USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -2.98 K(o=-0.31,f=3.2) USER MOD Set 1.2: A 67 TYR OH : rot 164:sc= 1.78 USER MOD Set 1.3: A 78 THR OG1 : rot -171:sc= 1.05 USER MOD Set 1.4: A 105 HEC O2D : rot 178:sc= -0.154 USER MOD Set 2.1: A 40 THR OG1 : rot 91:sc= 1.69 USER MOD Set 2.2: A 48 TYR OH : rot -15:sc= 0.0559 USER MOD Set 3.1: A 19 THR OG1 : rot 14:sc= 1.14 USER MOD Set 3.2: A 31 ASN : amide:sc= 1 K(o=2.1,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ -132:sc= -0.569 (180deg=-3.81!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 122:sc= 0.795 (180deg=-1.36!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.036) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc=-0.00688 (180deg=-0.161) USER MOD Single : A 16 GLN : amide:sc= -0.0822 K(o=-0.082,f=-2.3!) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 1.11 (180deg=-0.131!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -16:sc= 0.51 USER MOD Single : A 49 THR OG1 : rot 100:sc= 0.145 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 54 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.0059) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.853) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= 1.14 (180deg=-0.683) USER MOD Single : A 63 THR OG1 : rot 70:sc= 0.248 USER MOD Single : A 65 MET CE :methyl -165:sc=-0.00169 (180deg=-0.219) USER MOD Single : A 70 ASN : amide:sc= 1.23 K(o=1.2,f=-0.85) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc=-0.00768 (180deg=-0.156) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.194 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0683 (180deg=-0.0683) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.09) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -131:sc= 1.02 (180deg=-0.113) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.04) USER MOD Single : A 102 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.841 9.946 4.057 1.00 0.00 N ATOM 2 CA GLY A 1 -11.480 9.973 5.471 1.00 0.00 C ATOM 3 C GLY A 1 -11.082 11.403 5.791 1.00 0.00 C ATOM 4 O GLY A 1 -11.657 12.303 5.182 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.749 9.452 3.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.929 10.920 3.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.103 9.447 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.319 9.657 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.657 9.287 5.674 1.00 0.00 H new ATOM 10 N ASP A 2 -10.113 11.590 6.677 1.00 0.00 N ATOM 11 CA ASP A 2 -9.700 12.875 7.231 1.00 0.00 C ATOM 12 C ASP A 2 -8.451 13.424 6.523 1.00 0.00 C ATOM 13 O ASP A 2 -8.096 14.578 6.744 1.00 0.00 O ATOM 14 CB ASP A 2 -9.436 12.692 8.738 1.00 0.00 C ATOM 15 CG ASP A 2 -9.969 13.785 9.658 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.948 14.458 9.276 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.411 13.875 10.774 1.00 0.00 O ATOM 0 H ASP A 2 -9.566 10.813 7.048 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.495 13.604 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.872 11.742 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.359 12.613 8.889 1.00 0.00 H new ATOM 22 N VAL A 3 -7.753 12.597 5.725 1.00 0.00 N ATOM 23 CA VAL A 3 -6.545 12.863 4.939 1.00 0.00 C ATOM 24 C VAL A 3 -5.324 12.976 5.860 1.00 0.00 C ATOM 25 O VAL A 3 -4.350 12.226 5.750 1.00 0.00 O ATOM 26 CB VAL A 3 -6.760 14.079 4.015 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.457 14.685 3.477 1.00 0.00 C ATOM 28 CG2 VAL A 3 -7.659 13.723 2.827 1.00 0.00 C ATOM 0 H VAL A 3 -8.055 11.630 5.606 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.338 12.023 4.276 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.240 14.827 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.689 15.535 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.839 15.018 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.916 13.933 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.791 14.601 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.196 12.925 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.630 13.390 3.193 1.00 0.00 H new ATOM 38 N GLU A 4 -5.403 13.918 6.794 1.00 0.00 N ATOM 39 CA GLU A 4 -4.432 14.155 7.842 1.00 0.00 C ATOM 40 C GLU A 4 -4.351 12.916 8.725 1.00 0.00 C ATOM 41 O GLU A 4 -3.264 12.433 9.042 1.00 0.00 O ATOM 42 CB GLU A 4 -4.894 15.360 8.663 1.00 0.00 C ATOM 43 CG GLU A 4 -4.750 16.686 7.897 1.00 0.00 C ATOM 44 CD GLU A 4 -3.401 17.350 8.135 1.00 0.00 C ATOM 45 OE1 GLU A 4 -3.004 17.468 9.311 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.733 17.675 7.128 1.00 0.00 O ATOM 0 H GLU A 4 -6.189 14.567 6.838 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.447 14.358 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.936 15.222 8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.314 15.412 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.878 16.502 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.545 17.366 8.201 1.00 0.00 H new ATOM 53 N LYS A 5 -5.516 12.384 9.108 1.00 0.00 N ATOM 54 CA LYS A 5 -5.549 11.108 9.791 1.00 0.00 C ATOM 55 C LYS A 5 -4.883 10.063 8.920 1.00 0.00 C ATOM 56 O LYS A 5 -4.039 9.357 9.443 1.00 0.00 O ATOM 57 CB LYS A 5 -6.964 10.668 10.173 1.00 0.00 C ATOM 58 CG LYS A 5 -7.536 11.495 11.330 1.00 0.00 C ATOM 59 CD LYS A 5 -6.904 11.083 12.671 1.00 0.00 C ATOM 60 CE LYS A 5 -7.393 11.974 13.821 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.515 11.373 14.565 1.00 0.00 N ATOM 0 H LYS A 5 -6.428 12.815 8.956 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.005 11.221 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.618 10.760 9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.952 9.615 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.354 12.554 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.617 11.361 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.149 10.043 12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.818 11.146 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.567 12.163 14.506 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.702 12.940 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.807 12.014 15.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.315 11.217 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.215 10.464 14.971 1.00 0.00 H new ATOM 75 N GLY A 6 -5.198 9.968 7.625 1.00 0.00 N ATOM 76 CA GLY A 6 -4.603 8.942 6.771 1.00 0.00 C ATOM 77 C GLY A 6 -3.089 8.936 6.936 1.00 0.00 C ATOM 78 O GLY A 6 -2.505 7.907 7.279 1.00 0.00 O ATOM 0 H GLY A 6 -5.857 10.585 7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.008 7.964 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.862 9.130 5.729 1.00 0.00 H new ATOM 82 N LYS A 7 -2.457 10.102 6.768 1.00 0.00 N ATOM 83 CA LYS A 7 -1.005 10.192 6.836 1.00 0.00 C ATOM 84 C LYS A 7 -0.428 9.902 8.223 1.00 0.00 C ATOM 85 O LYS A 7 0.724 9.487 8.330 1.00 0.00 O ATOM 86 CB LYS A 7 -0.490 11.450 6.132 1.00 0.00 C ATOM 87 CG LYS A 7 -0.464 12.661 7.042 1.00 0.00 C ATOM 88 CD LYS A 7 -0.418 13.953 6.212 1.00 0.00 C ATOM 89 CE LYS A 7 -0.479 15.189 7.120 1.00 0.00 C ATOM 90 NZ LYS A 7 -0.736 16.424 6.355 1.00 0.00 N ATOM 0 H LYS A 7 -2.929 10.988 6.585 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.594 9.365 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.515 11.264 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.121 11.663 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.347 12.663 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.405 12.612 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.496 13.977 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.253 13.970 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.264 15.054 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.461 15.287 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.601 16.879 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.068 17.074 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.857 16.190 5.349 1.00 0.00 H new ATOM 104 N LYS A 8 -1.222 10.073 9.281 1.00 0.00 N ATOM 105 CA LYS A 8 -0.789 9.761 10.634 1.00 0.00 C ATOM 106 C LYS A 8 -0.961 8.282 10.959 1.00 0.00 C ATOM 107 O LYS A 8 -0.041 7.655 11.478 1.00 0.00 O ATOM 108 CB LYS A 8 -1.555 10.629 11.638 1.00 0.00 C ATOM 109 CG LYS A 8 -0.910 12.013 11.769 1.00 0.00 C ATOM 110 CD LYS A 8 0.065 12.079 12.957 1.00 0.00 C ATOM 111 CE LYS A 8 1.235 11.079 12.856 1.00 0.00 C ATOM 112 NZ LYS A 8 2.235 11.256 13.928 1.00 0.00 N ATOM 0 H LYS A 8 -2.176 10.429 9.220 1.00 0.00 H new ATOM 0 HA LYS A 8 0.276 9.983 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.591 10.735 11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.572 10.138 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.378 12.255 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.688 12.766 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.468 13.089 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.485 11.889 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.843 10.063 12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.723 11.194 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.997 10.558 13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.633 12.216 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.780 11.119 14.853 1.00 0.00 H new ATOM 126 N ILE A 9 -2.147 7.739 10.698 1.00 0.00 N ATOM 127 CA ILE A 9 -2.541 6.384 11.046 1.00 0.00 C ATOM 128 C ILE A 9 -1.690 5.433 10.218 1.00 0.00 C ATOM 129 O ILE A 9 -1.172 4.450 10.745 1.00 0.00 O ATOM 130 CB ILE A 9 -4.064 6.239 10.848 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.746 6.698 12.153 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.524 4.826 10.472 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.262 6.853 12.031 1.00 0.00 C ATOM 0 H ILE A 9 -2.886 8.254 10.220 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.361 6.139 12.093 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.350 6.858 9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.525 5.978 12.941 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.316 7.651 12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.607 4.816 10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.053 4.527 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.239 4.129 11.260 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.673 7.178 12.987 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.491 7.595 11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.704 5.896 11.753 1.00 0.00 H new ATOM 145 N PHE A 10 -1.507 5.772 8.939 1.00 0.00 N ATOM 146 CA PHE A 10 -0.565 5.090 8.081 1.00 0.00 C ATOM 147 C PHE A 10 0.788 4.981 8.770 1.00 0.00 C ATOM 148 O PHE A 10 1.246 3.895 9.099 1.00 0.00 O ATOM 149 CB PHE A 10 -0.438 5.863 6.761 1.00 0.00 C ATOM 150 CG PHE A 10 0.673 5.378 5.858 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.512 4.207 5.113 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.954 5.928 5.993 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.625 3.583 4.533 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.077 5.281 5.471 1.00 0.00 C ATOM 155 CZ PHE A 10 2.908 4.119 4.706 1.00 0.00 C ATOM 0 H PHE A 10 -2.013 6.529 8.480 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.922 4.081 7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.383 5.796 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.273 6.917 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.472 3.782 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.076 6.869 6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.493 2.684 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.066 5.673 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.762 3.639 4.252 1.00 0.00 H new ATOM 165 N VAL A 11 1.436 6.114 9.018 1.00 0.00 N ATOM 166 CA VAL A 11 2.756 6.109 9.600 1.00 0.00 C ATOM 167 C VAL A 11 2.747 5.375 10.950 1.00 0.00 C ATOM 168 O VAL A 11 3.708 4.696 11.291 1.00 0.00 O ATOM 169 CB VAL A 11 3.321 7.544 9.631 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.378 7.711 10.719 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.922 7.974 8.283 1.00 0.00 C ATOM 0 H VAL A 11 1.062 7.042 8.822 1.00 0.00 H new ATOM 0 HA VAL A 11 3.449 5.539 8.981 1.00 0.00 H new ATOM 0 HB VAL A 11 2.469 8.187 9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.752 8.735 10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.936 7.496 11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.202 7.022 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.304 8.992 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.736 7.300 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.152 7.935 7.512 1.00 0.00 H new ATOM 181 N GLN A 12 1.657 5.464 11.711 1.00 0.00 N ATOM 182 CA GLN A 12 1.509 4.703 12.938 1.00 0.00 C ATOM 183 C GLN A 12 1.579 3.186 12.698 1.00 0.00 C ATOM 184 O GLN A 12 2.262 2.510 13.463 1.00 0.00 O ATOM 185 CB GLN A 12 0.219 5.125 13.665 1.00 0.00 C ATOM 186 CG GLN A 12 0.495 5.884 14.966 1.00 0.00 C ATOM 187 CD GLN A 12 1.022 4.956 16.057 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.357 3.994 16.426 1.00 0.00 O ATOM 189 NE2 GLN A 12 2.207 5.238 16.592 1.00 0.00 N ATOM 0 H GLN A 12 0.861 6.062 11.492 1.00 0.00 H new ATOM 0 HA GLN A 12 2.354 4.934 13.586 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.378 5.752 13.003 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.376 4.238 13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.221 6.676 14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.421 6.366 15.308 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.736 6.046 16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.587 4.646 17.331 1.00 0.00 H new ATOM 198 N LYS A 13 0.833 2.635 11.723 1.00 0.00 N ATOM 199 CA LYS A 13 0.624 1.177 11.626 1.00 0.00 C ATOM 200 C LYS A 13 1.117 0.531 10.322 1.00 0.00 C ATOM 201 O LYS A 13 0.921 -0.671 10.138 1.00 0.00 O ATOM 202 CB LYS A 13 -0.862 0.844 11.829 1.00 0.00 C ATOM 203 CG LYS A 13 -1.413 1.462 13.123 1.00 0.00 C ATOM 204 CD LYS A 13 -2.657 2.324 12.870 1.00 0.00 C ATOM 205 CE LYS A 13 -3.956 1.535 13.087 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.182 1.236 14.516 1.00 0.00 N ATOM 0 H LYS A 13 0.366 3.174 10.994 1.00 0.00 H new ATOM 0 HA LYS A 13 1.239 0.750 12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.436 1.210 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.991 -0.238 11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.661 0.667 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.640 2.072 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.642 3.187 13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.631 2.707 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.798 2.107 12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.915 0.603 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.180 0.985 14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.578 0.440 14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.947 2.073 15.087 1.00 0.00 H new ATOM 220 N CYS A 14 1.722 1.302 9.419 1.00 0.00 N ATOM 221 CA CYS A 14 2.161 0.853 8.100 1.00 0.00 C ATOM 222 C CYS A 14 3.654 1.175 7.932 1.00 0.00 C ATOM 223 O CYS A 14 4.395 0.356 7.398 1.00 0.00 O ATOM 224 CB CYS A 14 1.375 1.500 6.975 1.00 0.00 C ATOM 225 SG CYS A 14 -0.454 1.573 7.064 1.00 0.00 S ATOM 0 H CYS A 14 1.926 2.286 9.591 1.00 0.00 H new ATOM 0 HA CYS A 14 1.987 -0.221 8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.736 2.523 6.873 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.635 0.977 6.055 1.00 0.00 H new ATOM 230 N ALA A 15 4.123 2.351 8.386 1.00 0.00 N ATOM 231 CA ALA A 15 5.519 2.786 8.227 1.00 0.00 C ATOM 232 C ALA A 15 6.547 1.762 8.687 1.00 0.00 C ATOM 233 O ALA A 15 7.606 1.662 8.078 1.00 0.00 O ATOM 234 CB ALA A 15 5.807 4.068 8.987 1.00 0.00 C ATOM 0 H ALA A 15 3.539 3.029 8.876 1.00 0.00 H new ATOM 0 HA ALA A 15 5.618 2.932 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.849 4.351 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.160 4.863 8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.619 3.911 10.049 1.00 0.00 H new ATOM 240 N GLN A 16 6.251 1.018 9.757 1.00 0.00 N ATOM 241 CA GLN A 16 7.105 -0.057 10.243 1.00 0.00 C ATOM 242 C GLN A 16 7.585 -0.966 9.102 1.00 0.00 C ATOM 243 O GLN A 16 8.694 -1.496 9.147 1.00 0.00 O ATOM 244 CB GLN A 16 6.341 -0.834 11.323 1.00 0.00 C ATOM 245 CG GLN A 16 5.075 -1.534 10.789 1.00 0.00 C ATOM 246 CD GLN A 16 3.830 -1.269 11.627 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.619 -0.160 12.102 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.972 -2.272 11.779 1.00 0.00 N ATOM 0 H GLN A 16 5.405 1.150 10.311 1.00 0.00 H new ATOM 0 HA GLN A 16 8.010 0.365 10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.003 -1.581 11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.059 -0.149 12.123 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.891 -1.203 9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.254 -2.609 10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.176 -3.184 11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.109 -2.130 12.304 1.00 0.00 H new ATOM 257 N CYS A 17 6.734 -1.128 8.087 1.00 0.00 N ATOM 258 CA CYS A 17 6.970 -1.884 6.880 1.00 0.00 C ATOM 259 C CYS A 17 7.241 -0.942 5.689 1.00 0.00 C ATOM 260 O CYS A 17 7.969 -1.334 4.781 1.00 0.00 O ATOM 261 CB CYS A 17 5.786 -2.795 6.648 1.00 0.00 C ATOM 262 SG CYS A 17 5.473 -3.902 8.070 1.00 0.00 S ATOM 0 H CYS A 17 5.807 -0.703 8.098 1.00 0.00 H new ATOM 0 HA CYS A 17 7.863 -2.500 6.984 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.898 -2.192 6.458 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.961 -3.395 5.755 1.00 0.00 H new ATOM 267 N HIS A 18 6.684 0.282 5.677 1.00 0.00 N ATOM 268 CA HIS A 18 6.664 1.178 4.516 1.00 0.00 C ATOM 269 C HIS A 18 7.020 2.632 4.848 1.00 0.00 C ATOM 270 O HIS A 18 6.138 3.487 4.921 1.00 0.00 O ATOM 271 CB HIS A 18 5.246 1.177 3.948 1.00 0.00 C ATOM 272 CG HIS A 18 4.823 -0.135 3.381 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.171 -0.600 2.138 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.779 -0.884 3.846 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.338 -1.606 1.859 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.477 -1.828 2.861 1.00 0.00 N ATOM 0 H HIS A 18 6.225 0.681 6.496 1.00 0.00 H new ATOM 0 HA HIS A 18 7.414 0.808 3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.549 1.463 4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.176 1.937 3.170 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.920 -0.246 1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.280 -0.768 4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.356 -2.171 0.939 1.00 0.00 H new ATOM 284 N THR A 19 8.296 2.974 4.980 1.00 0.00 N ATOM 285 CA THR A 19 8.687 4.331 5.331 1.00 0.00 C ATOM 286 C THR A 19 8.640 5.276 4.115 1.00 0.00 C ATOM 287 O THR A 19 9.687 5.693 3.623 1.00 0.00 O ATOM 288 CB THR A 19 10.083 4.268 5.956 1.00 0.00 C ATOM 289 OG1 THR A 19 10.974 3.598 5.077 1.00 0.00 O ATOM 290 CG2 THR A 19 10.079 3.516 7.290 1.00 0.00 C ATOM 0 H THR A 19 9.076 2.330 4.849 1.00 0.00 H new ATOM 0 HA THR A 19 7.980 4.747 6.049 1.00 0.00 H new ATOM 0 HB THR A 19 10.403 5.295 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.563 3.522 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.089 3.495 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.415 4.022 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.730 2.496 7.131 1.00 0.00 H new ATOM 298 N VAL A 20 7.444 5.592 3.603 1.00 0.00 N ATOM 299 CA VAL A 20 7.218 6.509 2.486 1.00 0.00 C ATOM 300 C VAL A 20 8.078 7.779 2.586 1.00 0.00 C ATOM 301 O VAL A 20 7.880 8.587 3.485 1.00 0.00 O ATOM 302 CB VAL A 20 5.719 6.834 2.340 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.940 5.555 2.023 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.100 7.511 3.572 1.00 0.00 C ATOM 0 H VAL A 20 6.577 5.200 3.971 1.00 0.00 H new ATOM 0 HA VAL A 20 7.539 6.001 1.577 1.00 0.00 H new ATOM 0 HB VAL A 20 5.647 7.552 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.881 5.790 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.308 5.126 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.076 4.836 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.044 7.706 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.203 6.856 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.614 8.452 3.767 1.00 0.00 H new ATOM 314 N GLU A 21 9.024 7.925 1.648 1.00 0.00 N ATOM 315 CA GLU A 21 10.036 8.980 1.577 1.00 0.00 C ATOM 316 C GLU A 21 10.791 8.810 0.242 1.00 0.00 C ATOM 317 O GLU A 21 12.004 8.979 0.171 1.00 0.00 O ATOM 318 CB GLU A 21 10.973 8.897 2.807 1.00 0.00 C ATOM 319 CG GLU A 21 10.736 10.015 3.833 1.00 0.00 C ATOM 320 CD GLU A 21 11.565 9.780 5.091 1.00 0.00 C ATOM 321 OE1 GLU A 21 11.235 8.818 5.819 1.00 0.00 O ATOM 322 OE2 GLU A 21 12.528 10.551 5.291 1.00 0.00 O ATOM 0 H GLU A 21 9.105 7.268 0.872 1.00 0.00 H new ATOM 0 HA GLU A 21 9.584 9.972 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.835 7.932 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.008 8.938 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.997 10.978 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.678 10.059 4.092 1.00 0.00 H new ATOM 329 N LYS A 22 10.058 8.422 -0.816 1.00 0.00 N ATOM 330 CA LYS A 22 10.569 8.071 -2.144 1.00 0.00 C ATOM 331 C LYS A 22 11.989 7.471 -2.136 1.00 0.00 C ATOM 332 O LYS A 22 12.921 8.065 -2.672 1.00 0.00 O ATOM 333 CB LYS A 22 10.507 9.281 -3.080 1.00 0.00 C ATOM 334 CG LYS A 22 9.109 9.874 -3.312 1.00 0.00 C ATOM 335 CD LYS A 22 9.133 10.650 -4.643 1.00 10.00 C ATOM 336 CE LYS A 22 8.285 11.931 -4.669 1.00 10.00 C ATOM 337 NZ LYS A 22 6.867 11.743 -4.327 1.00 10.00 N ATOM 0 H LYS A 22 9.043 8.342 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 22 9.914 7.282 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.150 10.063 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.924 8.992 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.361 9.082 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.835 10.536 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.166 10.912 -4.874 1.00 10.00 H new ATOM 0 HD3 LYS A 22 8.787 9.988 -5.437 1.00 10.00 H new ATOM 0 HE2 LYS A 22 8.719 12.650 -3.974 1.00 10.00 H new ATOM 0 HE3 LYS A 22 8.348 12.371 -5.664 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 6.293 12.451 -4.827 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 6.565 10.789 -4.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 6.740 11.855 -3.301 1.00 10.00 H new ATOM 351 N GLY A 23 12.136 6.266 -1.574 1.00 0.00 N ATOM 352 CA GLY A 23 13.413 5.561 -1.502 1.00 0.00 C ATOM 353 C GLY A 23 13.870 5.427 -0.052 1.00 0.00 C ATOM 354 O GLY A 23 14.955 5.875 0.308 1.00 0.00 O ATOM 0 H GLY A 23 11.362 5.751 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.315 4.573 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.165 6.100 -2.078 1.00 0.00 H new ATOM 358 N GLY A 24 13.037 4.786 0.771 1.00 0.00 N ATOM 359 CA GLY A 24 13.361 4.468 2.152 1.00 0.00 C ATOM 360 C GLY A 24 14.090 3.126 2.210 1.00 0.00 C ATOM 361 O GLY A 24 15.056 2.910 1.481 1.00 0.00 O ATOM 0 H GLY A 24 12.109 4.472 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.986 5.252 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.450 4.425 2.749 1.00 0.00 H new ATOM 365 N LYS A 25 13.630 2.211 3.069 1.00 0.00 N ATOM 366 CA LYS A 25 14.099 0.833 3.101 1.00 0.00 C ATOM 367 C LYS A 25 12.942 -0.055 2.653 1.00 0.00 C ATOM 368 O LYS A 25 11.784 0.341 2.756 1.00 0.00 O ATOM 369 CB LYS A 25 14.598 0.447 4.505 1.00 0.00 C ATOM 370 CG LYS A 25 16.046 0.886 4.777 1.00 0.00 C ATOM 371 CD LYS A 25 16.176 2.364 5.171 1.00 0.00 C ATOM 372 CE LYS A 25 17.658 2.746 5.300 1.00 0.00 C ATOM 373 NZ LYS A 25 17.838 4.124 5.803 1.00 0.00 N ATOM 0 H LYS A 25 12.914 2.414 3.767 1.00 0.00 H new ATOM 0 HA LYS A 25 14.949 0.705 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.943 0.896 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.525 -0.634 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.461 0.268 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.646 0.702 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.694 2.992 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.662 2.543 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.154 2.047 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.142 2.650 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.853 4.338 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.388 4.794 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.400 4.211 6.742 1.00 0.00 H new ATOM 387 N HIS A 26 13.267 -1.243 2.136 1.00 0.00 N ATOM 388 CA HIS A 26 12.291 -2.176 1.589 1.00 0.00 C ATOM 389 C HIS A 26 12.342 -3.487 2.369 1.00 0.00 C ATOM 390 O HIS A 26 12.542 -4.554 1.795 1.00 0.00 O ATOM 391 CB HIS A 26 12.551 -2.409 0.099 1.00 0.00 C ATOM 392 CG HIS A 26 12.731 -1.141 -0.704 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.888 -0.395 -0.772 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.792 -0.504 -1.473 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.639 0.677 -1.541 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.374 0.658 -1.988 1.00 0.00 N ATOM 0 H HIS A 26 14.227 -1.583 2.087 1.00 0.00 H new ATOM 0 HA HIS A 26 11.292 -1.752 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.444 -3.025 -0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.719 -2.976 -0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.781 -0.840 -1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.359 1.449 -1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.926 1.353 -2.585 1.00 0.00 H new ATOM 404 N LYS A 27 12.242 -3.396 3.695 1.00 0.00 N ATOM 405 CA LYS A 27 12.553 -4.520 4.568 1.00 0.00 C ATOM 406 C LYS A 27 11.367 -5.479 4.639 1.00 0.00 C ATOM 407 O LYS A 27 11.429 -6.582 4.100 1.00 0.00 O ATOM 408 CB LYS A 27 13.014 -4.019 5.950 1.00 0.00 C ATOM 409 CG LYS A 27 13.569 -5.143 6.841 1.00 0.00 C ATOM 410 CD LYS A 27 14.952 -5.621 6.368 1.00 0.00 C ATOM 411 CE LYS A 27 15.484 -6.749 7.262 1.00 0.00 C ATOM 412 NZ LYS A 27 16.819 -7.214 6.828 1.00 0.00 N ATOM 0 H LYS A 27 11.947 -2.552 4.186 1.00 0.00 H new ATOM 0 HA LYS A 27 13.387 -5.086 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.781 -3.256 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.175 -3.542 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.640 -4.789 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.875 -5.983 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.886 -5.970 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.652 -4.785 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.539 -6.400 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.785 -7.585 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.143 -7.976 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.762 -7.571 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.492 -6.422 6.868 1.00 0.00 H new ATOM 426 N THR A 28 10.297 -5.062 5.315 1.00 0.00 N ATOM 427 CA THR A 28 9.097 -5.867 5.499 1.00 0.00 C ATOM 428 C THR A 28 7.976 -5.339 4.602 1.00 0.00 C ATOM 429 O THR A 28 6.822 -5.677 4.816 1.00 0.00 O ATOM 430 CB THR A 28 8.702 -5.861 6.989 1.00 0.00 C ATOM 431 OG1 THR A 28 9.869 -5.851 7.794 1.00 0.00 O ATOM 432 CG2 THR A 28 7.881 -7.099 7.376 1.00 0.00 C ATOM 0 H THR A 28 10.242 -4.143 5.755 1.00 0.00 H new ATOM 0 HA THR A 28 9.286 -6.900 5.208 1.00 0.00 H new ATOM 0 HB THR A 28 8.097 -4.969 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.614 -5.845 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.626 -7.050 8.435 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.966 -7.129 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.467 -7.998 7.185 1.00 0.00 H new ATOM 440 N GLY A 29 8.290 -4.517 3.600 1.00 0.00 N ATOM 441 CA GLY A 29 7.309 -3.824 2.794 1.00 0.00 C ATOM 442 C GLY A 29 8.121 -2.948 1.857 1.00 0.00 C ATOM 443 O GLY A 29 9.107 -2.363 2.300 1.00 0.00 O ATOM 0 H GLY A 29 9.253 -4.317 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.687 -4.526 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.640 -3.226 3.413 1.00 0.00 H new ATOM 447 N PRO A 30 7.816 -2.906 0.557 1.00 0.00 N ATOM 448 CA PRO A 30 8.505 -2.012 -0.340 1.00 0.00 C ATOM 449 C PRO A 30 7.983 -0.601 -0.086 1.00 0.00 C ATOM 450 O PRO A 30 6.775 -0.378 -0.047 1.00 0.00 O ATOM 451 CB PRO A 30 8.209 -2.520 -1.750 1.00 0.00 C ATOM 452 CG PRO A 30 6.897 -3.293 -1.604 1.00 0.00 C ATOM 453 CD PRO A 30 6.792 -3.666 -0.127 1.00 0.00 C ATOM 0 HA PRO A 30 9.585 -1.982 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.109 -1.696 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.010 -3.161 -2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.048 -2.683 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.896 -4.184 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.803 -3.427 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.942 -4.736 0.015 1.00 0.00 H new ATOM 461 N ASN A 31 8.893 0.351 0.120 1.00 0.00 N ATOM 462 CA ASN A 31 8.570 1.766 0.239 1.00 0.00 C ATOM 463 C ASN A 31 7.622 2.165 -0.897 1.00 0.00 C ATOM 464 O ASN A 31 7.909 1.846 -2.050 1.00 0.00 O ATOM 465 CB ASN A 31 9.876 2.573 0.171 1.00 0.00 C ATOM 466 CG ASN A 31 9.983 3.563 1.316 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.207 3.174 2.456 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.873 4.853 1.026 1.00 0.00 N ATOM 0 H ASN A 31 9.890 0.154 0.210 1.00 0.00 H new ATOM 0 HA ASN A 31 8.074 1.970 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.727 1.892 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.925 3.107 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.975 5.552 1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.686 5.146 0.067 1.00 0.00 H new ATOM 475 N LEU A 32 6.497 2.828 -0.595 1.00 0.00 N ATOM 476 CA LEU A 32 5.415 3.041 -1.560 1.00 0.00 C ATOM 477 C LEU A 32 5.753 4.171 -2.547 1.00 0.00 C ATOM 478 O LEU A 32 5.038 5.166 -2.664 1.00 0.00 O ATOM 479 CB LEU A 32 4.079 3.301 -0.839 1.00 0.00 C ATOM 480 CG LEU A 32 3.708 2.285 0.254 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.398 2.699 0.933 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.509 0.885 -0.332 1.00 0.00 C ATOM 0 H LEU A 32 6.314 3.230 0.324 1.00 0.00 H new ATOM 0 HA LEU A 32 5.306 2.127 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.115 4.294 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.282 3.316 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 32 4.528 2.267 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.143 1.973 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.518 3.684 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.600 2.735 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.248 0.190 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.706 0.910 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.431 0.557 -0.811 1.00 0.00 H new ATOM 494 N HIS A 33 6.855 4.015 -3.277 1.00 0.00 N ATOM 495 CA HIS A 33 7.356 4.984 -4.229 1.00 0.00 C ATOM 496 C HIS A 33 6.499 4.930 -5.497 1.00 0.00 C ATOM 497 O HIS A 33 6.879 4.314 -6.493 1.00 0.00 O ATOM 498 CB HIS A 33 8.844 4.701 -4.481 1.00 0.00 C ATOM 499 CG HIS A 33 9.542 5.656 -5.420 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.734 5.409 -6.064 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.136 6.916 -5.776 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.033 6.497 -6.795 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.089 7.442 -6.651 1.00 0.00 N ATOM 0 H HIS A 33 7.438 3.180 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 33 7.283 6.002 -3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.365 4.716 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.940 3.692 -4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.238 7.414 -5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.912 6.598 -7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.072 8.361 -7.093 1.00 0.00 H new ATOM 511 N GLY A 34 5.341 5.590 -5.449 1.00 0.00 N ATOM 512 CA GLY A 34 4.531 5.909 -6.615 1.00 0.00 C ATOM 513 C GLY A 34 3.118 5.361 -6.475 1.00 0.00 C ATOM 514 O GLY A 34 2.177 6.132 -6.293 1.00 0.00 O ATOM 0 H GLY A 34 4.935 5.924 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.492 6.990 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.997 5.494 -7.509 1.00 0.00 H new ATOM 518 N LEU A 35 2.964 4.038 -6.571 1.00 0.00 N ATOM 519 CA LEU A 35 1.684 3.346 -6.584 1.00 0.00 C ATOM 520 C LEU A 35 0.804 3.841 -7.738 1.00 0.00 C ATOM 521 O LEU A 35 0.779 3.238 -8.807 1.00 0.00 O ATOM 522 CB LEU A 35 0.979 3.478 -5.226 1.00 0.00 C ATOM 523 CG LEU A 35 1.399 2.429 -4.191 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.915 2.225 -4.113 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.845 2.890 -2.839 1.00 0.00 C ATOM 0 H LEU A 35 3.758 3.402 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 35 1.868 2.285 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.179 4.470 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.098 3.408 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 35 0.996 1.460 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.142 1.469 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.288 1.896 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.395 3.165 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.121 2.170 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.261 3.866 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.241 2.962 -2.896 1.00 0.00 H new ATOM 537 N PHE A 36 0.106 4.953 -7.518 1.00 0.00 N ATOM 538 CA PHE A 36 -0.839 5.555 -8.442 1.00 0.00 C ATOM 539 C PHE A 36 -0.158 5.803 -9.779 1.00 0.00 C ATOM 540 O PHE A 36 0.692 6.683 -9.883 1.00 0.00 O ATOM 541 CB PHE A 36 -1.377 6.856 -7.839 1.00 0.00 C ATOM 542 CG PHE A 36 -2.156 6.639 -6.557 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.511 6.270 -6.623 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.495 6.636 -5.313 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.198 5.914 -5.452 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.190 6.279 -4.146 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.556 5.966 -4.210 1.00 0.00 C ATOM 0 H PHE A 36 0.191 5.480 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.680 4.882 -8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.543 7.530 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.019 7.349 -8.568 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.023 6.260 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.452 6.909 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.229 5.598 -5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.672 6.245 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.110 5.766 -3.304 1.00 0.00 H new ATOM 557 N GLY A 37 -0.511 5.010 -10.793 1.00 0.00 N ATOM 558 CA GLY A 37 0.073 5.166 -12.121 1.00 0.00 C ATOM 559 C GLY A 37 1.344 4.333 -12.320 1.00 0.00 C ATOM 560 O GLY A 37 1.731 4.085 -13.461 1.00 0.00 O ATOM 0 H GLY A 37 -1.195 4.257 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.664 4.879 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.305 6.218 -12.288 1.00 0.00 H new ATOM 564 N ARG A 38 1.997 3.878 -11.245 1.00 0.00 N ATOM 565 CA ARG A 38 3.192 3.055 -11.354 1.00 0.00 C ATOM 566 C ARG A 38 2.762 1.591 -11.413 1.00 0.00 C ATOM 567 O ARG A 38 2.316 1.030 -10.414 1.00 0.00 O ATOM 568 CB ARG A 38 4.176 3.333 -10.200 1.00 0.00 C ATOM 569 CG ARG A 38 5.618 3.273 -10.732 1.00 0.00 C ATOM 570 CD ARG A 38 6.671 3.356 -9.617 1.00 0.00 C ATOM 571 NE ARG A 38 6.767 2.106 -8.838 1.00 0.00 N ATOM 572 CZ ARG A 38 7.319 0.960 -9.277 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.931 0.929 -10.467 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.265 -0.153 -8.536 1.00 0.00 N ATOM 0 H ARG A 38 1.710 4.071 -10.286 1.00 0.00 H new ATOM 0 HA ARG A 38 3.733 3.303 -12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.977 4.313 -9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.039 2.599 -9.406 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.757 2.345 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.775 4.091 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.643 3.583 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.423 4.180 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 38 6.385 2.111 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.978 1.773 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.350 0.062 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.802 -0.139 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.687 -1.016 -8.880 1.00 0.00 H new ATOM 588 N LYS A 39 2.881 0.973 -12.591 1.00 0.00 N ATOM 589 CA LYS A 39 2.594 -0.442 -12.773 1.00 0.00 C ATOM 590 C LYS A 39 3.298 -1.290 -11.701 1.00 0.00 C ATOM 591 O LYS A 39 4.518 -1.193 -11.559 1.00 0.00 O ATOM 592 CB LYS A 39 2.944 -0.880 -14.203 1.00 0.00 C ATOM 593 CG LYS A 39 4.401 -0.586 -14.601 1.00 0.00 C ATOM 594 CD LYS A 39 4.465 0.291 -15.860 1.00 0.00 C ATOM 595 CE LYS A 39 5.911 0.742 -16.117 1.00 0.00 C ATOM 596 NZ LYS A 39 6.034 1.560 -17.342 1.00 0.00 N ATOM 0 H LYS A 39 3.180 1.446 -13.444 1.00 0.00 H new ATOM 0 HA LYS A 39 1.525 -0.606 -12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.759 -1.950 -14.302 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.277 -0.375 -14.902 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.912 -0.085 -13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.928 -1.523 -14.780 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.091 -0.265 -16.720 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.820 1.162 -15.739 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.268 1.316 -15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.553 -0.135 -16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.027 1.841 -17.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.719 1.005 -18.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.443 2.411 -17.252 1.00 0.00 H new ATOM 610 N THR A 40 2.544 -2.091 -10.937 1.00 0.00 N ATOM 611 CA THR A 40 3.151 -3.075 -10.046 1.00 0.00 C ATOM 612 C THR A 40 3.460 -4.342 -10.842 1.00 0.00 C ATOM 613 O THR A 40 3.575 -4.318 -12.066 1.00 0.00 O ATOM 614 CB THR A 40 2.269 -3.337 -8.821 1.00 0.00 C ATOM 615 OG1 THR A 40 2.971 -4.086 -7.846 1.00 0.00 O ATOM 616 CG2 THR A 40 0.987 -4.104 -9.129 1.00 0.00 C ATOM 0 H THR A 40 1.524 -2.074 -10.921 1.00 0.00 H new ATOM 0 HA THR A 40 4.090 -2.687 -9.651 1.00 0.00 H new ATOM 0 HB THR A 40 2.002 -2.344 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.424 -3.475 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.420 -4.248 -8.210 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.386 -3.538 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.238 -5.075 -9.557 1.00 0.00 H new ATOM 624 N GLY A 41 3.576 -5.461 -10.133 1.00 0.00 N ATOM 625 CA GLY A 41 3.918 -6.746 -10.705 1.00 0.00 C ATOM 626 C GLY A 41 5.325 -6.703 -11.310 1.00 0.00 C ATOM 627 O GLY A 41 5.636 -7.486 -12.206 1.00 0.00 O ATOM 0 H GLY A 41 3.430 -5.493 -9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.869 -7.518 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.193 -7.014 -11.473 1.00 0.00 H new ATOM 631 N GLN A 42 6.182 -5.795 -10.819 1.00 0.00 N ATOM 632 CA GLN A 42 7.540 -5.601 -11.292 1.00 0.00 C ATOM 633 C GLN A 42 8.218 -4.545 -10.409 1.00 0.00 C ATOM 634 O GLN A 42 7.908 -3.355 -10.497 1.00 0.00 O ATOM 635 CB GLN A 42 7.584 -5.189 -12.779 1.00 0.00 C ATOM 636 CG GLN A 42 8.886 -5.687 -13.417 1.00 0.00 C ATOM 637 CD GLN A 42 9.131 -5.047 -14.779 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.794 -4.019 -14.873 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.613 -5.643 -15.849 1.00 0.00 N ATOM 0 H GLN A 42 5.931 -5.162 -10.059 1.00 0.00 H new ATOM 0 HA GLN A 42 8.076 -6.547 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.727 -5.606 -13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.516 -4.105 -12.868 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.723 -5.465 -12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.846 -6.771 -13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.066 -6.497 -15.742 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.763 -5.246 -16.777 1.00 0.00 H new ATOM 648 N ALA A 43 9.155 -4.971 -9.562 1.00 0.00 N ATOM 649 CA ALA A 43 10.094 -4.075 -8.895 1.00 0.00 C ATOM 650 C ALA A 43 11.511 -4.620 -9.080 1.00 0.00 C ATOM 651 O ALA A 43 11.691 -5.835 -9.058 1.00 0.00 O ATOM 652 CB ALA A 43 9.760 -3.957 -7.407 1.00 0.00 C ATOM 0 H ALA A 43 9.283 -5.953 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 43 10.022 -3.080 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.471 -3.285 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.751 -3.561 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.820 -4.941 -6.942 1.00 0.00 H new ATOM 658 N PRO A 44 12.528 -3.766 -9.261 1.00 0.00 N ATOM 659 CA PRO A 44 13.901 -4.228 -9.270 1.00 0.00 C ATOM 660 C PRO A 44 14.246 -4.793 -7.886 1.00 0.00 C ATOM 661 O PRO A 44 13.803 -4.275 -6.859 1.00 0.00 O ATOM 662 CB PRO A 44 14.742 -3.008 -9.657 1.00 0.00 C ATOM 663 CG PRO A 44 13.894 -1.823 -9.193 1.00 0.00 C ATOM 664 CD PRO A 44 12.458 -2.318 -9.368 1.00 0.00 C ATOM 0 HA PRO A 44 14.089 -5.035 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.715 -3.020 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.926 -2.973 -10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.104 -1.561 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.087 -0.933 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.803 -1.900 -8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.054 -2.015 -10.334 1.00 0.00 H new ATOM 672 N GLY A 45 15.011 -5.884 -7.855 1.00 0.00 N ATOM 673 CA GLY A 45 15.378 -6.552 -6.619 1.00 0.00 C ATOM 674 C GLY A 45 14.186 -7.292 -6.012 1.00 0.00 C ATOM 675 O GLY A 45 14.018 -8.489 -6.237 1.00 0.00 O ATOM 0 H GLY A 45 15.392 -6.326 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.187 -7.257 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.756 -5.820 -5.906 1.00 0.00 H new ATOM 679 N PHE A 46 13.368 -6.593 -5.222 1.00 0.00 N ATOM 680 CA PHE A 46 12.334 -7.216 -4.399 1.00 0.00 C ATOM 681 C PHE A 46 10.969 -7.086 -5.068 1.00 0.00 C ATOM 682 O PHE A 46 10.132 -6.290 -4.647 1.00 0.00 O ATOM 683 CB PHE A 46 12.350 -6.628 -2.978 1.00 0.00 C ATOM 684 CG PHE A 46 11.236 -7.109 -2.056 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.863 -8.468 -2.016 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.476 -6.164 -1.337 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.716 -8.865 -1.304 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.353 -6.573 -0.601 1.00 0.00 C ATOM 689 CZ PHE A 46 8.966 -7.920 -0.587 1.00 0.00 C ATOM 0 H PHE A 46 13.406 -5.577 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 46 12.544 -8.281 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.308 -6.866 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.293 -5.542 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.459 -9.206 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.759 -5.122 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.412 -9.901 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.784 -5.845 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.095 -8.229 -0.028 1.00 0.00 H new ATOM 699 N THR A 47 10.702 -7.913 -6.081 1.00 0.00 N ATOM 700 CA THR A 47 9.384 -7.955 -6.707 1.00 0.00 C ATOM 701 C THR A 47 8.417 -8.842 -5.912 1.00 0.00 C ATOM 702 O THR A 47 7.700 -9.664 -6.472 1.00 0.00 O ATOM 703 CB THR A 47 9.510 -8.244 -8.212 1.00 0.00 C ATOM 704 OG1 THR A 47 8.413 -7.711 -8.939 1.00 0.00 O ATOM 705 CG2 THR A 47 9.760 -9.708 -8.565 1.00 0.00 C ATOM 0 H THR A 47 11.381 -8.560 -6.483 1.00 0.00 H new ATOM 0 HA THR A 47 8.912 -6.973 -6.665 1.00 0.00 H new ATOM 0 HB THR A 47 10.417 -7.724 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.681 -7.503 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.834 -9.814 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.690 -10.040 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.934 -10.317 -8.197 1.00 0.00 H new ATOM 713 N TYR A 48 8.333 -8.603 -4.599 1.00 0.00 N ATOM 714 CA TYR A 48 7.294 -9.172 -3.749 1.00 0.00 C ATOM 715 C TYR A 48 7.269 -10.714 -3.809 1.00 0.00 C ATOM 716 O TYR A 48 8.268 -11.350 -4.141 1.00 0.00 O ATOM 717 CB TYR A 48 5.931 -8.516 -4.054 1.00 0.00 C ATOM 718 CG TYR A 48 5.919 -7.351 -5.027 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.488 -6.108 -4.692 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.416 -7.557 -6.320 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.582 -5.093 -5.663 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.452 -6.523 -7.260 1.00 0.00 C ATOM 723 CZ TYR A 48 6.029 -5.293 -6.940 1.00 0.00 C ATOM 724 OH TYR A 48 6.204 -4.389 -7.946 1.00 0.00 O ATOM 0 H TYR A 48 8.990 -8.005 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 48 7.531 -8.939 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.266 -9.287 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.504 -8.172 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.852 -5.933 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.000 -8.516 -6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.078 -4.163 -5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.030 -6.677 -8.242 1.00 0.00 H new ATOM 0 HH TYR A 48 6.530 -3.543 -7.573 1.00 0.00 H new ATOM 734 N THR A 49 6.134 -11.315 -3.447 1.00 0.00 N ATOM 735 CA THR A 49 5.782 -12.707 -3.701 1.00 0.00 C ATOM 736 C THR A 49 5.068 -12.842 -5.045 1.00 0.00 C ATOM 737 O THR A 49 4.338 -11.929 -5.409 1.00 0.00 O ATOM 738 CB THR A 49 4.801 -13.135 -2.603 1.00 0.00 C ATOM 739 OG1 THR A 49 4.012 -12.028 -2.167 1.00 0.00 O ATOM 740 CG2 THR A 49 5.601 -13.658 -1.419 1.00 0.00 C ATOM 0 H THR A 49 5.401 -10.816 -2.944 1.00 0.00 H new ATOM 0 HA THR A 49 6.684 -13.319 -3.712 1.00 0.00 H new ATOM 0 HB THR A 49 4.138 -13.904 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.132 -12.064 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.919 -13.967 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.202 -14.511 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.256 -12.871 -1.046 1.00 0.00 H new ATOM 748 N ASP A 50 5.174 -14.003 -5.708 1.00 0.00 N ATOM 749 CA ASP A 50 4.456 -14.375 -6.938 1.00 0.00 C ATOM 750 C ASP A 50 2.997 -13.946 -6.932 1.00 0.00 C ATOM 751 O ASP A 50 2.505 -13.448 -7.935 1.00 0.00 O ATOM 752 CB ASP A 50 4.579 -15.880 -7.195 1.00 0.00 C ATOM 753 CG ASP A 50 5.866 -16.180 -7.947 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.910 -15.839 -9.150 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.791 -16.701 -7.291 1.00 0.00 O ATOM 0 H ASP A 50 5.794 -14.746 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 50 4.931 -13.831 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.568 -16.420 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.722 -16.229 -7.771 1.00 0.00 H new ATOM 760 N ALA A 51 2.293 -14.100 -5.816 1.00 0.00 N ATOM 761 CA ALA A 51 0.891 -13.717 -5.737 1.00 0.00 C ATOM 762 C ALA A 51 0.691 -12.229 -6.028 1.00 0.00 C ATOM 763 O ALA A 51 -0.323 -11.842 -6.605 1.00 0.00 O ATOM 764 CB ALA A 51 0.345 -14.105 -4.362 1.00 0.00 C ATOM 0 H ALA A 51 2.673 -14.488 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 51 0.333 -14.252 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.705 -13.821 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.440 -15.182 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.911 -13.588 -3.587 1.00 0.00 H new ATOM 770 N ASN A 52 1.662 -11.398 -5.639 1.00 0.00 N ATOM 771 CA ASN A 52 1.634 -9.970 -5.933 1.00 0.00 C ATOM 772 C ASN A 52 2.310 -9.649 -7.264 1.00 0.00 C ATOM 773 O ASN A 52 1.822 -8.827 -8.036 1.00 0.00 O ATOM 774 CB ASN A 52 2.287 -9.193 -4.792 1.00 0.00 C ATOM 775 CG ASN A 52 1.345 -8.111 -4.306 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.063 -7.157 -5.023 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.827 -8.279 -3.098 1.00 0.00 N ATOM 0 H ASN A 52 2.484 -11.698 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 52 0.591 -9.665 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.533 -9.869 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.223 -8.749 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.163 -7.598 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.092 -9.089 -2.538 1.00 0.00 H new ATOM 784 N LYS A 53 3.425 -10.317 -7.557 1.00 0.00 N ATOM 785 CA LYS A 53 4.158 -10.170 -8.808 1.00 0.00 C ATOM 786 C LYS A 53 3.214 -10.467 -9.976 1.00 0.00 C ATOM 787 O LYS A 53 3.246 -9.802 -11.009 1.00 0.00 O ATOM 788 CB LYS A 53 5.414 -11.052 -8.764 1.00 0.00 C ATOM 789 CG LYS A 53 5.974 -11.525 -10.110 1.00 0.00 C ATOM 790 CD LYS A 53 6.496 -10.339 -10.930 1.00 0.00 C ATOM 791 CE LYS A 53 6.772 -10.718 -12.390 1.00 0.00 C ATOM 792 NZ LYS A 53 7.775 -11.796 -12.507 1.00 0.00 N ATOM 0 H LYS A 53 3.850 -10.988 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 53 4.512 -9.149 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.198 -10.501 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.190 -11.932 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.780 -12.240 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.197 -12.046 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.767 -9.529 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.412 -9.961 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.843 -11.036 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.121 -9.839 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.992 -11.961 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.643 -11.518 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.397 -12.669 -12.087 1.00 0.00 H new ATOM 806 N ASN A 54 2.344 -11.455 -9.782 1.00 0.00 N ATOM 807 CA ASN A 54 1.302 -11.846 -10.710 1.00 0.00 C ATOM 808 C ASN A 54 0.367 -10.676 -11.046 1.00 0.00 C ATOM 809 O ASN A 54 -0.210 -10.647 -12.128 1.00 0.00 O ATOM 810 CB ASN A 54 0.486 -12.993 -10.101 1.00 0.00 C ATOM 811 CG ASN A 54 -0.702 -13.387 -10.970 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.832 -12.989 -10.706 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.463 -14.196 -11.999 1.00 0.00 N ATOM 0 H ASN A 54 2.352 -12.025 -8.936 1.00 0.00 H new ATOM 0 HA ASN A 54 1.779 -12.167 -11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.132 -13.859 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.129 -12.697 -9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.231 -14.503 -12.595 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.489 -14.509 -12.191 1.00 0.00 H new ATOM 820 N LYS A 55 0.160 -9.752 -10.097 1.00 0.00 N ATOM 821 CA LYS A 55 -0.978 -8.839 -10.122 1.00 0.00 C ATOM 822 C LYS A 55 -0.928 -7.901 -11.332 1.00 0.00 C ATOM 823 O LYS A 55 -1.925 -7.746 -12.034 1.00 0.00 O ATOM 824 CB LYS A 55 -1.079 -8.055 -8.799 1.00 0.00 C ATOM 825 CG LYS A 55 -2.531 -7.643 -8.512 1.00 0.00 C ATOM 826 CD LYS A 55 -3.266 -8.757 -7.754 1.00 0.00 C ATOM 827 CE LYS A 55 -4.765 -8.792 -8.084 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.485 -9.856 -7.345 1.00 0.00 N ATOM 0 H LYS A 55 0.778 -9.621 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.882 -9.439 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.702 -8.667 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.449 -7.167 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.545 -6.725 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.047 -7.431 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.819 -9.719 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.135 -8.612 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.209 -7.825 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.894 -8.947 -9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.431 -9.985 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.953 -10.747 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.577 -9.583 -6.346 1.00 0.00 H new ATOM 842 N GLY A 56 0.218 -7.248 -11.550 1.00 0.00 N ATOM 843 CA GLY A 56 0.462 -6.400 -12.715 1.00 0.00 C ATOM 844 C GLY A 56 -0.578 -5.290 -12.911 1.00 0.00 C ATOM 845 O GLY A 56 -0.873 -4.910 -14.042 1.00 0.00 O ATOM 0 H GLY A 56 1.012 -7.296 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.448 -5.946 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.483 -7.025 -13.608 1.00 0.00 H new ATOM 849 N ILE A 57 -1.113 -4.753 -11.812 1.00 0.00 N ATOM 850 CA ILE A 57 -2.023 -3.612 -11.818 1.00 0.00 C ATOM 851 C ILE A 57 -1.211 -2.312 -11.821 1.00 0.00 C ATOM 852 O ILE A 57 -0.041 -2.313 -12.195 1.00 0.00 O ATOM 853 CB ILE A 57 -2.983 -3.709 -10.619 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.213 -3.783 -9.293 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.940 -4.892 -10.819 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.070 -3.438 -8.085 1.00 0.00 C ATOM 0 H ILE A 57 -0.920 -5.109 -10.876 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.635 -3.616 -12.720 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.585 -2.802 -10.564 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.810 -4.788 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.363 -3.102 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.619 -4.959 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.516 -4.744 -11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.366 -5.815 -10.898 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.468 -3.509 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.452 -2.422 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.905 -4.135 -8.020 1.00 0.00 H new ATOM 868 N THR A 58 -1.801 -1.186 -11.406 1.00 0.00 N ATOM 869 CA THR A 58 -1.186 0.126 -11.444 1.00 0.00 C ATOM 870 C THR A 58 -1.574 0.905 -10.177 1.00 0.00 C ATOM 871 O THR A 58 -1.851 2.101 -10.242 1.00 0.00 O ATOM 872 CB THR A 58 -1.646 0.749 -12.771 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.405 -0.169 -13.824 1.00 0.00 O ATOM 874 CG2 THR A 58 -0.926 2.038 -13.119 1.00 0.00 C ATOM 0 H THR A 58 -2.747 -1.172 -11.025 1.00 0.00 H new ATOM 0 HA THR A 58 -0.096 0.118 -11.429 1.00 0.00 H new ATOM 0 HB THR A 58 -2.705 0.977 -12.649 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.698 0.223 -14.673 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.302 2.420 -14.068 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.101 2.775 -12.336 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.144 1.846 -13.204 1.00 0.00 H new ATOM 882 N TRP A 59 -1.608 0.176 -9.047 1.00 0.00 N ATOM 883 CA TRP A 59 -1.984 0.606 -7.699 1.00 0.00 C ATOM 884 C TRP A 59 -2.760 1.917 -7.680 1.00 0.00 C ATOM 885 O TRP A 59 -2.283 2.936 -7.188 1.00 0.00 O ATOM 886 CB TRP A 59 -0.752 0.646 -6.797 1.00 0.00 C ATOM 887 CG TRP A 59 -0.259 -0.682 -6.333 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.999 -1.133 -6.492 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.968 -1.723 -5.593 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.080 -2.432 -6.045 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.102 -2.849 -5.465 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.247 -1.828 -5.003 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.500 -4.030 -4.823 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.643 -2.997 -4.329 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.786 -4.109 -4.266 1.00 0.00 C ATOM 0 H TRP A 59 -1.351 -0.811 -9.061 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.677 -0.136 -7.302 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.054 1.147 -7.333 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.982 1.256 -5.923 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.818 -0.564 -6.906 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.912 -3.016 -6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.933 -0.996 -5.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.176 -4.870 -4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.613 -3.041 -3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.116 -5.021 -3.791 1.00 0.00 H new ATOM 906 N LYS A 60 -3.975 1.860 -8.217 1.00 0.00 N ATOM 907 CA LYS A 60 -4.829 3.018 -8.370 1.00 0.00 C ATOM 908 C LYS A 60 -5.818 3.074 -7.198 1.00 0.00 C ATOM 909 O LYS A 60 -5.876 2.153 -6.372 1.00 0.00 O ATOM 910 CB LYS A 60 -5.543 2.933 -9.725 1.00 0.00 C ATOM 911 CG LYS A 60 -6.203 1.559 -9.926 1.00 0.00 C ATOM 912 CD LYS A 60 -7.445 1.655 -10.808 1.00 0.00 C ATOM 913 CE LYS A 60 -7.203 1.547 -12.315 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.438 1.923 -13.036 1.00 0.00 N ATOM 0 H LYS A 60 -4.393 0.995 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.245 3.938 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.300 3.715 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.828 3.116 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.487 0.874 -10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.476 1.141 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.138 0.867 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.938 2.606 -10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.382 2.200 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.911 0.530 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.582 1.277 -13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.250 1.859 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.351 2.898 -13.388 1.00 0.00 H new ATOM 928 N GLU A 61 -6.664 4.110 -7.174 1.00 0.00 N ATOM 929 CA GLU A 61 -7.626 4.388 -6.103 1.00 0.00 C ATOM 930 C GLU A 61 -8.871 3.494 -6.130 1.00 0.00 C ATOM 931 O GLU A 61 -9.968 3.923 -5.781 1.00 0.00 O ATOM 932 CB GLU A 61 -7.981 5.880 -6.109 1.00 0.00 C ATOM 933 CG GLU A 61 -8.635 6.409 -7.393 1.00 0.00 C ATOM 934 CD GLU A 61 -8.885 7.907 -7.276 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.515 8.305 -6.270 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.358 8.644 -8.131 1.00 0.00 O ATOM 0 H GLU A 61 -6.699 4.800 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.140 4.137 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.654 6.077 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.071 6.451 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.991 6.206 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.576 5.889 -7.572 1.00 0.00 H new ATOM 943 N GLU A 62 -8.666 2.234 -6.496 1.00 0.00 N ATOM 944 CA GLU A 62 -9.664 1.184 -6.546 1.00 0.00 C ATOM 945 C GLU A 62 -9.000 -0.061 -5.959 1.00 0.00 C ATOM 946 O GLU A 62 -9.443 -0.638 -4.967 1.00 0.00 O ATOM 947 CB GLU A 62 -10.116 0.949 -8.003 1.00 0.00 C ATOM 948 CG GLU A 62 -10.357 2.239 -8.804 1.00 0.00 C ATOM 949 CD GLU A 62 -10.961 1.929 -10.175 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.136 1.515 -10.197 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.231 2.061 -11.185 1.00 0.00 O ATOM 0 H GLU A 62 -7.744 1.904 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.558 1.445 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.360 0.353 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.034 0.362 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.026 2.897 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.416 2.774 -8.930 1.00 0.00 H new ATOM 958 N THR A 63 -7.867 -0.430 -6.558 1.00 0.00 N ATOM 959 CA THR A 63 -7.100 -1.598 -6.207 1.00 0.00 C ATOM 960 C THR A 63 -6.517 -1.446 -4.807 1.00 0.00 C ATOM 961 O THR A 63 -6.536 -2.396 -4.027 1.00 0.00 O ATOM 962 CB THR A 63 -6.024 -1.791 -7.280 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.348 -0.569 -7.545 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.665 -2.240 -8.597 1.00 0.00 C ATOM 0 H THR A 63 -7.455 0.102 -7.325 1.00 0.00 H new ATOM 0 HA THR A 63 -7.728 -2.489 -6.178 1.00 0.00 H new ATOM 0 HB THR A 63 -5.326 -2.540 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.793 -0.329 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.890 -2.374 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.189 -3.183 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.373 -1.483 -8.934 1.00 0.00 H new ATOM 972 N LEU A 64 -6.020 -0.248 -4.473 1.00 0.00 N ATOM 973 CA LEU A 64 -5.595 0.030 -3.113 1.00 0.00 C ATOM 974 C LEU A 64 -6.747 -0.199 -2.140 1.00 0.00 C ATOM 975 O LEU A 64 -6.567 -0.851 -1.124 1.00 0.00 O ATOM 976 CB LEU A 64 -5.096 1.475 -2.988 1.00 0.00 C ATOM 977 CG LEU A 64 -3.564 1.554 -2.906 1.00 0.00 C ATOM 978 CD1 LEU A 64 -2.994 2.036 -4.235 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.131 2.498 -1.784 1.00 0.00 C ATOM 0 H LEU A 64 -5.907 0.530 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.778 -0.649 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.443 2.053 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.530 1.932 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.180 0.557 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.907 2.089 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.275 1.340 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.392 3.025 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.043 2.539 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.525 3.496 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.516 2.132 -0.832 1.00 0.00 H new ATOM 991 N MET A 65 -7.918 0.360 -2.434 1.00 0.00 N ATOM 992 CA MET A 65 -9.067 0.293 -1.558 1.00 0.00 C ATOM 993 C MET A 65 -9.436 -1.167 -1.289 1.00 0.00 C ATOM 994 O MET A 65 -9.558 -1.569 -0.133 1.00 0.00 O ATOM 995 CB MET A 65 -10.193 1.128 -2.176 1.00 0.00 C ATOM 996 CG MET A 65 -11.200 1.549 -1.106 1.00 0.00 C ATOM 997 SD MET A 65 -12.312 2.902 -1.563 1.00 0.00 S ATOM 998 CE MET A 65 -11.149 4.285 -1.616 1.00 0.00 C ATOM 0 H MET A 65 -8.090 0.875 -3.297 1.00 0.00 H new ATOM 0 HA MET A 65 -8.853 0.720 -0.578 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.775 2.012 -2.658 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.698 0.551 -2.951 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.804 0.681 -0.840 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.651 1.841 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.701 5.225 -1.619 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.500 4.248 -0.741 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.544 4.217 -2.520 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.552 -1.961 -2.357 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.811 -3.393 -2.271 1.00 0.00 C ATOM 1010 C GLU A 66 -8.771 -4.079 -1.367 1.00 0.00 C ATOM 1011 O GLU A 66 -9.115 -4.764 -0.401 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.816 -3.970 -3.698 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.531 -5.324 -3.802 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.042 -5.196 -3.670 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.628 -4.542 -4.559 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.578 -5.772 -2.701 1.00 0.00 O ATOM 0 H GLU A 66 -9.467 -1.620 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.783 -3.578 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.299 -3.259 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.787 -4.083 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.291 -5.786 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.157 -5.990 -3.024 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.482 -3.879 -1.669 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.385 -4.528 -0.956 1.00 0.00 C ATOM 1025 C TYR A 67 -6.444 -4.180 0.527 1.00 0.00 C ATOM 1026 O TYR A 67 -6.517 -5.059 1.370 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.046 -4.094 -1.573 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.796 -4.840 -1.114 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.812 -6.241 -1.019 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.566 -4.165 -0.979 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.645 -6.963 -0.733 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.376 -4.897 -0.785 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.419 -6.295 -0.627 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.287 -7.040 -0.476 1.00 0.00 O ATOM 0 H TYR A 67 -7.174 -3.259 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.477 -5.610 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.123 -4.197 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.904 -3.034 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.740 -6.772 -1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.535 -3.086 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.691 -8.033 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.427 -4.382 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 67 0.498 -6.486 -0.670 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.415 -2.894 0.858 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.414 -2.444 2.237 1.00 0.00 C ATOM 1046 C LEU A 68 -7.678 -2.853 2.986 1.00 0.00 C ATOM 1047 O LEU A 68 -7.596 -3.117 4.184 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.168 -0.930 2.333 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.691 -0.505 2.240 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.783 -1.425 3.062 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.171 -0.417 0.804 1.00 0.00 C ATOM 0 H LEU A 68 -6.392 -2.137 0.175 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.583 -2.949 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.724 -0.435 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.576 -0.570 3.278 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.658 0.501 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.749 -1.092 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.084 -1.392 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.869 -2.447 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.124 -0.112 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.261 -1.392 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.757 0.316 0.249 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.831 -2.929 2.317 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.005 -3.472 2.984 1.00 0.00 C ATOM 1065 C GLU A 69 -9.742 -4.934 3.364 1.00 0.00 C ATOM 1066 O GLU A 69 -9.996 -5.347 4.496 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.264 -3.359 2.110 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.517 -3.449 3.001 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.630 -4.267 2.365 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.490 -5.511 2.391 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.602 -3.633 1.904 1.00 0.00 O ATOM 0 H GLU A 69 -8.971 -2.633 1.351 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.189 -2.886 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.259 -2.414 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.276 -4.155 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.246 -3.894 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.883 -2.444 3.209 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.255 -5.722 2.399 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.295 -7.175 2.475 1.00 0.00 C ATOM 1080 C ASN A 70 -8.088 -7.781 1.739 1.00 0.00 C ATOM 1081 O ASN A 70 -8.233 -8.372 0.671 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.656 -7.621 1.898 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.481 -8.418 2.902 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.087 -9.507 3.313 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.642 -7.908 3.295 1.00 0.00 N ATOM 0 H ASN A 70 -8.824 -5.365 1.547 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.216 -7.533 3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.220 -6.742 1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.489 -8.227 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.229 -8.422 3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.947 -7.002 2.940 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.865 -7.672 2.280 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.661 -7.877 1.486 1.00 0.00 C ATOM 1094 C PRO A 71 -5.482 -9.340 1.107 1.00 0.00 C ATOM 1095 O PRO A 71 -5.283 -9.675 -0.059 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.498 -7.320 2.312 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.035 -7.295 3.743 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.550 -7.137 3.590 1.00 0.00 C ATOM 0 HA PRO A 71 -5.719 -7.355 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.613 -7.950 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.212 -6.323 1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.785 -8.213 4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.607 -6.470 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.082 -7.678 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.845 -6.091 3.668 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.608 -10.213 2.103 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.577 -11.658 1.924 1.00 0.00 C ATOM 1108 C LYS A 72 -6.672 -12.145 0.960 1.00 0.00 C ATOM 1109 O LYS A 72 -6.558 -13.240 0.413 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.683 -12.344 3.303 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.642 -13.462 3.510 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.861 -13.232 4.816 1.00 0.00 C ATOM 1113 CE LYS A 72 -2.588 -14.084 4.907 1.00 0.00 C ATOM 1114 NZ LYS A 72 -2.866 -15.535 4.917 1.00 0.00 N ATOM 0 H LYS A 72 -5.737 -9.929 3.074 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.628 -11.932 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.561 -11.594 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.683 -12.763 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.141 -14.431 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.953 -13.487 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.593 -12.178 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.506 -13.460 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.939 -13.849 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.043 -13.818 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.970 -16.060 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.462 -15.769 5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.362 -15.800 4.042 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.735 -11.355 0.765 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.788 -11.642 -0.197 1.00 0.00 C ATOM 1130 C LYS A 73 -8.308 -11.233 -1.590 1.00 0.00 C ATOM 1131 O LYS A 73 -8.318 -12.041 -2.516 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.063 -10.874 0.194 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.313 -11.750 0.302 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.285 -12.574 1.600 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.565 -13.395 1.800 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.770 -12.544 1.903 1.00 0.00 N ATOM 0 H LYS A 73 -7.883 -10.488 1.282 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.019 -12.707 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.896 -10.378 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.243 -10.092 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.205 -11.124 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.372 -12.417 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.426 -13.244 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.150 -11.904 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.683 -14.088 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.470 -13.997 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.572 -13.116 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.593 -11.771 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.995 -12.146 0.969 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.893 -9.970 -1.736 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.458 -9.404 -2.998 1.00 0.00 C ATOM 1152 C TYR A 74 -6.314 -10.216 -3.610 1.00 0.00 C ATOM 1153 O TYR A 74 -6.189 -10.300 -4.837 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.022 -7.961 -2.752 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.764 -7.158 -4.009 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.806 -6.984 -4.935 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.496 -6.612 -4.275 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.581 -6.288 -6.131 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.263 -5.931 -5.483 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.311 -5.758 -6.402 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.055 -5.237 -7.632 1.00 0.00 O ATOM 0 H TYR A 74 -7.853 -9.308 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.283 -9.431 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.791 -7.458 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.115 -7.967 -2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.785 -7.388 -4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.701 -6.716 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.384 -6.160 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.280 -5.542 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.855 -5.314 -8.193 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.448 -10.759 -2.748 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.301 -11.573 -3.120 1.00 0.00 C ATOM 1173 C ILE A 75 -4.205 -12.767 -2.158 1.00 0.00 C ATOM 1174 O ILE A 75 -3.800 -12.586 -1.007 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.023 -10.714 -3.113 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.210 -9.540 -4.085 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.830 -11.579 -3.546 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.026 -8.583 -4.139 1.00 0.00 C ATOM 0 H ILE A 75 -5.535 -10.636 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.420 -11.961 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.833 -10.326 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.390 -9.935 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.101 -8.982 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.923 -10.975 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.714 -12.412 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.006 -11.964 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.237 -7.783 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.857 -8.157 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.135 -9.124 -4.458 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.550 -13.990 -2.601 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.564 -15.169 -1.749 1.00 0.00 C ATOM 1192 C PRO A 76 -3.138 -15.636 -1.437 1.00 0.00 C ATOM 1193 O PRO A 76 -2.659 -16.620 -1.996 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.386 -16.213 -2.516 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.120 -15.854 -3.975 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.023 -14.329 -3.938 1.00 0.00 C ATOM 0 HA PRO A 76 -5.011 -14.976 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.065 -17.229 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.446 -16.151 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.200 -16.309 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.925 -16.192 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.335 -13.963 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.992 -13.871 -4.137 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.471 -14.935 -0.517 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.150 -15.292 -0.015 1.00 0.00 C ATOM 1206 C GLY A 77 -0.092 -14.315 -0.515 1.00 0.00 C ATOM 1207 O GLY A 77 0.889 -14.709 -1.142 1.00 0.00 O ATOM 0 H GLY A 77 -2.846 -14.086 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.160 -15.296 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.897 -16.303 -0.335 1.00 0.00 H new ATOM 1211 N THR A 78 -0.287 -13.031 -0.213 1.00 0.00 N ATOM 1212 CA THR A 78 0.737 -12.016 -0.393 1.00 0.00 C ATOM 1213 C THR A 78 1.765 -12.114 0.741 1.00 0.00 C ATOM 1214 O THR A 78 1.540 -12.785 1.749 1.00 0.00 O ATOM 1215 CB THR A 78 0.090 -10.625 -0.479 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.091 -9.648 -0.692 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.737 -10.275 0.763 1.00 0.00 C ATOM 0 H THR A 78 -1.164 -12.670 0.164 1.00 0.00 H new ATOM 0 HA THR A 78 1.266 -12.182 -1.331 1.00 0.00 H new ATOM 0 HB THR A 78 -0.602 -10.641 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.700 -8.754 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.169 -9.281 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.536 -11.006 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.095 -10.288 1.644 1.00 0.00 H new ATOM 1225 N LYS A 79 2.883 -11.408 0.576 1.00 0.00 N ATOM 1226 CA LYS A 79 3.902 -11.230 1.598 1.00 0.00 C ATOM 1227 C LYS A 79 3.405 -10.268 2.689 1.00 0.00 C ATOM 1228 O LYS A 79 3.931 -10.278 3.799 1.00 0.00 O ATOM 1229 CB LYS A 79 5.189 -10.738 0.913 1.00 0.00 C ATOM 1230 CG LYS A 79 6.445 -10.790 1.804 1.00 0.00 C ATOM 1231 CD LYS A 79 7.555 -11.609 1.133 1.00 0.00 C ATOM 1232 CE LYS A 79 8.847 -11.571 1.962 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.957 -12.282 1.292 1.00 0.00 N ATOM 0 H LYS A 79 3.107 -10.933 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 79 4.117 -12.173 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.365 -11.341 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.038 -9.712 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.800 -9.778 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.194 -11.231 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.227 -12.641 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.748 -11.217 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.134 -10.534 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.665 -12.021 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.810 -12.232 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.694 -13.278 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.149 -11.837 0.372 1.00 0.00 H new ATOM 1247 N MET A 80 2.429 -9.410 2.370 1.00 0.00 N ATOM 1248 CA MET A 80 1.871 -8.436 3.300 1.00 0.00 C ATOM 1249 C MET A 80 1.048 -9.120 4.392 1.00 0.00 C ATOM 1250 O MET A 80 0.369 -10.116 4.143 1.00 0.00 O ATOM 1251 CB MET A 80 1.026 -7.445 2.503 1.00 0.00 C ATOM 1252 CG MET A 80 0.410 -6.286 3.290 1.00 0.00 C ATOM 1253 SD MET A 80 0.361 -4.763 2.312 1.00 0.00 S ATOM 1254 CE MET A 80 -1.336 -4.172 2.514 1.00 0.00 C ATOM 0 H MET A 80 2.002 -9.377 1.444 1.00 0.00 H new ATOM 0 HA MET A 80 2.677 -7.906 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.647 -7.027 1.710 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.219 -7.996 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.601 -6.553 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.987 -6.116 4.199 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.468 -3.246 1.955 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.030 -4.924 2.139 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.534 -3.989 3.570 1.00 0.00 H new ATOM 1264 N ILE A 81 1.105 -8.568 5.605 1.00 0.00 N ATOM 1265 CA ILE A 81 0.509 -9.128 6.808 1.00 0.00 C ATOM 1266 C ILE A 81 -0.290 -8.008 7.471 1.00 0.00 C ATOM 1267 O ILE A 81 0.271 -7.191 8.198 1.00 0.00 O ATOM 1268 CB ILE A 81 1.621 -9.645 7.738 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.654 -10.568 7.065 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.029 -10.317 8.986 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.092 -11.902 6.564 1.00 0.00 C ATOM 0 H ILE A 81 1.587 -7.686 5.778 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.146 -9.969 6.581 1.00 0.00 H new ATOM 0 HB ILE A 81 2.177 -8.754 8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.100 -10.038 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.456 -10.771 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.837 -10.673 9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.423 -9.596 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.407 -11.160 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.891 -12.484 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.673 -12.458 7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.311 -11.714 5.827 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.593 -7.931 7.191 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.428 -6.853 7.700 1.00 0.00 C ATOM 1285 C PHE A 82 -3.895 -7.298 7.716 1.00 0.00 C ATOM 1286 O PHE A 82 -4.558 -7.308 6.682 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.180 -5.603 6.845 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.679 -4.321 7.466 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.043 -3.795 8.606 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.777 -3.654 6.906 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.523 -2.614 9.199 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.261 -2.483 7.505 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.648 -1.966 8.658 1.00 0.00 C ATOM 0 H PHE A 82 -2.090 -8.608 6.612 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.173 -6.604 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.110 -5.511 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.663 -5.737 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.185 -4.299 9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.249 -4.041 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.029 -2.205 10.068 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.112 -1.974 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.039 -1.075 9.127 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.388 -7.747 8.874 1.00 0.00 N ATOM 1304 CA ALA A 83 -5.715 -8.336 9.002 1.00 0.00 C ATOM 1305 C ALA A 83 -6.774 -7.254 9.232 1.00 0.00 C ATOM 1306 O ALA A 83 -7.021 -6.860 10.370 1.00 0.00 O ATOM 1307 CB ALA A 83 -5.706 -9.368 10.136 1.00 0.00 C ATOM 0 H ALA A 83 -3.870 -7.710 9.752 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.975 -8.843 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.698 -9.810 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.981 -10.150 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.433 -8.879 11.071 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.419 -6.795 8.157 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.433 -5.749 8.229 1.00 0.00 C ATOM 1315 C GLY A 84 -7.766 -4.376 8.279 1.00 0.00 C ATOM 1316 O GLY A 84 -6.571 -4.273 8.021 1.00 0.00 O ATOM 0 H GLY A 84 -7.250 -7.141 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.093 -5.810 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.054 -5.893 9.113 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.527 -3.322 8.597 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.044 -1.951 8.594 1.00 0.00 C ATOM 1322 C ILE A 85 -8.528 -1.259 9.876 1.00 0.00 C ATOM 1323 O ILE A 85 -7.726 -0.939 10.748 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.452 -1.296 7.255 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.899 0.125 7.091 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.964 -1.279 6.976 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.540 0.202 6.391 1.00 0.00 C ATOM 0 H ILE A 85 -9.507 -3.407 8.866 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.958 -1.869 8.629 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.993 -1.953 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.618 0.718 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.812 0.583 8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.151 -0.800 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.341 -2.301 6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.473 -0.723 7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.227 1.243 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.803 -0.360 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.621 -0.223 5.391 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.846 -1.089 10.028 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.470 -0.498 11.198 1.00 0.00 C ATOM 1341 C LYS A 86 -11.975 -0.750 11.128 1.00 0.00 C ATOM 1342 O LYS A 86 -12.549 -1.375 12.014 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.139 1.004 11.274 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.141 1.786 12.137 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.566 3.074 12.734 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.632 2.802 13.922 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.657 3.896 14.088 1.00 0.00 N ATOM 0 H LYS A 86 -10.520 -1.370 9.315 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.084 -0.956 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.136 1.131 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.129 1.422 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.012 2.034 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.488 1.144 12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.020 3.617 11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.384 3.718 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.219 2.692 14.834 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.105 1.861 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.200 3.815 15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.936 3.835 13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.147 4.811 14.021 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.617 -0.204 10.092 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.069 -0.183 9.971 1.00 0.00 C ATOM 1363 C LYS A 87 -14.449 0.281 8.566 1.00 0.00 C ATOM 1364 O LYS A 87 -15.199 -0.392 7.869 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.666 0.771 11.028 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.202 0.745 11.086 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.718 -0.340 12.041 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.252 -0.268 12.133 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.802 -1.221 13.120 1.00 0.00 N ATOM 0 H LYS A 87 -12.135 0.239 9.309 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.467 -1.184 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.270 0.507 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.336 1.788 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.570 1.719 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.601 0.569 10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.412 -1.324 11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.279 -0.206 13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.550 0.745 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.682 -0.475 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.838 -1.135 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.542 -2.191 12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.414 -1.009 14.061 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.957 1.467 8.190 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.313 2.159 6.956 1.00 0.00 C ATOM 1385 C LYS A 88 -13.496 3.443 6.798 1.00 0.00 C ATOM 1386 O LYS A 88 -12.936 3.677 5.734 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.825 2.436 6.861 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.448 3.089 8.108 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.144 4.409 7.751 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.589 5.141 9.027 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.446 6.310 8.730 1.00 0.00 N ATOM 0 H LYS A 88 -13.282 1.982 8.755 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.065 1.496 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.007 3.082 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.340 1.495 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.167 2.406 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.673 3.273 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.466 5.042 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.008 4.212 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.132 4.449 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.710 5.469 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.722 6.773 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.921 6.984 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.299 5.996 8.224 1.00 0.00 H new ATOM 1405 N THR A 89 -13.396 4.263 7.852 1.00 0.00 N ATOM 1406 CA THR A 89 -12.655 5.518 7.831 1.00 0.00 C ATOM 1407 C THR A 89 -11.274 5.320 7.213 1.00 0.00 C ATOM 1408 O THR A 89 -10.942 5.968 6.225 1.00 0.00 O ATOM 1409 CB THR A 89 -12.565 6.060 9.264 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.869 6.065 9.813 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.961 7.467 9.313 1.00 0.00 C ATOM 0 H THR A 89 -13.835 4.066 8.751 1.00 0.00 H new ATOM 0 HA THR A 89 -13.176 6.247 7.210 1.00 0.00 H new ATOM 0 HB THR A 89 -11.903 5.417 9.844 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.836 6.407 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.918 7.808 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.954 7.446 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.581 8.149 8.731 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.496 4.388 7.768 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.154 4.095 7.306 1.00 0.00 C ATOM 1421 C GLU A 90 -9.138 3.600 5.856 1.00 0.00 C ATOM 1422 O GLU A 90 -8.245 3.965 5.097 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.486 3.135 8.288 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.228 3.879 9.608 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.399 3.082 10.612 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.679 2.162 10.182 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.483 3.434 11.812 1.00 0.00 O ATOM 0 H GLU A 90 -10.791 3.814 8.558 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.568 5.014 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.124 2.268 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.548 2.763 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.716 4.817 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.185 4.135 10.063 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.167 2.846 5.451 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.358 2.384 4.076 1.00 0.00 C ATOM 1436 C ARG A 91 -10.658 3.539 3.111 1.00 0.00 C ATOM 1437 O ARG A 91 -10.858 3.302 1.921 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.485 1.337 4.044 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.538 0.510 2.749 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.912 0.595 2.066 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.212 1.956 1.578 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.391 2.336 1.058 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.354 1.422 0.889 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.623 3.607 0.713 1.00 0.00 N ATOM 0 H ARG A 91 -10.903 2.535 6.085 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.426 1.931 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.362 0.660 4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.441 1.844 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.769 0.863 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.309 -0.532 2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.943 -0.104 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.685 0.285 2.769 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.473 2.656 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.188 0.451 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.254 1.696 0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.897 4.311 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.526 3.872 0.320 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.708 4.778 3.600 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.739 5.977 2.793 1.00 0.00 C ATOM 1460 C GLU A 92 -9.461 6.783 3.067 1.00 0.00 C ATOM 1461 O GLU A 92 -8.755 7.166 2.143 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.036 6.723 3.145 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.464 7.707 2.046 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.754 6.986 0.732 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.321 5.873 0.807 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.384 7.557 -0.313 1.00 0.00 O ATOM 0 H GLU A 92 -10.728 4.971 4.601 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.750 5.776 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.834 5.999 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.897 7.265 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.353 8.250 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.678 8.446 1.891 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.161 7.025 4.347 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.069 7.840 4.856 1.00 0.00 C ATOM 1475 C ASP A 93 -6.726 7.405 4.281 1.00 0.00 C ATOM 1476 O ASP A 93 -5.989 8.219 3.734 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.030 7.769 6.393 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.253 9.134 7.001 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.594 10.100 6.564 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.212 9.253 7.791 1.00 0.00 O ATOM 0 H ASP A 93 -9.718 6.625 5.102 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.249 8.869 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.795 7.079 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.068 7.374 6.719 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.389 6.121 4.402 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.151 5.581 3.850 1.00 0.00 C ATOM 1487 C LEU A 94 -5.063 5.853 2.352 1.00 0.00 C ATOM 1488 O LEU A 94 -4.075 6.409 1.865 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.079 4.078 4.141 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.471 3.764 5.512 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.961 3.767 5.365 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.811 4.748 6.630 1.00 0.00 C ATOM 0 H LEU A 94 -6.965 5.430 4.883 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.302 6.074 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.082 3.655 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.487 3.591 3.366 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.895 2.804 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.501 3.546 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.665 3.010 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.631 4.748 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.329 4.429 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.456 5.743 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.891 4.775 6.775 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.129 5.516 1.625 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.186 5.733 0.190 1.00 0.00 C ATOM 1506 C ILE A 95 -6.422 7.228 -0.103 1.00 0.00 C ATOM 1507 O ILE A 95 -6.593 7.593 -1.263 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.212 4.771 -0.464 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.967 3.301 -0.057 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.133 4.782 -2.002 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.557 2.896 1.294 1.00 0.00 C ATOM 0 H ILE A 95 -6.968 5.088 2.016 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.231 5.486 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.180 5.131 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.384 2.652 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.892 3.120 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.872 4.092 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.335 5.788 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.136 4.474 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.332 1.848 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.123 3.513 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.638 3.038 1.276 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.381 8.122 0.900 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.461 9.551 0.664 1.00 0.00 C ATOM 1525 C ALA A 96 -5.058 10.124 0.820 1.00 0.00 C ATOM 1526 O ALA A 96 -4.577 10.831 -0.061 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.483 10.171 1.613 1.00 0.00 C ATOM 0 H ALA A 96 -6.292 7.865 1.883 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.809 9.781 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.541 11.245 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.460 9.721 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.178 9.991 2.644 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.365 9.767 1.905 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.980 10.151 2.089 1.00 0.00 C ATOM 1535 C TYR A 97 -2.138 9.708 0.907 1.00 0.00 C ATOM 1536 O TYR A 97 -1.432 10.524 0.324 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.376 9.550 3.358 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.856 9.699 3.440 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.217 10.855 2.948 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.070 8.671 3.979 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.173 11.023 3.060 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.317 8.850 4.119 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.945 10.021 3.663 1.00 0.00 C ATOM 1544 OH TYR A 97 3.284 10.201 3.844 1.00 0.00 O ATOM 0 H TYR A 97 -4.751 9.210 2.667 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.973 11.238 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.827 10.028 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.633 8.492 3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.807 11.626 2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.529 7.743 4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.644 11.919 2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.909 8.076 4.584 1.00 0.00 H new ATOM 0 HH TYR A 97 3.576 9.708 4.639 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.147 8.417 0.571 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.185 7.928 -0.409 1.00 0.00 C ATOM 1556 C LEU A 98 -1.380 8.588 -1.775 1.00 0.00 C ATOM 1557 O LEU A 98 -0.437 8.693 -2.561 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.189 6.402 -0.470 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.872 5.786 0.900 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.961 4.267 0.775 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.507 6.176 1.446 1.00 0.00 C ATOM 0 H LEU A 98 -2.785 7.716 0.948 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.188 8.221 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.163 6.053 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.455 6.064 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.601 6.176 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.739 3.809 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.967 3.986 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.241 3.920 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.661 5.704 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.280 5.843 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.562 7.259 1.557 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.591 9.105 -2.005 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.956 9.835 -3.208 1.00 0.00 C ATOM 1575 C LYS A 99 -2.123 11.109 -3.377 1.00 0.00 C ATOM 1576 O LYS A 99 -1.979 11.612 -4.488 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.456 10.141 -3.136 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.097 10.287 -4.520 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.628 10.315 -4.388 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.145 8.876 -4.270 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.579 8.784 -3.936 1.00 0.00 N ATOM 0 H LYS A 99 -3.359 9.022 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.745 9.226 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.959 9.344 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.608 11.060 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.748 11.203 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.794 9.458 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.920 10.893 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.072 10.805 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.967 8.357 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.569 8.355 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.710 8.119 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.932 9.723 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.108 8.445 -4.765 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.573 11.618 -2.271 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.665 12.751 -2.211 1.00 0.00 C ATOM 1597 C LYS A 100 0.762 12.279 -1.889 1.00 0.00 C ATOM 1598 O LYS A 100 1.712 12.907 -2.346 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.243 13.829 -1.269 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.644 13.912 0.142 1.00 0.00 C ATOM 1601 CD LYS A 100 0.726 14.613 0.148 1.00 0.00 C ATOM 1602 CE LYS A 100 0.779 15.740 1.190 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.056 16.479 1.135 1.00 0.00 N ATOM 0 H LYS A 100 -1.763 11.225 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.576 13.236 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.118 14.800 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.315 13.656 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.330 14.451 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.538 12.907 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.508 13.884 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.931 15.021 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.048 16.430 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.645 15.320 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.103 17.151 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.848 15.809 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.118 16.999 0.236 1.00 0.00 H new ATOM 1617 N ALA A 101 0.941 11.175 -1.148 1.00 0.00 N ATOM 1618 CA ALA A 101 2.261 10.606 -0.854 1.00 0.00 C ATOM 1619 C ALA A 101 3.027 10.297 -2.139 1.00 0.00 C ATOM 1620 O ALA A 101 4.224 10.546 -2.244 1.00 0.00 O ATOM 1621 CB ALA A 101 2.168 9.355 0.017 1.00 0.00 C ATOM 0 H ALA A 101 0.169 10.651 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 101 2.809 11.362 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.169 8.969 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.689 9.605 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.579 8.596 -0.498 1.00 0.00 H new ATOM 1627 N THR A 102 2.317 9.758 -3.133 1.00 0.00 N ATOM 1628 CA THR A 102 2.864 9.583 -4.471 1.00 0.00 C ATOM 1629 C THR A 102 3.515 10.883 -4.964 1.00 0.00 C ATOM 1630 O THR A 102 4.641 10.872 -5.473 1.00 0.00 O ATOM 1631 CB THR A 102 1.756 9.069 -5.403 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.265 8.797 -6.688 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.567 10.020 -5.552 1.00 0.00 C ATOM 0 H THR A 102 1.355 9.435 -3.030 1.00 0.00 H new ATOM 0 HA THR A 102 3.658 8.836 -4.461 1.00 0.00 H new ATOM 0 HB THR A 102 1.392 8.160 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.369 7.829 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.168 9.581 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.110 10.187 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.910 10.971 -5.960 1.00 0.00 H new ATOM 1641 N ASN A 103 2.828 12.013 -4.759 1.00 0.00 N ATOM 1642 CA ASN A 103 3.259 13.321 -5.215 1.00 0.00 C ATOM 1643 C ASN A 103 4.406 13.847 -4.354 1.00 0.00 C ATOM 1644 O ASN A 103 5.499 14.026 -4.889 1.00 0.00 O ATOM 1645 CB ASN A 103 2.070 14.288 -5.258 1.00 0.00 C ATOM 1646 CG ASN A 103 2.467 15.619 -5.885 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.852 16.549 -5.186 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.359 15.730 -7.206 1.00 0.00 N ATOM 0 H ASN A 103 1.939 12.034 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 103 3.644 13.233 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.255 13.842 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.697 14.455 -4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.600 16.608 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.035 14.937 -7.760 1.00 0.00 H new ATOM 1655 N GLU A 104 4.190 14.050 -3.047 1.00 0.00 N ATOM 1656 CA GLU A 104 5.155 14.724 -2.176 1.00 0.00 C ATOM 1657 C GLU A 104 6.531 14.043 -2.195 1.00 0.00 C ATOM 1658 O GLU A 104 7.533 14.766 -2.377 1.00 0.00 O ATOM 1659 CB GLU A 104 4.604 14.944 -0.750 1.00 0.00 C ATOM 1660 CG GLU A 104 4.547 13.706 0.167 1.00 0.00 C ATOM 1661 CD GLU A 104 4.512 14.014 1.659 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.105 15.148 1.992 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.791 13.087 2.449 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.566 12.794 -2.103 1.00 0.00 O ATOM 0 H GLU A 104 3.341 13.751 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 104 5.311 15.720 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.216 15.702 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.597 15.353 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.663 13.122 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.414 13.079 -0.039 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.957 -3.025 2.732 1.00 0.00 FE HETATM 1673 CHA HEC A 105 3.127 -4.123 -0.371 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.029 -0.652 1.224 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.992 -1.965 5.866 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.890 -5.492 4.272 1.00 0.00 C HETATM 1677 NA HEC A 105 1.586 -2.524 0.757 1.00 0.00 N HETATM 1678 C1A HEC A 105 2.192 -3.083 -0.340 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.720 -2.370 -1.507 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.791 -1.445 -1.065 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.763 -1.508 0.384 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.040 -0.533 -1.947 1.00 0.00 C HETATM 1683 CAA HEC A 105 2.109 -2.629 -2.959 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.605 -2.549 -3.325 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.851 -1.996 -4.730 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.734 -2.784 -5.696 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.152 -0.788 -4.830 1.00 0.00 O HETATM 1688 NB HEC A 105 0.753 -1.558 3.427 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.064 -0.695 2.635 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.615 0.232 3.522 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.414 -0.201 4.825 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.508 -1.301 4.744 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.335 1.478 3.068 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.134 0.165 6.124 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.658 0.244 6.020 1.00 0.00 C HETATM 1696 NC HEC A 105 2.332 -3.647 4.707 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.844 -3.037 5.806 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.383 -3.689 6.969 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.295 -4.611 6.517 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.170 -4.642 5.079 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.080 -3.329 8.403 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.459 -5.192 7.291 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.103 -6.351 8.224 1.00 0.00 C HETATM 1704 ND HEC A 105 3.259 -4.558 2.070 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.909 -5.424 2.891 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.697 -6.302 2.069 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.467 -5.958 0.760 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.578 -4.811 0.765 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.608 -7.405 2.540 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.897 -6.801 -0.418 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.718 -7.586 -0.996 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.965 -6.722 -1.988 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.554 -6.461 -3.057 1.00 0.00 O HETATM 1714 O2D HEC A 105 1.837 -6.301 -1.651 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.387 -6.986 3.177 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.031 -8.137 3.106 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.066 -7.891 1.679 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.379 -2.298 8.590 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.011 -3.435 8.587 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.631 -3.993 9.069 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.633 2.139 2.559 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.138 1.205 2.383 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.755 1.991 3.933 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.620 0.105 -2.535 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.654 -1.135 -2.617 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.684 0.087 -1.324 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 4.077 -8.491 -1.486 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.051 -7.901 -0.194 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.376 -6.013 8.962 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.677 -7.169 7.642 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.002 -6.698 8.733 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.934 1.002 5.287 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -3.052 -0.723 5.708 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -3.076 0.509 6.991 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 4.117 -1.919 -2.598 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 4.045 -3.544 -3.250 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.325 -6.161 -1.190 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.680 -7.492 -0.107 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.750 -3.622 -3.231 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.572 -1.914 -3.583 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.484 -6.270 4.752 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.676 -1.613 6.848 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.610 0.095 0.754 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.531 -4.417 -1.340 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.477 -5.727 -2.359 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.511 -0.613 -5.725 1.00 0.00 H new