USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 13 TYR OH : rot 30:sc= -3.12! USER MOD Set 1.2: A 34 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 150:sc= 0.326 (180deg=-2.01!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -122:sc= 0 (180deg=-1.04) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= 1.13 (180deg=0.914) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc=-0.000512 (180deg=-0.0801) USER MOD Single : A 22 GLN : amide:sc= -6.66! C(o=-6.7!,f=-3.8!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.356 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.718 (180deg=-1.94) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.746 K(o=-0.75,f=-1.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -9:sc= 0.998 USER MOD Single : A 45 THR OG1 : rot -140:sc= -0.236 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.3) USER MOD Single : A 62 SER OG : rot -100:sc= -0.207! USER MOD Single : A 67 GLN : amide:sc= -10.3! C(o=-10!,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.235 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -19.796 -7.027 1.577 1.00 0.00 N ATOM 2 CA MET A 0 -18.931 -6.140 0.748 1.00 0.00 C ATOM 3 C MET A 0 -19.139 -4.685 1.168 1.00 0.00 C ATOM 4 O MET A 0 -18.199 -3.931 1.295 1.00 0.00 O ATOM 5 CB MET A 0 -19.295 -6.305 -0.731 1.00 0.00 C ATOM 6 CG MET A 0 -20.787 -6.623 -0.863 1.00 0.00 C ATOM 7 SD MET A 0 -21.015 -8.413 -0.958 1.00 0.00 S ATOM 8 CE MET A 0 -20.792 -8.569 -2.746 1.00 0.00 C ATOM 0 H1 MET A 0 -20.060 -7.868 1.025 1.00 0.00 H new ATOM 0 H2 MET A 0 -19.277 -7.321 2.429 1.00 0.00 H new ATOM 0 H3 MET A 0 -20.655 -6.512 1.856 1.00 0.00 H new ATOM 0 HA MET A 0 -17.886 -6.413 0.895 1.00 0.00 H new ATOM 0 HB2 MET A 0 -19.058 -5.392 -1.278 1.00 0.00 H new ATOM 0 HB3 MET A 0 -18.702 -7.105 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 0 -21.332 -6.221 -0.009 1.00 0.00 H new ATOM 0 HG3 MET A 0 -21.194 -6.146 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 0 -20.893 -9.615 -3.035 1.00 0.00 H new ATOM 0 HE2 MET A 0 -21.548 -7.975 -3.260 1.00 0.00 H new ATOM 0 HE3 MET A 0 -19.800 -8.211 -3.022 1.00 0.00 H new ATOM 18 N LYS A 1 -20.367 -4.292 1.381 1.00 0.00 N ATOM 19 CA LYS A 1 -20.660 -2.886 1.791 1.00 0.00 C ATOM 20 C LYS A 1 -20.506 -1.951 0.587 1.00 0.00 C ATOM 21 O LYS A 1 -21.481 -1.509 0.010 1.00 0.00 O ATOM 22 CB LYS A 1 -19.704 -2.452 2.907 1.00 0.00 C ATOM 23 CG LYS A 1 -20.187 -1.126 3.501 1.00 0.00 C ATOM 24 CD LYS A 1 -21.514 -1.343 4.231 1.00 0.00 C ATOM 25 CE LYS A 1 -21.834 -0.117 5.089 1.00 0.00 C ATOM 26 NZ LYS A 1 -22.070 -0.543 6.499 1.00 0.00 N ATOM 0 H LYS A 1 -21.188 -4.890 1.288 1.00 0.00 H new ATOM 0 HA LYS A 1 -21.684 -2.833 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.661 -3.217 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.694 -2.341 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.441 -0.732 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -20.312 -0.386 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -22.314 -1.514 3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -21.455 -2.233 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.010 0.595 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -22.716 0.392 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -22.287 0.291 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -22.870 -1.207 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.217 -1.010 6.868 1.00 0.00 H new ATOM 40 N SER A 2 -19.296 -1.638 0.202 1.00 0.00 N ATOM 41 CA SER A 2 -19.100 -0.726 -0.960 1.00 0.00 C ATOM 42 C SER A 2 -17.718 -0.964 -1.579 1.00 0.00 C ATOM 43 O SER A 2 -16.807 -1.409 -0.909 1.00 0.00 O ATOM 44 CB SER A 2 -19.196 0.721 -0.482 1.00 0.00 C ATOM 45 OG SER A 2 -18.633 0.822 0.819 1.00 0.00 O ATOM 0 H SER A 2 -18.439 -1.974 0.641 1.00 0.00 H new ATOM 0 HA SER A 2 -19.868 -0.922 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.669 1.380 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.237 1.043 -0.467 1.00 0.00 H new ATOM 0 HG SER A 2 -18.691 1.750 1.129 1.00 0.00 H new ATOM 51 N PRO A 3 -17.605 -0.657 -2.849 1.00 0.00 N ATOM 52 CA PRO A 3 -16.341 -0.825 -3.593 1.00 0.00 C ATOM 53 C PRO A 3 -15.242 0.070 -3.009 1.00 0.00 C ATOM 54 O PRO A 3 -14.073 -0.260 -3.053 1.00 0.00 O ATOM 55 CB PRO A 3 -16.673 -0.395 -5.029 1.00 0.00 C ATOM 56 CG PRO A 3 -18.162 0.038 -5.061 1.00 0.00 C ATOM 57 CD PRO A 3 -18.728 -0.124 -3.642 1.00 0.00 C ATOM 0 HA PRO A 3 -15.969 -1.848 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.029 0.428 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.499 -1.217 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.252 1.072 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.723 -0.573 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.077 0.829 -3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.579 -0.805 -3.631 1.00 0.00 H new ATOM 65 N GLU A 4 -15.604 1.202 -2.463 1.00 0.00 N ATOM 66 CA GLU A 4 -14.582 2.118 -1.877 1.00 0.00 C ATOM 67 C GLU A 4 -14.221 1.669 -0.462 1.00 0.00 C ATOM 68 O GLU A 4 -13.726 2.445 0.328 1.00 0.00 O ATOM 69 CB GLU A 4 -15.141 3.541 -1.828 1.00 0.00 C ATOM 70 CG GLU A 4 -15.323 4.066 -3.252 1.00 0.00 C ATOM 71 CD GLU A 4 -16.178 5.333 -3.224 1.00 0.00 C ATOM 72 OE1 GLU A 4 -17.206 5.316 -2.567 1.00 0.00 O ATOM 73 OE2 GLU A 4 -15.791 6.300 -3.859 1.00 0.00 O ATOM 0 H GLU A 4 -16.567 1.532 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.687 2.093 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.095 3.550 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.464 4.190 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.352 4.280 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.799 3.307 -3.873 1.00 0.00 H new ATOM 80 N GLU A 5 -14.464 0.432 -0.126 1.00 0.00 N ATOM 81 CA GLU A 5 -14.133 -0.037 1.242 1.00 0.00 C ATOM 82 C GLU A 5 -12.608 -0.069 1.425 1.00 0.00 C ATOM 83 O GLU A 5 -12.109 -0.306 2.508 1.00 0.00 O ATOM 84 CB GLU A 5 -14.708 -1.439 1.447 1.00 0.00 C ATOM 85 CG GLU A 5 -15.487 -1.486 2.763 1.00 0.00 C ATOM 86 CD GLU A 5 -14.720 -2.327 3.784 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.909 -3.533 3.791 1.00 0.00 O ATOM 88 OE2 GLU A 5 -13.953 -1.753 4.540 1.00 0.00 O ATOM 0 H GLU A 5 -14.876 -0.270 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.564 0.644 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.363 -1.700 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.904 -2.174 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.635 -0.476 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.477 -1.911 2.596 1.00 0.00 H new ATOM 95 N LEU A 6 -11.869 0.175 0.375 1.00 0.00 N ATOM 96 CA LEU A 6 -10.377 0.173 0.481 1.00 0.00 C ATOM 97 C LEU A 6 -9.929 1.510 1.044 1.00 0.00 C ATOM 98 O LEU A 6 -8.897 1.627 1.672 1.00 0.00 O ATOM 99 CB LEU A 6 -9.766 -0.071 -0.902 1.00 0.00 C ATOM 100 CG LEU A 6 -10.362 -1.348 -1.523 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.656 -2.391 -0.437 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.661 -1.001 -2.252 1.00 0.00 C ATOM 0 H LEU A 6 -12.234 0.377 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.043 -0.623 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.960 0.783 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.684 -0.168 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.639 -1.764 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.077 -3.286 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.732 -2.649 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.369 -1.981 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.084 -1.904 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.372 -0.575 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.454 -0.276 -3.040 1.00 0.00 H new ATOM 114 N LYS A 7 -10.718 2.515 0.850 1.00 0.00 N ATOM 115 CA LYS A 7 -10.392 3.839 1.393 1.00 0.00 C ATOM 116 C LYS A 7 -10.190 3.745 2.917 1.00 0.00 C ATOM 117 O LYS A 7 -9.477 4.528 3.505 1.00 0.00 O ATOM 118 CB LYS A 7 -11.577 4.736 1.023 1.00 0.00 C ATOM 119 CG LYS A 7 -12.017 5.613 2.207 1.00 0.00 C ATOM 120 CD LYS A 7 -12.774 4.763 3.258 1.00 0.00 C ATOM 121 CE LYS A 7 -13.469 3.554 2.610 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.169 2.759 3.657 1.00 0.00 N ATOM 0 H LYS A 7 -11.592 2.469 0.327 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.465 4.244 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.303 5.372 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.414 4.118 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.145 6.079 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.659 6.419 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.075 4.417 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.515 5.382 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.182 3.892 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.735 2.932 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.808 1.784 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.998 3.186 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.190 2.751 3.462 1.00 0.00 H new ATOM 136 N GLY A 8 -10.853 2.821 3.558 1.00 0.00 N ATOM 137 CA GLY A 8 -10.744 2.706 5.046 1.00 0.00 C ATOM 138 C GLY A 8 -9.461 1.981 5.479 1.00 0.00 C ATOM 139 O GLY A 8 -9.063 2.065 6.622 1.00 0.00 O ATOM 0 H GLY A 8 -11.468 2.137 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.763 3.702 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.611 2.169 5.432 1.00 0.00 H new ATOM 143 N ILE A 9 -8.812 1.267 4.603 1.00 0.00 N ATOM 144 CA ILE A 9 -7.569 0.553 5.029 1.00 0.00 C ATOM 145 C ILE A 9 -6.370 1.470 4.838 1.00 0.00 C ATOM 146 O ILE A 9 -5.921 2.133 5.746 1.00 0.00 O ATOM 147 CB ILE A 9 -7.389 -0.755 4.216 1.00 0.00 C ATOM 148 CG1 ILE A 9 -5.901 -1.123 4.061 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.040 -0.658 2.830 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.703 -2.593 4.433 1.00 0.00 C ATOM 0 H ILE A 9 -9.079 1.146 3.626 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.651 0.286 6.083 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.890 -1.541 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.576 -0.949 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.289 -0.488 4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.892 -1.594 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.108 -0.469 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.584 0.158 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.651 -2.857 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.012 -2.752 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.304 -3.219 3.774 1.00 0.00 H new ATOM 162 N PHE A 10 -5.859 1.482 3.656 1.00 0.00 N ATOM 163 CA PHE A 10 -4.670 2.322 3.326 1.00 0.00 C ATOM 164 C PHE A 10 -4.732 3.650 4.071 1.00 0.00 C ATOM 165 O PHE A 10 -3.956 3.929 4.962 1.00 0.00 O ATOM 166 CB PHE A 10 -4.725 2.621 1.836 1.00 0.00 C ATOM 167 CG PHE A 10 -3.753 3.726 1.476 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.155 5.071 1.525 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.444 3.407 1.102 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.248 6.086 1.203 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.540 4.424 0.777 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.942 5.762 0.829 1.00 0.00 C ATOM 0 H PHE A 10 -6.218 0.933 2.875 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.759 1.795 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.486 1.721 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.737 2.914 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.166 5.322 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.130 2.374 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.558 7.120 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.530 4.175 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.242 6.546 0.580 1.00 0.00 H new ATOM 182 N GLU A 11 -5.636 4.476 3.663 1.00 0.00 N ATOM 183 CA GLU A 11 -5.778 5.830 4.278 1.00 0.00 C ATOM 184 C GLU A 11 -5.548 5.772 5.791 1.00 0.00 C ATOM 185 O GLU A 11 -4.872 6.610 6.355 1.00 0.00 O ATOM 186 CB GLU A 11 -7.184 6.362 4.006 1.00 0.00 C ATOM 187 CG GLU A 11 -7.422 7.633 4.825 1.00 0.00 C ATOM 188 CD GLU A 11 -8.334 8.580 4.043 1.00 0.00 C ATOM 189 OE1 GLU A 11 -8.987 8.116 3.123 1.00 0.00 O ATOM 190 OE2 GLU A 11 -8.364 9.753 4.376 1.00 0.00 O ATOM 0 H GLU A 11 -6.301 4.276 2.915 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.031 6.490 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.304 6.575 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.926 5.606 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.877 7.381 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.472 8.122 5.042 1.00 0.00 H new ATOM 197 N LYS A 12 -6.111 4.806 6.459 1.00 0.00 N ATOM 198 CA LYS A 12 -5.926 4.727 7.939 1.00 0.00 C ATOM 199 C LYS A 12 -4.480 4.336 8.263 1.00 0.00 C ATOM 200 O LYS A 12 -3.884 4.839 9.194 1.00 0.00 O ATOM 201 CB LYS A 12 -6.910 3.699 8.528 1.00 0.00 C ATOM 202 CG LYS A 12 -6.237 2.327 8.704 1.00 0.00 C ATOM 203 CD LYS A 12 -5.344 2.347 9.952 1.00 0.00 C ATOM 204 CE LYS A 12 -5.915 1.397 11.005 1.00 0.00 C ATOM 205 NZ LYS A 12 -5.034 0.201 11.125 1.00 0.00 N ATOM 0 H LYS A 12 -6.688 4.071 6.050 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.128 5.701 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.278 4.053 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.775 3.602 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.994 1.549 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.642 2.087 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.329 2.048 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.285 3.359 10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.989 1.905 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.924 1.092 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.598 -0.616 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.603 -0.006 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.286 0.390 11.822 1.00 0.00 H new ATOM 219 N TYR A 13 -3.918 3.428 7.510 1.00 0.00 N ATOM 220 CA TYR A 13 -2.524 2.994 7.785 1.00 0.00 C ATOM 221 C TYR A 13 -1.556 4.129 7.476 1.00 0.00 C ATOM 222 O TYR A 13 -0.365 4.018 7.688 1.00 0.00 O ATOM 223 CB TYR A 13 -2.202 1.757 6.952 1.00 0.00 C ATOM 224 CG TYR A 13 -2.586 0.559 7.774 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.915 0.124 7.792 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.625 -0.086 8.554 1.00 0.00 C ATOM 227 CE1 TYR A 13 -4.281 -0.964 8.588 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.989 -1.171 9.358 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.319 -1.612 9.375 1.00 0.00 C ATOM 230 OH TYR A 13 -3.681 -2.681 10.168 1.00 0.00 O ATOM 0 H TYR A 13 -4.367 2.970 6.717 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.420 2.738 8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.753 1.772 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.142 1.728 6.700 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.657 0.629 7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.600 0.253 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.305 -1.306 8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.246 -1.668 9.965 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.433 -3.155 9.755 1.00 0.00 H new ATOM 240 N ASP A 15 -2.066 5.236 7.016 1.00 0.00 N ATOM 241 CA ASP A 15 -1.214 6.401 6.739 1.00 0.00 C ATOM 242 C ASP A 15 -1.088 7.183 8.048 1.00 0.00 C ATOM 243 O ASP A 15 -1.276 8.383 8.088 1.00 0.00 O ATOM 244 CB ASP A 15 -1.915 7.258 5.688 1.00 0.00 C ATOM 245 CG ASP A 15 -0.887 7.795 4.689 1.00 0.00 C ATOM 246 OD1 ASP A 15 0.256 7.967 5.081 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.259 8.025 3.550 1.00 0.00 O ATOM 0 H ASP A 15 -3.057 5.375 6.820 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.229 6.113 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.668 6.667 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.436 8.086 6.169 1.00 0.00 H new ATOM 252 N LYS A 16 -0.802 6.495 9.127 1.00 0.00 N ATOM 253 CA LYS A 16 -0.693 7.169 10.450 1.00 0.00 C ATOM 254 C LYS A 16 0.658 7.878 10.550 1.00 0.00 C ATOM 255 O LYS A 16 1.566 7.421 11.215 1.00 0.00 O ATOM 256 CB LYS A 16 -0.801 6.132 11.587 1.00 0.00 C ATOM 257 CG LYS A 16 -1.616 4.899 11.150 1.00 0.00 C ATOM 258 CD LYS A 16 -0.712 3.665 11.160 1.00 0.00 C ATOM 259 CE LYS A 16 -0.706 3.049 12.562 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.956 2.262 12.765 1.00 0.00 N ATOM 0 H LYS A 16 -0.639 5.488 9.143 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.503 7.892 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.198 5.820 11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.271 6.591 12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.461 4.750 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.026 5.055 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.066 2.935 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.301 3.941 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.165 2.406 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.631 3.833 13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.841 1.633 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.751 2.911 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.150 1.693 11.916 1.00 0.00 H new ATOM 274 N GLU A 17 0.791 8.999 9.898 1.00 0.00 N ATOM 275 CA GLU A 17 2.074 9.752 9.953 1.00 0.00 C ATOM 276 C GLU A 17 1.789 11.231 9.678 1.00 0.00 C ATOM 277 O GLU A 17 1.757 12.043 10.581 1.00 0.00 O ATOM 278 CB GLU A 17 3.035 9.201 8.896 1.00 0.00 C ATOM 279 CG GLU A 17 4.426 9.804 9.103 1.00 0.00 C ATOM 280 CD GLU A 17 5.192 9.781 7.780 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.182 8.748 7.130 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.774 10.796 7.437 1.00 0.00 O ATOM 0 H GLU A 17 0.063 9.428 9.327 1.00 0.00 H new ATOM 0 HA GLU A 17 2.530 9.643 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.085 8.114 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.669 9.440 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.340 10.827 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.970 9.240 9.861 1.00 0.00 H new ATOM 289 N GLY A 18 1.568 11.585 8.442 1.00 0.00 N ATOM 290 CA GLY A 18 1.268 13.007 8.119 1.00 0.00 C ATOM 291 C GLY A 18 1.766 13.366 6.713 1.00 0.00 C ATOM 292 O GLY A 18 2.435 14.364 6.527 1.00 0.00 O ATOM 0 H GLY A 18 1.582 10.951 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.194 13.180 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.741 13.659 8.854 1.00 0.00 H new ATOM 296 N ASP A 19 1.455 12.572 5.719 1.00 0.00 N ATOM 297 CA ASP A 19 1.934 12.905 4.338 1.00 0.00 C ATOM 298 C ASP A 19 0.853 12.624 3.273 1.00 0.00 C ATOM 299 O ASP A 19 1.013 12.985 2.124 1.00 0.00 O ATOM 300 CB ASP A 19 3.192 12.088 4.009 1.00 0.00 C ATOM 301 CG ASP A 19 3.290 10.864 4.925 1.00 0.00 C ATOM 302 OD1 ASP A 19 3.296 11.050 6.130 1.00 0.00 O ATOM 303 OD2 ASP A 19 3.362 9.764 4.403 1.00 0.00 O ATOM 0 H ASP A 19 0.899 11.720 5.799 1.00 0.00 H new ATOM 0 HA ASP A 19 2.163 13.971 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.164 11.769 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.079 12.711 4.128 1.00 0.00 H new ATOM 308 N GLY A 20 -0.237 11.985 3.618 1.00 0.00 N ATOM 309 CA GLY A 20 -1.284 11.699 2.600 1.00 0.00 C ATOM 310 C GLY A 20 -0.999 10.334 1.976 1.00 0.00 C ATOM 311 O GLY A 20 -1.895 9.562 1.696 1.00 0.00 O ATOM 0 H GLY A 20 -0.443 11.651 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.272 11.705 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.286 12.473 1.832 1.00 0.00 H new ATOM 315 N GLN A 22 0.250 10.040 1.755 1.00 0.00 N ATOM 316 CA GLN A 22 0.624 8.739 1.150 1.00 0.00 C ATOM 317 C GLN A 22 1.559 7.989 2.090 1.00 0.00 C ATOM 318 O GLN A 22 1.874 8.459 3.164 1.00 0.00 O ATOM 319 CB GLN A 22 1.294 8.994 -0.198 1.00 0.00 C ATOM 320 CG GLN A 22 2.093 10.297 -0.134 1.00 0.00 C ATOM 321 CD GLN A 22 2.750 10.572 -1.489 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.698 11.328 -1.571 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.286 9.990 -2.561 1.00 0.00 N ATOM 0 H GLN A 22 1.035 10.655 1.971 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.264 8.127 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.953 8.163 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.541 9.055 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.436 11.124 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.855 10.229 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.490 9.355 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.719 10.170 -3.467 1.00 0.00 H new ATOM 332 N LEU A 23 1.972 6.805 1.728 1.00 0.00 N ATOM 333 CA LEU A 23 2.834 6.035 2.646 1.00 0.00 C ATOM 334 C LEU A 23 4.248 5.866 2.132 1.00 0.00 C ATOM 335 O LEU A 23 4.479 5.575 0.974 1.00 0.00 O ATOM 336 CB LEU A 23 2.333 4.602 2.752 1.00 0.00 C ATOM 337 CG LEU A 23 0.825 4.496 2.801 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.481 3.102 2.259 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.364 4.600 4.260 1.00 0.00 C ATOM 0 H LEU A 23 1.749 6.348 0.844 1.00 0.00 H new ATOM 0 HA LEU A 23 2.812 6.593 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.703 4.032 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.752 4.144 3.648 1.00 0.00 H new ATOM 0 HG LEU A 23 0.342 5.284 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.600 2.964 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.849 3.008 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.949 2.342 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.722 4.525 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.808 3.791 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.678 5.558 4.673 1.00 0.00 H new ATOM 351 N SER A 24 5.175 5.856 3.036 1.00 0.00 N ATOM 352 CA SER A 24 6.544 5.484 2.652 1.00 0.00 C ATOM 353 C SER A 24 6.451 3.966 2.764 1.00 0.00 C ATOM 354 O SER A 24 5.383 3.472 3.080 1.00 0.00 O ATOM 355 CB SER A 24 7.557 6.045 3.652 1.00 0.00 C ATOM 356 OG SER A 24 8.770 5.311 3.552 1.00 0.00 O ATOM 0 H SER A 24 5.041 6.089 4.020 1.00 0.00 H new ATOM 0 HA SER A 24 6.869 5.854 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.739 7.100 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.161 5.979 4.665 1.00 0.00 H new ATOM 0 HG SER A 24 9.422 5.669 4.190 1.00 0.00 H new ATOM 362 N LYS A 25 7.458 3.184 2.553 1.00 0.00 N ATOM 363 CA LYS A 25 7.181 1.732 2.729 1.00 0.00 C ATOM 364 C LYS A 25 6.944 1.430 4.210 1.00 0.00 C ATOM 365 O LYS A 25 6.588 0.328 4.577 1.00 0.00 O ATOM 366 CB LYS A 25 8.300 0.844 2.183 1.00 0.00 C ATOM 367 CG LYS A 25 7.837 0.215 0.880 1.00 0.00 C ATOM 368 CD LYS A 25 7.636 -1.287 1.084 1.00 0.00 C ATOM 369 CE LYS A 25 8.953 -1.924 1.536 1.00 0.00 C ATOM 370 NZ LYS A 25 10.093 -1.228 0.875 1.00 0.00 N ATOM 0 H LYS A 25 8.404 3.454 2.284 1.00 0.00 H new ATOM 0 HA LYS A 25 6.286 1.501 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.202 1.433 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.553 0.069 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.906 0.676 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.574 0.391 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.861 -1.463 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.297 -1.748 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.050 -1.855 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.963 -2.984 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.934 -1.840 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.845 -1.016 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.297 -0.341 1.378 1.00 0.00 H new ATOM 384 N GLU A 26 7.120 2.402 5.066 1.00 0.00 N ATOM 385 CA GLU A 26 6.883 2.164 6.517 1.00 0.00 C ATOM 386 C GLU A 26 5.386 1.946 6.755 1.00 0.00 C ATOM 387 O GLU A 26 4.991 1.086 7.509 1.00 0.00 O ATOM 388 CB GLU A 26 7.366 3.375 7.320 1.00 0.00 C ATOM 389 CG GLU A 26 8.821 3.155 7.739 1.00 0.00 C ATOM 390 CD GLU A 26 8.966 3.395 9.243 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.394 2.631 10.002 1.00 0.00 O ATOM 392 OE2 GLU A 26 9.647 4.339 9.609 1.00 0.00 O ATOM 0 H GLU A 26 7.417 3.347 4.823 1.00 0.00 H new ATOM 0 HA GLU A 26 7.433 1.280 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.281 4.281 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.739 3.516 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.131 2.140 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.475 3.832 7.188 1.00 0.00 H new ATOM 399 N GLU A 27 4.546 2.715 6.116 1.00 0.00 N ATOM 400 CA GLU A 27 3.079 2.537 6.311 1.00 0.00 C ATOM 401 C GLU A 27 2.515 1.603 5.231 1.00 0.00 C ATOM 402 O GLU A 27 1.433 1.069 5.372 1.00 0.00 O ATOM 403 CB GLU A 27 2.391 3.902 6.249 1.00 0.00 C ATOM 404 CG GLU A 27 2.779 4.716 7.483 1.00 0.00 C ATOM 405 CD GLU A 27 4.130 5.391 7.248 1.00 0.00 C ATOM 406 OE1 GLU A 27 4.356 5.850 6.141 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.916 5.440 8.179 1.00 0.00 O ATOM 0 H GLU A 27 4.812 3.457 5.469 1.00 0.00 H new ATOM 0 HA GLU A 27 2.893 2.087 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.686 4.430 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.309 3.776 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.017 5.467 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.832 4.067 8.357 1.00 0.00 H new ATOM 414 N LEU A 28 3.232 1.392 4.157 1.00 0.00 N ATOM 415 CA LEU A 28 2.715 0.483 3.086 1.00 0.00 C ATOM 416 C LEU A 28 2.993 -0.987 3.442 1.00 0.00 C ATOM 417 O LEU A 28 2.084 -1.772 3.571 1.00 0.00 O ATOM 418 CB LEU A 28 3.371 0.822 1.746 1.00 0.00 C ATOM 419 CG LEU A 28 2.653 0.072 0.620 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.359 0.804 0.255 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.564 0.008 -0.607 1.00 0.00 C ATOM 0 H LEU A 28 4.146 1.806 3.974 1.00 0.00 H new ATOM 0 HA LEU A 28 1.637 0.626 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.325 1.896 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.426 0.547 1.766 1.00 0.00 H new ATOM 0 HG LEU A 28 2.414 -0.938 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.851 0.267 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.709 0.852 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.594 1.815 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.056 -0.525 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.802 1.019 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.485 -0.516 -0.350 1.00 0.00 H new ATOM 433 N LYS A 29 4.239 -1.369 3.590 1.00 0.00 N ATOM 434 CA LYS A 29 4.560 -2.790 3.924 1.00 0.00 C ATOM 435 C LYS A 29 3.632 -3.292 5.033 1.00 0.00 C ATOM 436 O LYS A 29 2.686 -4.010 4.784 1.00 0.00 O ATOM 437 CB LYS A 29 6.013 -2.883 4.397 1.00 0.00 C ATOM 438 CG LYS A 29 6.767 -3.900 3.537 1.00 0.00 C ATOM 439 CD LYS A 29 8.080 -4.282 4.225 1.00 0.00 C ATOM 440 CE LYS A 29 7.879 -5.565 5.035 1.00 0.00 C ATOM 441 NZ LYS A 29 9.201 -6.196 5.310 1.00 0.00 N ATOM 0 H LYS A 29 5.048 -0.755 3.493 1.00 0.00 H new ATOM 0 HA LYS A 29 4.420 -3.406 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.492 -1.906 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.047 -3.181 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.153 -4.788 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.970 -3.479 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.863 -4.428 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.408 -3.474 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.371 -5.339 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.242 -6.258 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.062 -7.067 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.670 -6.426 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.795 -5.536 5.851 1.00 0.00 H new ATOM 455 N LEU A 30 3.907 -2.930 6.254 1.00 0.00 N ATOM 456 CA LEU A 30 3.045 -3.388 7.387 1.00 0.00 C ATOM 457 C LEU A 30 1.570 -3.300 6.984 1.00 0.00 C ATOM 458 O LEU A 30 0.803 -4.220 7.191 1.00 0.00 O ATOM 459 CB LEU A 30 3.279 -2.507 8.622 1.00 0.00 C ATOM 460 CG LEU A 30 3.903 -1.167 8.218 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.304 -0.048 9.071 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.414 -1.236 8.452 1.00 0.00 C ATOM 0 H LEU A 30 4.692 -2.336 6.520 1.00 0.00 H new ATOM 0 HA LEU A 30 3.303 -4.420 7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.334 -2.334 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.934 -3.022 9.324 1.00 0.00 H new ATOM 0 HG LEU A 30 3.700 -0.964 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.748 0.905 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.226 -0.008 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.511 -0.242 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.870 -0.288 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.610 -1.432 9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.839 -2.038 7.849 1.00 0.00 H new ATOM 474 N LEU A 31 1.168 -2.201 6.412 1.00 0.00 N ATOM 475 CA LEU A 31 -0.256 -2.045 5.994 1.00 0.00 C ATOM 476 C LEU A 31 -0.707 -3.308 5.246 1.00 0.00 C ATOM 477 O LEU A 31 -1.759 -3.858 5.507 1.00 0.00 O ATOM 478 CB LEU A 31 -0.360 -0.805 5.082 1.00 0.00 C ATOM 479 CG LEU A 31 -1.493 -0.956 4.055 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.849 -0.820 4.748 1.00 0.00 C ATOM 481 CD2 LEU A 31 -1.354 0.139 2.997 1.00 0.00 C ATOM 0 H LEU A 31 1.766 -1.399 6.214 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.901 -1.911 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.535 0.082 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.586 -0.654 4.562 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.429 -1.939 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.646 -0.928 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.949 -1.595 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.920 0.161 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.154 0.040 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.419 1.117 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.390 0.042 2.498 1.00 0.00 H new ATOM 493 N LEU A 32 0.077 -3.751 4.308 1.00 0.00 N ATOM 494 CA LEU A 32 -0.270 -4.942 3.513 1.00 0.00 C ATOM 495 C LEU A 32 -0.235 -6.209 4.382 1.00 0.00 C ATOM 496 O LEU A 32 -0.942 -7.161 4.132 1.00 0.00 O ATOM 497 CB LEU A 32 0.766 -5.055 2.402 1.00 0.00 C ATOM 498 CG LEU A 32 0.417 -4.085 1.269 1.00 0.00 C ATOM 499 CD1 LEU A 32 1.696 -3.426 0.749 1.00 0.00 C ATOM 500 CD2 LEU A 32 -0.260 -4.851 0.130 1.00 0.00 C ATOM 0 H LEU A 32 0.967 -3.320 4.058 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.278 -4.845 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.758 -4.830 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.796 -6.076 2.023 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.261 -3.318 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.448 -2.736 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.179 -2.879 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.374 -4.193 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.508 -4.160 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.417 -5.618 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.172 -5.321 0.499 1.00 0.00 H new ATOM 512 N GLN A 33 0.597 -6.245 5.386 1.00 0.00 N ATOM 513 CA GLN A 33 0.680 -7.472 6.234 1.00 0.00 C ATOM 514 C GLN A 33 -0.589 -7.642 7.077 1.00 0.00 C ATOM 515 O GLN A 33 -0.942 -8.736 7.469 1.00 0.00 O ATOM 516 CB GLN A 33 1.905 -7.372 7.153 1.00 0.00 C ATOM 517 CG GLN A 33 1.585 -6.539 8.401 1.00 0.00 C ATOM 518 CD GLN A 33 1.504 -7.459 9.620 1.00 0.00 C ATOM 519 OE1 GLN A 33 0.627 -7.314 10.448 1.00 0.00 O ATOM 520 NE2 GLN A 33 2.390 -8.407 9.769 1.00 0.00 N ATOM 0 H GLN A 33 1.220 -5.484 5.656 1.00 0.00 H new ATOM 0 HA GLN A 33 0.775 -8.341 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.225 -8.371 7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.735 -6.919 6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.355 -5.782 8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.641 -6.011 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.127 -8.530 9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.345 -9.024 10.580 1.00 0.00 H new ATOM 529 N THR A 34 -1.261 -6.572 7.377 1.00 0.00 N ATOM 530 CA THR A 34 -2.490 -6.673 8.220 1.00 0.00 C ATOM 531 C THR A 34 -3.687 -7.175 7.405 1.00 0.00 C ATOM 532 O THR A 34 -3.978 -8.354 7.371 1.00 0.00 O ATOM 533 CB THR A 34 -2.828 -5.295 8.798 1.00 0.00 C ATOM 534 OG1 THR A 34 -2.120 -4.294 8.084 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.435 -5.250 10.277 1.00 0.00 C ATOM 0 H THR A 34 -1.017 -5.628 7.077 1.00 0.00 H new ATOM 0 HA THR A 34 -2.291 -7.385 9.021 1.00 0.00 H new ATOM 0 HB THR A 34 -3.899 -5.115 8.704 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.372 -4.327 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.676 -4.269 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.984 -6.017 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.365 -5.432 10.375 1.00 0.00 H new ATOM 543 N GLU A 35 -4.406 -6.279 6.786 1.00 0.00 N ATOM 544 CA GLU A 35 -5.618 -6.679 6.012 1.00 0.00 C ATOM 545 C GLU A 35 -5.253 -7.147 4.597 1.00 0.00 C ATOM 546 O GLU A 35 -6.092 -7.187 3.721 1.00 0.00 O ATOM 547 CB GLU A 35 -6.556 -5.472 5.918 1.00 0.00 C ATOM 548 CG GLU A 35 -6.689 -4.818 7.297 1.00 0.00 C ATOM 549 CD GLU A 35 -7.075 -5.874 8.335 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.209 -6.322 8.303 1.00 0.00 O ATOM 551 OE2 GLU A 35 -6.231 -6.214 9.146 1.00 0.00 O ATOM 0 H GLU A 35 -4.205 -5.279 6.783 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.102 -7.510 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.167 -4.752 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.535 -5.787 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.748 -4.345 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.444 -4.032 7.266 1.00 0.00 H new ATOM 558 N PHE A 36 -4.023 -7.499 4.361 1.00 0.00 N ATOM 559 CA PHE A 36 -3.632 -7.961 2.997 1.00 0.00 C ATOM 560 C PHE A 36 -2.599 -9.087 3.119 1.00 0.00 C ATOM 561 O PHE A 36 -1.459 -8.923 2.733 1.00 0.00 O ATOM 562 CB PHE A 36 -3.024 -6.785 2.234 1.00 0.00 C ATOM 563 CG PHE A 36 -4.096 -5.775 1.890 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.362 -6.200 1.466 1.00 0.00 C ATOM 565 CD2 PHE A 36 -3.819 -4.404 1.994 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.348 -5.256 1.148 1.00 0.00 C ATOM 567 CE2 PHE A 36 -4.805 -3.462 1.675 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.068 -3.887 1.253 1.00 0.00 C ATOM 0 H PHE A 36 -3.271 -7.488 5.050 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.506 -8.333 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.249 -6.312 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.545 -7.142 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.578 -7.255 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.844 -4.074 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.324 -5.584 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.589 -2.407 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.828 -3.160 1.008 1.00 0.00 H new ATOM 578 N PRO A 37 -3.031 -10.204 3.655 1.00 0.00 N ATOM 579 CA PRO A 37 -2.159 -11.381 3.850 1.00 0.00 C ATOM 580 C PRO A 37 -1.892 -12.041 2.509 1.00 0.00 C ATOM 581 O PRO A 37 -0.781 -12.071 2.022 1.00 0.00 O ATOM 582 CB PRO A 37 -2.998 -12.335 4.693 1.00 0.00 C ATOM 583 CG PRO A 37 -4.461 -11.893 4.503 1.00 0.00 C ATOM 584 CD PRO A 37 -4.423 -10.403 4.107 1.00 0.00 C ATOM 0 HA PRO A 37 -1.205 -11.120 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.857 -13.367 4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.709 -12.286 5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.948 -12.487 3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.031 -12.036 5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.138 -10.179 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.668 -9.757 4.950 1.00 0.00 H new ATOM 592 N SER A 38 -2.927 -12.585 1.919 1.00 0.00 N ATOM 593 CA SER A 38 -2.785 -13.262 0.621 1.00 0.00 C ATOM 594 C SER A 38 -1.829 -12.450 -0.252 1.00 0.00 C ATOM 595 O SER A 38 -1.112 -12.977 -1.082 1.00 0.00 O ATOM 596 CB SER A 38 -4.153 -13.361 -0.059 1.00 0.00 C ATOM 597 OG SER A 38 -3.990 -13.902 -1.363 1.00 0.00 O ATOM 0 H SER A 38 -3.874 -12.582 2.298 1.00 0.00 H new ATOM 0 HA SER A 38 -2.390 -14.267 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.819 -13.992 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.616 -12.376 -0.117 1.00 0.00 H new ATOM 0 HG SER A 38 -4.864 -13.968 -1.801 1.00 0.00 H new ATOM 603 N LEU A 39 -1.815 -11.161 -0.043 1.00 0.00 N ATOM 604 CA LEU A 39 -0.915 -10.268 -0.817 1.00 0.00 C ATOM 605 C LEU A 39 0.532 -10.713 -0.599 1.00 0.00 C ATOM 606 O LEU A 39 1.233 -11.054 -1.533 1.00 0.00 O ATOM 607 CB LEU A 39 -1.118 -8.835 -0.307 1.00 0.00 C ATOM 608 CG LEU A 39 -0.336 -7.813 -1.144 1.00 0.00 C ATOM 609 CD1 LEU A 39 1.026 -7.565 -0.498 1.00 0.00 C ATOM 610 CD2 LEU A 39 -0.133 -8.317 -2.578 1.00 0.00 C ATOM 0 H LEU A 39 -2.400 -10.685 0.643 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.138 -10.313 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.179 -8.588 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.800 -8.772 0.734 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.909 -6.886 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.583 -6.840 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.885 -7.178 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.583 -8.501 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.424 -7.574 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.425 -9.253 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.103 -8.483 -3.046 1.00 0.00 H new ATOM 622 N LEU A 40 0.978 -10.736 0.629 1.00 0.00 N ATOM 623 CA LEU A 40 2.370 -11.187 0.911 1.00 0.00 C ATOM 624 C LEU A 40 2.361 -12.696 1.161 1.00 0.00 C ATOM 625 O LEU A 40 3.135 -13.212 1.942 1.00 0.00 O ATOM 626 CB LEU A 40 2.909 -10.474 2.151 1.00 0.00 C ATOM 627 CG LEU A 40 2.531 -8.997 2.093 1.00 0.00 C ATOM 628 CD1 LEU A 40 1.682 -8.648 3.313 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.800 -8.141 2.088 1.00 0.00 C ATOM 0 H LEU A 40 0.437 -10.461 1.449 1.00 0.00 H new ATOM 0 HA LEU A 40 3.007 -10.951 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.500 -10.930 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.992 -10.581 2.203 1.00 0.00 H new ATOM 0 HG LEU A 40 1.963 -8.800 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.409 -7.593 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.778 -9.257 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.252 -8.844 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.527 -7.086 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.372 -8.333 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.406 -8.394 1.218 1.00 0.00 H new ATOM 641 N LYS A 41 1.480 -13.404 0.509 1.00 0.00 N ATOM 642 CA LYS A 41 1.400 -14.877 0.705 1.00 0.00 C ATOM 643 C LYS A 41 1.634 -15.576 -0.636 1.00 0.00 C ATOM 644 O LYS A 41 0.784 -16.290 -1.129 1.00 0.00 O ATOM 645 CB LYS A 41 0.006 -15.236 1.235 1.00 0.00 C ATOM 646 CG LYS A 41 -0.058 -16.735 1.544 1.00 0.00 C ATOM 647 CD LYS A 41 0.748 -17.033 2.811 1.00 0.00 C ATOM 648 CE LYS A 41 2.092 -17.657 2.427 1.00 0.00 C ATOM 649 NZ LYS A 41 2.120 -19.086 2.855 1.00 0.00 N ATOM 0 H LYS A 41 0.808 -13.021 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 41 2.157 -15.200 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.211 -14.660 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.753 -14.974 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.094 -17.045 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.339 -17.307 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.910 -16.115 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.192 -17.712 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.243 -17.586 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.907 -17.109 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.033 -19.509 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.995 -19.142 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.351 -19.605 2.384 1.00 0.00 H new ATOM 663 N GLY A 42 2.777 -15.372 -1.238 1.00 0.00 N ATOM 664 CA GLY A 42 3.047 -16.024 -2.550 1.00 0.00 C ATOM 665 C GLY A 42 4.545 -15.980 -2.870 1.00 0.00 C ATOM 666 O GLY A 42 5.199 -17.001 -2.950 1.00 0.00 O ATOM 0 H GLY A 42 3.530 -14.785 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.704 -17.058 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.486 -15.519 -3.336 1.00 0.00 H new ATOM 670 N MET A 43 5.094 -14.810 -3.071 1.00 0.00 N ATOM 671 CA MET A 43 6.546 -14.722 -3.404 1.00 0.00 C ATOM 672 C MET A 43 7.280 -13.860 -2.368 1.00 0.00 C ATOM 673 O MET A 43 7.676 -14.342 -1.325 1.00 0.00 O ATOM 674 CB MET A 43 6.712 -14.107 -4.795 1.00 0.00 C ATOM 675 CG MET A 43 6.079 -15.029 -5.841 1.00 0.00 C ATOM 676 SD MET A 43 7.274 -15.349 -7.164 1.00 0.00 S ATOM 677 CE MET A 43 7.722 -17.029 -6.665 1.00 0.00 C ATOM 0 H MET A 43 4.603 -13.917 -3.019 1.00 0.00 H new ATOM 0 HA MET A 43 6.974 -15.724 -3.392 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.241 -13.125 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.769 -13.961 -5.016 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.773 -15.967 -5.377 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.180 -14.568 -6.251 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.463 -17.429 -7.357 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.139 -17.011 -5.658 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.834 -17.662 -6.679 1.00 0.00 H new ATOM 687 N SER A 44 7.475 -12.594 -2.642 1.00 0.00 N ATOM 688 CA SER A 44 8.190 -11.726 -1.664 1.00 0.00 C ATOM 689 C SER A 44 7.851 -10.269 -1.959 1.00 0.00 C ATOM 690 O SER A 44 8.682 -9.504 -2.406 1.00 0.00 O ATOM 691 CB SER A 44 9.699 -11.937 -1.797 1.00 0.00 C ATOM 692 OG SER A 44 10.031 -13.245 -1.355 1.00 0.00 O ATOM 0 H SER A 44 7.171 -12.128 -3.497 1.00 0.00 H new ATOM 0 HA SER A 44 7.882 -11.981 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.007 -11.802 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.235 -11.194 -1.206 1.00 0.00 H new ATOM 0 HG SER A 44 9.248 -13.657 -0.934 1.00 0.00 H new ATOM 698 N THR A 45 6.627 -9.889 -1.731 1.00 0.00 N ATOM 699 CA THR A 45 6.211 -8.496 -2.013 1.00 0.00 C ATOM 700 C THR A 45 7.117 -7.502 -1.302 1.00 0.00 C ATOM 701 O THR A 45 7.144 -6.348 -1.651 1.00 0.00 O ATOM 702 CB THR A 45 4.765 -8.299 -1.560 1.00 0.00 C ATOM 703 OG1 THR A 45 4.109 -9.559 -1.506 1.00 0.00 O ATOM 704 CG2 THR A 45 4.053 -7.394 -2.557 1.00 0.00 C ATOM 0 H THR A 45 5.893 -10.491 -1.358 1.00 0.00 H new ATOM 0 HA THR A 45 6.290 -8.318 -3.086 1.00 0.00 H new ATOM 0 HB THR A 45 4.746 -7.843 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.194 -9.466 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.020 -7.248 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.560 -6.430 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.069 -7.856 -3.544 1.00 0.00 H new ATOM 712 N LEU A 46 7.842 -7.956 -0.317 1.00 0.00 N ATOM 713 CA LEU A 46 8.779 -7.060 0.462 1.00 0.00 C ATOM 714 C LEU A 46 8.841 -5.627 -0.121 1.00 0.00 C ATOM 715 O LEU A 46 8.017 -4.792 0.189 1.00 0.00 O ATOM 716 CB LEU A 46 10.183 -7.670 0.452 1.00 0.00 C ATOM 717 CG LEU A 46 11.131 -6.773 1.244 1.00 0.00 C ATOM 718 CD1 LEU A 46 11.638 -7.523 2.477 1.00 0.00 C ATOM 719 CD2 LEU A 46 12.318 -6.382 0.361 1.00 0.00 C ATOM 0 H LEU A 46 7.832 -8.927 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 46 8.396 -6.986 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.161 -8.669 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.538 -7.777 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 46 10.600 -5.875 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.315 -6.881 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.793 -7.801 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.168 -8.422 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.996 -5.741 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.847 -7.281 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.957 -5.845 -0.516 1.00 0.00 H new ATOM 731 N ASP A 47 9.798 -5.341 -0.972 1.00 0.00 N ATOM 732 CA ASP A 47 9.899 -3.975 -1.587 1.00 0.00 C ATOM 733 C ASP A 47 8.979 -3.903 -2.801 1.00 0.00 C ATOM 734 O ASP A 47 8.718 -2.868 -3.336 1.00 0.00 O ATOM 735 CB ASP A 47 11.343 -3.727 -2.025 1.00 0.00 C ATOM 736 CG ASP A 47 12.048 -2.836 -1.001 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.082 -3.210 0.159 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.544 -1.793 -1.397 1.00 0.00 O ATOM 0 H ASP A 47 10.519 -5.998 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 47 9.603 -3.218 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.872 -4.675 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.359 -3.252 -3.006 1.00 0.00 H new ATOM 743 N GLU A 48 8.533 -5.033 -3.223 1.00 0.00 N ATOM 744 CA GLU A 48 7.658 -5.202 -4.386 1.00 0.00 C ATOM 745 C GLU A 48 6.343 -4.458 -4.195 1.00 0.00 C ATOM 746 O GLU A 48 5.714 -4.072 -5.145 1.00 0.00 O ATOM 747 CB GLU A 48 7.414 -6.702 -4.531 1.00 0.00 C ATOM 748 CG GLU A 48 7.912 -7.165 -5.896 1.00 0.00 C ATOM 749 CD GLU A 48 6.739 -7.233 -6.876 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.611 -7.305 -6.416 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.989 -7.212 -8.070 1.00 0.00 O ATOM 0 H GLU A 48 8.763 -5.916 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 48 8.121 -4.790 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.931 -7.244 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.351 -6.921 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.671 -6.478 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.383 -8.144 -5.809 1.00 0.00 H new ATOM 758 N LEU A 49 5.928 -4.223 -2.989 1.00 0.00 N ATOM 759 CA LEU A 49 4.667 -3.460 -2.804 1.00 0.00 C ATOM 760 C LEU A 49 4.994 -1.996 -3.106 1.00 0.00 C ATOM 761 O LEU A 49 4.151 -1.202 -3.471 1.00 0.00 O ATOM 762 CB LEU A 49 4.138 -3.606 -1.370 1.00 0.00 C ATOM 763 CG LEU A 49 5.262 -3.406 -0.352 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.867 -2.301 0.626 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.480 -4.708 0.419 1.00 0.00 C ATOM 0 H LEU A 49 6.397 -4.520 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 49 3.889 -3.837 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.348 -2.876 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.695 -4.593 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 49 6.180 -3.126 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.666 -2.156 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.701 -1.373 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.951 -2.585 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.280 -4.571 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.561 -4.982 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.754 -5.501 -0.277 1.00 0.00 H new ATOM 777 N PHE A 50 6.244 -1.658 -2.945 1.00 0.00 N ATOM 778 CA PHE A 50 6.740 -0.287 -3.207 1.00 0.00 C ATOM 779 C PHE A 50 7.182 -0.135 -4.658 1.00 0.00 C ATOM 780 O PHE A 50 6.783 0.765 -5.353 1.00 0.00 O ATOM 781 CB PHE A 50 7.930 -0.036 -2.299 1.00 0.00 C ATOM 782 CG PHE A 50 7.874 1.383 -1.762 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.662 1.928 -1.314 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.046 2.154 -1.714 1.00 0.00 C ATOM 785 CE1 PHE A 50 6.626 3.239 -0.818 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.004 3.463 -1.218 1.00 0.00 C ATOM 787 CZ PHE A 50 7.796 4.004 -0.770 1.00 0.00 C ATOM 0 H PHE A 50 6.966 -2.306 -2.630 1.00 0.00 H new ATOM 0 HA PHE A 50 5.940 0.428 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.926 -0.748 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.858 -0.191 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.758 1.339 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.981 1.738 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.693 3.659 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.906 4.055 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.766 5.013 -0.387 1.00 0.00 H new ATOM 797 N GLU A 51 8.044 -0.989 -5.110 1.00 0.00 N ATOM 798 CA GLU A 51 8.524 -0.871 -6.501 1.00 0.00 C ATOM 799 C GLU A 51 7.388 -1.266 -7.422 1.00 0.00 C ATOM 800 O GLU A 51 7.307 -0.811 -8.545 1.00 0.00 O ATOM 801 CB GLU A 51 9.733 -1.788 -6.721 1.00 0.00 C ATOM 802 CG GLU A 51 9.329 -3.243 -6.474 1.00 0.00 C ATOM 803 CD GLU A 51 9.712 -4.096 -7.684 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.145 -3.878 -8.741 1.00 0.00 O ATOM 805 OE2 GLU A 51 10.568 -4.954 -7.533 1.00 0.00 O ATOM 0 H GLU A 51 8.437 -1.764 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 51 8.836 0.152 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.109 -1.673 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.543 -1.506 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.823 -3.621 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.255 -3.307 -6.296 1.00 0.00 H new ATOM 812 N GLU A 52 6.502 -2.112 -6.955 1.00 0.00 N ATOM 813 CA GLU A 52 5.359 -2.516 -7.828 1.00 0.00 C ATOM 814 C GLU A 52 4.841 -1.288 -8.590 1.00 0.00 C ATOM 815 O GLU A 52 4.748 -1.295 -9.800 1.00 0.00 O ATOM 816 CB GLU A 52 4.218 -3.120 -7.000 1.00 0.00 C ATOM 817 CG GLU A 52 3.965 -2.326 -5.721 1.00 0.00 C ATOM 818 CD GLU A 52 2.837 -1.316 -5.950 1.00 0.00 C ATOM 819 OE1 GLU A 52 2.245 -1.350 -7.017 1.00 0.00 O ATOM 820 OE2 GLU A 52 2.584 -0.526 -5.056 1.00 0.00 O ATOM 0 H GLU A 52 6.520 -2.532 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 52 5.712 -3.272 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.308 -3.145 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.460 -4.152 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.700 -3.003 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.874 -1.807 -5.419 1.00 0.00 H new ATOM 827 N LEU A 53 4.509 -0.235 -7.890 1.00 0.00 N ATOM 828 CA LEU A 53 4.012 0.979 -8.547 1.00 0.00 C ATOM 829 C LEU A 53 4.418 2.196 -7.707 1.00 0.00 C ATOM 830 O LEU A 53 4.174 3.329 -8.068 1.00 0.00 O ATOM 831 CB LEU A 53 2.498 0.878 -8.627 1.00 0.00 C ATOM 832 CG LEU A 53 1.856 1.293 -7.299 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.649 2.809 -7.281 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.503 0.595 -7.151 1.00 0.00 C ATOM 0 H LEU A 53 4.567 -0.178 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 53 4.429 1.086 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.128 1.515 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.209 -0.144 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 53 2.509 1.006 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.192 3.103 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.611 3.309 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.996 3.097 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.044 0.888 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.148 0.884 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.648 -0.485 -7.164 1.00 0.00 H new ATOM 846 N ASP A 54 5.026 1.956 -6.576 1.00 0.00 N ATOM 847 CA ASP A 54 5.447 3.073 -5.683 1.00 0.00 C ATOM 848 C ASP A 54 6.932 3.326 -5.832 1.00 0.00 C ATOM 849 O ASP A 54 7.539 4.022 -5.044 1.00 0.00 O ATOM 850 CB ASP A 54 5.202 2.672 -4.248 1.00 0.00 C ATOM 851 CG ASP A 54 5.240 3.905 -3.339 1.00 0.00 C ATOM 852 OD1 ASP A 54 5.864 4.881 -3.719 1.00 0.00 O ATOM 853 OD2 ASP A 54 4.629 3.854 -2.284 1.00 0.00 O ATOM 0 H ASP A 54 5.251 1.023 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 54 4.882 3.966 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.235 2.177 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.957 1.953 -3.930 1.00 0.00 H new ATOM 858 N LYS A 55 7.513 2.755 -6.828 1.00 0.00 N ATOM 859 CA LYS A 55 8.953 2.925 -7.068 1.00 0.00 C ATOM 860 C LYS A 55 9.342 4.362 -6.734 1.00 0.00 C ATOM 861 O LYS A 55 10.235 4.624 -5.954 1.00 0.00 O ATOM 862 CB LYS A 55 9.218 2.601 -8.550 1.00 0.00 C ATOM 863 CG LYS A 55 8.560 3.628 -9.508 1.00 0.00 C ATOM 864 CD LYS A 55 9.485 4.850 -9.708 1.00 0.00 C ATOM 865 CE LYS A 55 8.660 6.156 -9.882 1.00 0.00 C ATOM 866 NZ LYS A 55 8.271 6.304 -11.312 1.00 0.00 N ATOM 0 H LYS A 55 7.036 2.160 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 55 9.549 2.261 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.293 2.580 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.838 1.604 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.355 3.158 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.602 3.952 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.152 4.949 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.114 4.694 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.771 6.125 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.247 7.017 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.719 7.177 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.127 6.351 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.696 5.487 -11.602 1.00 0.00 H new ATOM 880 N ASN A 56 8.633 5.278 -7.293 1.00 0.00 N ATOM 881 CA ASN A 56 8.861 6.701 -7.026 1.00 0.00 C ATOM 882 C ASN A 56 7.759 7.565 -7.580 1.00 0.00 C ATOM 883 O ASN A 56 8.077 8.534 -8.238 1.00 0.00 O ATOM 884 CB ASN A 56 10.216 7.203 -7.542 1.00 0.00 C ATOM 885 CG ASN A 56 11.063 7.628 -6.353 1.00 0.00 C ATOM 886 OD1 ASN A 56 11.961 6.932 -5.924 1.00 0.00 O ATOM 887 ND2 ASN A 56 10.781 8.789 -5.811 1.00 0.00 N ATOM 0 H ASN A 56 7.875 5.089 -7.950 1.00 0.00 H new ATOM 0 HA ASN A 56 8.866 6.787 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.721 6.417 -8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.074 8.042 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.321 9.124 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.022 9.357 -6.188 1.00 0.00 H new ATOM 894 N GLY A 57 6.470 7.289 -7.319 1.00 0.00 N ATOM 895 CA GLY A 57 5.406 8.243 -7.835 1.00 0.00 C ATOM 896 C GLY A 57 6.133 9.563 -7.854 1.00 0.00 C ATOM 897 O GLY A 57 6.351 10.205 -8.863 1.00 0.00 O ATOM 0 H GLY A 57 6.130 6.482 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.053 7.960 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.534 8.270 -7.182 1.00 0.00 H new ATOM 901 N ASP A 58 6.711 9.783 -6.722 1.00 0.00 N ATOM 902 CA ASP A 58 7.694 10.851 -6.532 1.00 0.00 C ATOM 903 C ASP A 58 8.325 10.641 -5.141 1.00 0.00 C ATOM 904 O ASP A 58 9.490 10.917 -4.932 1.00 0.00 O ATOM 905 CB ASP A 58 7.133 12.266 -6.709 1.00 0.00 C ATOM 906 CG ASP A 58 5.617 12.212 -6.901 1.00 0.00 C ATOM 907 OD1 ASP A 58 4.947 11.695 -6.022 1.00 0.00 O ATOM 908 OD2 ASP A 58 5.152 12.691 -7.922 1.00 0.00 O ATOM 0 H ASP A 58 6.528 9.234 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 58 8.446 10.782 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.375 12.873 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.599 12.745 -7.570 1.00 0.00 H new ATOM 913 N GLY A 59 7.557 10.129 -4.182 1.00 0.00 N ATOM 914 CA GLY A 59 8.118 9.882 -2.821 1.00 0.00 C ATOM 915 C GLY A 59 7.290 8.793 -2.125 1.00 0.00 C ATOM 916 O GLY A 59 7.828 7.865 -1.552 1.00 0.00 O ATOM 0 H GLY A 59 6.575 9.878 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.160 9.572 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.099 10.801 -2.235 1.00 0.00 H new ATOM 920 N GLU A 60 5.986 8.895 -2.168 1.00 0.00 N ATOM 921 CA GLU A 60 5.132 7.862 -1.507 1.00 0.00 C ATOM 922 C GLU A 60 3.873 7.609 -2.351 1.00 0.00 C ATOM 923 O GLU A 60 3.693 8.192 -3.403 1.00 0.00 O ATOM 924 CB GLU A 60 4.726 8.356 -0.117 1.00 0.00 C ATOM 925 CG GLU A 60 5.970 8.478 0.767 1.00 0.00 C ATOM 926 CD GLU A 60 5.738 9.551 1.834 1.00 0.00 C ATOM 927 OE1 GLU A 60 4.875 10.388 1.627 1.00 0.00 O ATOM 928 OE2 GLU A 60 6.431 9.518 2.839 1.00 0.00 O ATOM 0 H GLU A 60 5.476 9.647 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 60 5.694 6.932 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.226 9.322 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.014 7.664 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.187 7.521 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.837 8.737 0.159 1.00 0.00 H new ATOM 935 N VAL A 61 3.000 6.744 -1.897 1.00 0.00 N ATOM 936 CA VAL A 61 1.752 6.453 -2.669 1.00 0.00 C ATOM 937 C VAL A 61 0.534 6.847 -1.830 1.00 0.00 C ATOM 938 O VAL A 61 0.369 6.402 -0.714 1.00 0.00 O ATOM 939 CB VAL A 61 1.675 4.957 -2.975 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.267 4.587 -3.443 1.00 0.00 C ATOM 941 CG2 VAL A 61 2.666 4.602 -4.083 1.00 0.00 C ATOM 0 H VAL A 61 3.098 6.226 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 61 1.765 7.020 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 61 1.918 4.406 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.224 3.519 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.452 4.829 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.024 5.149 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.606 3.535 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.423 5.166 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.677 4.852 -3.761 1.00 0.00 H new ATOM 951 N SER A 62 -0.316 7.678 -2.358 1.00 0.00 N ATOM 952 CA SER A 62 -1.522 8.107 -1.589 1.00 0.00 C ATOM 953 C SER A 62 -2.628 7.058 -1.728 1.00 0.00 C ATOM 954 O SER A 62 -2.362 5.901 -1.963 1.00 0.00 O ATOM 955 CB SER A 62 -2.017 9.455 -2.125 1.00 0.00 C ATOM 956 OG SER A 62 -3.099 9.239 -3.023 1.00 0.00 O ATOM 0 H SER A 62 -0.231 8.082 -3.291 1.00 0.00 H new ATOM 0 HA SER A 62 -1.260 8.210 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.337 10.092 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.206 9.976 -2.634 1.00 0.00 H new ATOM 0 HG SER A 62 -2.774 9.293 -3.946 1.00 0.00 H new ATOM 962 N PHE A 63 -3.866 7.455 -1.569 1.00 0.00 N ATOM 963 CA PHE A 63 -4.993 6.480 -1.676 1.00 0.00 C ATOM 964 C PHE A 63 -5.330 6.160 -3.119 1.00 0.00 C ATOM 965 O PHE A 63 -5.452 5.024 -3.415 1.00 0.00 O ATOM 966 CB PHE A 63 -6.251 7.018 -1.020 1.00 0.00 C ATOM 967 CG PHE A 63 -7.204 5.877 -1.090 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.902 4.732 -0.374 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.310 5.915 -1.932 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.706 3.610 -0.470 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.123 4.788 -2.049 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.824 3.625 -1.313 1.00 0.00 C ATOM 0 H PHE A 63 -4.145 8.416 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.656 5.577 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.066 7.322 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.634 7.892 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.032 4.714 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.538 6.811 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.472 2.725 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.982 4.807 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.453 2.751 -1.398 1.00 0.00 H new ATOM 982 N GLU A 64 -5.520 7.124 -3.994 1.00 0.00 N ATOM 983 CA GLU A 64 -5.893 6.801 -5.429 1.00 0.00 C ATOM 984 C GLU A 64 -4.779 5.981 -6.108 1.00 0.00 C ATOM 985 O GLU A 64 -5.033 4.940 -6.666 1.00 0.00 O ATOM 986 CB GLU A 64 -6.117 8.102 -6.190 1.00 0.00 C ATOM 987 CG GLU A 64 -7.471 8.678 -5.773 1.00 0.00 C ATOM 988 CD GLU A 64 -7.732 9.982 -6.528 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.794 10.509 -7.103 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.867 10.430 -6.519 1.00 0.00 O ATOM 0 H GLU A 64 -5.435 8.119 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.807 6.207 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.319 8.812 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.097 7.921 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.263 7.960 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.484 8.860 -4.698 1.00 0.00 H new ATOM 997 N GLU A 65 -3.548 6.410 -6.071 1.00 0.00 N ATOM 998 CA GLU A 65 -2.486 5.576 -6.726 1.00 0.00 C ATOM 999 C GLU A 65 -2.559 4.170 -6.116 1.00 0.00 C ATOM 1000 O GLU A 65 -2.444 3.167 -6.793 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.094 6.181 -6.499 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.083 7.031 -5.228 1.00 0.00 C ATOM 1003 CD GLU A 65 -1.281 8.504 -5.597 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.412 9.052 -6.255 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.300 9.059 -5.216 1.00 0.00 O ATOM 0 H GLU A 65 -3.231 7.274 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.652 5.539 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.353 5.385 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.812 6.793 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.874 6.705 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.139 6.901 -4.699 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.800 4.117 -4.839 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.957 2.830 -4.104 1.00 0.00 C ATOM 1014 C PHE A 66 -4.384 2.339 -4.292 1.00 0.00 C ATOM 1015 O PHE A 66 -4.747 1.236 -3.988 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.808 3.173 -2.620 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.559 2.139 -1.852 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.952 2.266 -1.739 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.911 1.002 -1.402 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.688 1.260 -1.163 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.652 -0.021 -0.841 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.038 0.115 -0.725 1.00 0.00 C ATOM 0 H PHE A 66 -2.899 4.944 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.240 2.085 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.757 3.180 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.202 4.168 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.445 3.155 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.838 0.915 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.758 1.359 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.163 -0.920 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.614 -0.686 -0.286 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.215 3.196 -4.645 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.613 2.861 -4.702 1.00 0.00 C ATOM 1034 C GLN A 67 -6.820 1.712 -5.688 1.00 0.00 C ATOM 1035 O GLN A 67 -7.435 0.725 -5.354 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.350 4.168 -5.004 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.590 4.338 -6.491 1.00 0.00 C ATOM 1038 CD GLN A 67 -8.707 3.422 -6.823 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -9.189 3.387 -7.937 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -9.151 2.657 -5.882 1.00 0.00 N ATOM 0 H GLN A 67 -4.987 4.155 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.025 2.472 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.304 4.180 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.768 5.010 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.845 5.370 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.696 4.089 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.735 2.699 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.918 2.011 -6.069 1.00 0.00 H new ATOM 1049 N VAL A 68 -6.284 1.781 -6.860 1.00 0.00 N ATOM 1050 CA VAL A 68 -6.433 0.623 -7.776 1.00 0.00 C ATOM 1051 C VAL A 68 -5.512 -0.489 -7.266 1.00 0.00 C ATOM 1052 O VAL A 68 -5.572 -1.618 -7.701 1.00 0.00 O ATOM 1053 CB VAL A 68 -6.054 1.026 -9.203 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.565 1.366 -9.260 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -6.349 -0.130 -10.160 1.00 0.00 C ATOM 0 H VAL A 68 -5.756 2.573 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.467 0.277 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.638 1.898 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.296 1.653 -10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.354 2.193 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.981 0.495 -8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.078 0.160 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.768 -1.004 -9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.411 -0.371 -10.123 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.685 -0.158 -6.312 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.762 -1.146 -5.689 1.00 0.00 C ATOM 1067 C LEU A 69 -4.559 -2.339 -5.177 1.00 0.00 C ATOM 1068 O LEU A 69 -4.331 -3.474 -5.547 1.00 0.00 O ATOM 1069 CB LEU A 69 -3.094 -0.465 -4.507 1.00 0.00 C ATOM 1070 CG LEU A 69 -2.015 -1.343 -3.982 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.167 -1.933 -5.112 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -1.114 -0.579 -3.015 1.00 0.00 C ATOM 0 H LEU A 69 -4.610 0.784 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.027 -1.490 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.681 0.496 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.827 -0.263 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.500 -2.162 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.389 -2.569 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.801 -2.525 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.706 -1.125 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.333 -1.242 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.658 0.265 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.707 -0.213 -2.177 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.482 -2.071 -4.313 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.329 -3.151 -3.720 1.00 0.00 C ATOM 1086 C VAL A 70 -6.869 -4.081 -4.813 1.00 0.00 C ATOM 1087 O VAL A 70 -6.659 -5.277 -4.775 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.503 -2.517 -2.969 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.079 -2.198 -1.536 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.916 -1.223 -3.672 1.00 0.00 C ATOM 0 H VAL A 70 -5.698 -1.132 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.717 -3.738 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.343 -3.212 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.915 -1.747 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.780 -3.117 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.240 -1.503 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.752 -0.770 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.074 -0.530 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.216 -1.445 -4.696 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.569 -3.554 -5.781 1.00 0.00 N ATOM 1101 CA LYS A 71 -8.118 -4.430 -6.860 1.00 0.00 C ATOM 1102 C LYS A 71 -6.967 -4.956 -7.713 1.00 0.00 C ATOM 1103 O LYS A 71 -7.098 -5.930 -8.427 1.00 0.00 O ATOM 1104 CB LYS A 71 -9.073 -3.625 -7.742 1.00 0.00 C ATOM 1105 CG LYS A 71 -9.791 -2.575 -6.897 1.00 0.00 C ATOM 1106 CD LYS A 71 -11.193 -2.345 -7.458 1.00 0.00 C ATOM 1107 CE LYS A 71 -12.222 -2.490 -6.337 1.00 0.00 C ATOM 1108 NZ LYS A 71 -13.469 -1.769 -6.713 1.00 0.00 N ATOM 0 H LYS A 71 -7.784 -2.561 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.658 -5.264 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.520 -3.142 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.800 -4.290 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.852 -2.906 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.228 -1.642 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.260 -1.351 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.401 -3.063 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.437 -3.544 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.822 -2.086 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.170 -1.867 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.257 -0.762 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.853 -2.174 -7.591 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.838 -4.315 -7.633 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.658 -4.758 -8.423 1.00 0.00 C ATOM 1124 C LYS A 72 -3.861 -5.769 -7.598 1.00 0.00 C ATOM 1125 O LYS A 72 -2.932 -6.386 -8.080 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.777 -3.544 -8.733 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.673 -3.943 -9.716 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.729 -2.756 -9.924 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.562 -3.179 -10.820 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.979 -3.104 -12.248 1.00 0.00 N ATOM 0 H LYS A 72 -5.680 -3.494 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.984 -5.219 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.382 -2.743 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.336 -3.158 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.120 -4.800 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.109 -4.247 -10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.268 -1.925 -10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.354 -2.404 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.297 -2.531 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.250 -4.194 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.186 -3.391 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.786 -3.740 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.256 -2.128 -12.478 1.00 0.00 H new ATOM 1144 N ILE A 73 -4.217 -5.936 -6.353 1.00 0.00 N ATOM 1145 CA ILE A 73 -3.487 -6.895 -5.491 1.00 0.00 C ATOM 1146 C ILE A 73 -4.041 -8.306 -5.709 1.00 0.00 C ATOM 1147 O ILE A 73 -3.731 -9.235 -4.990 1.00 0.00 O ATOM 1148 CB ILE A 73 -3.654 -6.463 -4.027 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -2.706 -5.297 -3.736 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.323 -7.621 -3.090 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -3.311 -4.404 -2.651 1.00 0.00 C ATOM 0 H ILE A 73 -4.987 -5.445 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.427 -6.903 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.688 -6.158 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.737 -5.675 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.535 -4.719 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.446 -7.299 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.994 -8.456 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.292 -7.936 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.635 -3.574 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.270 -4.015 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.459 -4.986 -1.742 1.00 0.00 H new ATOM 1163 N SER A 74 -4.847 -8.476 -6.710 1.00 0.00 N ATOM 1164 CA SER A 74 -5.412 -9.826 -6.985 1.00 0.00 C ATOM 1165 C SER A 74 -6.290 -9.783 -8.238 1.00 0.00 C ATOM 1166 O SER A 74 -6.641 -8.729 -8.731 1.00 0.00 O ATOM 1167 CB SER A 74 -6.250 -10.276 -5.789 1.00 0.00 C ATOM 1168 OG SER A 74 -6.788 -11.565 -6.052 1.00 0.00 O ATOM 0 H SER A 74 -5.142 -7.741 -7.353 1.00 0.00 H new ATOM 0 HA SER A 74 -4.596 -10.530 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.636 -10.302 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.054 -9.564 -5.605 1.00 0.00 H new ATOM 0 HG SER A 74 -7.325 -11.858 -5.286 1.00 0.00 H new ATOM 1174 N GLN A 75 -6.649 -10.929 -8.748 1.00 0.00 N ATOM 1175 CA GLN A 75 -7.508 -10.988 -9.960 1.00 0.00 C ATOM 1176 C GLN A 75 -7.070 -9.929 -10.975 1.00 0.00 C ATOM 1177 O GLN A 75 -6.173 -10.149 -11.765 1.00 0.00 O ATOM 1178 CB GLN A 75 -8.959 -10.746 -9.560 1.00 0.00 C ATOM 1179 CG GLN A 75 -9.575 -12.056 -9.071 1.00 0.00 C ATOM 1180 CD GLN A 75 -10.881 -12.320 -9.822 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -11.765 -11.487 -9.840 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -11.040 -13.453 -10.448 1.00 0.00 N ATOM 1183 OXT GLN A 75 -7.702 -8.787 -10.973 1.00 0.00 O ATOM 0 H GLN A 75 -6.379 -11.837 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.411 -11.972 -10.418 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.011 -9.992 -8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.523 -10.361 -10.410 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.879 -12.879 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.764 -12.003 -7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.298 -14.153 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.907 -13.640 -10.953 1.00 0.00 H new TER 1192 GLN A 75