CA THR A 18 -0.227 -7.463 -7.065 1.00 0.00 C ATOM 271 C THR A 18 -0.067 -7.346 -5.554 1.00 0.00 C ATOM 272 O THR A 18 -0.887 -6.724 -4.878 1.00 0.00 O ATOM 273 CB THR A 18 -0.895 -8.811 -7.397 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.844 -9.151 -6.380 1.00 0.00 O ATOM 275 CG2 THR A 18 0.145 -9.915 -7.516 1.00 0.00 C ATOM 0 H THR A 18 1.821 -7.841 -7.309 1.00 0.00 H new ATOM 0 HA THR A 18 -0.862 -6.653 -7.423 1.00 0.00 H new ATOM 0 HB THR A 18 -1.408 -8.712 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.265 -10.008 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.350 -10.857 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.849 -9.667 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.682 -10.012 -6.572 1.00 0.00 H new ATOM 283 N LEU A 19 0.995 -7.947 -5.029 1.00 0.00 N ATOM 284 CA LEU A 19 1.265 -7.910 -3.595 1.00 0.00 C ATOM 285 C LEU A 19 2.692 -7.447 -3.321 1.00 0.00 C ATOM 286 O LEU A 19 3.464 -7.203 -4.248 1.00 0.00 O ATOM 287 CB LEU A 19 1.037 -9.291 -2.978 1.00 0.00 C ATOM 288 CG LEU A 19 2.000 -10.393 -3.423 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.333 -11.312 -2.258 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.406 -11.186 -4.578 1.00 0.00 C ATOM 0 H LEU A 19 1.683 -8.466 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 19 0.578 -7.197 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.100 -9.197 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.021 -9.608 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 19 2.923 -9.926 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.019 -12.090 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.801 -10.734 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.418 -11.772 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.105 -11.966 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.468 -11.642 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.219 -10.519 -5.419 1.00 0.00 H new ATOM 302 N SER A 20 3.036 -7.332 -2.042 1.00 0.00 N ATOM 303 CA SER A 20 4.370 -6.897 -1.646 1.00 0.00 C ATOM 304 C SER A 20 5.168 -8.058 -1.061 1.00 0.00 C ATOM 305 O SER A 20 4.598 -9.039 -0.585 1.00 0.00 O ATOM 306 CB SER A 20 4.276 -5.761 -0.625 1.00 0.00 C ATOM 307 OG SER A 20 2.930 -5.373 -0.415 1.00 0.00 O ATOM 0 H SER A 20 2.409 -7.534 -1.263 1.00 0.00 H new ATOM 0 HA SER A 20 4.887 -6.535 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.717 -6.080 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.854 -4.905 -0.974 1.00 0.00 H new ATOM 0 HG SER A 20 2.454 -6.086 0.060 1.00 0.00 H new ATOM 313 N GLU A 21 6.491 -7.937 -1.100 1.00 0.00 N ATOM 314 CA GLU A 21 7.368 -8.977 -0.575 1.00 0.00 C ATOM 315 C GLU A 21 7.097 -9.220 0.907 1.00 0.00 C ATOM 316 O GLU A 21 7.438 -10.272 1.447 1.00 0.00 O ATOM 317 CB GLU A 21 8.834 -8.590 -0.779 1.00 0.00 C ATOM 318 CG GLU A 21 9.354 -7.605 0.255 1.00 0.00 C ATOM 319 CD GLU A 21 10.802 -7.222 0.020 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.469 -7.897 -0.792 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.269 -6.249 0.648 1.00 0.00 O ATOM 0 H GLU A 21 6.979 -7.130 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 21 7.163 -9.898 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.446 -9.491 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.952 -8.157 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.737 -6.707 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.254 -8.041 1.249 1.00 0.00 H new ATOM 328 N ASP A 22 6.482 -8.239 1.558 1.00 0.00 N ATOM 329 CA ASP A 22 6.164 -8.345 2.978 1.00 0.00 C ATOM 330 C ASP A 22 4.828 -9.052 3.184 1.00 0.00 C ATOM 331 O ASP A 22 4.329 -9.142 4.305 1.00 0.00 O ATOM 332 CB ASP A 22 6.124 -6.957 3.618 1.00 0.00 C ATOM 333 CG ASP A 22 7.491 -6.302 3.666 1.00 0.00 C ATOM 334 OD1 ASP A 22 8.449 -6.887 3.118 1.00 0.00 O ATOM 335 OD2 ASP A 22 7.602 -5.204 4.251 1.00 0.00 O ATOM 0 H ASP A 22 6.194 -7.361 1.126 1.00 0.00 H new ATOM 0 HA ASP A 22 6.945 -8.935 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.439 -6.321 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.727 -7.038 4.630 1.00 0.00 H new ATOM 340 N ASP A 23 4.255 -9.552 2.094 1.00 0.00 N ATOM 341 CA ASP A 23 2.977 -10.251 2.155 1.00 0.00 C ATOM 342 C ASP A 23 3.169 -11.697 2.603 1.00 0.00 C ATOM 343 O ASP A 23 2.926 -12.037 3.761 1.00 0.00 O ATOM 344 CB ASP A 23 2.286 -10.214 0.791 1.00 0.00 C ATOM 345 CG ASP A 23 1.625 -8.878 0.513 1.00 0.00 C ATOM 346 OD1 ASP A 23 2.330 -7.849 0.554 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.404 -8.863 0.254 1.00 0.00 O ATOM 0 H ASP A 23 4.656 -9.486 1.158 1.00 0.00 H new ATOM 0 HA ASP A 23 2.348 -9.744 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.018 -10.424 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.536 -11.004 0.745 1.00 0.00 H new ATOM 352 N THR A 24 3.606 -12.545 1.677 1.00 0.00 N ATOM 353 CA THR A 24 3.829 -13.954 1.975 1.00 0.00 C ATOM 354 C THR A 24 4.303 -14.709 0.739 1.00 0.00 C ATOM 355 O THR A 24 3.937 -14.370 -0.386 1.00 0.00 O ATOM 356 CB THR A 24 2.550 -14.623 2.513 1.00 0.00 C ATOM 357 OG1 THR A 24 1.413 -13.797 2.239 1.00 0.00 O ATOM 358 CG2 THR A 24 2.656 -14.869 4.010 1.00 0.00 C ATOM 0 H THR A 24 3.813 -12.280 0.714 1.00 0.00 H new ATOM 0 HA THR A 24 4.603 -13.997 2.742 1.00 0.00 H new ATOM 0 HB THR A 24 2.430 -15.583 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.604 -14.230 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.741 -15.342 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.505 -15.522 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.798 -13.919 4.526 1.00 0.00 H new ATOM 366 N VAL A 25 5.120 -15.735 0.956 1.00 0.00 N ATOM 367 CA VAL A 25 5.644 -16.540 -0.141 1.00 0.00 C ATOM 368 C VAL A 25 4.514 -17.169 -0.950 1.00 0.00 C ATOM 369 O VAL A 25 4.466 -17.040 -2.174 1.00 0.00 O ATOM 370 CB VAL A 25 6.573 -17.655 0.374 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.411 -18.915 -0.462 1.00 0.00 C ATOM 372 CG2 VAL A 25 8.020 -17.186 0.371 1.00 0.00 C ATOM 0 H VAL A 25 5.433 -16.028 1.881 1.00 0.00 H new ATOM 0 HA VAL A 25 6.216 -15.868 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 25 6.293 -17.891 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.076 -19.691 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.379 -19.260 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.662 -18.698 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.663 -17.986 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.314 -16.921 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.121 -16.314 1.017 1.00 0.00 H new ATOM 382 N LEU A 26 3.607 -17.849 -0.258 1.00 0.00 N ATOM 383 CA LEU A 26 2.475 -18.498 -0.911 1.00 0.00 C ATOM 384 C LEU A 26 1.622 -17.480 -1.661 1.00 0.00 C ATOM 385 O LEU A 26 0.901 -17.828 -2.596 1.00 0.00 O ATOM 386 CB LEU A 26 1.620 -19.235 0.121 1.00 0.00 C ATOM 387 CG LEU A 26 0.225 -18.662 0.369 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.754 -19.164 -0.681 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.259 -19.022 1.766 1.00 0.00 C ATOM 0 H LEU A 26 3.633 -17.966 0.755 1.00 0.00 H new ATOM 0 HA LEU A 26 2.866 -19.217 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.514 -20.272 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.159 -19.247 1.068 1.00 0.00 H new ATOM 0 HG LEU A 26 0.282 -17.576 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.742 -18.745 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.416 -18.855 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.807 -20.252 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.254 -18.606 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.299 -20.106 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.428 -18.612 2.506 1.00 0.00 H new ATOM 401 N ASP A 27 1.712 -16.221 -1.247 1.00 0.00 N ATOM 402 CA ASP A 27 0.951 -15.151 -1.881 1.00 0.00 C ATOM 403 C ASP A 27 1.574 -14.760 -3.218 1.00 0.00 C ATOM 404 O ASP A 27 0.872 -14.582 -4.214 1.00 0.00 O ATOM 405 CB ASP A 27 0.880 -13.931 -0.961 1.00 0.00 C ATOM 406 CG ASP A 27 -0.168 -12.930 -1.406 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.443 -12.861 -2.622 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.713 -12.216 -0.538 1.00 0.00 O ATOM 0 H ASP A 27 2.305 -15.916 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.059 -15.517 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.658 -14.258 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.855 -13.444 -0.933 1.00 0.00 H new ATOM 413 N LEU A 28 2.895 -14.626 -3.232 1.00 0.00 N ATOM 414 CA LEU A 28 3.614 -14.254 -4.446 1.00 0.00 C ATOM 415 C LEU A 28 3.857 -15.474 -5.329 1.00 0.00 C ATOM 416 O LEU A 28 3.538 -15.466 -6.518 1.00 0.00 O ATOM 417 CB LEU A 28 4.947 -13.593 -4.091 1.00 0.00 C ATOM 418 CG LEU A 28 5.457 -12.540 -5.074 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.127 -11.395 -4.331 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.419 -13.165 -6.074 1.00 0.00 C ATOM 0 H LEU A 28 3.491 -14.769 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 28 3.000 -13.544 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.849 -13.128 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.703 -14.373 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 28 4.604 -12.140 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.484 -10.655 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.409 -10.929 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.970 -11.778 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.772 -12.400 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.269 -13.593 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.906 -13.949 -6.631 1.00 0.00 H new ATOM 432 N LYS A 29 4.423 -16.522 -4.739 1.00 0.00 N ATOM 433 CA LYS A 29 4.706 -17.751 -5.471 1.00 0.00 C ATOM 434 C LYS A 29 3.475 -18.224 -6.238 1.00 0.00 C ATOM 435 O LYS A 29 3.567 -18.594 -7.408 1.00 0.00 O ATOM 436 CB LYS A 29 5.172 -18.846 -4.508 1.00 0.00 C ATOM 437 CG LYS A 29 6.682 -18.941 -4.380 1.00 0.00 C ATOM 438 CD LYS A 29 7.263 -17.710 -3.703 1.00 0.00 C ATOM 439 CE LYS A 29 7.583 -16.618 -4.712 1.00 0.00 C ATOM 440 NZ LYS A 29 8.871 -15.937 -4.401 1.00 0.00 N ATOM 0 H LYS A 29 4.695 -16.545 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 29 5.501 -17.543 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.743 -18.659 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.783 -19.806 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.944 -19.830 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.125 -19.057 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.555 -17.330 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.169 -17.984 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.632 -17.050 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.777 -15.884 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.389 -15.754 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.680 -15.036 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.445 -16.545 -3.783 1.00 0.00 H new ATOM 454 N GLN A 30 2.325 -18.208 -5.571 1.00 0.00 N ATOM 455 CA GLN A 30 1.077 -18.634 -6.191 1.00 0.00 C ATOM 456 C GLN A 30 0.804 -17.843 -7.466 1.00 0.00 C ATOM 457 O GLN A 30 0.294 -18.384 -8.447 1.00 0.00 O ATOM 458 CB GLN A 30 -0.087 -18.465 -5.213 1.00 0.00 C ATOM 459 CG GLN A 30 -0.457 -17.014 -4.953 1.00 0.00 C ATOM 460 CD GLN A 30 -1.613 -16.543 -5.813 1.00 0.00 C ATOM 461 OE1 GLN A 30 -1.985 -17.199 -6.787 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.189 -15.401 -5.458 1.00 0.00 N ATOM 0 H GLN A 30 2.232 -17.905 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 30 1.172 -19.688 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.959 -18.989 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.172 -18.940 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.718 -16.893 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.411 -16.382 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.849 -14.890 -4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.972 -15.035 -6.000 1.00 0.00 H new ATOM 471 N PHE A 31 1.146 -16.559 -7.444 1.00 0.00 N ATOM 472 CA PHE A 31 0.937 -15.692 -8.598 1.00 0.00 C ATOM 473 C PHE A 31 1.825 -16.116 -9.764 1.00 0.00 C ATOM 474 O PHE A 31 1.336 -16.425 -10.852 1.00 0.00 O ATOM 475 CB PHE A 31 1.223 -14.236 -8.227 1.00 0.00 C ATOM 476 CG PHE A 31 0.667 -13.246 -9.211 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.657 -12.845 -9.137 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.469 -12.717 -10.209 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.171 -11.935 -10.041 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.960 -11.806 -11.116 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.361 -11.414 -11.031 1.00 0.00 C ATOM 0 H PHE A 31 1.569 -16.096 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.105 -15.783 -8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.804 -14.031 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.301 -14.094 -8.151 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.295 -13.248 -8.364 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.503 -13.020 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.205 -11.631 -9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.595 -11.401 -11.890 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.760 -10.701 -11.737 1.00 0.00 H new ATOM 491 N LEU A 32 3.133 -16.126 -9.531 1.00 0.00 N ATOM 492 CA LEU A 32 4.091 -16.511 -10.561 1.00 0.00 C ATOM 493 C LEU A 32 3.884 -17.962 -10.983 1.00 0.00 C ATOM 494 O LEU A 32 4.188 -18.341 -12.114 1.00 0.00 O ATOM 495 CB LEU A 32 5.521 -16.314 -10.055 1.00 0.00 C ATOM 496 CG LEU A 32 5.836 -16.913 -8.684 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.259 -18.368 -8.822 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.919 -16.105 -7.985 1.00 0.00 C ATOM 0 H LEU A 32 3.554 -15.872 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 32 3.928 -15.873 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.206 -16.746 -10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.728 -15.244 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 32 4.932 -16.875 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.479 -18.778 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.452 -18.940 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.149 -18.430 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.130 -16.546 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.825 -16.111 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.578 -15.078 -7.852 1.00 0.00 H new ATOM 510 N LYS A 33 3.362 -18.770 -10.066 1.00 0.00 N ATOM 511 CA LYS A 33 3.111 -20.180 -10.342 1.00 0.00 C ATOM 512 C LYS A 33 2.173 -20.342 -11.535 1.00 0.00 C ATOM 513 O LYS A 33 2.301 -21.286 -12.315 1.00 0.00 O ATOM 514 CB LYS A 33 2.509 -20.862 -9.111 1.00 0.00 C ATOM 515 CG LYS A 33 1.243 -21.646 -9.408 1.00 0.00 C ATOM 516 CD LYS A 33 1.552 -22.963 -10.102 1.00 0.00 C ATOM 517 CE LYS A 33 0.322 -23.530 -10.795 1.00 0.00 C ATOM 518 NZ LYS A 33 0.348 -23.279 -12.263 1.00 0.00 N ATOM 0 H LYS A 33 3.104 -18.472 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 33 4.063 -20.653 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.250 -21.535 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.289 -20.105 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.708 -21.840 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.583 -21.048 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.346 -22.813 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.923 -23.682 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.263 -24.603 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.575 -23.083 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.558 -22.865 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.120 -22.620 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.500 -24.176 -12.766 1.00 0.00 H new ATOM 532 N THR A 34 1.232 -19.413 -11.672 1.00 0.00 N ATOM 533 CA THR A 34 0.273 -19.453 -12.769 1.00 0.00 C ATOM 534 C THR A 34 0.957 -19.185 -14.105 1.00 0.00 C ATOM 535 O THR A 34 0.478 -19.615 -15.156 1.00 0.00 O ATOM 536 CB THR A 34 -0.855 -18.424 -12.567 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.022 -18.829 -13.291 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.418 -17.043 -13.032 1.00 0.00 C ATOM 0 H THR A 34 1.114 -18.624 -11.037 1.00 0.00 H new ATOM 0 HA THR A 34 -0.157 -20.455 -12.778 1.00 0.00 H new ATOM 0 HB THR A 34 -1.086 -18.375 -11.503 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.735 -18.171 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.231 -16.333 -12.879 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.453 -16.725 -12.459 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.162 -17.080 -14.091 1.00 0.00 H new ATOM 546 N LEU A 35 2.077 -18.473 -14.059 1.00 0.00 N ATOM 547 CA LEU A 35 2.827 -18.148 -15.267 1.00 0.00 C ATOM 548 C LEU A 35 3.964 -19.141 -15.486 1.00 0.00 C ATOM 549 O LEU A 35 4.478 -19.279 -16.597 1.00 0.00 O ATOM 550 CB LEU A 35 3.387 -16.727 -15.177 1.00 0.00 C ATOM 551 CG LEU A 35 2.382 -15.632 -14.817 1.00 0.00 C ATOM 552 CD1 LEU A 35 3.039 -14.262 -14.884 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.174 -15.692 -15.741 1.00 0.00 C ATOM 0 H LEU A 35 2.486 -18.110 -13.198 1.00 0.00 H new ATOM 0 HA LEU A 35 2.146 -18.211 -16.115 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.185 -16.719 -14.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.841 -16.475 -16.136 1.00 0.00 H new ATOM 0 HG LEU A 35 2.041 -15.800 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.309 -13.495 -14.625 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.871 -14.223 -14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.408 -14.085 -15.894 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.469 -14.906 -15.470 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.497 -15.550 -16.772 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.689 -16.663 -15.643 1.00 0.00 H new ATOM 565 N THR A 36 4.352 -19.834 -14.420 1.00 0.00 N ATOM 566 CA THR A 36 5.426 -20.816 -14.495 1.00 0.00 C ATOM 567 C THR A 36 4.872 -22.234 -14.566 1.00 0.00 C ATOM 568 O THR A 36 5.536 -23.147 -15.055 1.00 0.00 O ATOM 569 CB THR A 36 6.372 -20.707 -13.284 1.00 0.00 C ATOM 570 OG1 THR A 36 5.726 -21.215 -12.111 1.00 0.00 O ATOM 571 CG2 THR A 36 6.792 -19.263 -13.053 1.00 0.00 C ATOM 0 H THR A 36 3.938 -19.733 -13.493 1.00 0.00 H new ATOM 0 HA THR A 36 5.986 -20.602 -15.405 1.00 0.00 H new ATOM 0 HB THR A 36 7.263 -21.299 -13.493 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.932 -20.637 -11.347 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.460 -19.211 -12.193 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.309 -18.889 -13.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.909 -18.653 -12.864 1.00 0.00 H new ATOM 579 N GLY A 37 3.649 -22.412 -14.076 1.00 0.00 N ATOM 580 CA GLY A 37 3.025 -23.722 -14.095 1.00 0.00 C ATOM 581 C GLY A 37 3.365 -24.543 -12.867 1.00 0.00 C ATOM 582 O GLY A 37 2.707 -25.543 -12.578 1.00 0.00 O ATOM 0 H GLY A 37 3.079 -21.672 -13.666 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.943 -23.605 -14.162 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.344 -24.260 -14.988 1.00 0.00 H new ATOM 586 N VAL A 38 4.396 -24.122 -12.142 1.00 0.00 N ATOM 587 CA VAL A 38 4.822 -24.826 -10.938 1.00 0.00 C ATOM 588 C VAL A 38 4.437 -24.051 -9.683 1.00 0.00 C ATOM 589 O VAL A 38 4.613 -22.834 -9.612 1.00 0.00 O ATOM 590 CB VAL A 38 6.345 -25.061 -10.935 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.089 -23.747 -11.121 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.774 -25.749 -9.648 1.00 0.00 C ATOM 0 H VAL A 38 4.952 -23.297 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 38 4.312 -25.789 -10.938 1.00 0.00 H new ATOM 0 HB VAL A 38 6.597 -25.714 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.163 -23.933 -11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.803 -23.298 -12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.835 -23.067 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.852 -25.908 -9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.510 -25.123 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.267 -26.710 -9.563 1.00 0.00 H new ATOM 602 N LEU A 39 3.910 -24.764 -8.693 1.00 0.00 N ATOM 603 CA LEU A 39 3.499 -24.144 -7.438 1.00 0.00 C ATOM 604 C LEU A 39 4.590 -24.280 -6.381 1.00 0.00 C ATOM 605 O LEU A 39 5.483 -25.122 -6.479 1.00 0.00 O ATOM 606 CB LEU A 39 2.202 -24.779 -6.934 1.00 0.00 C ATOM 607 CG LEU A 39 2.025 -26.268 -7.230 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.671 -26.483 -8.693 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.285 -27.039 -6.865 1.00 0.00 C ATOM 0 H LEU A 39 3.757 -25.772 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 39 3.329 -23.083 -7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.145 -24.634 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.362 -24.240 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 39 1.204 -26.644 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.549 -27.549 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.740 -25.964 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.470 -26.090 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.140 -28.097 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.125 -26.660 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.494 -26.912 -5.803 1.00 0.00 H new ATOM 621 N PRO A 40 4.517 -23.433 -5.343 1.00 0.00 N ATOM 622 CA PRO A 40 5.489 -23.441 -4.245 1.00 0.00 C ATOM 623 C PRO A 40 5.363 -24.682 -3.368 1.00 0.00 C ATOM 624 O PRO A 40 6.325 -25.097 -2.723 1.00 0.00 O ATOM 625 CB PRO A 40 5.133 -22.184 -3.448 1.00 0.00 C ATOM 626 CG PRO A 40 3.694 -21.941 -3.746 1.00 0.00 C ATOM 627 CD PRO A 40 3.480 -22.404 -5.161 1.00 0.00 C ATOM 0 HA PRO A 40 6.516 -23.455 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.297 -22.333 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.748 -21.336 -3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.054 -22.490 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.446 -20.885 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.479 -22.812 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.595 -21.587 -5.873 1.00 0.00 H new ATOM 635 N GLU A 41 4.171 -25.270 -3.350 1.00 0.00 N ATOM 636 CA GLU A 41 3.921 -26.464 -2.551 1.00 0.00 C ATOM 637 C GLU A 41 4.814 -27.616 -3.001 1.00 0.00 C ATOM 638 O GLU A 41 5.002 -28.591 -2.272 1.00 0.00 O ATOM 639 CB GLU A 41 2.450 -26.874 -2.653 1.00 0.00 C ATOM 640 CG GLU A 41 2.027 -27.279 -4.055 1.00 0.00 C ATOM 641 CD GLU A 41 0.689 -27.993 -4.077 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.334 -27.346 -3.771 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.667 -29.199 -4.401 1.00 0.00 O ATOM 0 H GLU A 41 3.364 -24.939 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 41 4.154 -26.231 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.265 -27.705 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.826 -26.044 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.971 -26.391 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.788 -27.928 -4.487 1.00 0.00 H new ATOM 650 N ARG A 42 5.361 -27.498 -4.206 1.00 0.00 N ATOM 651 CA ARG A 42 6.232 -28.530 -4.755 1.00 0.00 C ATOM 652 C ARG A 42 7.696 -28.108 -4.670 1.00 0.00 C ATOM 653 O ARG A 42 8.567 -28.917 -4.354 1.00 0.00 O ATOM 654 CB ARG A 42 5.858 -28.823 -6.209 1.00 0.00 C ATOM 655 CG ARG A 42 4.737 -29.839 -6.357 1.00 0.00 C ATOM 656 CD ARG A 42 5.272 -31.262 -6.368 1.00 0.00 C ATOM 657 NE ARG A 42 4.197 -32.251 -6.356 1.00 0.00 N ATOM 658 CZ ARG A 42 4.392 -33.545 -6.128 1.00 0.00 C ATOM 659 NH1 ARG A 42 5.613 -34.004 -5.893 1.00 0.00 N ATOM 660 NH2 ARG A 42 3.363 -34.383 -6.133 1.00 0.00 N ATOM 0 H ARG A 42 5.216 -26.697 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 42 6.098 -29.435 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.560 -27.893 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.740 -29.188 -6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.028 -29.722 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.191 -29.648 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.891 -31.410 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.915 -31.414 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 42 3.245 -31.930 -6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.406 -33.363 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.759 -34.998 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.422 -34.034 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.514 -35.377 -5.958 1.00 0.00 H new ATOM 674 N GLN A 43 7.957 -26.836 -4.955 1.00 0.00 N ATOM 675 CA GLN A 43 9.315 -26.307 -4.912 1.00 0.00 C ATOM 676 C GLN A 43 9.355 -24.971 -4.178 1.00 0.00 C ATOM 677 O GLN A 43 8.318 -24.423 -3.806 1.00 0.00 O ATOM 678 CB GLN A 43 9.865 -26.141 -6.330 1.00 0.00 C ATOM 679 CG GLN A 43 8.810 -25.741 -7.349 1.00 0.00 C ATOM 680 CD GLN A 43 9.266 -24.607 -8.246 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.539 -24.808 -9.429 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.350 -23.406 -7.686 1.00 0.00 N ATOM 0 H GLN A 43 7.246 -26.153 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 43 9.939 -27.018 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.652 -25.387 -6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.325 -27.078 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.557 -26.605 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.901 -25.443 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.114 -23.285 -6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.651 -22.605 -8.241 1.00 0.00 H new ATOM 691 N LYS A 44 10.561 -24.451 -3.972 1.00 0.00 N ATOM 692 CA LYS A 44 10.738 -23.178 -3.283 1.00 0.00 C ATOM 693 C LYS A 44 11.680 -22.265 -4.062 1.00 0.00 C ATOM 694 O LYS A 44 12.529 -22.733 -4.821 1.00 0.00 O ATOM 695 CB LYS A 44 11.286 -23.410 -1.873 1.00 0.00 C ATOM 696 CG LYS A 44 12.565 -24.227 -1.844 1.00 0.00 C ATOM 697 CD LYS A 44 12.378 -25.529 -1.084 1.00 0.00 C ATOM 698 CE LYS A 44 12.045 -26.680 -2.021 1.00 0.00 C ATOM 699 NZ LYS A 44 12.147 -27.999 -1.338 1.00 0.00 N ATOM 0 H LYS A 44 11.430 -24.892 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 44 9.765 -22.692 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.471 -22.445 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.528 -23.917 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.883 -24.443 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.360 -23.644 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.287 -25.761 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.579 -25.412 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.035 -26.550 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.722 -26.660 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.913 -28.757 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.117 -28.135 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.483 -28.028 -0.538 1.00 0.00 H new ATOM 713 N LEU A 45 11.525 -20.960 -3.868 1.00 0.00 N ATOM 714 CA LEU A 45 12.363 -19.980 -4.551 1.00 0.00 C ATOM 715 C LEU A 45 13.717 -19.846 -3.861 1.00 0.00 C ATOM 716 O LEU A 45 13.797 -19.787 -2.633 1.00 0.00 O ATOM 717 CB LEU A 45 11.662 -18.621 -4.592 1.00 0.00 C ATOM 718 CG LEU A 45 10.794 -18.351 -5.822 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.624 -18.446 -7.093 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.624 -19.323 -5.872 1.00 0.00 C ATOM 0 H LEU A 45 10.827 -20.556 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 45 12.529 -20.328 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.037 -18.530 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.421 -17.841 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 45 10.397 -17.339 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.989 -18.251 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.427 -17.710 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.051 -19.445 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.017 -19.117 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.001 -20.344 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.015 -19.205 -4.976 1.00 0.00 H new ATOM 732 N LEU A 46 14.779 -19.797 -4.658 1.00 0.00 N ATOM 733 CA LEU A 46 16.130 -19.667 -4.125 1.00 0.00 C ATOM 734 C LEU A 46 16.214 -18.518 -3.126 1.00 0.00 C ATOM 735 O LEU A 46 16.031 -17.355 -3.485 1.00 0.00 O ATOM 736 CB LEU A 46 17.129 -19.443 -5.262 1.00 0.00 C ATOM 737 CG LEU A 46 18.185 -20.533 -5.452 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.110 -20.184 -6.608 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.981 -20.733 -4.171 1.00 0.00 C ATOM 0 H LEU A 46 14.730 -19.845 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 46 16.380 -20.593 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.572 -19.339 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.640 -18.496 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 46 17.677 -21.467 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.855 -20.971 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.528 -20.092 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.611 -19.239 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.728 -21.512 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.479 -19.801 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.308 -21.029 -3.367 1.00 0.00 H new ATOM 751 N GLY A 47 16.493 -18.851 -1.869 1.00 0.00 N ATOM 752 CA GLY A 47 16.598 -17.835 -0.838 1.00 0.00 C ATOM 753 C GLY A 47 17.254 -18.357 0.425 1.00 0.00 C ATOM 754 O GLY A 47 18.437 -18.700 0.423 1.00 0.00 O ATOM 0 H GLY A 47 16.648 -19.806 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.173 -16.992 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.603 -17.460 -0.599 1.00 0.00 H new ATOM 758 N LEU A 48 16.486 -18.417 1.507 1.00 0.00 N ATOM 759 CA LEU A 48 17.000 -18.899 2.784 1.00 0.00 C ATOM 760 C LEU A 48 15.932 -19.683 3.540 1.00 0.00 C ATOM 761 O LEU A 48 14.745 -19.600 3.224 1.00 0.00 O ATOM 762 CB LEU A 48 17.487 -17.726 3.637 1.00 0.00 C ATOM 763 CG LEU A 48 18.564 -18.050 4.672 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.806 -18.606 3.994 1.00 0.00 C ATOM 765 CD2 LEU A 48 18.909 -16.812 5.488 1.00 0.00 C ATOM 0 H LEU A 48 15.505 -18.138 1.526 1.00 0.00 H new ATOM 0 HA LEU A 48 17.839 -19.565 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.872 -16.954 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.629 -17.300 4.157 1.00 0.00 H new ATOM 0 HG LEU A 48 18.173 -18.810 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.562 -18.831 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.549 -19.518 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.199 -17.869 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.677 -17.061 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.280 -16.031 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.017 -16.457 6.005 1.00 0.00 H new ATOM 777 N LYS A 49 16.362 -20.443 4.542 1.00 0.00 N ATOM 778 CA LYS A 49 15.443 -21.240 5.347 1.00 0.00 C ATOM 779 C LYS A 49 15.307 -20.660 6.751 1.00 0.00 C ATOM 780 O LYS A 49 16.303 -20.346 7.403 1.00 0.00 O ATOM 781 CB LYS A 49 15.928 -22.689 5.426 1.00 0.00 C ATOM 782 CG LYS A 49 16.502 -23.211 4.121 1.00 0.00 C ATOM 783 CD LYS A 49 16.416 -24.726 4.039 1.00 0.00 C ATOM 784 CE LYS A 49 17.722 -25.383 4.459 1.00 0.00 C ATOM 785 NZ LYS A 49 17.898 -25.373 5.937 1.00 0.00 N ATOM 0 H LYS A 49 17.341 -20.524 4.816 1.00 0.00 H new ATOM 0 HA LYS A 49 14.464 -21.217 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.687 -22.767 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.096 -23.326 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.963 -22.769 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.543 -22.899 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.607 -25.081 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.170 -25.023 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.744 -26.411 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.557 -24.863 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.686 -26.000 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.106 -24.405 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.025 -25.707 6.393 1.00 0.00 H new ATOM 799 N VAL A 50 14.068 -20.523 7.212 1.00 0.00 N ATOM 800 CA VAL A 50 13.801 -19.984 8.540 1.00 0.00 C ATOM 801 C VAL A 50 13.248 -21.059 9.469 1.00 0.00 C ATOM 802 O VAL A 50 12.393 -21.854 9.077 1.00 0.00 O ATOM 803 CB VAL A 50 12.806 -18.810 8.480 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.433 -19.296 8.040 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.726 -18.111 9.829 1.00 0.00 C ATOM 0 H VAL A 50 13.233 -20.778 6.685 1.00 0.00 H new ATOM 0 HA VAL A 50 14.752 -19.624 8.932 1.00 0.00 H new ATOM 0 HB VAL A 50 13.163 -18.090 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.743 -18.453 8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.507 -19.748 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.064 -20.036 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.019 -17.284 9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.392 -18.820 10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.710 -17.728 10.099 1.00 0.00 H new ATOM 815 N LYS A 51 13.740 -21.077 10.703 1.00 0.00 N ATOM 816 CA LYS A 51 13.295 -22.053 11.690 1.00 0.00 C ATOM 817 C LYS A 51 13.601 -23.474 11.227 1.00 0.00 C ATOM 818 O LYS A 51 13.020 -24.438 11.724 1.00 0.00 O ATOM 819 CB LYS A 51 11.794 -21.901 11.946 1.00 0.00 C ATOM 820 CG LYS A 51 11.379 -20.487 12.311 1.00 0.00 C ATOM 821 CD LYS A 51 11.889 -20.094 13.688 1.00 0.00 C ATOM 822 CE LYS A 51 11.052 -20.723 14.792 1.00 0.00 C ATOM 823 NZ LYS A 51 11.894 -21.195 15.926 1.00 0.00 N ATOM 0 H LYS A 51 14.448 -20.426 11.043 1.00 0.00 H new ATOM 0 HA LYS A 51 13.837 -21.868 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.249 -22.212 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.501 -22.576 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.764 -19.790 11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.292 -20.409 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.928 -20.406 13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.870 -19.009 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.326 -19.996 15.157 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.486 -21.562 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.287 -21.617 16.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.570 -21.908 15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.414 -20.390 16.330 1.00 0.00 H new ATOM 837 N GLY A 52 14.519 -23.596 10.273 1.00 0.00 N ATOM 838 CA GLY A 52 14.888 -24.903 9.761 1.00 0.00 C ATOM 839 C GLY A 52 13.999 -25.349 8.616 1.00 0.00 C ATOM 840 O GLY A 52 14.208 -26.415 8.037 1.00 0.00 O ATOM 0 H GLY A 52 15.014 -22.813 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.924 -24.879 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.832 -25.635 10.567 1.00 0.00 H new ATOM 844 N LYS A 53 13.004 -24.532 8.290 1.00 0.00 N ATOM 845 CA LYS A 53 12.079 -24.846 7.207 1.00 0.00 C ATOM 846 C LYS A 53 12.423 -24.053 5.950 1.00 0.00 C ATOM 847 O LYS A 53 12.858 -22.903 6.012 1.00 0.00 O ATOM 848 CB LYS A 53 10.640 -24.546 7.634 1.00 0.00 C ATOM 849 CG LYS A 53 10.087 -25.536 8.645 1.00 0.00 C ATOM 850 CD LYS A 53 9.036 -26.440 8.022 1.00 0.00 C ATOM 851 CE LYS A 53 8.583 -27.519 8.994 1.00 0.00 C ATOM 852 NZ LYS A 53 7.727 -28.540 8.328 1.00 0.00 N ATOM 0 H LYS A 53 12.817 -23.647 8.760 1.00 0.00 H new ATOM 0 HA LYS A 53 12.171 -25.908 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.598 -23.543 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.001 -24.545 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.900 -26.143 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.651 -24.995 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.178 -25.843 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.441 -26.905 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.456 -28.005 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.030 -27.061 9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.439 -29.258 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.881 -28.080 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.263 -28.996 7.562 1.00 0.00 H new ATOM 866 N PRO A 54 12.223 -24.680 4.781 1.00 0.00 N ATOM 867 CA PRO A 54 12.504 -24.050 3.488 1.00 0.00 C ATOM 868 C PRO A 54 11.525 -22.926 3.165 1.00 0.00 C ATOM 869 O PRO A 54 10.753 -23.017 2.211 1.00 0.00 O ATOM 870 CB PRO A 54 12.344 -25.201 2.491 1.00 0.00 C ATOM 871 CG PRO A 54 11.417 -26.156 3.160 1.00 0.00 C ATOM 872 CD PRO A 54 11.706 -26.050 4.632 1.00 0.00 C ATOM 0 HA PRO A 54 13.489 -23.583 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.935 -24.850 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.303 -25.669 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.378 -25.905 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.579 -27.173 2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.808 -26.208 5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.437 -26.792 4.952 1.00 0.00 H new ATOM 880 N ALA A 55 11.563 -21.866 3.966 1.00 0.00 N ATOM 881 CA ALA A 55 10.681 -20.724 3.764 1.00 0.00 C ATOM 882 C ALA A 55 9.233 -21.171 3.599 1.00 0.00 C ATOM 883 O ALA A 55 8.735 -21.292 2.480 1.00 0.00 O ATOM 884 CB ALA A 55 11.129 -19.919 2.553 1.00 0.00 C ATOM 0 H ALA A 55 12.196 -21.775 4.761 1.00 0.00 H new ATOM 0 HA ALA A 55 10.739 -20.090 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.461 -19.069 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.146 -19.560 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.101 -20.551 1.665 1.00 0.00 H new ATOM 890 N GLU A 56 8.562 -21.415 4.720 1.00 0.00 N ATOM 891 CA GLU A 56 7.170 -21.851 4.697 1.00 0.00 C ATOM 892 C GLU A 56 6.326 -20.929 3.822 1.00 0.00 C ATOM 893 O GLU A 56 6.691 -19.779 3.581 1.00 0.00 O ATOM 894 CB GLU A 56 6.601 -21.887 6.117 1.00 0.00 C ATOM 895 CG GLU A 56 5.574 -22.986 6.333 1.00 0.00 C ATOM 896 CD GLU A 56 5.797 -23.746 7.626 1.00 0.00 C ATOM 897 OE1 GLU A 56 5.795 -23.108 8.699 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.973 -24.981 7.564 1.00 0.00 O ATOM 0 H GLU A 56 8.959 -21.318 5.655 1.00 0.00 H new ATOM 0 HA GLU A 56 7.137 -22.855 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.419 -22.022 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.142 -20.924 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.576 -22.549 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.611 -23.683 5.495 1.00 0.00 H new ATOM 905 N ASN A 57 5.196 -21.443 3.349 1.00 0.00 N ATOM 906 CA ASN A 57 4.299 -20.667 2.499 1.00 0.00 C ATOM 907 C ASN A 57 3.844 -19.395 3.208 1.00 0.00 C ATOM 908 O ASN A 57 3.535 -18.392 2.565 1.00 0.00 O ATOM 909 CB ASN A 57 3.083 -21.507 2.104 1.00 0.00 C ATOM 910 CG ASN A 57 3.265 -22.194 0.764 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.673 -21.429 -0.242 1.00 0.00 O flip ATOM 912 ND2 ASN A 57 3.041 -23.397 0.635 1.00 0.00 N flip ATOM 0 H ASN A 57 4.879 -22.394 3.539 1.00 0.00 H new ATOM 0 HA ASN A 57 4.845 -20.385 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.899 -22.258 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.201 -20.868 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.729 -23.946 1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.167 -23.845 -0.273 1.00 0.00 H new ATOM 919 N ASP A 58 3.807 -19.445 4.535 1.00 0.00 N ATOM 920 CA ASP A 58 3.391 -18.296 5.331 1.00 0.00 C ATOM 921 C ASP A 58 4.547 -17.318 5.518 1.00 0.00 C ATOM 922 O ASP A 58 4.351 -16.187 5.963 1.00 0.00 O ATOM 923 CB ASP A 58 2.869 -18.755 6.693 1.00 0.00 C ATOM 924 CG ASP A 58 1.743 -19.762 6.572 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.683 -19.403 6.019 1.00 0.00 O ATOM 926 OD2 ASP A 58 1.921 -20.910 7.032 1.00 0.00 O ATOM 0 H ASP A 58 4.060 -20.268 5.082 1.00 0.00 H new ATOM 0 HA ASP A 58 2.590 -17.785 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.687 -19.196 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.519 -17.889 7.255 1.00 0.00 H new ATOM 931 N VAL A 59 5.753 -17.762 5.178 1.00 0.00 N ATOM 932 CA VAL A 59 6.940 -16.927 5.309 1.00 0.00 C ATOM 933 C VAL A 59 6.950 -15.818 4.263 1.00 0.00 C ATOM 934 O VAL A 59 6.687 -16.058 3.084 1.00 0.00 O ATOM 935 CB VAL A 59 8.229 -17.758 5.171 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.454 -16.857 5.216 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.298 -18.818 6.260 1.00 0.00 C ATOM 0 H VAL A 59 5.933 -18.696 4.810 1.00 0.00 H new ATOM 0 HA VAL A 59 6.907 -16.484 6.304 1.00 0.00 H new ATOM 0 HB VAL A 59 8.213 -18.262 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.355 -17.463 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.408 -16.139 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.478 -16.323 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.215 -19.396 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.290 -18.336 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.438 -19.482 6.176 1.00 0.00 H new ATOM 947 N LYS A 60 7.256 -14.601 4.701 1.00 0.00 N ATOM 948 CA LYS A 60 7.302 -13.453 3.803 1.00 0.00 C ATOM 949 C LYS A 60 8.469 -13.572 2.828 1.00 0.00 C ATOM 950 O LYS A 60 9.416 -14.323 3.065 1.00 0.00 O ATOM 951 CB LYS A 60 7.425 -12.156 4.606 1.00 0.00 C ATOM 952 CG LYS A 60 6.731 -12.209 5.956 1.00 0.00 C ATOM 953 CD LYS A 60 6.083 -10.879 6.302 1.00 0.00 C ATOM 954 CE LYS A 60 4.589 -11.033 6.543 1.00 0.00 C ATOM 955 NZ LYS A 60 4.298 -11.569 7.902 1.00 0.00 N ATOM 0 H LYS A 60 7.476 -14.384 5.673 1.00 0.00 H new ATOM 0 HA LYS A 60 6.374 -13.433 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.481 -11.931 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.005 -11.336 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.973 -12.992 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.454 -12.474 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.555 -10.464 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.251 -10.170 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.100 -10.066 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.167 -11.700 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.269 -11.659 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.743 -12.503 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.678 -10.920 8.620 1.00 0.00 H new ATOM 969 N LEU A 61 8.395 -12.826 1.731 1.00 0.00 N ATOM 970 CA LEU A 61 9.447 -12.847 0.720 1.00 0.00 C ATOM 971 C LEU A 61 10.704 -12.148 1.227 1.00 0.00 C ATOM 972 O LEU A 61 11.741 -12.779 1.424 1.00 0.00 O ATOM 973 CB LEU A 61 8.959 -12.174 -0.565 1.00 0.00 C ATOM 974 CG LEU A 61 7.855 -12.907 -1.329 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.210 -14.376 -1.500 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.521 -12.759 -0.611 1.00 0.00 C ATOM 0 H LEU A 61 7.618 -12.200 1.519 1.00 0.00 H new ATOM 0 HA LEU A 61 9.693 -13.888 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.599 -11.176 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.812 -12.047 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 61 7.764 -12.458 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.413 -14.882 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.143 -14.462 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.329 -14.838 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.747 -13.287 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.598 -13.181 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.261 -11.703 -0.540 1.00 0.00 H new ATOM 988 N GLY A 62 10.603 -10.839 1.439 1.00 0.00 N ATOM 989 CA GLY A 62 11.738 -10.076 1.924 1.00 0.00 C ATOM 990 C GLY A 62 12.311 -10.642 3.208 1.00 0.00 C ATOM 991 O GLY A 62 13.404 -10.263 3.628 1.00 0.00 O ATOM 0 H GLY A 62 9.755 -10.294 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.515 -10.060 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.433 -9.043 2.090 1.00 0.00 H new ATOM 995 N ALA A 63 11.571 -11.551 3.834 1.00 0.00 N ATOM 996 CA ALA A 63 12.012 -12.170 5.078 1.00 0.00 C ATOM 997 C ALA A 63 13.322 -12.924 4.881 1.00 0.00 C ATOM 998 O ALA A 63 14.331 -12.613 5.515 1.00 0.00 O ATOM 999 CB ALA A 63 10.937 -13.106 5.612 1.00 0.00 C ATOM 0 H ALA A 63 10.663 -11.875 3.500 1.00 0.00 H new ATOM 0 HA ALA A 63 12.184 -11.379 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.280 -13.561 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.024 -12.542 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.737 -13.886 4.878 1.00 0.00 H new ATOM 1005 N LEU A 64 13.301 -13.918 3.999 1.00 0.00 N ATOM 1006 CA LEU A 64 14.488 -14.718 3.719 1.00 0.00 C ATOM 1007 C LEU A 64 14.811 -14.709 2.228 1.00 0.00 C ATOM 1008 O LEU A 64 15.977 -14.723 1.834 1.00 0.00 O ATOM 1009 CB LEU A 64 14.284 -16.155 4.200 1.00 0.00 C ATOM 1010 CG LEU A 64 12.834 -16.590 4.418 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.103 -16.698 3.088 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.782 -17.914 5.166 1.00 0.00 C ATOM 0 H LEU A 64 12.475 -14.189 3.466 1.00 0.00 H new ATOM 0 HA LEU A 64 15.328 -14.278 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.739 -16.828 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.826 -16.284 5.137 1.00 0.00 H new ATOM 0 HG LEU A 64 12.335 -15.833 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.073 -17.009 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.110 -15.729 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.602 -17.434 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.743 -18.209 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.298 -18.680 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.268 -17.804 6.135 1.00 0.00 H new ATOM 1024 N LYS A 65 13.770 -14.683 1.403 1.00 0.00 N ATOM 1025 CA LYS A 65 13.941 -14.669 -0.045 1.00 0.00 C ATOM 1026 C LYS A 65 14.952 -13.606 -0.463 1.00 0.00 C ATOM 1027 O LYS A 65 16.138 -13.895 -0.631 1.00 0.00 O ATOM 1028 CB LYS A 65 12.600 -14.411 -0.736 1.00 0.00 C ATOM 1029 CG LYS A 65 11.533 -15.438 -0.396 1.00 0.00 C ATOM 1030 CD LYS A 65 11.854 -16.795 -0.999 1.00 0.00 C ATOM 1031 CE LYS A 65 11.898 -17.882 0.064 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.556 -19.219 -0.495 1.00 0.00 N ATOM 0 H LYS A 65 12.798 -14.671 1.713 1.00 0.00 H new ATOM 0 HA LYS A 65 14.318 -15.645 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.241 -13.420 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.753 -14.402 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.448 -15.531 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.566 -15.095 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.104 -17.048 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.814 -16.748 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.894 -17.917 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.202 -17.635 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.199 -19.935 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.576 -19.459 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.654 -19.198 -1.530 1.00 0.00 H new ATOM 1046 N LEU A 66 14.477 -12.377 -0.628 1.00 0.00 N ATOM 1047 CA LEU A 66 15.341 -11.270 -1.025 1.00 0.00 C ATOM 1048 C LEU A 66 14.529 -9.996 -1.241 1.00 0.00 C ATOM 1049 O LEU A 66 13.335 -9.951 -0.947 1.00 0.00 O ATOM 1050 CB LEU A 66 16.104 -11.625 -2.302 1.00 0.00 C ATOM 1051 CG LEU A 66 15.322 -12.413 -3.354 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.193 -11.568 -3.924 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.249 -12.886 -4.464 1.00 0.00 C ATOM 0 H LEU A 66 13.499 -12.121 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 66 16.055 -11.092 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.458 -10.701 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.986 -12.203 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 66 14.886 -13.289 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.648 -12.145 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.514 -11.279 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.607 -10.673 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.676 -13.445 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.714 -12.024 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.022 -13.529 -4.043 1.00 0.00 H new ATOM 1065 N LYS A 67 15.185 -8.964 -1.759 1.00 0.00 N ATOM 1066 CA LYS A 67 14.525 -7.690 -2.019 1.00 0.00 C ATOM 1067 C LYS A 67 13.434 -7.847 -3.073 1.00 0.00 C ATOM 1068 O LYS A 67 13.358 -8.855 -3.777 1.00 0.00 O ATOM 1069 CB LYS A 67 15.547 -6.647 -2.479 1.00 0.00 C ATOM 1070 CG LYS A 67 15.952 -5.670 -1.390 1.00 0.00 C ATOM 1071 CD LYS A 67 16.701 -4.477 -1.960 1.00 0.00 C ATOM 1072 CE LYS A 67 18.017 -4.898 -2.596 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.910 -5.582 -1.620 1.00 0.00 N ATOM 0 H LYS A 67 16.174 -8.985 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 67 14.063 -7.353 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.437 -7.159 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.132 -6.090 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.064 -5.324 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.580 -6.179 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.080 -3.977 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.893 -3.754 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.818 -5.564 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.523 -4.021 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.872 -5.641 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.931 -5.043 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.552 -6.541 -1.435 1.00 0.00 H new ATOM 1087 N PRO A 68 12.569 -6.829 -3.187 1.00 0.00 N ATOM 1088 CA PRO A 68 11.467 -6.830 -4.154 1.00 0.00 C ATOM 1089 C PRO A 68 11.958 -6.702 -5.592 1.00 0.00 C ATOM 1090 O PRO A 68 11.743 -7.593 -6.413 1.00 0.00 O ATOM 1091 CB PRO A 68 10.646 -5.601 -3.758 1.00 0.00 C ATOM 1092 CG PRO A 68 11.618 -4.698 -3.081 1.00 0.00 C ATOM 1093 CD PRO A 68 12.599 -5.597 -2.381 1.00 0.00 C ATOM 0 HA PRO A 68 10.903 -7.762 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.203 -5.122 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.826 -5.870 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.123 -4.056 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.113 -4.043 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.597 -5.159 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.305 -5.785 -1.348 1.00 0.00 H new ATOM 1101 N ASN A 69 12.620 -5.589 -5.890 1.00 0.00 N ATOM 1102 CA ASN A 69 13.142 -5.345 -7.230 1.00 0.00 C ATOM 1103 C ASN A 69 14.077 -6.471 -7.663 1.00 0.00 C ATOM 1104 O ASN A 69 14.299 -6.684 -8.855 1.00 0.00 O ATOM 1105 CB ASN A 69 13.882 -4.007 -7.276 1.00 0.00 C ATOM 1106 CG ASN A 69 14.850 -3.841 -6.120 1.00 0.00 C ATOM 1107 OD1 ASN A 69 15.836 -4.570 -6.013 1.00 0.00 O ATOM 1108 ND2 ASN A 69 14.572 -2.879 -5.249 1.00 0.00 N ATOM 0 H ASN A 69 12.808 -4.842 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 69 12.299 -5.310 -7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.427 -3.929 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.157 -3.193 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.187 -2.720 -4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.743 -2.299 -5.378 1.00 0.00 H new ATOM 1115 N THR A 70 14.621 -7.189 -6.686 1.00 0.00 N ATOM 1116 CA THR A 70 15.532 -8.292 -6.965 1.00 0.00 C ATOM 1117 C THR A 70 14.782 -9.497 -7.520 1.00 0.00 C ATOM 1118 O THR A 70 13.635 -9.752 -7.152 1.00 0.00 O ATOM 1119 CB THR A 70 16.301 -8.719 -5.700 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.103 -7.632 -5.225 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.187 -9.922 -5.986 1.00 0.00 C ATOM 0 H THR A 70 14.447 -7.026 -5.694 1.00 0.00 H new ATOM 0 HA THR A 70 16.243 -7.934 -7.710 1.00 0.00 H new ATOM 0 HB THR A 70 15.575 -8.996 -4.936 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.705 -7.953 -4.521 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.720 -10.205 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.571 -10.757 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.906 -9.667 -6.765 1.00 0.00 H new ATOM 1129 N LYS A 71 15.436 -10.238 -8.409 1.00 0.00 N ATOM 1130 CA LYS A 71 14.832 -11.419 -9.015 1.00 0.00 C ATOM 1131 C LYS A 71 15.231 -12.682 -8.259 1.00 0.00 C ATOM 1132 O LYS A 71 16.332 -12.769 -7.714 1.00 0.00 O ATOM 1133 CB LYS A 71 15.251 -11.535 -10.482 1.00 0.00 C ATOM 1134 CG LYS A 71 16.756 -11.584 -10.683 1.00 0.00 C ATOM 1135 CD LYS A 71 17.322 -10.209 -10.994 1.00 0.00 C ATOM 1136 CE LYS A 71 17.448 -9.984 -12.493 1.00 0.00 C ATOM 1137 NZ LYS A 71 17.857 -8.588 -12.812 1.00 0.00 N ATOM 0 H LYS A 71 16.385 -10.041 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 71 13.749 -11.312 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.807 -12.435 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.847 -10.687 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.231 -11.979 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.993 -12.269 -11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.677 -9.443 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.300 -10.103 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.179 -10.680 -12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.495 -10.202 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.932 -8.475 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.146 -7.925 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.779 -8.388 -12.374 1.00 0.00 H new ATOM 1151 N ILE A 72 14.331 -13.659 -8.232 1.00 0.00 N ATOM 1152 CA ILE A 72 14.591 -14.918 -7.546 1.00 0.00 C ATOM 1153 C ILE A 72 14.624 -16.083 -8.529 1.00 0.00 C ATOM 1154 O ILE A 72 14.037 -16.015 -9.608 1.00 0.00 O ATOM 1155 CB ILE A 72 13.529 -15.201 -6.467 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.512 -14.060 -6.409 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.191 -15.397 -5.111 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.488 -14.218 -5.307 1.00 0.00 C ATOM 0 H ILE A 72 13.415 -13.603 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 72 15.566 -14.821 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 72 13.002 -16.119 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.042 -13.118 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.996 -13.995 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.428 -15.596 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.880 -16.240 -5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.740 -14.495 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.800 -13.373 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.931 -15.143 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.994 -14.252 -4.342 1.00 0.00 H new ATOM 1170 N MET A 73 15.314 -17.153 -8.147 1.00 0.00 N ATOM 1171 CA MET A 73 15.421 -18.336 -8.994 1.00 0.00 C ATOM 1172 C MET A 73 14.444 -19.417 -8.544 1.00 0.00 C ATOM 1173 O MET A 73 14.230 -19.615 -7.348 1.00 0.00 O ATOM 1174 CB MET A 73 16.850 -18.881 -8.967 1.00 0.00 C ATOM 1175 CG MET A 73 17.712 -18.382 -10.116 1.00 0.00 C ATOM 1176 SD MET A 73 19.198 -19.376 -10.352 1.00 0.00 S ATOM 1177 CE MET A 73 20.427 -18.095 -10.589 1.00 0.00 C ATOM 0 H MET A 73 15.807 -17.225 -7.257 1.00 0.00 H new ATOM 0 HA MET A 73 15.170 -18.046 -10.014 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.319 -18.602 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.816 -19.970 -8.996 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.125 -18.389 -11.035 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.998 -17.347 -9.928 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.403 -18.553 -10.748 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.162 -17.493 -11.458 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.464 -17.458 -9.705 1.00 0.00 H new ATOM 1187 N MET A 74 13.853 -20.114 -9.509 1.00 0.00 N ATOM 1188 CA MET A 74 12.899 -21.175 -9.211 1.00 0.00 C ATOM 1189 C MET A 74 13.542 -22.548 -9.384 1.00 0.00 C ATOM 1190 O MET A 74 13.948 -22.919 -10.485 1.00 0.00 O ATOM 1191 CB MET A 74 11.671 -21.056 -10.116 1.00 0.00 C ATOM 1192 CG MET A 74 10.598 -20.131 -9.567 1.00 0.00 C ATOM 1193 SD MET A 74 9.065 -20.206 -10.512 1.00 0.00 S ATOM 1194 CE MET A 74 7.975 -20.992 -9.328 1.00 0.00 C ATOM 0 H MET A 74 14.018 -19.963 -10.504 1.00 0.00 H new ATOM 0 HA MET A 74 12.587 -21.068 -8.172 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.985 -20.694 -11.095 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.243 -22.047 -10.265 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.394 -20.394 -8.529 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.971 -19.107 -9.569 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.940 -20.751 -9.571 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.115 -22.072 -9.366 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.206 -20.631 -8.326 1.00 0.00 H new ATOM 1204 N MET A 75 13.630 -23.297 -8.290 1.00 0.00 N ATOM 1205 CA MET A 75 14.223 -24.629 -8.322 1.00 0.00 C ATOM 1206 C MET A 75 13.172 -25.699 -8.042 1.00 0.00 C ATOM 1207 O MET A 75 12.656 -25.800 -6.930 1.00 0.00 O ATOM 1208 CB MET A 75 15.356 -24.731 -7.299 1.00 0.00 C ATOM 1209 CG MET A 75 16.339 -23.574 -7.364 1.00 0.00 C ATOM 1210 SD MET A 75 18.034 -24.082 -7.019 1.00 0.00 S ATOM 1211 CE MET A 75 17.807 -25.014 -5.507 1.00 0.00 C ATOM 0 H MET A 75 13.298 -23.005 -7.371 1.00 0.00 H new ATOM 0 HA MET A 75 14.628 -24.795 -9.320 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.927 -24.777 -6.298 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.895 -25.665 -7.458 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.294 -23.120 -8.354 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.041 -22.808 -6.648 1.00 0.00 H new ATOM 0 HE1 MET A 75 18.762 -25.106 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.094 -24.497 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 75 17.426 -26.007 -5.745 1.00 0.00 H new ATOM 1221 N GLY A 76 12.858 -26.495 -9.060 1.00 0.00 N ATOM 1222 CA GLY A 76 11.870 -27.546 -8.902 1.00 0.00 C ATOM 1223 C GLY A 76 11.291 -28.000 -10.227 1.00 0.00 C ATOM 1224 O GLY A 76 11.929 -27.866 -11.272 1.00 0.00 O ATOM 0 H GLY A 76 13.270 -26.431 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.327 -28.397 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.065 -27.190 -8.260 1.00 0.00 H new ATOM 1228 N THR A 77 10.077 -28.541 -10.186 1.00 0.00 N ATOM 1229 CA THR A 77 9.412 -29.019 -11.392 1.00 0.00 C ATOM 1230 C THR A 77 7.941 -28.619 -11.405 1.00 0.00 C ATOM 1231 O THR A 77 7.329 -28.437 -10.352 1.00 0.00 O ATOM 1232 CB THR A 77 9.517 -30.551 -11.521 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.225 -30.950 -12.865 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.560 -31.242 -10.562 1.00 0.00 C ATOM 0 H THR A 77 9.534 -28.659 -9.330 1.00 0.00 H new ATOM 0 HA THR A 77 9.919 -28.554 -12.238 1.00 0.00 H new ATOM 0 HB THR A 77 10.535 -30.846 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.295 -31.925 -12.940 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.652 -32.323 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.804 -30.959 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.537 -30.940 -10.788 1.00 0.00 H new