USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot -170:sc= 0.0899 USER MOD Set 1.2: A 18 ASN :FLIP amide:sc= 0.976 F(o=-2.7,f=1.1) USER MOD Single : A 11 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00669 K(o=-0.0067,f=-2.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -22:sc= 0.891 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.344 K(o=0.34,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 77:sc= 0.542 USER MOD Single : A 59 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.0127 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -10.765 -12.288 -4.800 1.00 0.00 N ATOM 2 CA GLN A 11 -9.776 -12.976 -3.928 1.00 0.00 C ATOM 3 C GLN A 11 -9.815 -12.423 -2.507 1.00 0.00 C ATOM 4 O GLN A 11 -10.232 -11.285 -2.285 1.00 0.00 O ATOM 5 CB GLN A 11 -8.383 -12.788 -4.530 1.00 0.00 C ATOM 6 CG GLN A 11 -7.295 -13.550 -3.793 1.00 0.00 C ATOM 7 CD GLN A 11 -6.129 -13.917 -4.691 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.259 -13.950 -5.914 1.00 0.00 O ATOM 9 NE2 GLN A 11 -4.980 -14.196 -4.085 1.00 0.00 N ATOM 0 HA GLN A 11 -10.023 -14.036 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.400 -13.111 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.136 -11.726 -4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.932 -12.945 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.719 -14.458 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.917 -14.156 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.161 -14.450 -4.637 1.00 0.00 H new ATOM 18 N ALA A 12 -9.377 -13.233 -1.550 1.00 0.00 N ATOM 19 CA ALA A 12 -9.361 -12.824 -0.151 1.00 0.00 C ATOM 20 C ALA A 12 -8.033 -12.171 0.215 1.00 0.00 C ATOM 21 O ALA A 12 -6.974 -12.791 0.103 1.00 0.00 O ATOM 22 CB ALA A 12 -9.630 -14.019 0.750 1.00 0.00 C ATOM 0 H ALA A 12 -9.028 -14.177 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.150 -12.087 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.615 -13.700 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.607 -14.440 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.861 -14.775 0.591 1.00 0.00 H new ATOM 28 N CYS A 13 -8.094 -10.917 0.654 1.00 0.00 N ATOM 29 CA CYS A 13 -6.893 -10.184 1.036 1.00 0.00 C ATOM 30 C CYS A 13 -6.912 -9.848 2.524 1.00 0.00 C ATOM 31 O CYS A 13 -7.942 -9.973 3.186 1.00 0.00 O ATOM 32 CB CYS A 13 -6.765 -8.901 0.211 1.00 0.00 C ATOM 33 SG CYS A 13 -8.053 -7.658 0.552 1.00 0.00 S ATOM 0 H CYS A 13 -8.961 -10.389 0.754 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.031 -10.820 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.788 -8.456 0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.797 -9.159 -0.848 1.00 0.00 H new ATOM 38 N THR A 14 -5.766 -9.423 3.044 1.00 0.00 N ATOM 39 CA THR A 14 -5.650 -9.068 4.452 1.00 0.00 C ATOM 40 C THR A 14 -5.634 -7.554 4.635 1.00 0.00 C ATOM 41 O THR A 14 -4.717 -6.874 4.176 1.00 0.00 O ATOM 42 CB THR A 14 -4.381 -9.680 5.049 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.241 -9.318 6.411 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.118 -9.260 4.328 1.00 0.00 C ATOM 0 H THR A 14 -4.903 -9.316 2.510 1.00 0.00 H new ATOM 0 HA THR A 14 -6.520 -9.467 4.974 1.00 0.00 H new ATOM 0 HB THR A 14 -4.501 -10.758 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.350 -9.576 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.256 -9.729 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.174 -9.572 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.014 -8.176 4.377 1.00 0.00 H new ATOM 52 N LEU A 15 -6.654 -7.034 5.310 1.00 0.00 N ATOM 53 CA LEU A 15 -6.757 -5.601 5.555 1.00 0.00 C ATOM 54 C LEU A 15 -5.550 -5.095 6.342 1.00 0.00 C ATOM 55 O LEU A 15 -4.828 -5.880 6.955 1.00 0.00 O ATOM 56 CB LEU A 15 -8.044 -5.287 6.318 1.00 0.00 C ATOM 57 CG LEU A 15 -8.363 -6.241 7.472 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.855 -5.468 8.686 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.396 -7.274 7.042 1.00 0.00 C ATOM 0 H LEU A 15 -7.421 -7.584 5.697 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.779 -5.092 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.976 -4.273 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.877 -5.300 5.615 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.447 -6.764 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.076 -6.164 9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.084 -4.769 9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.758 -4.916 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.610 -7.943 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.312 -6.768 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.006 -7.851 6.204 1.00 0.00 H new ATOM 71 N PRO A 16 -5.314 -3.771 6.335 1.00 0.00 N ATOM 72 CA PRO A 16 -4.187 -3.167 7.054 1.00 0.00 C ATOM 73 C PRO A 16 -4.119 -3.623 8.509 1.00 0.00 C ATOM 74 O PRO A 16 -3.044 -3.666 9.106 1.00 0.00 O ATOM 75 CB PRO A 16 -4.478 -1.668 6.976 1.00 0.00 C ATOM 76 CG PRO A 16 -5.300 -1.508 5.744 1.00 0.00 C ATOM 77 CD PRO A 16 -6.126 -2.760 5.630 1.00 0.00 C ATOM 0 HA PRO A 16 -3.227 -3.450 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.016 -1.322 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.557 -1.088 6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.936 -0.626 5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.666 -1.377 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.106 -2.638 6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.296 -3.036 4.589 1.00 0.00 H new ATOM 85 N ASN A 17 -5.274 -3.966 9.069 1.00 0.00 N ATOM 86 CA ASN A 17 -5.348 -4.423 10.453 1.00 0.00 C ATOM 87 C ASN A 17 -5.011 -5.908 10.559 1.00 0.00 C ATOM 88 O ASN A 17 -4.718 -6.411 11.644 1.00 0.00 O ATOM 89 CB ASN A 17 -6.743 -4.162 11.023 1.00 0.00 C ATOM 90 CG ASN A 17 -6.715 -3.879 12.512 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.771 -4.252 13.210 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.753 -3.215 13.009 1.00 0.00 N ATOM 0 H ASN A 17 -6.172 -3.936 8.586 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.614 -3.863 11.033 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.192 -3.316 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.378 -5.027 10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.789 -2.996 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.514 -2.925 12.395 1.00 0.00 H new ATOM 99 N ASN A 18 -5.056 -6.609 9.427 1.00 0.00 N ATOM 100 CA ASN A 18 -4.756 -8.038 9.395 1.00 0.00 C ATOM 101 C ASN A 18 -5.853 -8.843 10.083 1.00 0.00 C ATOM 102 O ASN A 18 -5.735 -9.195 11.257 1.00 0.00 O ATOM 103 CB ASN A 18 -3.406 -8.319 10.060 1.00 0.00 C ATOM 104 CG ASN A 18 -2.779 -9.612 9.573 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.453 -9.664 8.288 1.00 0.00 O flip ATOM 106 ND2 ASN A 18 -2.591 -10.553 10.344 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.298 -6.210 8.520 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.706 -8.345 8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.726 -7.491 9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.540 -8.368 11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.857 -10.469 11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.169 -11.416 10.002 1.00 0.00 H new ATOM 113 N ASP A 19 -6.918 -9.131 9.344 1.00 0.00 N ATOM 114 CA ASP A 19 -8.038 -9.896 9.879 1.00 0.00 C ATOM 115 C ASP A 19 -8.797 -10.609 8.764 1.00 0.00 C ATOM 116 O ASP A 19 -9.986 -10.901 8.899 1.00 0.00 O ATOM 117 CB ASP A 19 -8.986 -8.977 10.651 1.00 0.00 C ATOM 118 CG ASP A 19 -9.609 -9.664 11.852 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.953 -9.709 12.914 1.00 0.00 O ATOM 120 OD2 ASP A 19 -10.750 -10.155 11.730 1.00 0.00 O ATOM 0 H ASP A 19 -7.030 -8.846 8.371 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.638 -10.649 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.440 -8.094 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.776 -8.631 9.984 1.00 0.00 H new ATOM 125 N LYS A 20 -8.104 -10.888 7.662 1.00 0.00 N ATOM 126 CA LYS A 20 -8.711 -11.566 6.522 1.00 0.00 C ATOM 127 C LYS A 20 -9.846 -10.733 5.934 1.00 0.00 C ATOM 128 O LYS A 20 -10.587 -10.069 6.660 1.00 0.00 O ATOM 129 CB LYS A 20 -9.236 -12.941 6.939 1.00 0.00 C ATOM 130 CG LYS A 20 -8.144 -13.894 7.399 1.00 0.00 C ATOM 131 CD LYS A 20 -8.583 -14.712 8.605 1.00 0.00 C ATOM 132 CE LYS A 20 -7.827 -14.309 9.860 1.00 0.00 C ATOM 133 NZ LYS A 20 -6.547 -15.057 9.999 1.00 0.00 N ATOM 0 H LYS A 20 -7.119 -10.654 7.536 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.944 -11.694 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.960 -12.816 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.767 -13.388 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.878 -14.564 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.248 -13.327 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.653 -14.579 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.420 -15.771 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.621 -13.239 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.451 -14.491 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.060 -14.754 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.745 -16.077 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.941 -14.863 9.177 1.00 0.00 H new ATOM 147 N GLY A 21 -9.976 -10.770 4.611 1.00 0.00 N ATOM 148 CA GLY A 21 -11.022 -10.015 3.948 1.00 0.00 C ATOM 149 C GLY A 21 -11.159 -10.372 2.480 1.00 0.00 C ATOM 150 O GLY A 21 -10.780 -11.466 2.062 1.00 0.00 O ATOM 0 H GLY A 21 -9.376 -11.309 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.971 -10.197 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.810 -8.950 4.041 1.00 0.00 H new ATOM 154 N THR A 22 -11.702 -9.445 1.700 1.00 0.00 N ATOM 155 CA THR A 22 -11.893 -9.659 0.269 1.00 0.00 C ATOM 156 C THR A 22 -11.323 -8.494 -0.530 1.00 0.00 C ATOM 157 O THR A 22 -11.352 -7.351 -0.080 1.00 0.00 O ATOM 158 CB THR A 22 -13.380 -9.833 -0.048 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.008 -10.648 0.925 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.634 -10.457 -1.403 1.00 0.00 C ATOM 0 H THR A 22 -12.019 -8.535 2.035 1.00 0.00 H new ATOM 0 HA THR A 22 -11.362 -10.567 -0.014 1.00 0.00 H new ATOM 0 HB THR A 22 -13.795 -8.825 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.958 -10.746 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.708 -10.552 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.205 -9.825 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.173 -11.444 -1.441 1.00 0.00 H new ATOM 168 N CYS A 23 -10.799 -8.789 -1.716 1.00 0.00 N ATOM 169 CA CYS A 23 -10.220 -7.755 -2.568 1.00 0.00 C ATOM 170 C CYS A 23 -10.965 -7.657 -3.895 1.00 0.00 C ATOM 171 O CYS A 23 -11.056 -8.630 -4.644 1.00 0.00 O ATOM 172 CB CYS A 23 -8.741 -8.049 -2.825 1.00 0.00 C ATOM 173 SG CYS A 23 -7.736 -6.567 -3.160 1.00 0.00 S ATOM 0 H CYS A 23 -10.763 -9.730 -2.108 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.313 -6.801 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.329 -8.566 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.659 -8.730 -3.672 1.00 0.00 H new ATOM 178 N LYS A 24 -11.493 -6.470 -4.178 1.00 0.00 N ATOM 179 CA LYS A 24 -12.229 -6.232 -5.414 1.00 0.00 C ATOM 180 C LYS A 24 -11.992 -4.811 -5.916 1.00 0.00 C ATOM 181 O LYS A 24 -11.434 -3.976 -5.205 1.00 0.00 O ATOM 182 CB LYS A 24 -13.724 -6.466 -5.195 1.00 0.00 C ATOM 183 CG LYS A 24 -14.272 -5.784 -3.953 1.00 0.00 C ATOM 184 CD LYS A 24 -15.789 -5.888 -3.879 1.00 0.00 C ATOM 185 CE LYS A 24 -16.247 -6.439 -2.536 1.00 0.00 C ATOM 186 NZ LYS A 24 -16.576 -7.888 -2.613 1.00 0.00 N ATOM 0 H LYS A 24 -11.424 -5.657 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.867 -6.932 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.271 -6.107 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.908 -7.538 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.832 -6.237 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.978 -4.734 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.230 -4.904 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.150 -6.533 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.464 -6.284 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.122 -5.886 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.883 -8.224 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.341 -8.034 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.734 -8.420 -2.912 1.00 0.00 H new ATOM 200 N SER A 25 -12.422 -4.541 -7.144 1.00 0.00 N ATOM 201 CA SER A 25 -12.258 -3.219 -7.736 1.00 0.00 C ATOM 202 C SER A 25 -12.992 -2.163 -6.915 1.00 0.00 C ATOM 203 O SER A 25 -13.605 -2.473 -5.894 1.00 0.00 O ATOM 204 CB SER A 25 -12.773 -3.213 -9.175 1.00 0.00 C ATOM 205 OG SER A 25 -12.046 -4.124 -9.983 1.00 0.00 O ATOM 0 H SER A 25 -12.886 -5.219 -7.748 1.00 0.00 H new ATOM 0 HA SER A 25 -11.195 -2.978 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.831 -3.476 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.690 -2.208 -9.590 1.00 0.00 H new ATOM 0 HG SER A 25 -12.397 -4.102 -10.898 1.00 0.00 H new ATOM 211 N LEU A 26 -12.928 -0.915 -7.369 1.00 0.00 N ATOM 212 CA LEU A 26 -13.590 0.184 -6.675 1.00 0.00 C ATOM 213 C LEU A 26 -14.940 0.497 -7.311 1.00 0.00 C ATOM 214 O LEU A 26 -15.406 1.636 -7.275 1.00 0.00 O ATOM 215 CB LEU A 26 -12.705 1.433 -6.690 1.00 0.00 C ATOM 216 CG LEU A 26 -12.318 1.937 -8.084 1.00 0.00 C ATOM 217 CD1 LEU A 26 -13.127 3.174 -8.452 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.828 2.237 -8.149 1.00 0.00 C ATOM 0 H LEU A 26 -12.425 -0.640 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.758 -0.122 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.223 2.233 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.794 1.221 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.544 1.152 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.837 3.516 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.189 2.929 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.935 3.964 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.572 2.594 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.579 3.003 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.264 1.330 -7.932 1.00 0.00 H new ATOM 230 N LEU A 27 -15.567 -0.521 -7.892 1.00 0.00 N ATOM 231 CA LEU A 27 -16.864 -0.354 -8.534 1.00 0.00 C ATOM 232 C LEU A 27 -17.834 -1.446 -8.093 1.00 0.00 C ATOM 233 O LEU A 27 -18.705 -1.861 -8.856 1.00 0.00 O ATOM 234 CB LEU A 27 -16.711 -0.380 -10.057 1.00 0.00 C ATOM 235 CG LEU A 27 -15.526 0.420 -10.602 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.905 -0.291 -11.796 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.963 1.826 -10.986 1.00 0.00 C ATOM 0 H LEU A 27 -15.197 -1.471 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.268 0.612 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.609 -1.416 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.627 0.005 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.773 0.496 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.064 0.293 -12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.555 -1.277 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.651 -0.399 -12.584 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.107 2.380 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.735 1.770 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.360 2.336 -10.108 1.00 0.00 H new ATOM 249 N GLN A 28 -17.675 -1.908 -6.857 1.00 0.00 N ATOM 250 CA GLN A 28 -18.537 -2.951 -6.316 1.00 0.00 C ATOM 251 C GLN A 28 -18.857 -2.695 -4.847 1.00 0.00 C ATOM 252 O GLN A 28 -20.007 -2.814 -4.423 1.00 0.00 O ATOM 253 CB GLN A 28 -17.871 -4.321 -6.471 1.00 0.00 C ATOM 254 CG GLN A 28 -18.117 -4.966 -7.826 1.00 0.00 C ATOM 255 CD GLN A 28 -17.575 -6.380 -7.904 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.327 -7.019 -6.883 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.390 -6.875 -9.122 1.00 0.00 N ATOM 0 H GLN A 28 -16.958 -1.576 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.471 -2.938 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.797 -4.213 -6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.239 -4.985 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -19.188 -4.979 -8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.653 -4.359 -8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.610 -6.309 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.028 -7.822 -9.238 1.00 0.00 H new ATOM 266 N CYS A 29 -17.835 -2.344 -4.072 1.00 0.00 N ATOM 267 CA CYS A 29 -18.015 -2.073 -2.651 1.00 0.00 C ATOM 268 C CYS A 29 -18.740 -0.750 -2.433 1.00 0.00 C ATOM 269 O CYS A 29 -18.120 0.313 -2.416 1.00 0.00 O ATOM 270 CB CYS A 29 -16.660 -2.048 -1.937 1.00 0.00 C ATOM 271 SG CYS A 29 -16.587 -3.097 -0.449 1.00 0.00 S ATOM 0 H CYS A 29 -16.876 -2.241 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.625 -2.873 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.887 -2.371 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.428 -1.021 -1.657 1.00 0.00 H new ATOM 276 N ASP A 30 -20.055 -0.824 -2.254 1.00 0.00 N ATOM 277 CA ASP A 30 -20.859 0.372 -2.024 1.00 0.00 C ATOM 278 C ASP A 30 -20.331 1.146 -0.822 1.00 0.00 C ATOM 279 O ASP A 30 -20.431 2.372 -0.764 1.00 0.00 O ATOM 280 CB ASP A 30 -22.325 -0.008 -1.802 1.00 0.00 C ATOM 281 CG ASP A 30 -23.166 0.180 -3.050 1.00 0.00 C ATOM 282 OD1 ASP A 30 -23.500 1.339 -3.371 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.490 -0.832 -3.705 1.00 0.00 O ATOM 0 H ASP A 30 -20.585 -1.695 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.790 1.008 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.383 -1.048 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.737 0.598 -0.995 1.00 0.00 H new ATOM 288 N VAL A 31 -19.760 0.418 0.133 1.00 0.00 N ATOM 289 CA VAL A 31 -19.209 1.028 1.333 1.00 0.00 C ATOM 290 C VAL A 31 -18.006 1.901 1.002 1.00 0.00 C ATOM 291 O VAL A 31 -17.823 2.970 1.582 1.00 0.00 O ATOM 292 CB VAL A 31 -18.789 -0.037 2.364 1.00 0.00 C ATOM 293 CG1 VAL A 31 -20.002 -0.810 2.860 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.756 -0.981 1.767 1.00 0.00 C ATOM 0 H VAL A 31 -19.668 -0.597 0.096 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.997 1.647 1.763 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.336 0.470 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.685 -1.557 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.705 -0.122 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.487 -1.305 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.472 -1.726 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.180 -1.481 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.875 -0.414 1.467 1.00 0.00 H new ATOM 304 N ALA A 32 -17.184 1.439 0.067 1.00 0.00 N ATOM 305 CA ALA A 32 -15.996 2.181 -0.338 1.00 0.00 C ATOM 306 C ALA A 32 -16.369 3.514 -0.979 1.00 0.00 C ATOM 307 O ALA A 32 -15.701 4.524 -0.765 1.00 0.00 O ATOM 308 CB ALA A 32 -15.156 1.350 -1.294 1.00 0.00 C ATOM 0 H ALA A 32 -17.318 0.555 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.409 2.392 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.272 1.916 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.849 0.428 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.744 1.109 -2.180 1.00 0.00 H new ATOM 314 N SER A 33 -17.435 3.505 -1.769 1.00 0.00 N ATOM 315 CA SER A 33 -17.896 4.709 -2.450 1.00 0.00 C ATOM 316 C SER A 33 -18.389 5.755 -1.457 1.00 0.00 C ATOM 317 O SER A 33 -18.162 6.951 -1.638 1.00 0.00 O ATOM 318 CB SER A 33 -19.010 4.364 -3.441 1.00 0.00 C ATOM 319 OG SER A 33 -18.496 4.224 -4.756 1.00 0.00 O ATOM 0 H SER A 33 -17.998 2.675 -1.955 1.00 0.00 H new ATOM 0 HA SER A 33 -17.049 5.129 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.498 3.438 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.770 5.145 -3.425 1.00 0.00 H new ATOM 0 HG SER A 33 -19.226 4.002 -5.371 1.00 0.00 H new ATOM 325 N LYS A 34 -19.067 5.303 -0.409 1.00 0.00 N ATOM 326 CA LYS A 34 -19.590 6.214 0.603 1.00 0.00 C ATOM 327 C LYS A 34 -18.455 6.879 1.377 1.00 0.00 C ATOM 328 O LYS A 34 -18.572 8.028 1.799 1.00 0.00 O ATOM 329 CB LYS A 34 -20.539 5.480 1.561 1.00 0.00 C ATOM 330 CG LYS A 34 -19.842 4.546 2.541 1.00 0.00 C ATOM 331 CD LYS A 34 -20.322 4.775 3.966 1.00 0.00 C ATOM 332 CE LYS A 34 -19.536 3.934 4.960 1.00 0.00 C ATOM 333 NZ LYS A 34 -19.550 4.527 6.326 1.00 0.00 N ATOM 0 H LYS A 34 -19.267 4.318 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.156 6.993 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -21.110 6.218 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.254 4.904 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -20.029 3.511 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.764 4.701 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.221 5.830 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -21.382 4.530 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.956 2.929 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.506 3.836 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.003 3.923 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.126 5.476 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.531 4.597 6.664 1.00 0.00 H new ATOM 347 N ILE A 35 -17.354 6.153 1.556 1.00 0.00 N ATOM 348 CA ILE A 35 -16.202 6.681 2.277 1.00 0.00 C ATOM 349 C ILE A 35 -15.542 7.811 1.495 1.00 0.00 C ATOM 350 O ILE A 35 -15.146 8.828 2.066 1.00 0.00 O ATOM 351 CB ILE A 35 -15.156 5.580 2.554 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.806 4.401 3.280 1.00 0.00 C ATOM 353 CG2 ILE A 35 -14.000 6.138 3.371 1.00 0.00 C ATOM 354 CD1 ILE A 35 -15.180 3.065 2.941 1.00 0.00 C ATOM 0 H ILE A 35 -17.237 5.200 1.212 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.570 7.065 3.228 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.763 5.226 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.736 4.564 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.867 4.370 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.272 5.349 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.523 6.949 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.376 6.517 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.690 2.274 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.273 2.881 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.126 3.077 3.217 1.00 0.00 H new ATOM 366 N ILE A 36 -15.433 7.626 0.187 1.00 0.00 N ATOM 367 CA ILE A 36 -14.824 8.629 -0.679 1.00 0.00 C ATOM 368 C ILE A 36 -15.659 9.906 -0.702 1.00 0.00 C ATOM 369 O ILE A 36 -15.125 11.006 -0.848 1.00 0.00 O ATOM 370 CB ILE A 36 -14.664 8.103 -2.120 1.00 0.00 C ATOM 371 CG1 ILE A 36 -13.891 6.782 -2.120 1.00 0.00 C ATOM 372 CG2 ILE A 36 -13.967 9.137 -2.994 1.00 0.00 C ATOM 373 CD1 ILE A 36 -12.418 6.936 -1.801 1.00 0.00 C ATOM 0 H ILE A 36 -15.758 6.790 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.837 8.849 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.655 7.922 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.342 6.108 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.994 6.311 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.864 8.747 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.558 10.052 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.980 9.353 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.937 5.958 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.951 7.584 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.304 7.377 -0.811 1.00 0.00 H new ATOM 385 N SER A 37 -16.970 9.751 -0.559 1.00 0.00 N ATOM 386 CA SER A 37 -17.879 10.892 -0.568 1.00 0.00 C ATOM 387 C SER A 37 -18.279 11.308 0.848 1.00 0.00 C ATOM 388 O SER A 37 -19.047 12.253 1.029 1.00 0.00 O ATOM 389 CB SER A 37 -19.131 10.565 -1.384 1.00 0.00 C ATOM 390 OG SER A 37 -20.077 11.618 -1.313 1.00 0.00 O ATOM 0 H SER A 37 -17.427 8.848 -0.436 1.00 0.00 H new ATOM 0 HA SER A 37 -17.352 11.727 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.855 10.389 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.580 9.643 -1.013 1.00 0.00 H new ATOM 0 HG SER A 37 -19.907 12.157 -0.512 1.00 0.00 H new ATOM 396 N LYS A 38 -17.763 10.600 1.852 1.00 0.00 N ATOM 397 CA LYS A 38 -18.082 10.910 3.243 1.00 0.00 C ATOM 398 C LYS A 38 -16.967 11.717 3.898 1.00 0.00 C ATOM 399 O LYS A 38 -17.226 12.686 4.613 1.00 0.00 O ATOM 400 CB LYS A 38 -18.325 9.625 4.035 1.00 0.00 C ATOM 401 CG LYS A 38 -19.764 9.139 3.980 1.00 0.00 C ATOM 402 CD LYS A 38 -20.556 9.606 5.192 1.00 0.00 C ATOM 403 CE LYS A 38 -21.022 11.043 5.031 1.00 0.00 C ATOM 404 NZ LYS A 38 -22.397 11.245 5.569 1.00 0.00 N ATOM 0 H LYS A 38 -17.126 9.813 1.729 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.991 11.511 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.671 8.842 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.046 9.791 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.239 9.506 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.780 8.050 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.419 8.956 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.939 9.520 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.329 11.709 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.001 11.315 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.678 12.238 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.063 10.628 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.411 11.010 6.582 1.00 0.00 H new ATOM 418 N LYS A 39 -15.729 11.308 3.655 1.00 0.00 N ATOM 419 CA LYS A 39 -14.573 11.990 4.228 1.00 0.00 C ATOM 420 C LYS A 39 -13.406 12.007 3.244 1.00 0.00 C ATOM 421 O LYS A 39 -12.526 11.149 3.295 1.00 0.00 O ATOM 422 CB LYS A 39 -14.148 11.309 5.529 1.00 0.00 C ATOM 423 CG LYS A 39 -15.032 11.659 6.716 1.00 0.00 C ATOM 424 CD LYS A 39 -15.342 10.435 7.568 1.00 0.00 C ATOM 425 CE LYS A 39 -14.753 10.562 8.964 1.00 0.00 C ATOM 426 NZ LYS A 39 -14.245 9.259 9.474 1.00 0.00 N ATOM 0 H LYS A 39 -15.498 10.508 3.066 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.859 13.020 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.159 10.229 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.120 11.590 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.537 12.413 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.963 12.099 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.422 10.304 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.944 9.543 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.940 11.288 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.512 10.947 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.852 9.389 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.026 8.573 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.502 8.903 8.839 1.00 0.00 H new ATOM 440 N PRO A 40 -13.383 12.994 2.332 1.00 0.00 N ATOM 441 CA PRO A 40 -12.316 13.124 1.334 1.00 0.00 C ATOM 442 C PRO A 40 -10.936 13.239 1.976 1.00 0.00 C ATOM 443 O PRO A 40 -10.809 13.212 3.198 1.00 0.00 O ATOM 444 CB PRO A 40 -12.669 14.418 0.591 1.00 0.00 C ATOM 445 CG PRO A 40 -14.128 14.609 0.830 1.00 0.00 C ATOM 446 CD PRO A 40 -14.393 14.060 2.200 1.00 0.00 C ATOM 0 HA PRO A 40 -12.260 12.250 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.092 15.262 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.450 14.335 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.399 15.663 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.719 14.086 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.277 14.823 2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.406 13.669 2.289 1.00 0.00 H new ATOM 454 N ARG A 41 -9.910 13.370 1.140 1.00 0.00 N ATOM 455 CA ARG A 41 -8.537 13.493 1.606 1.00 0.00 C ATOM 456 C ARG A 41 -7.582 13.439 0.419 1.00 0.00 C ATOM 457 O ARG A 41 -7.817 12.716 -0.549 1.00 0.00 O ATOM 458 CB ARG A 41 -8.194 12.390 2.615 1.00 0.00 C ATOM 459 CG ARG A 41 -7.604 12.913 3.915 1.00 0.00 C ATOM 460 CD ARG A 41 -8.670 13.514 4.818 1.00 0.00 C ATOM 461 NE ARG A 41 -8.142 13.844 6.140 1.00 0.00 N ATOM 462 CZ ARG A 41 -8.738 14.679 6.989 1.00 0.00 C ATOM 463 NH1 ARG A 41 -9.878 15.271 6.658 1.00 0.00 N ATOM 464 NH2 ARG A 41 -8.190 14.921 8.172 1.00 0.00 N ATOM 0 H ARG A 41 -10.009 13.394 0.125 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.430 14.453 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.096 11.821 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.487 11.698 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.100 12.100 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.848 13.666 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.074 14.414 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.496 12.811 4.922 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.266 13.409 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.303 15.088 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.330 15.910 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.313 14.468 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.645 15.560 8.824 1.00 0.00 H new ATOM 478 N THR A 42 -6.516 14.217 0.496 1.00 0.00 N ATOM 479 CA THR A 42 -5.526 14.278 -0.572 1.00 0.00 C ATOM 480 C THR A 42 -4.463 13.187 -0.398 1.00 0.00 C ATOM 481 O THR A 42 -4.731 12.013 -0.651 1.00 0.00 O ATOM 482 CB THR A 42 -4.885 15.667 -0.606 1.00 0.00 C ATOM 483 OG1 THR A 42 -5.873 16.670 -0.766 1.00 0.00 O ATOM 484 CG2 THR A 42 -3.877 15.834 -1.721 1.00 0.00 C ATOM 0 H THR A 42 -6.311 14.820 1.292 1.00 0.00 H new ATOM 0 HA THR A 42 -6.026 14.100 -1.524 1.00 0.00 H new ATOM 0 HB THR A 42 -4.367 15.770 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.445 17.551 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.461 16.841 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.075 15.106 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.367 15.676 -2.682 1.00 0.00 H new ATOM 492 N ALA A 43 -3.262 13.571 0.039 1.00 0.00 N ATOM 493 CA ALA A 43 -2.187 12.613 0.244 1.00 0.00 C ATOM 494 C ALA A 43 -2.596 11.566 1.269 1.00 0.00 C ATOM 495 O ALA A 43 -2.190 10.407 1.187 1.00 0.00 O ATOM 496 CB ALA A 43 -0.918 13.325 0.685 1.00 0.00 C ATOM 0 H ALA A 43 -3.015 14.537 0.256 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.988 12.109 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.124 12.594 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.616 14.038 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.104 13.854 1.620 1.00 0.00 H new ATOM 502 N GLN A 44 -3.406 11.986 2.235 1.00 0.00 N ATOM 503 CA GLN A 44 -3.878 11.085 3.278 1.00 0.00 C ATOM 504 C GLN A 44 -4.749 9.984 2.685 1.00 0.00 C ATOM 505 O GLN A 44 -4.680 8.829 3.103 1.00 0.00 O ATOM 506 CB GLN A 44 -4.658 11.858 4.341 1.00 0.00 C ATOM 507 CG GLN A 44 -3.791 12.383 5.473 1.00 0.00 C ATOM 508 CD GLN A 44 -4.608 12.928 6.629 1.00 0.00 C ATOM 509 OE1 GLN A 44 -5.608 12.334 7.032 1.00 0.00 O ATOM 510 NE2 GLN A 44 -4.186 14.066 7.169 1.00 0.00 N ATOM 0 H GLN A 44 -3.748 12.943 2.317 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.009 10.624 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.168 12.697 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.429 11.209 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.147 11.581 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.139 13.169 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.352 14.525 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.696 14.480 7.949 1.00 0.00 H new ATOM 519 N ASP A 45 -5.560 10.346 1.698 1.00 0.00 N ATOM 520 CA ASP A 45 -6.433 9.383 1.039 1.00 0.00 C ATOM 521 C ASP A 45 -5.606 8.409 0.213 1.00 0.00 C ATOM 522 O ASP A 45 -5.931 7.225 0.117 1.00 0.00 O ATOM 523 CB ASP A 45 -7.446 10.098 0.140 1.00 0.00 C ATOM 524 CG ASP A 45 -8.341 9.132 -0.613 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.161 8.452 0.038 1.00 0.00 O ATOM 526 OD2 ASP A 45 -8.221 9.057 -1.855 1.00 0.00 O ATOM 0 H ASP A 45 -5.631 11.297 1.337 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.977 8.832 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.062 10.760 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.913 10.726 -0.574 1.00 0.00 H new ATOM 531 N GLU A 46 -4.534 8.920 -0.383 1.00 0.00 N ATOM 532 CA GLU A 46 -3.652 8.099 -1.206 1.00 0.00 C ATOM 533 C GLU A 46 -2.971 7.022 -0.369 1.00 0.00 C ATOM 534 O GLU A 46 -2.881 5.867 -0.781 1.00 0.00 O ATOM 535 CB GLU A 46 -2.604 8.971 -1.900 1.00 0.00 C ATOM 536 CG GLU A 46 -2.911 9.248 -3.361 1.00 0.00 C ATOM 537 CD GLU A 46 -2.180 8.307 -4.300 1.00 0.00 C ATOM 538 OE1 GLU A 46 -0.937 8.399 -4.380 1.00 0.00 O ATOM 539 OE2 GLU A 46 -2.850 7.481 -4.954 1.00 0.00 O ATOM 0 H GLU A 46 -4.255 9.898 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.260 7.608 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.524 9.919 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.632 8.482 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.985 9.158 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.637 10.276 -3.597 1.00 0.00 H new ATOM 546 N LYS A 47 -2.498 7.407 0.807 1.00 0.00 N ATOM 547 CA LYS A 47 -1.834 6.467 1.700 1.00 0.00 C ATOM 548 C LYS A 47 -2.831 5.448 2.234 1.00 0.00 C ATOM 549 O LYS A 47 -2.512 4.270 2.396 1.00 0.00 O ATOM 550 CB LYS A 47 -1.162 7.205 2.859 1.00 0.00 C ATOM 551 CG LYS A 47 -2.116 8.073 3.662 1.00 0.00 C ATOM 552 CD LYS A 47 -1.451 8.625 4.914 1.00 0.00 C ATOM 553 CE LYS A 47 -2.018 7.989 6.173 1.00 0.00 C ATOM 554 NZ LYS A 47 -1.727 8.804 7.386 1.00 0.00 N ATOM 0 H LYS A 47 -2.561 8.360 1.165 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.065 5.942 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.700 6.475 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.360 7.829 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.468 8.898 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.992 7.489 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.377 8.445 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.592 9.705 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.096 7.870 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.598 6.991 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.130 8.337 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.698 8.897 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.150 9.748 7.279 1.00 0.00 H new ATOM 568 N PHE A 48 -4.045 5.915 2.509 1.00 0.00 N ATOM 569 CA PHE A 48 -5.098 5.052 3.030 1.00 0.00 C ATOM 570 C PHE A 48 -5.573 4.060 1.974 1.00 0.00 C ATOM 571 O PHE A 48 -5.801 2.888 2.273 1.00 0.00 O ATOM 572 CB PHE A 48 -6.274 5.895 3.529 1.00 0.00 C ATOM 573 CG PHE A 48 -6.481 5.814 5.015 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.093 4.709 5.584 1.00 0.00 C ATOM 575 CD2 PHE A 48 -6.066 6.846 5.842 1.00 0.00 C ATOM 576 CE1 PHE A 48 -7.285 4.632 6.950 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.255 6.774 7.210 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.866 5.666 7.763 1.00 0.00 C ATOM 0 H PHE A 48 -4.323 6.888 2.379 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.686 4.485 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.110 6.936 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.184 5.569 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.424 3.898 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.590 7.716 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.762 3.764 7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.925 7.583 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.016 5.608 8.831 1.00 0.00 H new ATOM 588 N LEU A 49 -5.721 4.529 0.740 1.00 0.00 N ATOM 589 CA LEU A 49 -6.166 3.663 -0.345 1.00 0.00 C ATOM 590 C LEU A 49 -5.063 2.688 -0.735 1.00 0.00 C ATOM 591 O LEU A 49 -5.333 1.549 -1.116 1.00 0.00 O ATOM 592 CB LEU A 49 -6.602 4.488 -1.560 1.00 0.00 C ATOM 593 CG LEU A 49 -5.525 5.392 -2.160 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.532 4.577 -2.977 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.163 6.476 -3.019 1.00 0.00 C ATOM 0 H LEU A 49 -5.541 5.495 0.468 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.027 3.094 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.952 3.806 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.452 5.106 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.982 5.870 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.774 5.240 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.053 3.837 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.057 4.070 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.384 7.112 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.730 6.013 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.832 7.079 -2.406 1.00 0.00 H new ATOM 607 N ARG A 50 -3.818 3.141 -0.626 1.00 0.00 N ATOM 608 CA ARG A 50 -2.673 2.304 -0.957 1.00 0.00 C ATOM 609 C ARG A 50 -2.543 1.153 0.036 1.00 0.00 C ATOM 610 O ARG A 50 -2.144 0.047 -0.327 1.00 0.00 O ATOM 611 CB ARG A 50 -1.388 3.133 -0.964 1.00 0.00 C ATOM 612 CG ARG A 50 -0.176 2.370 -1.472 1.00 0.00 C ATOM 613 CD ARG A 50 1.117 3.110 -1.171 1.00 0.00 C ATOM 614 NE ARG A 50 2.170 2.780 -2.130 1.00 0.00 N ATOM 615 CZ ARG A 50 3.468 2.964 -1.899 1.00 0.00 C ATOM 616 NH1 ARG A 50 3.878 3.477 -0.745 1.00 0.00 N ATOM 617 NH2 ARG A 50 4.359 2.634 -2.823 1.00 0.00 N ATOM 0 H ARG A 50 -3.578 4.081 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.832 1.891 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.538 4.016 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.187 3.486 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.147 1.383 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.266 2.217 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.933 4.184 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.452 2.861 -0.164 1.00 0.00 H new ATOM 0 HE ARG A 50 1.894 2.385 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.197 3.732 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.874 3.616 -0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.050 2.239 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.354 2.775 -2.646 1.00 0.00 H new ATOM 631 N GLU A 51 -2.885 1.425 1.292 1.00 0.00 N ATOM 632 CA GLU A 51 -2.810 0.415 2.340 1.00 0.00 C ATOM 633 C GLU A 51 -3.926 -0.615 2.185 1.00 0.00 C ATOM 634 O GLU A 51 -3.742 -1.794 2.485 1.00 0.00 O ATOM 635 CB GLU A 51 -2.893 1.073 3.718 1.00 0.00 C ATOM 636 CG GLU A 51 -1.537 1.428 4.306 1.00 0.00 C ATOM 637 CD GLU A 51 -0.780 0.213 4.804 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.162 -0.332 5.860 1.00 0.00 O ATOM 639 OE2 GLU A 51 0.195 -0.194 4.136 1.00 0.00 O ATOM 0 H GLU A 51 -3.217 2.336 1.608 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.853 -0.098 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.495 1.978 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.411 0.401 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.940 1.938 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.675 2.128 5.130 1.00 0.00 H new ATOM 646 N SER A 52 -5.082 -0.157 1.717 1.00 0.00 N ATOM 647 CA SER A 52 -6.230 -1.035 1.522 1.00 0.00 C ATOM 648 C SER A 52 -6.426 -1.354 0.044 1.00 0.00 C ATOM 649 O SER A 52 -7.555 -1.414 -0.443 1.00 0.00 O ATOM 650 CB SER A 52 -7.494 -0.391 2.093 1.00 0.00 C ATOM 651 OG SER A 52 -7.192 0.434 3.204 1.00 0.00 O ATOM 0 H SER A 52 -5.249 0.817 1.466 1.00 0.00 H new ATOM 0 HA SER A 52 -6.038 -1.968 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.985 0.201 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.197 -1.168 2.394 1.00 0.00 H new ATOM 0 HG SER A 52 -6.804 1.277 2.889 1.00 0.00 H new ATOM 657 N ALA A 53 -5.320 -1.556 -0.664 1.00 0.00 N ATOM 658 CA ALA A 53 -5.370 -1.866 -2.087 1.00 0.00 C ATOM 659 C ALA A 53 -4.387 -2.977 -2.439 1.00 0.00 C ATOM 660 O ALA A 53 -3.209 -2.911 -2.087 1.00 0.00 O ATOM 661 CB ALA A 53 -5.080 -0.621 -2.911 1.00 0.00 C ATOM 0 H ALA A 53 -4.378 -1.510 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.375 -2.216 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.121 -0.869 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.824 0.144 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.087 -0.245 -2.665 1.00 0.00 H new ATOM 667 N CYS A 54 -4.878 -3.996 -3.137 1.00 0.00 N ATOM 668 CA CYS A 54 -4.041 -5.122 -3.536 1.00 0.00 C ATOM 669 C CYS A 54 -2.959 -4.673 -4.514 1.00 0.00 C ATOM 670 O CYS A 54 -3.099 -4.830 -5.726 1.00 0.00 O ATOM 671 CB CYS A 54 -4.896 -6.220 -4.171 1.00 0.00 C ATOM 672 SG CYS A 54 -5.825 -7.226 -2.970 1.00 0.00 S ATOM 0 H CYS A 54 -5.850 -4.065 -3.438 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.558 -5.519 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.599 -5.762 -4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.251 -6.875 -4.756 1.00 0.00 H new ATOM 677 N GLY A 55 -1.879 -4.114 -3.977 1.00 0.00 N ATOM 678 CA GLY A 55 -0.790 -3.651 -4.814 1.00 0.00 C ATOM 679 C GLY A 55 -1.143 -2.393 -5.582 1.00 0.00 C ATOM 680 O GLY A 55 -2.311 -2.008 -5.650 1.00 0.00 O ATOM 0 H GLY A 55 -1.740 -3.974 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.085 -3.460 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.517 -4.438 -5.517 1.00 0.00 H new ATOM 684 N PHE A 56 -0.133 -1.751 -6.162 1.00 0.00 N ATOM 685 CA PHE A 56 -0.344 -0.528 -6.928 1.00 0.00 C ATOM 686 C PHE A 56 0.253 -0.653 -8.326 1.00 0.00 C ATOM 687 O PHE A 56 1.408 -0.297 -8.553 1.00 0.00 O ATOM 688 CB PHE A 56 0.276 0.667 -6.202 1.00 0.00 C ATOM 689 CG PHE A 56 -0.509 1.938 -6.359 1.00 0.00 C ATOM 690 CD1 PHE A 56 -1.508 2.266 -5.455 1.00 0.00 C ATOM 691 CD2 PHE A 56 -0.247 2.806 -7.406 1.00 0.00 C ATOM 692 CE1 PHE A 56 -2.232 3.436 -5.596 1.00 0.00 C ATOM 693 CE2 PHE A 56 -0.968 3.975 -7.552 1.00 0.00 C ATOM 694 CZ PHE A 56 -1.961 4.291 -6.645 1.00 0.00 C ATOM 0 H PHE A 56 0.839 -2.058 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.418 -0.369 -7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.363 0.432 -5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.287 0.825 -6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.723 1.601 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.530 2.566 -8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.008 3.680 -4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.756 4.642 -8.375 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.524 5.206 -6.757 1.00 0.00 H new ATOM 704 N ASP A 57 -0.545 -1.160 -9.261 1.00 0.00 N ATOM 705 CA ASP A 57 -0.097 -1.331 -10.638 1.00 0.00 C ATOM 706 C ASP A 57 -0.253 -0.033 -11.425 1.00 0.00 C ATOM 707 O ASP A 57 0.695 0.444 -12.048 1.00 0.00 O ATOM 708 CB ASP A 57 -0.882 -2.454 -11.316 1.00 0.00 C ATOM 709 CG ASP A 57 -0.013 -3.307 -12.217 1.00 0.00 C ATOM 710 OD1 ASP A 57 0.719 -4.172 -11.690 1.00 0.00 O ATOM 711 OD2 ASP A 57 -0.062 -3.111 -13.450 1.00 0.00 O ATOM 0 H ASP A 57 -1.505 -1.459 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 57 0.960 -1.598 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.339 -3.085 -10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.694 -2.023 -11.902 1.00 0.00 H new ATOM 716 N GLY A 58 -1.455 0.532 -11.393 1.00 0.00 N ATOM 717 CA GLY A 58 -1.714 1.769 -12.107 1.00 0.00 C ATOM 718 C GLY A 58 -2.981 1.708 -12.935 1.00 0.00 C ATOM 719 O GLY A 58 -3.993 2.314 -12.581 1.00 0.00 O ATOM 0 H GLY A 58 -2.255 0.155 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.791 2.588 -11.392 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.869 1.992 -12.758 1.00 0.00 H new ATOM 723 N GLN A 59 -2.928 0.976 -14.043 1.00 0.00 N ATOM 724 CA GLN A 59 -4.079 0.838 -14.927 1.00 0.00 C ATOM 725 C GLN A 59 -5.125 -0.099 -14.326 1.00 0.00 C ATOM 726 O GLN A 59 -6.300 -0.044 -14.690 1.00 0.00 O ATOM 727 CB GLN A 59 -3.637 0.321 -16.298 1.00 0.00 C ATOM 728 CG GLN A 59 -3.779 1.348 -17.410 1.00 0.00 C ATOM 729 CD GLN A 59 -3.536 0.754 -18.784 1.00 0.00 C ATOM 730 OE1 GLN A 59 -3.723 -0.443 -18.997 1.00 0.00 O ATOM 731 NE2 GLN A 59 -3.118 1.593 -19.726 1.00 0.00 N ATOM 0 H GLN A 59 -2.098 0.468 -14.350 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.531 1.822 -15.047 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.596 0.003 -16.239 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.226 -0.561 -16.552 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.779 1.779 -17.376 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.075 2.162 -17.240 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.976 2.579 -19.505 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.939 1.251 -20.670 1.00 0.00 H new ATOM 740 N THR A 60 -4.695 -0.958 -13.406 1.00 0.00 N ATOM 741 CA THR A 60 -5.599 -1.901 -12.760 1.00 0.00 C ATOM 742 C THR A 60 -5.884 -1.487 -11.319 1.00 0.00 C ATOM 743 O THR A 60 -5.221 -1.947 -10.389 1.00 0.00 O ATOM 744 CB THR A 60 -5.004 -3.310 -12.788 1.00 0.00 C ATOM 745 OG1 THR A 60 -4.107 -3.455 -13.873 1.00 0.00 O ATOM 746 CG2 THR A 60 -6.049 -4.400 -12.906 1.00 0.00 C ATOM 0 H THR A 60 -3.726 -1.019 -13.092 1.00 0.00 H new ATOM 0 HA THR A 60 -6.539 -1.898 -13.312 1.00 0.00 H new ATOM 0 HB THR A 60 -4.490 -3.424 -11.834 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.736 -4.362 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.559 -5.374 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.727 -4.348 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.614 -4.264 -13.828 1.00 0.00 H new ATOM 754 N PRO A 61 -6.880 -0.607 -11.114 1.00 0.00 N ATOM 755 CA PRO A 61 -7.249 -0.133 -9.777 1.00 0.00 C ATOM 756 C PRO A 61 -7.959 -1.208 -8.960 1.00 0.00 C ATOM 757 O PRO A 61 -8.934 -1.805 -9.416 1.00 0.00 O ATOM 758 CB PRO A 61 -8.196 1.031 -10.066 1.00 0.00 C ATOM 759 CG PRO A 61 -8.792 0.713 -11.394 1.00 0.00 C ATOM 760 CD PRO A 61 -7.722 -0.009 -12.167 1.00 0.00 C ATOM 0 HA PRO A 61 -6.377 0.146 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.964 1.117 -9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.661 1.980 -10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.681 0.091 -11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.101 1.622 -11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.145 -0.770 -12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.152 0.674 -12.797 1.00 0.00 H new ATOM 768 N LYS A 62 -7.463 -1.451 -7.751 1.00 0.00 N ATOM 769 CA LYS A 62 -8.052 -2.455 -6.874 1.00 0.00 C ATOM 770 C LYS A 62 -8.125 -1.949 -5.436 1.00 0.00 C ATOM 771 O LYS A 62 -7.405 -1.027 -5.054 1.00 0.00 O ATOM 772 CB LYS A 62 -7.240 -3.750 -6.929 1.00 0.00 C ATOM 773 CG LYS A 62 -7.672 -4.693 -8.040 1.00 0.00 C ATOM 774 CD LYS A 62 -6.676 -4.702 -9.191 1.00 0.00 C ATOM 775 CE LYS A 62 -6.264 -6.117 -9.564 1.00 0.00 C ATOM 776 NZ LYS A 62 -5.512 -6.786 -8.467 1.00 0.00 N ATOM 0 H LYS A 62 -6.656 -0.967 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.066 -2.654 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.187 -3.503 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.328 -4.265 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.776 -5.702 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.653 -4.394 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.117 -4.210 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.793 -4.127 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.152 -6.702 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.647 -6.090 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.954 -7.572 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.874 -6.100 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.181 -7.154 -7.761 1.00 0.00 H new ATOM 790 N VAL A 63 -8.998 -2.562 -4.643 1.00 0.00 N ATOM 791 CA VAL A 63 -9.166 -2.176 -3.248 1.00 0.00 C ATOM 792 C VAL A 63 -9.516 -3.385 -2.386 1.00 0.00 C ATOM 793 O VAL A 63 -10.033 -4.385 -2.881 1.00 0.00 O ATOM 794 CB VAL A 63 -10.262 -1.109 -3.086 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.287 -0.578 -1.661 1.00 0.00 C ATOM 796 CG2 VAL A 63 -10.058 0.023 -4.081 1.00 0.00 C ATOM 0 H VAL A 63 -9.600 -3.329 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.215 -1.758 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.226 -1.573 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.069 0.176 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.488 -1.397 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.322 -0.131 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.843 0.768 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.086 0.486 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.098 -0.373 -5.096 1.00 0.00 H new ATOM 806 N CYS A 64 -9.231 -3.284 -1.091 1.00 0.00 N ATOM 807 CA CYS A 64 -9.517 -4.371 -0.161 1.00 0.00 C ATOM 808 C CYS A 64 -10.736 -4.051 0.697 1.00 0.00 C ATOM 809 O CYS A 64 -10.777 -3.026 1.379 1.00 0.00 O ATOM 810 CB CYS A 64 -8.305 -4.637 0.734 1.00 0.00 C ATOM 811 SG CYS A 64 -7.161 -5.896 0.081 1.00 0.00 S ATOM 0 H CYS A 64 -8.803 -2.463 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.733 -5.265 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.759 -3.704 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.655 -4.954 1.717 1.00 0.00 H new ATOM 816 N CYS A 65 -11.724 -4.937 0.663 1.00 0.00 N ATOM 817 CA CYS A 65 -12.945 -4.758 1.439 1.00 0.00 C ATOM 818 C CYS A 65 -13.150 -5.932 2.397 1.00 0.00 C ATOM 819 O CYS A 65 -13.359 -7.065 1.961 1.00 0.00 O ATOM 820 CB CYS A 65 -14.150 -4.631 0.504 1.00 0.00 C ATOM 821 SG CYS A 65 -14.665 -2.914 0.180 1.00 0.00 S ATOM 0 H CYS A 65 -11.703 -5.790 0.104 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.850 -3.843 2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.912 -5.112 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.990 -5.175 0.936 1.00 0.00 H new ATOM 826 N PRO A 66 -13.097 -5.682 3.717 1.00 0.00 N ATOM 827 CA PRO A 66 -13.279 -6.732 4.724 1.00 0.00 C ATOM 828 C PRO A 66 -14.744 -7.115 4.902 1.00 0.00 C ATOM 829 O PRO A 66 -15.292 -7.020 6.001 1.00 0.00 O ATOM 830 CB PRO A 66 -12.736 -6.085 5.997 1.00 0.00 C ATOM 831 CG PRO A 66 -12.990 -4.629 5.813 1.00 0.00 C ATOM 832 CD PRO A 66 -12.852 -4.363 4.335 1.00 0.00 C ATOM 0 HA PRO A 66 -12.777 -7.659 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.242 -6.467 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.673 -6.290 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.985 -4.360 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.277 -4.034 6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.573 -3.620 3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.861 -3.983 4.087 1.00 0.00 H new TER 840 PRO A 66