USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -10:sc= 0.951 USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= 0.149 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 41:sc= 0.908 USER MOD Single : A 24 SER OG : rot 48:sc= 0.0802 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.56 F(o=-2.1!,f=-1.6) USER MOD Single : A 30 ASN : amide:sc= -0.951 X(o=-0.95,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= -0.124 (180deg=-0.669) USER MOD Single : A 34 THR OG1 : rot 62:sc= 0.0493 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.0148 (180deg=0.0118) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -3.02! (180deg=-4!) USER MOD Single : A 48 MET CE :methyl -121:sc= -0.459 (180deg=-0.994) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 134:sc= -2.97 (180deg=-9.89!) USER MOD Single : A 62 MET CE :methyl -157:sc= -2.01 (180deg=-2.71!) USER MOD Single : A 66 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 69 SER OG : rot 111:sc= 1.18 USER MOD Single : A 70 MET CE :methyl 144:sc= -2.05 (180deg=-4.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.662 0.798 -12.219 1.00 0.00 N ATOM 2 CA MET A 1 -4.381 1.611 -13.435 1.00 0.00 C ATOM 3 C MET A 1 -5.672 2.283 -13.910 1.00 0.00 C ATOM 4 O MET A 1 -6.018 2.231 -15.073 1.00 0.00 O ATOM 5 CB MET A 1 -3.842 0.703 -14.544 1.00 0.00 C ATOM 6 CG MET A 1 -2.420 1.128 -14.908 1.00 0.00 C ATOM 7 SD MET A 1 -1.933 0.335 -16.461 1.00 0.00 S ATOM 8 CE MET A 1 -0.693 1.553 -16.961 1.00 0.00 C ATOM 0 H1 MET A 1 -3.785 0.342 -11.896 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.029 1.415 -11.466 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.369 0.069 -12.444 1.00 0.00 H new ATOM 0 HA MET A 1 -3.640 2.374 -13.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.849 -0.336 -14.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.486 0.762 -15.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.367 2.212 -15.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.730 0.848 -14.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.255 1.256 -17.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.165 2.530 -17.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.089 1.608 -16.204 1.00 0.00 H new ATOM 20 N THR A 2 -6.389 2.910 -13.019 1.00 0.00 N ATOM 21 CA THR A 2 -7.657 3.583 -13.420 1.00 0.00 C ATOM 22 C THR A 2 -7.678 5.009 -12.865 1.00 0.00 C ATOM 23 O THR A 2 -6.780 5.423 -12.158 1.00 0.00 O ATOM 24 CB THR A 2 -8.847 2.802 -12.859 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.057 3.373 -13.338 1.00 0.00 O ATOM 26 CG2 THR A 2 -8.822 2.861 -11.331 1.00 0.00 C ATOM 0 H THR A 2 -6.152 2.986 -12.030 1.00 0.00 H new ATOM 0 HA THR A 2 -7.721 3.616 -14.508 1.00 0.00 H new ATOM 0 HB THR A 2 -8.784 1.763 -13.182 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.819 2.872 -12.980 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.670 2.305 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.894 2.421 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.884 3.900 -11.006 1.00 0.00 H new ATOM 34 N PHE A 3 -8.698 5.764 -13.175 1.00 0.00 N ATOM 35 CA PHE A 3 -8.774 7.160 -12.660 1.00 0.00 C ATOM 36 C PHE A 3 -8.963 7.128 -11.143 1.00 0.00 C ATOM 37 O PHE A 3 -9.852 6.475 -10.633 1.00 0.00 O ATOM 38 CB PHE A 3 -9.957 7.882 -13.309 1.00 0.00 C ATOM 39 CG PHE A 3 -9.455 8.759 -14.432 1.00 0.00 C ATOM 40 CD1 PHE A 3 -8.480 8.277 -15.313 1.00 0.00 C ATOM 41 CD2 PHE A 3 -9.962 10.055 -14.591 1.00 0.00 C ATOM 42 CE1 PHE A 3 -8.013 9.087 -16.355 1.00 0.00 C ATOM 43 CE2 PHE A 3 -9.495 10.866 -15.632 1.00 0.00 C ATOM 44 CZ PHE A 3 -8.520 10.383 -16.514 1.00 0.00 C ATOM 0 H PHE A 3 -9.480 5.474 -13.762 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.853 7.690 -12.902 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.674 7.156 -13.692 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.480 8.486 -12.567 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.087 7.279 -15.189 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.713 10.428 -13.911 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -7.263 8.713 -17.036 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -9.887 11.865 -15.755 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.159 11.010 -17.316 1.00 0.00 H new ATOM 54 N ILE A 4 -8.130 7.821 -10.414 1.00 0.00 N ATOM 55 CA ILE A 4 -8.263 7.820 -8.930 1.00 0.00 C ATOM 56 C ILE A 4 -8.399 9.255 -8.418 1.00 0.00 C ATOM 57 O ILE A 4 -7.431 9.882 -8.038 1.00 0.00 O ATOM 58 CB ILE A 4 -7.021 7.175 -8.310 1.00 0.00 C ATOM 59 CG1 ILE A 4 -6.879 5.743 -8.830 1.00 0.00 C ATOM 60 CG2 ILE A 4 -7.163 7.153 -6.788 1.00 0.00 C ATOM 61 CD1 ILE A 4 -8.090 4.917 -8.390 1.00 0.00 C ATOM 0 H ILE A 4 -7.365 8.386 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.151 7.254 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.137 7.751 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.803 5.746 -9.917 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.962 5.295 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.279 6.694 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.265 8.173 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.046 6.577 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.989 3.897 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.145 4.904 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.000 5.361 -8.794 1.00 0.00 H new ATOM 73 N THR A 5 -9.596 9.778 -8.394 1.00 0.00 N ATOM 74 CA THR A 5 -9.789 11.169 -7.895 1.00 0.00 C ATOM 75 C THR A 5 -9.660 11.176 -6.372 1.00 0.00 C ATOM 76 O THR A 5 -8.611 11.459 -5.826 1.00 0.00 O ATOM 77 CB THR A 5 -11.181 11.670 -8.290 1.00 0.00 C ATOM 78 OG1 THR A 5 -12.022 10.558 -8.567 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.077 12.556 -9.532 1.00 0.00 C ATOM 0 H THR A 5 -10.446 9.303 -8.698 1.00 0.00 H new ATOM 0 HA THR A 5 -9.034 11.822 -8.333 1.00 0.00 H new ATOM 0 HB THR A 5 -11.603 12.250 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.914 10.877 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.069 12.911 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.434 13.409 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.654 11.980 -10.355 1.00 0.00 H new ATOM 87 N LYS A 6 -10.719 10.857 -5.682 1.00 0.00 N ATOM 88 CA LYS A 6 -10.664 10.837 -4.192 1.00 0.00 C ATOM 89 C LYS A 6 -9.577 9.857 -3.742 1.00 0.00 C ATOM 90 O LYS A 6 -9.572 8.704 -4.125 1.00 0.00 O ATOM 91 CB LYS A 6 -12.018 10.384 -3.641 1.00 0.00 C ATOM 92 CG LYS A 6 -12.870 11.609 -3.307 1.00 0.00 C ATOM 93 CD LYS A 6 -14.209 11.155 -2.722 1.00 0.00 C ATOM 94 CE LYS A 6 -14.918 12.347 -2.080 1.00 0.00 C ATOM 95 NZ LYS A 6 -16.031 11.856 -1.220 1.00 0.00 N ATOM 0 H LYS A 6 -11.622 10.609 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.435 11.835 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.530 9.761 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.874 9.774 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.347 12.246 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.036 12.205 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.833 10.727 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.047 10.373 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.212 12.927 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.306 13.012 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.515 12.666 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.708 11.321 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.648 11.238 -0.476 1.00 0.00 H new ATOM 109 N THR A 7 -8.655 10.305 -2.935 1.00 0.00 N ATOM 110 CA THR A 7 -7.570 9.396 -2.468 1.00 0.00 C ATOM 111 C THR A 7 -8.137 8.403 -1.441 1.00 0.00 C ATOM 112 O THR A 7 -8.583 8.803 -0.385 1.00 0.00 O ATOM 113 CB THR A 7 -6.460 10.221 -1.815 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.856 10.587 -0.500 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.204 11.482 -2.642 1.00 0.00 C ATOM 0 H THR A 7 -8.606 11.260 -2.579 1.00 0.00 H new ATOM 0 HA THR A 7 -7.166 8.848 -3.319 1.00 0.00 H new ATOM 0 HB THR A 7 -5.546 9.629 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.801 10.364 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.413 12.069 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.900 11.200 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.116 12.077 -2.691 1.00 0.00 H new ATOM 123 N PRO A 8 -8.101 7.137 -1.781 1.00 0.00 N ATOM 124 CA PRO A 8 -8.602 6.065 -0.901 1.00 0.00 C ATOM 125 C PRO A 8 -7.585 5.772 0.208 1.00 0.00 C ATOM 126 O PRO A 8 -6.513 6.341 0.225 1.00 0.00 O ATOM 127 CB PRO A 8 -8.752 4.868 -1.848 1.00 0.00 C ATOM 128 CG PRO A 8 -7.822 5.140 -3.050 1.00 0.00 C ATOM 129 CD PRO A 8 -7.556 6.655 -3.067 1.00 0.00 C ATOM 0 HA PRO A 8 -9.534 6.317 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.477 3.940 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.786 4.759 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.890 4.584 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.288 4.818 -3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.491 6.871 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.048 7.136 -3.913 1.00 0.00 H new ATOM 137 N PRO A 9 -7.951 4.889 1.104 1.00 0.00 N ATOM 138 CA PRO A 9 -7.081 4.503 2.229 1.00 0.00 C ATOM 139 C PRO A 9 -5.934 3.614 1.741 1.00 0.00 C ATOM 140 O PRO A 9 -6.125 2.710 0.952 1.00 0.00 O ATOM 141 CB PRO A 9 -8.022 3.748 3.173 1.00 0.00 C ATOM 142 CG PRO A 9 -9.212 3.270 2.311 1.00 0.00 C ATOM 143 CD PRO A 9 -9.255 4.193 1.078 1.00 0.00 C ATOM 0 HA PRO A 9 -6.604 5.353 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.513 2.902 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.363 4.395 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.082 2.230 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.145 3.327 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.385 3.623 0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.084 4.898 1.136 1.00 0.00 H new ATOM 151 N ALA A 10 -4.741 3.880 2.199 1.00 0.00 N ATOM 152 CA ALA A 10 -3.568 3.072 1.760 1.00 0.00 C ATOM 153 C ALA A 10 -3.779 1.597 2.109 1.00 0.00 C ATOM 154 O ALA A 10 -3.063 0.739 1.641 1.00 0.00 O ATOM 155 CB ALA A 10 -2.310 3.585 2.464 1.00 0.00 C ATOM 0 H ALA A 10 -4.528 4.626 2.861 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.455 3.167 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.449 2.997 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.150 4.632 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.434 3.493 3.543 1.00 0.00 H new ATOM 161 N ALA A 11 -4.744 1.290 2.928 1.00 0.00 N ATOM 162 CA ALA A 11 -4.977 -0.137 3.293 1.00 0.00 C ATOM 163 C ALA A 11 -5.969 -0.767 2.310 1.00 0.00 C ATOM 164 O ALA A 11 -6.638 -1.730 2.626 1.00 0.00 O ATOM 165 CB ALA A 11 -5.549 -0.215 4.711 1.00 0.00 C ATOM 0 H ALA A 11 -5.380 1.961 3.360 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.032 -0.678 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.719 -1.258 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.843 0.228 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.493 0.329 4.753 1.00 0.00 H new ATOM 171 N VAL A 12 -6.082 -0.227 1.125 1.00 0.00 N ATOM 172 CA VAL A 12 -7.044 -0.797 0.144 1.00 0.00 C ATOM 173 C VAL A 12 -6.437 -0.821 -1.267 1.00 0.00 C ATOM 174 O VAL A 12 -6.808 -1.634 -2.090 1.00 0.00 O ATOM 175 CB VAL A 12 -8.301 0.068 0.135 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.959 1.465 -0.388 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.340 -0.573 -0.777 1.00 0.00 C ATOM 0 H VAL A 12 -5.551 0.580 0.798 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.283 -1.820 0.434 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.697 0.149 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.858 2.081 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.210 1.922 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.565 1.388 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.241 0.040 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.940 -0.649 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.583 -1.569 -0.408 1.00 0.00 H new ATOM 187 N LEU A 13 -5.526 0.067 -1.566 1.00 0.00 N ATOM 188 CA LEU A 13 -4.931 0.085 -2.934 1.00 0.00 C ATOM 189 C LEU A 13 -3.794 -0.937 -3.031 1.00 0.00 C ATOM 190 O LEU A 13 -3.567 -1.523 -4.071 1.00 0.00 O ATOM 191 CB LEU A 13 -4.390 1.485 -3.238 1.00 0.00 C ATOM 192 CG LEU A 13 -5.498 2.334 -3.867 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.007 3.772 -4.046 1.00 0.00 C ATOM 194 CD2 LEU A 13 -5.874 1.750 -5.230 1.00 0.00 C ATOM 0 H LEU A 13 -5.170 0.777 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.702 -0.175 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.032 1.955 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.539 1.419 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.371 2.330 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.798 4.373 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.740 4.189 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.133 3.780 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.663 2.353 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.000 1.753 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.228 0.727 -5.102 1.00 0.00 H new ATOM 206 N LEU A 14 -3.076 -1.161 -1.965 1.00 0.00 N ATOM 207 CA LEU A 14 -1.962 -2.153 -2.026 1.00 0.00 C ATOM 208 C LEU A 14 -2.541 -3.527 -2.358 1.00 0.00 C ATOM 209 O LEU A 14 -2.236 -4.109 -3.380 1.00 0.00 O ATOM 210 CB LEU A 14 -1.228 -2.218 -0.680 1.00 0.00 C ATOM 211 CG LEU A 14 -1.285 -0.856 0.015 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.237 -0.802 1.127 1.00 0.00 C ATOM 213 CD2 LEU A 14 -1.004 0.257 -0.998 1.00 0.00 C ATOM 0 H LEU A 14 -3.209 -0.706 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.252 -1.849 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.683 -2.978 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.190 -2.512 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.278 -0.716 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.280 0.169 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.438 -1.588 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.755 -0.948 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.046 1.224 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.013 0.115 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.752 0.226 -1.790 1.00 0.00 H new ATOM 225 N LYS A 15 -3.384 -4.048 -1.509 1.00 0.00 N ATOM 226 CA LYS A 15 -3.989 -5.379 -1.787 1.00 0.00 C ATOM 227 C LYS A 15 -4.535 -5.389 -3.216 1.00 0.00 C ATOM 228 O LYS A 15 -4.623 -6.420 -3.852 1.00 0.00 O ATOM 229 CB LYS A 15 -5.133 -5.637 -0.804 1.00 0.00 C ATOM 230 CG LYS A 15 -4.566 -5.798 0.608 1.00 0.00 C ATOM 231 CD LYS A 15 -5.124 -7.077 1.237 1.00 0.00 C ATOM 232 CE LYS A 15 -4.851 -7.066 2.742 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.145 -7.017 3.479 1.00 0.00 N ATOM 0 H LYS A 15 -3.679 -3.610 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.234 -6.157 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.843 -4.810 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.679 -6.535 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.478 -5.842 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.830 -4.934 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.196 -7.149 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.662 -7.952 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.291 -7.956 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.237 -6.205 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.061 -6.366 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.895 -6.683 2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.383 -7.968 3.826 1.00 0.00 H new ATOM 247 N LYS A 16 -4.901 -4.243 -3.725 1.00 0.00 N ATOM 248 CA LYS A 16 -5.440 -4.180 -5.113 1.00 0.00 C ATOM 249 C LYS A 16 -4.318 -4.485 -6.108 1.00 0.00 C ATOM 250 O LYS A 16 -4.494 -5.237 -7.044 1.00 0.00 O ATOM 251 CB LYS A 16 -5.993 -2.779 -5.380 1.00 0.00 C ATOM 252 CG LYS A 16 -7.335 -2.890 -6.106 1.00 0.00 C ATOM 253 CD LYS A 16 -7.139 -3.634 -7.428 1.00 0.00 C ATOM 254 CE LYS A 16 -8.241 -3.232 -8.410 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.630 -2.868 -9.720 1.00 0.00 N ATOM 0 H LYS A 16 -4.850 -3.348 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.238 -4.914 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.119 -2.241 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.288 -2.207 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.056 -3.419 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.743 -1.897 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.161 -3.400 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.164 -4.710 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.944 -4.054 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.807 -2.389 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.379 -2.595 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.975 -2.071 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.109 -3.684 -10.099 1.00 0.00 H new ATOM 269 N ALA A 17 -3.164 -3.906 -5.911 1.00 0.00 N ATOM 270 CA ALA A 17 -2.031 -4.162 -6.844 1.00 0.00 C ATOM 271 C ALA A 17 -1.782 -5.670 -6.944 1.00 0.00 C ATOM 272 O ALA A 17 -2.006 -6.278 -7.971 1.00 0.00 O ATOM 273 CB ALA A 17 -0.771 -3.472 -6.319 1.00 0.00 C ATOM 0 H ALA A 17 -2.958 -3.267 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.277 -3.768 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.058 -3.659 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.947 -2.399 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.525 -3.866 -5.333 1.00 0.00 H new ATOM 279 N ALA A 18 -1.322 -6.277 -5.884 1.00 0.00 N ATOM 280 CA ALA A 18 -1.061 -7.743 -5.919 1.00 0.00 C ATOM 281 C ALA A 18 -2.250 -8.455 -6.569 1.00 0.00 C ATOM 282 O ALA A 18 -2.087 -9.375 -7.346 1.00 0.00 O ATOM 283 CB ALA A 18 -0.873 -8.263 -4.493 1.00 0.00 C ATOM 0 H ALA A 18 -1.116 -5.820 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.158 -7.938 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.682 -9.336 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.027 -7.755 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.775 -8.069 -3.913 1.00 0.00 H new ATOM 289 N GLY A 19 -3.446 -8.035 -6.259 1.00 0.00 N ATOM 290 CA GLY A 19 -4.644 -8.686 -6.862 1.00 0.00 C ATOM 291 C GLY A 19 -5.460 -9.380 -5.769 1.00 0.00 C ATOM 292 O GLY A 19 -6.443 -10.039 -6.043 1.00 0.00 O ATOM 0 H GLY A 19 -3.646 -7.270 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.257 -7.942 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.335 -9.412 -7.615 1.00 0.00 H new ATOM 296 N ILE A 20 -5.065 -9.238 -4.534 1.00 0.00 N ATOM 297 CA ILE A 20 -5.826 -9.892 -3.432 1.00 0.00 C ATOM 298 C ILE A 20 -7.242 -9.315 -3.379 1.00 0.00 C ATOM 299 O ILE A 20 -7.435 -8.142 -3.129 1.00 0.00 O ATOM 300 CB ILE A 20 -5.119 -9.638 -2.101 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.631 -9.968 -2.245 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.733 -10.527 -1.018 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.805 -8.694 -2.065 1.00 0.00 C ATOM 0 H ILE A 20 -4.250 -8.699 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.878 -10.966 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.236 -8.591 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.339 -10.711 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.438 -10.404 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.228 -10.345 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.793 -10.296 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.615 -11.574 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.746 -8.930 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.090 -7.965 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.990 -8.277 -1.075 1.00 0.00 H new ATOM 315 N GLU A 21 -8.233 -10.130 -3.612 1.00 0.00 N ATOM 316 CA GLU A 21 -9.634 -9.628 -3.577 1.00 0.00 C ATOM 317 C GLU A 21 -10.221 -9.842 -2.180 1.00 0.00 C ATOM 318 O GLU A 21 -10.193 -8.961 -1.344 1.00 0.00 O ATOM 319 CB GLU A 21 -10.474 -10.389 -4.606 1.00 0.00 C ATOM 320 CG GLU A 21 -10.068 -9.955 -6.017 1.00 0.00 C ATOM 321 CD GLU A 21 -11.099 -8.966 -6.564 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.620 -8.189 -5.780 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.350 -9.001 -7.757 1.00 0.00 O ATOM 0 H GLU A 21 -8.133 -11.122 -3.825 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.644 -8.564 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.328 -11.463 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.534 -10.192 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.081 -9.493 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.000 -10.824 -6.671 1.00 0.00 H new ATOM 330 N SER A 22 -10.751 -11.006 -1.919 1.00 0.00 N ATOM 331 CA SER A 22 -11.337 -11.270 -0.575 1.00 0.00 C ATOM 332 C SER A 22 -12.093 -12.600 -0.601 1.00 0.00 C ATOM 333 O SER A 22 -13.295 -12.645 -0.423 1.00 0.00 O ATOM 334 CB SER A 22 -12.304 -10.143 -0.210 1.00 0.00 C ATOM 335 OG SER A 22 -11.612 -9.155 0.542 1.00 0.00 O ATOM 0 H SER A 22 -10.803 -11.784 -2.577 1.00 0.00 H new ATOM 0 HA SER A 22 -10.539 -11.319 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.723 -9.701 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.139 -10.538 0.368 1.00 0.00 H new ATOM 0 HG SER A 22 -10.722 -9.014 0.156 1.00 0.00 H new ATOM 341 N GLY A 23 -11.401 -13.684 -0.819 1.00 0.00 N ATOM 342 CA GLY A 23 -12.083 -15.008 -0.855 1.00 0.00 C ATOM 343 C GLY A 23 -11.417 -15.953 0.145 1.00 0.00 C ATOM 344 O GLY A 23 -10.574 -15.553 0.925 1.00 0.00 O ATOM 0 H GLY A 23 -10.393 -13.710 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.139 -14.891 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.031 -15.429 -1.859 1.00 0.00 H new ATOM 348 N SER A 24 -11.787 -17.203 0.130 1.00 0.00 N ATOM 349 CA SER A 24 -11.174 -18.174 1.079 1.00 0.00 C ATOM 350 C SER A 24 -11.447 -19.601 0.598 1.00 0.00 C ATOM 351 O SER A 24 -12.306 -19.833 -0.228 1.00 0.00 O ATOM 352 CB SER A 24 -11.780 -17.981 2.470 1.00 0.00 C ATOM 353 OG SER A 24 -10.806 -17.403 3.330 1.00 0.00 O ATOM 0 H SER A 24 -12.488 -17.595 -0.499 1.00 0.00 H new ATOM 0 HA SER A 24 -10.098 -18.006 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.658 -17.337 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.113 -18.938 2.870 1.00 0.00 H new ATOM 0 HG SER A 24 -10.383 -16.642 2.880 1.00 0.00 H new ATOM 359 N GLY A 25 -10.722 -20.557 1.110 1.00 0.00 N ATOM 360 CA GLY A 25 -10.940 -21.969 0.682 1.00 0.00 C ATOM 361 C GLY A 25 -10.552 -22.126 -0.789 1.00 0.00 C ATOM 362 O GLY A 25 -11.285 -22.691 -1.576 1.00 0.00 O ATOM 0 H GLY A 25 -9.988 -20.422 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.345 -22.642 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.985 -22.245 0.824 1.00 0.00 H new ATOM 366 N GLU A 26 -9.405 -21.631 -1.166 1.00 0.00 N ATOM 367 CA GLU A 26 -8.972 -21.753 -2.586 1.00 0.00 C ATOM 368 C GLU A 26 -7.443 -21.701 -2.659 1.00 0.00 C ATOM 369 O GLU A 26 -6.883 -20.800 -3.253 1.00 0.00 O ATOM 370 CB GLU A 26 -9.561 -20.599 -3.399 1.00 0.00 C ATOM 371 CG GLU A 26 -10.904 -21.028 -3.994 1.00 0.00 C ATOM 372 CD GLU A 26 -10.906 -20.760 -5.500 1.00 0.00 C ATOM 373 OE1 GLU A 26 -10.071 -19.990 -5.945 1.00 0.00 O ATOM 374 OE2 GLU A 26 -11.741 -21.330 -6.182 1.00 0.00 O ATOM 0 H GLU A 26 -8.749 -21.148 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.323 -22.701 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.696 -19.724 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.873 -20.312 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.077 -22.087 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.717 -20.481 -3.516 1.00 0.00 H new ATOM 381 N PRO A 27 -6.813 -22.672 -2.048 1.00 0.00 N ATOM 382 CA PRO A 27 -5.344 -22.772 -2.019 1.00 0.00 C ATOM 383 C PRO A 27 -4.817 -23.306 -3.354 1.00 0.00 C ATOM 384 O PRO A 27 -4.451 -24.459 -3.472 1.00 0.00 O ATOM 385 CB PRO A 27 -5.073 -23.764 -0.884 1.00 0.00 C ATOM 386 CG PRO A 27 -6.369 -24.592 -0.711 1.00 0.00 C ATOM 387 CD PRO A 27 -7.508 -23.761 -1.331 1.00 0.00 C ATOM 0 HA PRO A 27 -4.851 -21.812 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.229 -24.410 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.820 -23.240 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.280 -25.559 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.564 -24.791 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.115 -24.361 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.178 -23.370 -0.565 1.00 0.00 H new ATOM 395 N ASN A 28 -4.775 -22.475 -4.358 1.00 0.00 N ATOM 396 CA ASN A 28 -4.271 -22.930 -5.685 1.00 0.00 C ATOM 397 C ASN A 28 -3.926 -21.709 -6.540 1.00 0.00 C ATOM 398 O ASN A 28 -4.793 -21.053 -7.081 1.00 0.00 O ATOM 399 CB ASN A 28 -5.349 -23.758 -6.387 1.00 0.00 C ATOM 400 CG ASN A 28 -6.649 -22.953 -6.458 1.00 0.00 C ATOM 401 OD1 ASN A 28 -6.905 -22.246 -7.524 1.00 0.00 O flip ATOM 402 ND2 ASN A 28 -7.437 -22.967 -5.533 1.00 0.00 N flip ATOM 0 H ASN A 28 -5.068 -21.499 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.380 -23.543 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.020 -24.026 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.515 -24.690 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.236 -23.520 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.300 -22.426 -5.590 1.00 0.00 H new ATOM 409 N ARG A 29 -2.663 -21.397 -6.663 1.00 0.00 N ATOM 410 CA ARG A 29 -2.263 -20.217 -7.480 1.00 0.00 C ATOM 411 C ARG A 29 -2.803 -18.942 -6.828 1.00 0.00 C ATOM 412 O ARG A 29 -3.144 -17.987 -7.497 1.00 0.00 O ATOM 413 CB ARG A 29 -2.840 -20.353 -8.891 1.00 0.00 C ATOM 414 CG ARG A 29 -2.215 -19.295 -9.804 1.00 0.00 C ATOM 415 CD ARG A 29 -1.132 -19.944 -10.668 1.00 0.00 C ATOM 416 NE ARG A 29 0.192 -19.352 -10.329 1.00 0.00 N ATOM 417 CZ ARG A 29 0.546 -18.206 -10.845 1.00 0.00 C ATOM 418 NH1 ARG A 29 -0.359 -17.414 -11.353 1.00 0.00 N ATOM 419 NH2 ARG A 29 1.802 -17.855 -10.853 1.00 0.00 N ATOM 0 H ARG A 29 -1.892 -21.909 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.176 -20.165 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.640 -21.350 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.923 -20.232 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.981 -18.847 -10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.785 -18.491 -9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.115 -21.021 -10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.352 -19.789 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 29 0.822 -19.842 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.341 -17.691 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.084 -16.518 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.508 -18.476 -10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.079 -16.960 -11.256 1.00 0.00 H new ATOM 433 N ASN A 30 -2.881 -18.919 -5.525 1.00 0.00 N ATOM 434 CA ASN A 30 -3.398 -17.708 -4.827 1.00 0.00 C ATOM 435 C ASN A 30 -3.106 -17.822 -3.330 1.00 0.00 C ATOM 436 O ASN A 30 -3.832 -17.303 -2.506 1.00 0.00 O ATOM 437 CB ASN A 30 -4.909 -17.600 -5.044 1.00 0.00 C ATOM 438 CG ASN A 30 -5.197 -16.601 -6.166 1.00 0.00 C ATOM 439 OD1 ASN A 30 -5.700 -16.969 -7.209 1.00 0.00 O ATOM 440 ND2 ASN A 30 -4.897 -15.342 -5.997 1.00 0.00 N ATOM 0 H ASN A 30 -2.608 -19.688 -4.913 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.909 -16.820 -5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.321 -18.577 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.397 -17.279 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.085 -14.669 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.475 -15.031 -5.122 1.00 0.00 H new ATOM 447 N LYS A 31 -2.048 -18.496 -2.971 1.00 0.00 N ATOM 448 CA LYS A 31 -1.713 -18.643 -1.526 1.00 0.00 C ATOM 449 C LYS A 31 -0.483 -17.793 -1.197 1.00 0.00 C ATOM 450 O LYS A 31 0.419 -18.228 -0.508 1.00 0.00 O ATOM 451 CB LYS A 31 -1.416 -20.111 -1.216 1.00 0.00 C ATOM 452 CG LYS A 31 -1.553 -20.353 0.288 1.00 0.00 C ATOM 453 CD LYS A 31 -1.406 -21.847 0.580 1.00 0.00 C ATOM 454 CE LYS A 31 -0.148 -22.381 -0.107 1.00 0.00 C ATOM 455 NZ LYS A 31 -0.528 -23.070 -1.373 1.00 0.00 N ATOM 0 H LYS A 31 -1.401 -18.951 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.557 -18.309 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.104 -20.756 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.409 -20.367 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.792 -19.789 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.522 -19.997 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.344 -22.014 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.284 -22.386 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.539 -21.562 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.374 -23.073 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.462 -24.100 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.504 -22.816 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.116 -22.776 -2.135 1.00 0.00 H new ATOM 469 N VAL A 32 -0.442 -16.584 -1.682 1.00 0.00 N ATOM 470 CA VAL A 32 0.725 -15.701 -1.400 1.00 0.00 C ATOM 471 C VAL A 32 0.416 -14.289 -1.897 1.00 0.00 C ATOM 472 O VAL A 32 -0.532 -14.074 -2.628 1.00 0.00 O ATOM 473 CB VAL A 32 1.963 -16.241 -2.121 1.00 0.00 C ATOM 474 CG1 VAL A 32 1.814 -16.023 -3.628 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.206 -15.502 -1.620 1.00 0.00 C ATOM 0 H VAL A 32 -1.169 -16.167 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 32 0.917 -15.678 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 32 2.065 -17.307 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.696 -16.408 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.928 -16.548 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.711 -14.957 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.088 -15.885 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.102 -14.436 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.314 -15.657 -0.547 1.00 0.00 H new ATOM 485 N ALA A 33 1.200 -13.322 -1.507 1.00 0.00 N ATOM 486 CA ALA A 33 0.933 -11.930 -1.963 1.00 0.00 C ATOM 487 C ALA A 33 2.215 -11.099 -1.883 1.00 0.00 C ATOM 488 O ALA A 33 2.460 -10.411 -0.912 1.00 0.00 O ATOM 489 CB ALA A 33 -0.136 -11.298 -1.069 1.00 0.00 C ATOM 0 H ALA A 33 2.009 -13.435 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 33 0.584 -11.953 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.332 -10.279 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.054 -11.883 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.216 -11.281 -0.037 1.00 0.00 H new ATOM 495 N THR A 34 3.029 -11.146 -2.902 1.00 0.00 N ATOM 496 CA THR A 34 4.285 -10.346 -2.886 1.00 0.00 C ATOM 497 C THR A 34 4.078 -9.086 -3.726 1.00 0.00 C ATOM 498 O THR A 34 3.622 -9.147 -4.850 1.00 0.00 O ATOM 499 CB THR A 34 5.434 -11.167 -3.474 1.00 0.00 C ATOM 500 OG1 THR A 34 4.905 -12.222 -4.267 1.00 0.00 O ATOM 501 CG2 THR A 34 6.280 -11.749 -2.341 1.00 0.00 C ATOM 0 H THR A 34 2.879 -11.703 -3.743 1.00 0.00 H new ATOM 0 HA THR A 34 4.532 -10.075 -1.860 1.00 0.00 H new ATOM 0 HB THR A 34 6.058 -10.525 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.392 -11.845 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.098 -12.334 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.687 -10.938 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.659 -12.391 -1.716 1.00 0.00 H new ATOM 509 N ILE A 35 4.404 -7.944 -3.190 1.00 0.00 N ATOM 510 CA ILE A 35 4.215 -6.684 -3.963 1.00 0.00 C ATOM 511 C ILE A 35 5.573 -6.039 -4.241 1.00 0.00 C ATOM 512 O ILE A 35 6.192 -5.472 -3.362 1.00 0.00 O ATOM 513 CB ILE A 35 3.354 -5.713 -3.155 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.940 -6.281 -3.011 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.287 -4.367 -3.879 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.036 -5.236 -2.357 1.00 0.00 C ATOM 0 H ILE A 35 4.792 -7.828 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 35 3.722 -6.915 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 35 3.794 -5.575 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.546 -6.557 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.961 -7.189 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.673 -3.674 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.293 -3.960 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.847 -4.507 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.029 -5.640 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.427 -4.982 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.006 -4.341 -2.978 1.00 0.00 H new ATOM 528 N LYS A 36 6.039 -6.108 -5.458 1.00 0.00 N ATOM 529 CA LYS A 36 7.352 -5.484 -5.781 1.00 0.00 C ATOM 530 C LYS A 36 7.364 -4.052 -5.246 1.00 0.00 C ATOM 531 O LYS A 36 6.328 -3.459 -5.021 1.00 0.00 O ATOM 532 CB LYS A 36 7.551 -5.465 -7.299 1.00 0.00 C ATOM 533 CG LYS A 36 8.123 -6.807 -7.759 1.00 0.00 C ATOM 534 CD LYS A 36 9.463 -6.579 -8.462 1.00 0.00 C ATOM 535 CE LYS A 36 9.275 -6.710 -9.975 1.00 0.00 C ATOM 536 NZ LYS A 36 9.559 -8.112 -10.393 1.00 0.00 N ATOM 0 H LYS A 36 5.570 -6.567 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 36 8.157 -6.058 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.601 -5.273 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.226 -4.656 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.257 -7.469 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.425 -7.299 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.850 -5.590 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.197 -7.304 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.256 -6.437 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.941 -6.022 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.431 -8.200 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.539 -8.357 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.906 -8.758 -9.906 1.00 0.00 H new ATOM 550 N ARG A 37 8.521 -3.489 -5.041 1.00 0.00 N ATOM 551 CA ARG A 37 8.582 -2.097 -4.523 1.00 0.00 C ATOM 552 C ARG A 37 8.315 -1.128 -5.671 1.00 0.00 C ATOM 553 O ARG A 37 7.764 -0.061 -5.486 1.00 0.00 O ATOM 554 CB ARG A 37 9.972 -1.831 -3.945 1.00 0.00 C ATOM 555 CG ARG A 37 9.841 -1.009 -2.664 1.00 0.00 C ATOM 556 CD ARG A 37 9.140 -1.838 -1.587 1.00 0.00 C ATOM 557 NE ARG A 37 10.033 -1.963 -0.402 1.00 0.00 N ATOM 558 CZ ARG A 37 10.149 -0.964 0.429 1.00 0.00 C ATOM 559 NH1 ARG A 37 9.153 -0.650 1.211 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.258 -0.278 0.476 1.00 0.00 N ATOM 0 H ARG A 37 9.424 -3.932 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 37 7.834 -1.959 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.477 -2.774 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.584 -1.297 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.827 -0.702 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.275 -0.099 -2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.201 -1.364 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.893 -2.826 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 37 10.552 -2.826 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.286 -1.185 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.242 0.131 1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.035 -0.523 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.347 0.503 1.126 1.00 0.00 H new ATOM 574 N ASP A 38 8.702 -1.496 -6.859 1.00 0.00 N ATOM 575 CA ASP A 38 8.474 -0.604 -8.027 1.00 0.00 C ATOM 576 C ASP A 38 6.975 -0.338 -8.185 1.00 0.00 C ATOM 577 O ASP A 38 6.566 0.576 -8.874 1.00 0.00 O ATOM 578 CB ASP A 38 9.007 -1.277 -9.294 1.00 0.00 C ATOM 579 CG ASP A 38 10.535 -1.321 -9.245 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.121 -0.351 -8.795 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.093 -2.325 -9.658 1.00 0.00 O ATOM 0 H ASP A 38 9.168 -2.378 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 38 8.995 0.340 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.606 -2.287 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.677 -0.729 -10.176 1.00 0.00 H new ATOM 586 N LYS A 39 6.152 -1.131 -7.553 1.00 0.00 N ATOM 587 CA LYS A 39 4.681 -0.924 -7.668 1.00 0.00 C ATOM 588 C LYS A 39 4.147 -0.319 -6.368 1.00 0.00 C ATOM 589 O LYS A 39 3.524 0.725 -6.368 1.00 0.00 O ATOM 590 CB LYS A 39 3.993 -2.267 -7.922 1.00 0.00 C ATOM 591 CG LYS A 39 3.454 -2.300 -9.353 1.00 0.00 C ATOM 592 CD LYS A 39 1.925 -2.363 -9.323 1.00 0.00 C ATOM 593 CE LYS A 39 1.383 -2.299 -10.751 1.00 0.00 C ATOM 594 NZ LYS A 39 0.828 -0.941 -11.011 1.00 0.00 N ATOM 0 H LYS A 39 6.435 -1.913 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 39 4.475 -0.247 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.698 -3.084 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.179 -2.411 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.781 -1.414 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.854 -3.164 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.598 -3.284 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.528 -1.536 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.178 -2.521 -11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.609 -3.053 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.568 -0.859 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.016 -0.792 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.544 -0.223 -10.779 1.00 0.00 H new ATOM 608 N VAL A 40 4.385 -0.964 -5.259 1.00 0.00 N ATOM 609 CA VAL A 40 3.890 -0.421 -3.964 1.00 0.00 C ATOM 610 C VAL A 40 4.205 1.079 -3.900 1.00 0.00 C ATOM 611 O VAL A 40 3.433 1.867 -3.391 1.00 0.00 O ATOM 612 CB VAL A 40 4.564 -1.184 -2.806 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.732 -0.382 -2.214 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.530 -1.449 -1.710 1.00 0.00 C ATOM 0 H VAL A 40 4.900 -1.842 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 40 2.811 -0.552 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 40 4.956 -2.123 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.186 -0.947 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.477 -0.199 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.363 0.570 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.001 -1.988 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.137 -0.501 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.714 -2.047 -2.116 1.00 0.00 H new ATOM 624 N ARG A 41 5.336 1.474 -4.419 1.00 0.00 N ATOM 625 CA ARG A 41 5.709 2.916 -4.397 1.00 0.00 C ATOM 626 C ARG A 41 4.845 3.680 -5.402 1.00 0.00 C ATOM 627 O ARG A 41 4.406 4.784 -5.145 1.00 0.00 O ATOM 628 CB ARG A 41 7.183 3.066 -4.777 1.00 0.00 C ATOM 629 CG ARG A 41 7.595 4.534 -4.656 1.00 0.00 C ATOM 630 CD ARG A 41 8.552 4.893 -5.795 1.00 0.00 C ATOM 631 NE ARG A 41 9.874 4.251 -5.554 1.00 0.00 N ATOM 632 CZ ARG A 41 10.301 3.315 -6.356 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.439 3.560 -7.631 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.591 2.132 -5.885 1.00 0.00 N ATOM 0 H ARG A 41 6.019 0.857 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 41 5.548 3.319 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.802 2.449 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.344 2.715 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.713 5.174 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.076 4.709 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.142 4.559 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.668 5.975 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 41 10.446 4.543 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.213 4.484 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.773 2.828 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.484 1.939 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.925 1.401 -6.513 1.00 0.00 H new ATOM 648 N GLU A 42 4.597 3.104 -6.548 1.00 0.00 N ATOM 649 CA GLU A 42 3.762 3.799 -7.568 1.00 0.00 C ATOM 650 C GLU A 42 2.460 4.277 -6.923 1.00 0.00 C ATOM 651 O GLU A 42 2.141 5.449 -6.940 1.00 0.00 O ATOM 652 CB GLU A 42 3.441 2.831 -8.709 1.00 0.00 C ATOM 653 CG GLU A 42 3.696 3.519 -10.052 1.00 0.00 C ATOM 654 CD GLU A 42 2.861 2.843 -11.141 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.982 2.071 -10.793 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.113 3.109 -12.304 1.00 0.00 O ATOM 0 H GLU A 42 4.937 2.182 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 42 4.308 4.657 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.057 1.936 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.401 2.509 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.438 4.576 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.755 3.464 -10.305 1.00 0.00 H new ATOM 663 N ILE A 43 1.703 3.378 -6.357 1.00 0.00 N ATOM 664 CA ILE A 43 0.420 3.777 -5.713 1.00 0.00 C ATOM 665 C ILE A 43 0.700 4.769 -4.581 1.00 0.00 C ATOM 666 O ILE A 43 0.077 5.810 -4.483 1.00 0.00 O ATOM 667 CB ILE A 43 -0.272 2.536 -5.148 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.777 1.665 -6.303 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.455 2.961 -4.277 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.190 0.259 -6.178 1.00 0.00 C ATOM 0 H ILE A 43 1.918 2.382 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.227 4.249 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 43 0.437 1.968 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.866 1.618 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.490 2.106 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.947 2.076 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.097 3.582 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.164 3.529 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.550 -0.360 -7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.898 0.314 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.499 -0.181 -5.230 1.00 0.00 H new ATOM 682 N ALA A 44 1.633 4.456 -3.725 1.00 0.00 N ATOM 683 CA ALA A 44 1.952 5.378 -2.600 1.00 0.00 C ATOM 684 C ALA A 44 2.393 6.728 -3.163 1.00 0.00 C ATOM 685 O ALA A 44 2.433 7.721 -2.464 1.00 0.00 O ATOM 686 CB ALA A 44 3.081 4.783 -1.761 1.00 0.00 C ATOM 0 H ALA A 44 2.188 3.601 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 44 1.069 5.514 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.316 5.457 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.769 3.818 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.966 4.649 -2.384 1.00 0.00 H new ATOM 692 N GLU A 45 2.724 6.773 -4.424 1.00 0.00 N ATOM 693 CA GLU A 45 3.158 8.059 -5.035 1.00 0.00 C ATOM 694 C GLU A 45 1.924 8.855 -5.455 1.00 0.00 C ATOM 695 O GLU A 45 1.874 10.061 -5.319 1.00 0.00 O ATOM 696 CB GLU A 45 4.026 7.774 -6.263 1.00 0.00 C ATOM 697 CG GLU A 45 5.171 8.787 -6.324 1.00 0.00 C ATOM 698 CD GLU A 45 4.694 10.056 -7.034 1.00 0.00 C ATOM 699 OE1 GLU A 45 3.562 10.067 -7.487 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.471 10.994 -7.114 1.00 0.00 O ATOM 0 H GLU A 45 2.712 5.974 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 45 3.736 8.633 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.425 6.761 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.424 7.835 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.512 9.027 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.021 8.359 -6.855 1.00 0.00 H new ATOM 707 N LEU A 46 0.924 8.188 -5.961 1.00 0.00 N ATOM 708 CA LEU A 46 -0.309 8.907 -6.384 1.00 0.00 C ATOM 709 C LEU A 46 -0.930 9.593 -5.165 1.00 0.00 C ATOM 710 O LEU A 46 -1.275 10.757 -5.206 1.00 0.00 O ATOM 711 CB LEU A 46 -1.304 7.910 -6.979 1.00 0.00 C ATOM 712 CG LEU A 46 -0.886 7.565 -8.410 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.420 6.110 -8.471 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.079 7.756 -9.350 1.00 0.00 C ATOM 0 H LEU A 46 0.908 7.178 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.060 9.655 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.338 7.006 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.308 8.335 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.071 8.221 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.123 5.866 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.430 5.972 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.234 5.454 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.782 7.510 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.894 7.101 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.412 8.793 -9.309 1.00 0.00 H new ATOM 726 N LYS A 47 -1.066 8.884 -4.076 1.00 0.00 N ATOM 727 CA LYS A 47 -1.655 9.506 -2.855 1.00 0.00 C ATOM 728 C LYS A 47 -0.525 10.039 -1.972 1.00 0.00 C ATOM 729 O LYS A 47 -0.634 10.086 -0.764 1.00 0.00 O ATOM 730 CB LYS A 47 -2.452 8.459 -2.071 1.00 0.00 C ATOM 731 CG LYS A 47 -3.221 7.552 -3.037 1.00 0.00 C ATOM 732 CD LYS A 47 -2.853 6.092 -2.763 1.00 0.00 C ATOM 733 CE LYS A 47 -3.017 5.792 -1.270 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.137 4.831 -1.076 1.00 0.00 N ATOM 0 H LYS A 47 -0.796 7.905 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.318 10.320 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.778 7.861 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.147 8.953 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.294 7.698 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.980 7.812 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.490 5.430 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.825 5.901 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.093 5.376 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.216 6.714 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.393 4.795 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.960 5.140 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.841 3.885 -1.392 1.00 0.00 H new ATOM 748 N MET A 48 0.565 10.434 -2.569 1.00 0.00 N ATOM 749 CA MET A 48 1.711 10.952 -1.770 1.00 0.00 C ATOM 750 C MET A 48 1.349 12.291 -1.101 1.00 0.00 C ATOM 751 O MET A 48 1.624 12.477 0.068 1.00 0.00 O ATOM 752 CB MET A 48 2.931 11.122 -2.689 1.00 0.00 C ATOM 753 CG MET A 48 3.927 12.108 -2.072 1.00 0.00 C ATOM 754 SD MET A 48 5.437 12.141 -3.070 1.00 0.00 S ATOM 755 CE MET A 48 6.554 12.721 -1.771 1.00 0.00 C ATOM 0 H MET A 48 0.712 10.420 -3.578 1.00 0.00 H new ATOM 0 HA MET A 48 1.948 10.239 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.414 10.157 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.611 11.482 -3.667 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.487 13.104 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.161 11.814 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.014 13.660 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.992 12.877 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.331 11.976 -1.600 1.00 0.00 H new ATOM 765 N PRO A 49 0.759 13.191 -1.851 1.00 0.00 N ATOM 766 CA PRO A 49 0.380 14.516 -1.326 1.00 0.00 C ATOM 767 C PRO A 49 -0.903 14.428 -0.491 1.00 0.00 C ATOM 768 O PRO A 49 -1.402 15.421 -0.001 1.00 0.00 O ATOM 769 CB PRO A 49 0.152 15.351 -2.588 1.00 0.00 C ATOM 770 CG PRO A 49 -0.144 14.348 -3.727 1.00 0.00 C ATOM 771 CD PRO A 49 0.416 12.986 -3.274 1.00 0.00 C ATOM 0 HA PRO A 49 1.136 14.942 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.681 16.041 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.031 15.953 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.215 14.282 -3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.325 14.669 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.321 12.192 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.291 12.701 -3.858 1.00 0.00 H new ATOM 779 N ASP A 50 -1.441 13.252 -0.325 1.00 0.00 N ATOM 780 CA ASP A 50 -2.692 13.114 0.477 1.00 0.00 C ATOM 781 C ASP A 50 -2.384 12.400 1.795 1.00 0.00 C ATOM 782 O ASP A 50 -3.159 12.443 2.729 1.00 0.00 O ATOM 783 CB ASP A 50 -3.717 12.299 -0.314 1.00 0.00 C ATOM 784 CG ASP A 50 -3.911 12.925 -1.696 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.728 13.824 -1.808 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.240 12.494 -2.619 1.00 0.00 O ATOM 0 H ASP A 50 -1.071 12.382 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.096 14.104 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.378 11.268 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.666 12.272 0.221 1.00 0.00 H new ATOM 791 N LEU A 51 -1.261 11.741 1.879 1.00 0.00 N ATOM 792 CA LEU A 51 -0.911 11.025 3.138 1.00 0.00 C ATOM 793 C LEU A 51 -0.033 11.923 4.013 1.00 0.00 C ATOM 794 O LEU A 51 0.670 11.458 4.887 1.00 0.00 O ATOM 795 CB LEU A 51 -0.152 9.740 2.802 1.00 0.00 C ATOM 796 CG LEU A 51 -0.909 8.967 1.720 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.090 8.211 0.841 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.866 7.971 2.379 1.00 0.00 C ATOM 0 H LEU A 51 -0.571 11.667 1.131 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.825 10.776 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.854 9.979 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.044 9.125 3.695 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.478 9.664 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.448 7.660 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.771 8.921 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.660 7.513 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.405 7.420 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.298 7.273 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.577 8.510 3.005 1.00 0.00 H new ATOM 810 N ASN A 52 -0.069 13.208 3.786 1.00 0.00 N ATOM 811 CA ASN A 52 0.765 14.133 4.609 1.00 0.00 C ATOM 812 C ASN A 52 2.204 13.616 4.657 1.00 0.00 C ATOM 813 O ASN A 52 2.898 13.777 5.640 1.00 0.00 O ATOM 814 CB ASN A 52 0.201 14.198 6.030 1.00 0.00 C ATOM 815 CG ASN A 52 -0.709 15.421 6.164 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.917 15.296 6.177 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.174 16.608 6.264 1.00 0.00 N ATOM 0 H ASN A 52 -0.638 13.657 3.068 1.00 0.00 H new ATOM 0 HA ASN A 52 0.750 15.128 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.359 13.289 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.015 14.256 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.771 17.430 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.841 16.713 6.253 1.00 0.00 H new ATOM 824 N ALA A 53 2.656 12.994 3.602 1.00 0.00 N ATOM 825 CA ALA A 53 4.049 12.466 3.590 1.00 0.00 C ATOM 826 C ALA A 53 4.981 13.492 2.942 1.00 0.00 C ATOM 827 O ALA A 53 4.961 13.695 1.745 1.00 0.00 O ATOM 828 CB ALA A 53 4.091 11.163 2.790 1.00 0.00 C ATOM 0 H ALA A 53 2.121 12.829 2.749 1.00 0.00 H new ATOM 0 HA ALA A 53 4.374 12.277 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.110 10.775 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.428 10.431 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.765 11.353 1.767 1.00 0.00 H new ATOM 834 N ALA A 54 5.802 14.141 3.724 1.00 0.00 N ATOM 835 CA ALA A 54 6.735 15.151 3.149 1.00 0.00 C ATOM 836 C ALA A 54 7.611 14.478 2.090 1.00 0.00 C ATOM 837 O ALA A 54 8.223 15.131 1.267 1.00 0.00 O ATOM 838 CB ALA A 54 7.621 15.719 4.260 1.00 0.00 C ATOM 0 H ALA A 54 5.866 14.015 4.734 1.00 0.00 H new ATOM 0 HA ALA A 54 6.165 15.961 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.303 16.458 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.996 16.192 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.195 14.912 4.715 1.00 0.00 H new ATOM 844 N SER A 55 7.673 13.175 2.104 1.00 0.00 N ATOM 845 CA SER A 55 8.504 12.454 1.101 1.00 0.00 C ATOM 846 C SER A 55 8.015 11.009 0.986 1.00 0.00 C ATOM 847 O SER A 55 7.109 10.596 1.682 1.00 0.00 O ATOM 848 CB SER A 55 9.967 12.464 1.549 1.00 0.00 C ATOM 849 OG SER A 55 10.023 12.574 2.965 1.00 0.00 O ATOM 0 H SER A 55 7.182 12.577 2.769 1.00 0.00 H new ATOM 0 HA SER A 55 8.419 12.947 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.465 11.551 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.495 13.298 1.087 1.00 0.00 H new ATOM 0 HG SER A 55 10.959 12.579 3.256 1.00 0.00 H new ATOM 855 N ILE A 56 8.606 10.236 0.117 1.00 0.00 N ATOM 856 CA ILE A 56 8.167 8.820 -0.033 1.00 0.00 C ATOM 857 C ILE A 56 8.538 8.041 1.229 1.00 0.00 C ATOM 858 O ILE A 56 7.751 7.281 1.755 1.00 0.00 O ATOM 859 CB ILE A 56 8.863 8.189 -1.239 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.728 9.113 -2.453 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.215 6.840 -1.552 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.250 9.272 -2.815 1.00 0.00 C ATOM 0 H ILE A 56 9.371 10.522 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 56 7.088 8.790 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 56 9.919 8.043 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.165 10.087 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.278 8.701 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.710 6.389 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.313 6.180 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.159 6.987 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.156 9.930 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.827 8.296 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.713 9.703 -1.970 1.00 0.00 H new ATOM 874 N GLU A 57 9.733 8.222 1.721 1.00 0.00 N ATOM 875 CA GLU A 57 10.147 7.491 2.951 1.00 0.00 C ATOM 876 C GLU A 57 9.011 7.549 3.974 1.00 0.00 C ATOM 877 O GLU A 57 8.854 6.667 4.795 1.00 0.00 O ATOM 878 CB GLU A 57 11.400 8.147 3.536 1.00 0.00 C ATOM 879 CG GLU A 57 12.611 7.790 2.671 1.00 0.00 C ATOM 880 CD GLU A 57 13.814 8.632 3.101 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.897 8.955 4.275 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.632 8.939 2.249 1.00 0.00 O ATOM 0 H GLU A 57 10.439 8.843 1.325 1.00 0.00 H new ATOM 0 HA GLU A 57 10.366 6.452 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.273 9.229 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.558 7.808 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.842 6.729 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.386 7.970 1.620 1.00 0.00 H new ATOM 889 N ALA A 58 8.211 8.581 3.925 1.00 0.00 N ATOM 890 CA ALA A 58 7.080 8.695 4.886 1.00 0.00 C ATOM 891 C ALA A 58 5.836 8.032 4.288 1.00 0.00 C ATOM 892 O ALA A 58 5.047 7.427 4.987 1.00 0.00 O ATOM 893 CB ALA A 58 6.789 10.172 5.161 1.00 0.00 C ATOM 0 H ALA A 58 8.294 9.350 3.260 1.00 0.00 H new ATOM 0 HA ALA A 58 7.345 8.198 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.961 10.255 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.675 10.644 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.524 10.670 4.229 1.00 0.00 H new ATOM 899 N ALA A 59 5.654 8.137 2.999 1.00 0.00 N ATOM 900 CA ALA A 59 4.464 7.505 2.361 1.00 0.00 C ATOM 901 C ALA A 59 4.722 6.008 2.193 1.00 0.00 C ATOM 902 O ALA A 59 4.098 5.181 2.834 1.00 0.00 O ATOM 903 CB ALA A 59 4.219 8.144 0.992 1.00 0.00 C ATOM 0 H ALA A 59 6.277 8.632 2.361 1.00 0.00 H new ATOM 0 HA ALA A 59 3.586 7.655 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.349 7.682 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.040 9.212 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.093 7.994 0.359 1.00 0.00 H new ATOM 909 N MET A 60 5.645 5.647 1.343 1.00 0.00 N ATOM 910 CA MET A 60 5.945 4.204 1.149 1.00 0.00 C ATOM 911 C MET A 60 6.049 3.535 2.519 1.00 0.00 C ATOM 912 O MET A 60 5.814 2.354 2.661 1.00 0.00 O ATOM 913 CB MET A 60 7.267 4.047 0.393 1.00 0.00 C ATOM 914 CG MET A 60 8.436 4.398 1.317 1.00 0.00 C ATOM 915 SD MET A 60 9.342 2.890 1.746 1.00 0.00 S ATOM 916 CE MET A 60 9.578 2.278 0.059 1.00 0.00 C ATOM 0 H MET A 60 6.201 6.288 0.777 1.00 0.00 H new ATOM 0 HA MET A 60 5.150 3.735 0.568 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.371 3.024 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.275 4.696 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.102 5.107 0.825 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.066 4.882 2.221 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.612 1.957 -0.070 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.911 1.434 -0.119 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.354 3.074 -0.651 1.00 0.00 H new ATOM 926 N ARG A 61 6.392 4.286 3.532 1.00 0.00 N ATOM 927 CA ARG A 61 6.496 3.695 4.895 1.00 0.00 C ATOM 928 C ARG A 61 5.126 3.152 5.300 1.00 0.00 C ATOM 929 O ARG A 61 4.976 1.990 5.620 1.00 0.00 O ATOM 930 CB ARG A 61 6.944 4.777 5.889 1.00 0.00 C ATOM 931 CG ARG A 61 6.591 4.350 7.319 1.00 0.00 C ATOM 932 CD ARG A 61 7.766 4.643 8.252 1.00 0.00 C ATOM 933 NE ARG A 61 7.325 4.491 9.668 1.00 0.00 N ATOM 934 CZ ARG A 61 8.124 3.951 10.549 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.756 2.846 10.265 1.00 0.00 N ATOM 936 NH2 ARG A 61 8.289 4.518 11.713 1.00 0.00 N ATOM 0 H ARG A 61 6.604 5.282 3.473 1.00 0.00 H new ATOM 0 HA ARG A 61 7.227 2.887 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.018 4.939 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.459 5.724 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.703 4.883 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.353 3.287 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.590 3.962 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.136 5.654 8.082 1.00 0.00 H new ATOM 0 HE ARG A 61 6.398 4.809 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.626 2.404 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.380 2.424 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.794 5.382 11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.913 4.097 12.402 1.00 0.00 H new ATOM 950 N MET A 62 4.127 3.986 5.284 1.00 0.00 N ATOM 951 CA MET A 62 2.762 3.527 5.663 1.00 0.00 C ATOM 952 C MET A 62 2.344 2.377 4.743 1.00 0.00 C ATOM 953 O MET A 62 1.476 1.593 5.069 1.00 0.00 O ATOM 954 CB MET A 62 1.777 4.688 5.514 1.00 0.00 C ATOM 955 CG MET A 62 2.304 5.907 6.273 1.00 0.00 C ATOM 956 SD MET A 62 1.069 7.230 6.225 1.00 0.00 S ATOM 957 CE MET A 62 2.071 8.446 5.332 1.00 0.00 C ATOM 0 H MET A 62 4.196 4.970 5.024 1.00 0.00 H new ATOM 0 HA MET A 62 2.762 3.184 6.698 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.644 4.933 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.799 4.401 5.901 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.524 5.638 7.306 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.238 6.250 5.827 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.694 9.448 5.536 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.108 8.375 5.660 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.015 8.248 4.262 1.00 0.00 H new ATOM 967 N ILE A 63 2.957 2.272 3.596 1.00 0.00 N ATOM 968 CA ILE A 63 2.596 1.174 2.653 1.00 0.00 C ATOM 969 C ILE A 63 3.294 -0.121 3.071 1.00 0.00 C ATOM 970 O ILE A 63 2.767 -1.199 2.901 1.00 0.00 O ATOM 971 CB ILE A 63 3.039 1.557 1.241 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.614 2.998 0.951 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.389 0.615 0.225 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.102 3.055 0.721 1.00 0.00 C ATOM 0 H ILE A 63 3.693 2.899 3.270 1.00 0.00 H new ATOM 0 HA ILE A 63 1.517 1.021 2.673 1.00 0.00 H new ATOM 0 HB ILE A 63 4.123 1.474 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.889 3.643 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.139 3.372 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.706 0.890 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.693 -0.411 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.304 0.694 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.804 4.083 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.839 2.424 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.585 2.699 1.612 1.00 0.00 H new ATOM 986 N GLU A 64 4.476 -0.030 3.615 1.00 0.00 N ATOM 987 CA GLU A 64 5.195 -1.266 4.034 1.00 0.00 C ATOM 988 C GLU A 64 4.696 -1.708 5.411 1.00 0.00 C ATOM 989 O GLU A 64 4.793 -2.862 5.775 1.00 0.00 O ATOM 990 CB GLU A 64 6.698 -0.988 4.097 1.00 0.00 C ATOM 991 CG GLU A 64 6.985 0.037 5.197 1.00 0.00 C ATOM 992 CD GLU A 64 8.187 -0.424 6.023 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.987 -1.202 6.940 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.287 0.011 5.724 1.00 0.00 O ATOM 0 H GLU A 64 4.974 0.843 3.787 1.00 0.00 H new ATOM 0 HA GLU A 64 5.004 -2.058 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.241 -1.912 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.049 -0.613 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.186 1.013 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.112 0.152 5.839 1.00 0.00 H new ATOM 1001 N GLY A 65 4.156 -0.800 6.176 1.00 0.00 N ATOM 1002 CA GLY A 65 3.643 -1.172 7.523 1.00 0.00 C ATOM 1003 C GLY A 65 2.166 -1.541 7.403 1.00 0.00 C ATOM 1004 O GLY A 65 1.655 -2.358 8.143 1.00 0.00 O ATOM 0 H GLY A 65 4.048 0.183 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.210 -2.012 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.769 -0.341 8.217 1.00 0.00 H new ATOM 1008 N THR A 66 1.478 -0.946 6.468 1.00 0.00 N ATOM 1009 CA THR A 66 0.036 -1.261 6.286 1.00 0.00 C ATOM 1010 C THR A 66 -0.103 -2.418 5.295 1.00 0.00 C ATOM 1011 O THR A 66 -1.095 -3.119 5.278 1.00 0.00 O ATOM 1012 CB THR A 66 -0.689 -0.030 5.736 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.387 1.098 6.547 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.199 -0.277 5.745 1.00 0.00 C ATOM 0 H THR A 66 1.855 -0.253 5.821 1.00 0.00 H new ATOM 0 HA THR A 66 -0.403 -1.542 7.244 1.00 0.00 H new ATOM 0 HB THR A 66 -0.360 0.158 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.556 1.340 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.714 0.600 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.430 -1.141 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.531 -0.466 6.766 1.00 0.00 H new ATOM 1022 N ALA A 67 0.886 -2.624 4.466 1.00 0.00 N ATOM 1023 CA ALA A 67 0.809 -3.735 3.477 1.00 0.00 C ATOM 1024 C ALA A 67 1.402 -5.007 4.090 1.00 0.00 C ATOM 1025 O ALA A 67 0.913 -6.097 3.873 1.00 0.00 O ATOM 1026 CB ALA A 67 1.598 -3.357 2.220 1.00 0.00 C ATOM 0 H ALA A 67 1.742 -2.071 4.432 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.233 -3.912 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.541 -4.170 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.175 -2.453 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.640 -3.179 2.485 1.00 0.00 H new ATOM 1032 N ARG A 68 2.453 -4.878 4.855 1.00 0.00 N ATOM 1033 CA ARG A 68 3.073 -6.081 5.478 1.00 0.00 C ATOM 1034 C ARG A 68 2.287 -6.473 6.732 1.00 0.00 C ATOM 1035 O ARG A 68 2.389 -7.581 7.219 1.00 0.00 O ATOM 1036 CB ARG A 68 4.522 -5.770 5.861 1.00 0.00 C ATOM 1037 CG ARG A 68 5.392 -7.002 5.607 1.00 0.00 C ATOM 1038 CD ARG A 68 5.453 -7.854 6.876 1.00 0.00 C ATOM 1039 NE ARG A 68 4.782 -9.161 6.629 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.465 -9.932 7.633 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.331 -10.150 8.585 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.284 -10.484 7.685 1.00 0.00 N ATOM 0 H ARG A 68 2.908 -3.992 5.075 1.00 0.00 H new ATOM 0 HA ARG A 68 3.054 -6.906 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.890 -4.925 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.578 -5.482 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.982 -7.586 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.396 -6.697 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.490 -8.015 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.966 -7.333 7.700 1.00 0.00 H new ATOM 0 HE ARG A 68 4.570 -9.453 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.254 -9.718 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.085 -10.752 9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.608 -10.313 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.037 -11.087 8.470 1.00 0.00 H new ATOM 1056 N SER A 69 1.504 -5.571 7.260 1.00 0.00 N ATOM 1057 CA SER A 69 0.717 -5.893 8.483 1.00 0.00 C ATOM 1058 C SER A 69 -0.612 -6.539 8.084 1.00 0.00 C ATOM 1059 O SER A 69 -1.531 -6.628 8.875 1.00 0.00 O ATOM 1060 CB SER A 69 0.441 -4.607 9.264 1.00 0.00 C ATOM 1061 OG SER A 69 1.652 -4.143 9.846 1.00 0.00 O ATOM 0 H SER A 69 1.376 -4.626 6.897 1.00 0.00 H new ATOM 0 HA SER A 69 1.284 -6.585 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.028 -3.847 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.302 -4.791 10.040 1.00 0.00 H new ATOM 0 HG SER A 69 1.935 -3.318 9.399 1.00 0.00 H new ATOM 1067 N MET A 70 -0.724 -6.992 6.866 1.00 0.00 N ATOM 1068 CA MET A 70 -1.996 -7.631 6.425 1.00 0.00 C ATOM 1069 C MET A 70 -1.696 -8.968 5.740 1.00 0.00 C ATOM 1070 O MET A 70 -2.593 -9.681 5.337 1.00 0.00 O ATOM 1071 CB MET A 70 -2.718 -6.705 5.443 1.00 0.00 C ATOM 1072 CG MET A 70 -3.075 -5.394 6.147 1.00 0.00 C ATOM 1073 SD MET A 70 -4.475 -4.618 5.301 1.00 0.00 S ATOM 1074 CE MET A 70 -3.526 -3.786 4.003 1.00 0.00 C ATOM 0 H MET A 70 0.009 -6.948 6.158 1.00 0.00 H new ATOM 0 HA MET A 70 -2.629 -7.808 7.294 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.082 -6.506 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.621 -7.187 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.327 -5.586 7.190 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.217 -4.722 6.145 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.095 -3.795 3.074 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.331 -2.755 4.299 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.580 -4.306 3.854 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.445 -9.315 5.607 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.098 -10.607 4.951 1.00 0.00 C ATOM 1086 C GLY A 71 0.464 -10.340 3.552 1.00 0.00 C ATOM 1087 O GLY A 71 0.528 -11.224 2.720 1.00 0.00 O ATOM 0 H GLY A 71 0.350 -8.761 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.635 -11.146 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.982 -11.241 4.884 1.00 0.00 H new ATOM 1091 N ILE A 72 0.874 -9.130 3.286 1.00 0.00 N ATOM 1092 CA ILE A 72 1.435 -8.811 1.942 1.00 0.00 C ATOM 1093 C ILE A 72 2.880 -8.338 2.097 1.00 0.00 C ATOM 1094 O ILE A 72 3.150 -7.331 2.721 1.00 0.00 O ATOM 1095 CB ILE A 72 0.602 -7.706 1.291 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.829 -8.208 1.077 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.218 -7.328 -0.057 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.819 -7.152 1.569 1.00 0.00 C ATOM 0 H ILE A 72 0.845 -8.349 3.941 1.00 0.00 H new ATOM 0 HA ILE A 72 1.408 -9.701 1.314 1.00 0.00 H new ATOM 0 HB ILE A 72 0.588 -6.830 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.998 -8.416 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.982 -9.144 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.624 -6.540 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.237 -6.972 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.233 -8.202 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.838 -7.509 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.655 -6.966 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.672 -6.227 1.011 1.00 0.00 H new ATOM 1110 N VAL A 73 3.815 -9.057 1.538 1.00 0.00 N ATOM 1111 CA VAL A 73 5.241 -8.644 1.659 1.00 0.00 C ATOM 1112 C VAL A 73 5.563 -7.610 0.574 1.00 0.00 C ATOM 1113 O VAL A 73 4.746 -7.314 -0.275 1.00 0.00 O ATOM 1114 CB VAL A 73 6.145 -9.885 1.522 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.655 -10.041 0.083 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.340 -9.749 2.470 1.00 0.00 C ATOM 0 H VAL A 73 3.653 -9.911 1.004 1.00 0.00 H new ATOM 0 HA VAL A 73 5.420 -8.191 2.634 1.00 0.00 H new ATOM 0 HB VAL A 73 5.559 -10.768 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.290 -10.924 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.807 -10.151 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.230 -9.158 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.981 -10.625 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.908 -8.855 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.983 -9.670 3.497 1.00 0.00 H new ATOM 1126 N VAL A 74 6.745 -7.063 0.594 1.00 0.00 N ATOM 1127 CA VAL A 74 7.117 -6.056 -0.436 1.00 0.00 C ATOM 1128 C VAL A 74 8.590 -6.260 -0.818 1.00 0.00 C ATOM 1129 O VAL A 74 9.444 -6.408 0.034 1.00 0.00 O ATOM 1130 CB VAL A 74 6.872 -4.641 0.133 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.182 -4.004 0.614 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.247 -3.760 -0.950 1.00 0.00 C ATOM 0 H VAL A 74 7.471 -7.270 1.280 1.00 0.00 H new ATOM 0 HA VAL A 74 6.509 -6.173 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 74 6.197 -4.725 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.979 -3.009 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.622 -4.623 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.878 -3.927 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.073 -2.761 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.923 -3.697 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.299 -4.193 -1.269 1.00 0.00 H new ATOM 1142 N GLU A 75 8.894 -6.281 -2.087 1.00 0.00 N ATOM 1143 CA GLU A 75 10.310 -6.487 -2.509 1.00 0.00 C ATOM 1144 C GLU A 75 11.085 -5.175 -2.377 1.00 0.00 C ATOM 1145 O GLU A 75 10.520 -4.133 -2.116 1.00 0.00 O ATOM 1146 CB GLU A 75 10.348 -6.953 -3.965 1.00 0.00 C ATOM 1147 CG GLU A 75 9.641 -8.303 -4.089 1.00 0.00 C ATOM 1148 CD GLU A 75 10.679 -9.427 -4.047 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.842 -9.125 -3.832 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.294 -10.569 -4.232 1.00 0.00 O ATOM 0 H GLU A 75 8.226 -6.165 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 75 10.767 -7.243 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.863 -6.217 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.381 -7.039 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.923 -8.426 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.079 -8.347 -5.022 1.00 0.00 H new ATOM 1157 N ASP A 76 12.376 -5.219 -2.556 1.00 0.00 N ATOM 1158 CA ASP A 76 13.186 -3.974 -2.441 1.00 0.00 C ATOM 1159 C ASP A 76 14.392 -4.062 -3.378 1.00 0.00 C ATOM 1160 O ASP A 76 15.287 -4.841 -3.090 1.00 0.00 O ATOM 1161 CB ASP A 76 13.671 -3.811 -0.998 1.00 0.00 C ATOM 1162 CG ASP A 76 14.417 -5.074 -0.563 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.146 -6.122 -1.125 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.247 -4.972 0.326 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.402 -3.348 -4.367 1.00 0.00 O ATOM 0 H ASP A 76 12.905 -6.063 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 76 12.573 -3.116 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.327 -2.944 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.823 -3.631 -0.337 1.00 0.00 H new TER 1170 ASP A 76