USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 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 64 HIS : no HD1:sc= -2.4! K(o=-3.4!,f=-1.5) USER MOD Set 1.2: A 90 MET CE :methyl -125:sc= -0.997 (180deg=-0.926) USER MOD Single : A 1 ILE N :NH3+ -145:sc= -0.13 (180deg=-1.09) USER MOD Single : A 2 SER OG : rot 54:sc= 0.768 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 14 THR OG1 : rot 103:sc= 0.933 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 96:sc= 0.663 USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.39) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 68:sc= 0.987 USER MOD Single : A 34 SER OG : rot 178:sc= 0.0132 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.52 K(o=-2.5,f=-9.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.56) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 143:sc= -0.903 USER MOD Single : A 85 THR OG1 : rot -97:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 60:sc= 0.817 USER MOD Single : A 93 ASN : amide:sc= -1.95 K(o=-2,f=-3.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -21.674 15.505 8.852 1.00 0.00 N ATOM 2 CA ILE A 1 -21.657 16.379 7.692 1.00 0.00 C ATOM 3 C ILE A 1 -20.478 17.348 7.805 1.00 0.00 C ATOM 4 O ILE A 1 -20.637 18.472 8.278 1.00 0.00 O ATOM 5 CB ILE A 1 -23.010 17.074 7.524 1.00 0.00 C ATOM 6 CG1 ILE A 1 -24.118 16.057 7.244 1.00 0.00 C ATOM 7 CG2 ILE A 1 -22.940 18.157 6.446 1.00 0.00 C ATOM 8 CD1 ILE A 1 -25.487 16.616 7.633 1.00 0.00 C ATOM 0 H1 ILE A 1 -22.003 14.560 8.570 1.00 0.00 H new ATOM 0 H2 ILE A 1 -20.715 15.434 9.248 1.00 0.00 H new ATOM 0 H3 ILE A 1 -22.317 15.894 9.571 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.507 15.799 6.781 1.00 0.00 H new ATOM 0 HB ILE A 1 -23.258 17.570 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -24.116 15.794 6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -23.924 15.140 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -23.915 18.635 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -22.197 18.903 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -22.659 17.706 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -26.256 15.873 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -25.494 16.855 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -25.688 17.519 7.057 1.00 0.00 H new ATOM 20 N SER A 2 -19.321 16.876 7.364 1.00 0.00 N ATOM 21 CA SER A 2 -18.116 17.686 7.411 1.00 0.00 C ATOM 22 C SER A 2 -16.947 16.921 6.788 1.00 0.00 C ATOM 23 O SER A 2 -16.331 17.391 5.832 1.00 0.00 O ATOM 24 CB SER A 2 -17.780 18.092 8.847 1.00 0.00 C ATOM 25 OG SER A 2 -18.208 19.419 9.141 1.00 0.00 O ATOM 0 H SER A 2 -19.193 15.943 6.973 1.00 0.00 H new ATOM 0 HA SER A 2 -18.293 18.596 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.253 17.397 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.704 18.015 9.003 1.00 0.00 H new ATOM 0 HG SER A 2 -19.163 19.507 8.938 1.00 0.00 H new ATOM 31 N GLU A 3 -16.675 15.754 7.355 1.00 0.00 N ATOM 32 CA GLU A 3 -15.591 14.919 6.868 1.00 0.00 C ATOM 33 C GLU A 3 -14.284 15.714 6.832 1.00 0.00 C ATOM 34 O GLU A 3 -13.839 16.136 5.766 1.00 0.00 O ATOM 35 CB GLU A 3 -15.920 14.343 5.489 1.00 0.00 C ATOM 36 CG GLU A 3 -15.634 12.841 5.441 1.00 0.00 C ATOM 37 CD GLU A 3 -16.608 12.128 4.500 1.00 0.00 C ATOM 38 OE1 GLU A 3 -17.810 12.097 4.845 1.00 0.00 O ATOM 39 OE2 GLU A 3 -16.130 11.630 3.459 1.00 0.00 O ATOM 0 H GLU A 3 -17.188 15.367 8.148 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.466 14.082 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.969 14.525 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.331 14.854 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.610 12.672 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.716 12.419 6.443 1.00 0.00 H new ATOM 46 N PHE A 4 -13.706 15.894 8.011 1.00 0.00 N ATOM 47 CA PHE A 4 -12.459 16.631 8.128 1.00 0.00 C ATOM 48 C PHE A 4 -11.362 15.758 8.743 1.00 0.00 C ATOM 49 O PHE A 4 -11.240 15.677 9.964 1.00 0.00 O ATOM 50 CB PHE A 4 -12.727 17.820 9.053 1.00 0.00 C ATOM 51 CG PHE A 4 -12.375 19.177 8.441 1.00 0.00 C ATOM 52 CD1 PHE A 4 -11.073 19.511 8.231 1.00 0.00 C ATOM 53 CD2 PHE A 4 -13.363 20.049 8.106 1.00 0.00 C ATOM 54 CE1 PHE A 4 -10.746 20.770 7.662 1.00 0.00 C ATOM 55 CE2 PHE A 4 -13.036 21.308 7.538 1.00 0.00 C ATOM 56 CZ PHE A 4 -11.735 21.642 7.328 1.00 0.00 C ATOM 0 H PHE A 4 -14.078 15.542 8.893 1.00 0.00 H new ATOM 0 HA PHE A 4 -12.122 16.951 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -13.781 17.821 9.331 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -12.156 17.688 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.288 18.818 8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -14.397 19.784 8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.713 21.035 7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.821 22.001 7.273 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.487 22.600 6.896 1.00 0.00 H new ATOM 66 N ALA A 5 -10.593 15.128 7.868 1.00 0.00 N ATOM 67 CA ALA A 5 -9.511 14.264 8.310 1.00 0.00 C ATOM 68 C ALA A 5 -8.469 14.149 7.195 1.00 0.00 C ATOM 69 O ALA A 5 -8.790 14.318 6.020 1.00 0.00 O ATOM 70 CB ALA A 5 -10.078 12.904 8.720 1.00 0.00 C ATOM 0 H ALA A 5 -10.697 15.198 6.856 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.015 14.687 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.266 12.256 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.791 13.037 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.581 12.448 7.868 1.00 0.00 H new ATOM 76 N PRO A 6 -7.209 13.856 7.614 1.00 0.00 N ATOM 77 CA PRO A 6 -6.117 13.716 6.665 1.00 0.00 C ATOM 78 C PRO A 6 -6.213 12.389 5.911 1.00 0.00 C ATOM 79 O PRO A 6 -6.718 11.402 6.445 1.00 0.00 O ATOM 80 CB PRO A 6 -4.853 13.835 7.499 1.00 0.00 C ATOM 81 CG PRO A 6 -5.274 13.572 8.936 1.00 0.00 C ATOM 82 CD PRO A 6 -6.791 13.649 8.998 1.00 0.00 C ATOM 0 HA PRO A 6 -6.137 14.478 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.102 13.115 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.410 14.826 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.928 12.591 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.827 14.307 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.217 12.733 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.120 14.468 9.638 1.00 0.00 H new ATOM 90 N VAL A 7 -5.721 12.407 4.681 1.00 0.00 N ATOM 91 CA VAL A 7 -5.745 11.216 3.848 1.00 0.00 C ATOM 92 C VAL A 7 -5.266 10.016 4.667 1.00 0.00 C ATOM 93 O VAL A 7 -4.618 10.183 5.699 1.00 0.00 O ATOM 94 CB VAL A 7 -4.914 11.446 2.583 1.00 0.00 C ATOM 95 CG1 VAL A 7 -4.769 10.152 1.780 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.518 12.559 1.725 1.00 0.00 C ATOM 0 H VAL A 7 -5.303 13.227 4.241 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.762 11.000 3.519 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.917 11.763 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.175 10.343 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.273 9.398 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.756 9.792 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.908 12.702 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.531 12.283 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.546 13.486 2.298 1.00 0.00 H new ATOM 106 N ASP A 8 -5.605 8.833 4.176 1.00 0.00 N ATOM 107 CA ASP A 8 -5.218 7.605 4.850 1.00 0.00 C ATOM 108 C ASP A 8 -4.486 6.695 3.861 1.00 0.00 C ATOM 109 O ASP A 8 -3.443 6.130 4.187 1.00 0.00 O ATOM 110 CB ASP A 8 -6.444 6.851 5.368 1.00 0.00 C ATOM 111 CG ASP A 8 -7.628 6.799 4.400 1.00 0.00 C ATOM 112 OD1 ASP A 8 -8.136 7.891 4.066 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.997 5.668 4.015 1.00 0.00 O ATOM 0 H ASP A 8 -6.143 8.699 3.320 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.576 7.869 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.148 5.831 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.773 7.318 6.296 1.00 0.00 H new ATOM 118 N CYS A 9 -5.062 6.580 2.674 1.00 0.00 N ATOM 119 CA CYS A 9 -4.477 5.748 1.636 1.00 0.00 C ATOM 120 C CYS A 9 -4.640 4.283 2.046 1.00 0.00 C ATOM 121 O CYS A 9 -5.350 3.526 1.387 1.00 0.00 O ATOM 122 CB CYS A 9 -3.013 6.110 1.378 1.00 0.00 C ATOM 123 SG CYS A 9 -2.717 7.870 0.974 1.00 0.00 S ATOM 0 H CYS A 9 -5.928 7.049 2.408 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.996 5.920 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.428 5.851 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.641 5.496 0.558 1.00 0.00 H new ATOM 128 N LYS A 10 -3.970 3.929 3.133 1.00 0.00 N ATOM 129 CA LYS A 10 -4.031 2.568 3.639 1.00 0.00 C ATOM 130 C LYS A 10 -5.469 2.055 3.537 1.00 0.00 C ATOM 131 O LYS A 10 -5.728 1.052 2.875 1.00 0.00 O ATOM 132 CB LYS A 10 -3.451 2.496 5.053 1.00 0.00 C ATOM 133 CG LYS A 10 -3.574 1.082 5.624 1.00 0.00 C ATOM 134 CD LYS A 10 -4.575 1.043 6.780 1.00 0.00 C ATOM 135 CE LYS A 10 -5.386 -0.254 6.760 1.00 0.00 C ATOM 136 NZ LYS A 10 -6.233 -0.354 7.970 1.00 0.00 N ATOM 0 H LYS A 10 -3.382 4.561 3.677 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.412 1.907 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.403 2.795 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.973 3.200 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.892 0.396 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.599 0.740 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.044 1.130 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.248 1.898 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.011 -0.285 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.713 -1.110 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.777 -1.240 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.630 -0.346 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.888 0.453 8.003 1.00 0.00 H new ATOM 150 N GLY A 11 -6.366 2.767 4.204 1.00 0.00 N ATOM 151 CA GLY A 11 -7.771 2.396 4.197 1.00 0.00 C ATOM 152 C GLY A 11 -8.381 2.588 2.807 1.00 0.00 C ATOM 153 O GLY A 11 -8.906 1.642 2.220 1.00 0.00 O ATOM 0 H GLY A 11 -6.147 3.599 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.878 1.356 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.314 3.001 4.923 1.00 0.00 H new ATOM 157 N GLN A 12 -8.293 3.817 2.321 1.00 0.00 N ATOM 158 CA GLN A 12 -8.830 4.144 1.011 1.00 0.00 C ATOM 159 C GLN A 12 -8.473 3.051 0.003 1.00 0.00 C ATOM 160 O GLN A 12 -9.262 2.743 -0.890 1.00 0.00 O ATOM 161 CB GLN A 12 -8.329 5.511 0.539 1.00 0.00 C ATOM 162 CG GLN A 12 -9.126 6.642 1.191 1.00 0.00 C ATOM 163 CD GLN A 12 -10.268 7.102 0.284 1.00 0.00 C ATOM 164 OE1 GLN A 12 -11.124 6.331 -0.120 1.00 0.00 O ATOM 165 NE2 GLN A 12 -10.235 8.398 -0.014 1.00 0.00 N ATOM 0 H GLN A 12 -7.858 4.599 2.811 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.916 4.198 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.272 5.619 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.415 5.579 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.529 6.304 2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.465 7.482 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.490 8.988 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.954 8.802 -0.614 1.00 0.00 H new ATOM 174 N CYS A 13 -7.284 2.493 0.178 1.00 0.00 N ATOM 175 CA CYS A 13 -6.813 1.441 -0.706 1.00 0.00 C ATOM 176 C CYS A 13 -7.464 0.124 -0.274 1.00 0.00 C ATOM 177 O CYS A 13 -6.774 -0.805 0.143 1.00 0.00 O ATOM 178 CB CYS A 13 -5.286 1.348 -0.711 1.00 0.00 C ATOM 179 SG CYS A 13 -4.433 2.778 -1.469 1.00 0.00 S ATOM 0 H CYS A 13 -6.633 2.750 0.920 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.101 1.668 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.939 1.239 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.993 0.444 -1.244 1.00 0.00 H new ATOM 184 N THR A 14 -8.783 0.088 -0.389 1.00 0.00 N ATOM 185 CA THR A 14 -9.534 -1.099 -0.016 1.00 0.00 C ATOM 186 C THR A 14 -9.830 -1.952 -1.250 1.00 0.00 C ATOM 187 O THR A 14 -9.771 -3.180 -1.190 1.00 0.00 O ATOM 188 CB THR A 14 -10.793 -0.648 0.727 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.320 -0.280 2.020 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.759 -1.803 0.998 1.00 0.00 C ATOM 0 H THR A 14 -9.351 0.861 -0.735 1.00 0.00 H new ATOM 0 HA THR A 14 -8.957 -1.739 0.652 1.00 0.00 H new ATOM 0 HB THR A 14 -11.301 0.121 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.264 0.696 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.635 -1.428 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.069 -2.248 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.262 -2.557 1.608 1.00 0.00 H new ATOM 198 N THR A 15 -10.143 -1.269 -2.342 1.00 0.00 N ATOM 199 CA THR A 15 -10.449 -1.949 -3.589 1.00 0.00 C ATOM 200 C THR A 15 -9.196 -2.626 -4.148 1.00 0.00 C ATOM 201 O THR A 15 -9.243 -3.784 -4.559 1.00 0.00 O ATOM 202 CB THR A 15 -11.066 -0.927 -4.545 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.467 -1.178 -4.465 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.720 -1.212 -6.009 1.00 0.00 C ATOM 0 H THR A 15 -10.191 -0.251 -2.389 1.00 0.00 H new ATOM 0 HA THR A 15 -11.172 -2.750 -3.436 1.00 0.00 H new ATOM 0 HB THR A 15 -10.723 0.073 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.945 -0.557 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.182 -0.458 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.638 -1.183 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.093 -2.198 -6.286 1.00 0.00 H new ATOM 212 N PRO A 16 -8.076 -1.855 -4.145 1.00 0.00 N ATOM 213 CA PRO A 16 -6.813 -2.367 -4.647 1.00 0.00 C ATOM 214 C PRO A 16 -6.184 -3.345 -3.653 1.00 0.00 C ATOM 215 O PRO A 16 -5.278 -4.098 -4.006 1.00 0.00 O ATOM 216 CB PRO A 16 -5.957 -1.135 -4.891 1.00 0.00 C ATOM 217 CG PRO A 16 -6.597 -0.017 -4.085 1.00 0.00 C ATOM 218 CD PRO A 16 -7.984 -0.479 -3.666 1.00 0.00 C ATOM 0 HA PRO A 16 -6.928 -2.943 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.928 -1.305 -4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.927 -0.884 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.992 0.217 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.662 0.894 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.109 -0.427 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.760 0.147 -4.107 1.00 0.00 H new ATOM 226 N CYS A 17 -6.689 -3.301 -2.429 1.00 0.00 N ATOM 227 CA CYS A 17 -6.188 -4.173 -1.380 1.00 0.00 C ATOM 228 C CYS A 17 -7.339 -5.062 -0.904 1.00 0.00 C ATOM 229 O CYS A 17 -7.283 -5.624 0.189 1.00 0.00 O ATOM 230 CB CYS A 17 -5.568 -3.377 -0.230 1.00 0.00 C ATOM 231 SG CYS A 17 -4.427 -2.043 -0.748 1.00 0.00 S ATOM 0 H CYS A 17 -7.440 -2.675 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.387 -4.798 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.370 -2.939 0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.028 -4.065 0.420 1.00 0.00 H new ATOM 236 N GLU A 18 -8.355 -5.162 -1.748 1.00 0.00 N ATOM 237 CA GLU A 18 -9.517 -5.973 -1.427 1.00 0.00 C ATOM 238 C GLU A 18 -9.165 -7.460 -1.507 1.00 0.00 C ATOM 239 O GLU A 18 -9.340 -8.196 -0.537 1.00 0.00 O ATOM 240 CB GLU A 18 -10.692 -5.637 -2.348 1.00 0.00 C ATOM 241 CG GLU A 18 -11.908 -5.179 -1.541 1.00 0.00 C ATOM 242 CD GLU A 18 -13.210 -5.560 -2.248 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.638 -6.720 -2.065 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.749 -4.682 -2.957 1.00 0.00 O ATOM 0 H GLU A 18 -8.398 -4.695 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.823 -5.747 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.399 -4.853 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.954 -6.512 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.882 -5.631 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.869 -4.099 -1.400 1.00 0.00 H new ATOM 251 N PRO A 19 -8.663 -7.868 -2.703 1.00 0.00 N ATOM 252 CA PRO A 19 -8.285 -9.254 -2.922 1.00 0.00 C ATOM 253 C PRO A 19 -6.967 -9.581 -2.218 1.00 0.00 C ATOM 254 O PRO A 19 -6.710 -10.734 -1.877 1.00 0.00 O ATOM 255 CB PRO A 19 -8.205 -9.406 -4.433 1.00 0.00 C ATOM 256 CG PRO A 19 -8.084 -7.995 -4.987 1.00 0.00 C ATOM 257 CD PRO A 19 -8.442 -7.024 -3.874 1.00 0.00 C ATOM 0 HA PRO A 19 -9.004 -9.957 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.346 -10.013 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.092 -9.904 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.070 -7.810 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.750 -7.861 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.639 -6.308 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.334 -6.449 -4.122 1.00 0.00 H new ATOM 265 N LEU A 20 -6.165 -8.544 -2.021 1.00 0.00 N ATOM 266 CA LEU A 20 -4.880 -8.707 -1.363 1.00 0.00 C ATOM 267 C LEU A 20 -5.105 -8.993 0.123 1.00 0.00 C ATOM 268 O LEU A 20 -4.668 -10.023 0.633 1.00 0.00 O ATOM 269 CB LEU A 20 -3.986 -7.493 -1.627 1.00 0.00 C ATOM 270 CG LEU A 20 -2.862 -7.256 -0.616 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.353 -6.409 0.560 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.251 -8.580 -0.154 1.00 0.00 C ATOM 0 H LEU A 20 -6.381 -7.589 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.347 -9.563 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.541 -7.602 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.615 -6.603 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.071 -6.693 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.535 -6.255 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.702 -5.444 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.172 -6.924 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.455 -8.382 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.021 -9.191 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.841 -9.111 -1.013 1.00 0.00 H new ATOM 284 N THR A 21 -5.786 -8.062 0.776 1.00 0.00 N ATOM 285 CA THR A 21 -6.074 -8.202 2.193 1.00 0.00 C ATOM 286 C THR A 21 -6.746 -9.548 2.471 1.00 0.00 C ATOM 287 O THR A 21 -6.320 -10.287 3.358 1.00 0.00 O ATOM 288 CB THR A 21 -6.918 -7.001 2.624 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.010 -5.904 2.581 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.339 -7.078 4.093 1.00 0.00 C ATOM 0 H THR A 21 -6.146 -7.208 0.350 1.00 0.00 H new ATOM 0 HA THR A 21 -5.158 -8.204 2.784 1.00 0.00 H new ATOM 0 HB THR A 21 -7.806 -6.938 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.103 -5.436 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.936 -6.202 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.930 -7.979 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.451 -7.108 4.725 1.00 0.00 H new ATOM 298 N ALA A 22 -7.784 -9.826 1.696 1.00 0.00 N ATOM 299 CA ALA A 22 -8.519 -11.070 1.847 1.00 0.00 C ATOM 300 C ALA A 22 -7.533 -12.241 1.862 1.00 0.00 C ATOM 301 O ALA A 22 -7.648 -13.143 2.690 1.00 0.00 O ATOM 302 CB ALA A 22 -9.552 -11.193 0.726 1.00 0.00 C ATOM 0 H ALA A 22 -8.133 -9.211 0.961 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.061 -11.083 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.103 -12.127 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.246 -10.354 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.045 -11.187 -0.239 1.00 0.00 H new ATOM 308 N CYS A 23 -6.587 -12.188 0.937 1.00 0.00 N ATOM 309 CA CYS A 23 -5.583 -13.233 0.833 1.00 0.00 C ATOM 310 C CYS A 23 -4.878 -13.357 2.185 1.00 0.00 C ATOM 311 O CYS A 23 -4.875 -14.428 2.791 1.00 0.00 O ATOM 312 CB CYS A 23 -4.594 -12.957 -0.302 1.00 0.00 C ATOM 313 SG CYS A 23 -3.889 -14.452 -1.087 1.00 0.00 S ATOM 0 H CYS A 23 -6.494 -11.438 0.252 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.064 -14.179 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.097 -12.365 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.777 -12.349 0.087 1.00 0.00 H new ATOM 318 N LYS A 24 -4.297 -12.248 2.618 1.00 0.00 N ATOM 319 CA LYS A 24 -3.591 -12.220 3.888 1.00 0.00 C ATOM 320 C LYS A 24 -4.506 -12.760 4.988 1.00 0.00 C ATOM 321 O LYS A 24 -4.105 -13.624 5.766 1.00 0.00 O ATOM 322 CB LYS A 24 -3.052 -10.816 4.170 1.00 0.00 C ATOM 323 CG LYS A 24 -1.526 -10.826 4.282 1.00 0.00 C ATOM 324 CD LYS A 24 -0.960 -9.409 4.178 1.00 0.00 C ATOM 325 CE LYS A 24 -0.412 -8.937 5.526 1.00 0.00 C ATOM 326 NZ LYS A 24 0.809 -8.122 5.334 1.00 0.00 N ATOM 0 H LYS A 24 -4.301 -11.362 2.112 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.717 -12.871 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.357 -10.139 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.485 -10.435 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.230 -11.271 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.104 -11.449 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.167 -9.384 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.739 -8.726 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.169 -8.351 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.186 -9.798 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.937 -7.491 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.635 -8.749 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.714 -7.553 4.469 1.00 0.00 H new ATOM 340 N GLU A 25 -5.720 -12.229 5.018 1.00 0.00 N ATOM 341 CA GLU A 25 -6.695 -12.647 6.010 1.00 0.00 C ATOM 342 C GLU A 25 -6.847 -14.170 5.997 1.00 0.00 C ATOM 343 O GLU A 25 -6.466 -14.843 6.953 1.00 0.00 O ATOM 344 CB GLU A 25 -8.043 -11.960 5.778 1.00 0.00 C ATOM 345 CG GLU A 25 -8.437 -11.105 6.984 1.00 0.00 C ATOM 346 CD GLU A 25 -9.380 -11.871 7.914 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.316 -12.502 7.378 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.143 -11.808 9.140 1.00 0.00 O ATOM 0 H GLU A 25 -6.050 -11.513 4.371 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.335 -12.346 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.988 -11.335 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.811 -12.711 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.543 -10.808 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.921 -10.190 6.643 1.00 0.00 H new ATOM 355 N LYS A 26 -7.404 -14.667 4.902 1.00 0.00 N ATOM 356 CA LYS A 26 -7.611 -16.098 4.752 1.00 0.00 C ATOM 357 C LYS A 26 -6.402 -16.845 5.317 1.00 0.00 C ATOM 358 O LYS A 26 -6.555 -17.881 5.964 1.00 0.00 O ATOM 359 CB LYS A 26 -7.921 -16.444 3.294 1.00 0.00 C ATOM 360 CG LYS A 26 -8.758 -17.721 3.200 1.00 0.00 C ATOM 361 CD LYS A 26 -7.927 -18.882 2.649 1.00 0.00 C ATOM 362 CE LYS A 26 -8.826 -19.961 2.043 1.00 0.00 C ATOM 363 NZ LYS A 26 -8.050 -20.831 1.131 1.00 0.00 N ATOM 0 H LYS A 26 -7.718 -14.105 4.111 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.481 -16.420 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.457 -15.618 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.990 -16.573 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.144 -17.981 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.620 -17.548 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.236 -18.512 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.323 -19.313 3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.270 -20.561 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.647 -19.495 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.676 -21.558 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.647 -20.257 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.281 -21.290 1.660 1.00 0.00 H new ATOM 377 N CYS A 27 -5.227 -16.292 5.054 1.00 0.00 N ATOM 378 CA CYS A 27 -3.993 -16.894 5.528 1.00 0.00 C ATOM 379 C CYS A 27 -3.959 -16.781 7.054 1.00 0.00 C ATOM 380 O CYS A 27 -4.005 -17.790 7.756 1.00 0.00 O ATOM 381 CB CYS A 27 -2.765 -16.251 4.881 1.00 0.00 C ATOM 382 SG CYS A 27 -2.764 -16.269 3.051 1.00 0.00 S ATOM 0 H CYS A 27 -5.104 -15.433 4.518 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.965 -17.945 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.692 -15.218 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.873 -16.767 5.236 1.00 0.00 H new ATOM 387 N ALA A 28 -3.878 -15.544 7.522 1.00 0.00 N ATOM 388 CA ALA A 28 -3.838 -15.286 8.951 1.00 0.00 C ATOM 389 C ALA A 28 -4.826 -16.214 9.661 1.00 0.00 C ATOM 390 O ALA A 28 -4.469 -16.880 10.631 1.00 0.00 O ATOM 391 CB ALA A 28 -4.135 -13.808 9.212 1.00 0.00 C ATOM 0 H ALA A 28 -3.839 -14.710 6.937 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.845 -15.494 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.105 -13.615 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.387 -13.193 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.125 -13.562 8.827 1.00 0.00 H new ATOM 397 N GLU A 29 -6.048 -16.227 9.149 1.00 0.00 N ATOM 398 CA GLU A 29 -7.090 -17.062 9.722 1.00 0.00 C ATOM 399 C GLU A 29 -6.600 -18.506 9.854 1.00 0.00 C ATOM 400 O GLU A 29 -6.622 -19.075 10.945 1.00 0.00 O ATOM 401 CB GLU A 29 -8.370 -16.992 8.887 1.00 0.00 C ATOM 402 CG GLU A 29 -9.235 -15.803 9.308 1.00 0.00 C ATOM 403 CD GLU A 29 -9.695 -15.947 10.761 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.266 -17.014 11.072 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.464 -14.986 11.527 1.00 0.00 O ATOM 0 H GLU A 29 -6.340 -15.673 8.344 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.324 -16.685 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.115 -16.905 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.935 -17.917 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.670 -14.878 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.103 -15.730 8.653 1.00 0.00 H new ATOM 412 N SER A 30 -6.170 -19.057 8.729 1.00 0.00 N ATOM 413 CA SER A 30 -5.676 -20.423 8.706 1.00 0.00 C ATOM 414 C SER A 30 -4.422 -20.541 9.574 1.00 0.00 C ATOM 415 O SER A 30 -4.134 -21.608 10.113 1.00 0.00 O ATOM 416 CB SER A 30 -5.375 -20.876 7.275 1.00 0.00 C ATOM 417 OG SER A 30 -6.138 -22.021 6.907 1.00 0.00 O ATOM 0 H SER A 30 -6.153 -18.582 7.826 1.00 0.00 H new ATOM 0 HA SER A 30 -6.452 -21.074 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.588 -20.061 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.313 -21.103 7.182 1.00 0.00 H new ATOM 0 HG SER A 30 -5.919 -22.278 5.987 1.00 0.00 H new ATOM 423 N CYS A 31 -3.710 -19.429 9.684 1.00 0.00 N ATOM 424 CA CYS A 31 -2.494 -19.394 10.478 1.00 0.00 C ATOM 425 C CYS A 31 -2.782 -18.617 11.764 1.00 0.00 C ATOM 426 O CYS A 31 -2.077 -17.663 12.088 1.00 0.00 O ATOM 427 CB CYS A 31 -1.325 -18.790 9.696 1.00 0.00 C ATOM 428 SG CYS A 31 -0.909 -19.662 8.142 1.00 0.00 S ATOM 0 H CYS A 31 -3.952 -18.545 9.236 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.191 -20.411 10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.561 -17.752 9.462 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.444 -18.780 10.337 1.00 0.00 H new ATOM 433 N GLU A 32 -3.820 -19.055 12.462 1.00 0.00 N ATOM 434 CA GLU A 32 -4.210 -18.413 13.706 1.00 0.00 C ATOM 435 C GLU A 32 -3.319 -18.894 14.853 1.00 0.00 C ATOM 436 O GLU A 32 -2.742 -18.084 15.577 1.00 0.00 O ATOM 437 CB GLU A 32 -5.687 -18.667 14.014 1.00 0.00 C ATOM 438 CG GLU A 32 -6.506 -17.383 13.870 1.00 0.00 C ATOM 439 CD GLU A 32 -6.295 -16.460 15.072 1.00 0.00 C ATOM 440 OE1 GLU A 32 -6.692 -16.875 16.182 1.00 0.00 O ATOM 441 OE2 GLU A 32 -5.743 -15.360 14.853 1.00 0.00 O ATOM 0 H GLU A 32 -4.403 -19.847 12.190 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.076 -17.337 13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.077 -19.429 13.339 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.789 -19.056 15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.219 -16.865 12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.564 -17.630 13.778 1.00 0.00 H new ATOM 448 N THR A 33 -3.237 -20.210 14.984 1.00 0.00 N ATOM 449 CA THR A 33 -2.426 -20.808 16.032 1.00 0.00 C ATOM 450 C THR A 33 -1.352 -21.712 15.424 1.00 0.00 C ATOM 451 O THR A 33 -1.295 -22.903 15.726 1.00 0.00 O ATOM 452 CB THR A 33 -3.364 -21.540 16.994 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.787 -22.687 16.262 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.657 -20.765 17.255 1.00 0.00 C ATOM 0 H THR A 33 -3.718 -20.879 14.383 1.00 0.00 H new ATOM 0 HA THR A 33 -1.885 -20.049 16.597 1.00 0.00 H new ATOM 0 HB THR A 33 -2.850 -21.715 17.939 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.026 -23.290 16.130 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.286 -21.329 17.944 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.418 -19.796 17.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.189 -20.618 16.315 1.00 0.00 H new ATOM 462 N SER A 34 -0.527 -21.112 14.579 1.00 0.00 N ATOM 463 CA SER A 34 0.542 -21.848 13.926 1.00 0.00 C ATOM 464 C SER A 34 1.877 -21.550 14.612 1.00 0.00 C ATOM 465 O SER A 34 2.061 -20.474 15.178 1.00 0.00 O ATOM 466 CB SER A 34 0.621 -21.501 12.438 1.00 0.00 C ATOM 467 OG SER A 34 0.558 -22.663 11.615 1.00 0.00 O ATOM 0 H SER A 34 -0.577 -20.124 14.331 1.00 0.00 H new ATOM 0 HA SER A 34 0.326 -22.913 14.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.196 -20.828 12.179 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.550 -20.966 12.239 1.00 0.00 H new ATOM 0 HG SER A 34 0.575 -22.397 10.672 1.00 0.00 H new ATOM 473 N ALA A 35 2.773 -22.523 14.539 1.00 0.00 N ATOM 474 CA ALA A 35 4.085 -22.379 15.146 1.00 0.00 C ATOM 475 C ALA A 35 4.644 -20.993 14.818 1.00 0.00 C ATOM 476 O ALA A 35 4.804 -20.158 15.707 1.00 0.00 O ATOM 477 CB ALA A 35 4.999 -23.506 14.660 1.00 0.00 C ATOM 0 H ALA A 35 2.616 -23.414 14.069 1.00 0.00 H new ATOM 0 HA ALA A 35 4.017 -22.459 16.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.983 -23.398 15.115 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.572 -24.468 14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.094 -23.456 13.575 1.00 0.00 H new ATOM 483 N ASP A 36 4.927 -20.790 13.540 1.00 0.00 N ATOM 484 CA ASP A 36 5.464 -19.520 13.084 1.00 0.00 C ATOM 485 C ASP A 36 4.415 -18.803 12.233 1.00 0.00 C ATOM 486 O ASP A 36 4.303 -19.055 11.034 1.00 0.00 O ATOM 487 CB ASP A 36 6.711 -19.727 12.221 1.00 0.00 C ATOM 488 CG ASP A 36 7.944 -20.227 12.977 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.071 -19.856 14.164 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.732 -20.968 12.350 1.00 0.00 O ATOM 0 H ASP A 36 4.794 -21.485 12.805 1.00 0.00 H new ATOM 0 HA ASP A 36 5.727 -18.931 13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.474 -20.440 11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.959 -18.783 11.735 1.00 0.00 H new ATOM 495 N LYS A 37 3.671 -17.922 12.886 1.00 0.00 N ATOM 496 CA LYS A 37 2.634 -17.166 12.204 1.00 0.00 C ATOM 497 C LYS A 37 3.265 -16.337 11.084 1.00 0.00 C ATOM 498 O LYS A 37 2.826 -16.401 9.937 1.00 0.00 O ATOM 499 CB LYS A 37 1.830 -16.335 13.206 1.00 0.00 C ATOM 500 CG LYS A 37 0.394 -16.850 13.319 1.00 0.00 C ATOM 501 CD LYS A 37 -0.552 -15.739 13.779 1.00 0.00 C ATOM 502 CE LYS A 37 -0.915 -15.904 15.256 1.00 0.00 C ATOM 503 NZ LYS A 37 -0.321 -14.813 16.061 1.00 0.00 N ATOM 0 H LYS A 37 3.766 -17.715 13.880 1.00 0.00 H new ATOM 0 HA LYS A 37 1.917 -17.840 11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.311 -16.372 14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.822 -15.291 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.065 -17.236 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.356 -17.680 14.024 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.082 -14.768 13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.459 -15.755 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.999 -15.901 15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.558 -16.868 15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.577 -14.940 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.714 -14.834 15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.682 -13.897 15.725 1.00 0.00 H new ATOM 517 N LYS A 38 4.287 -15.579 11.456 1.00 0.00 N ATOM 518 CA LYS A 38 4.983 -14.739 10.497 1.00 0.00 C ATOM 519 C LYS A 38 5.298 -15.557 9.243 1.00 0.00 C ATOM 520 O LYS A 38 4.881 -15.199 8.143 1.00 0.00 O ATOM 521 CB LYS A 38 6.216 -14.100 11.140 1.00 0.00 C ATOM 522 CG LYS A 38 6.041 -12.586 11.274 1.00 0.00 C ATOM 523 CD LYS A 38 6.646 -12.078 12.585 1.00 0.00 C ATOM 524 CE LYS A 38 5.612 -12.108 13.713 1.00 0.00 C ATOM 525 NZ LYS A 38 6.219 -12.630 14.957 1.00 0.00 N ATOM 0 H LYS A 38 4.649 -15.530 12.408 1.00 0.00 H new ATOM 0 HA LYS A 38 4.348 -13.910 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.386 -14.539 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.098 -14.316 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.518 -12.085 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.981 -12.334 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.504 -12.693 12.856 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.013 -11.061 12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.223 -11.104 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.767 -12.733 13.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.505 -12.644 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.569 -13.596 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.011 -12.018 15.240 1.00 0.00 H new ATOM 539 N THR A 39 6.032 -16.641 9.451 1.00 0.00 N ATOM 540 CA THR A 39 6.408 -17.513 8.351 1.00 0.00 C ATOM 541 C THR A 39 5.160 -18.041 7.639 1.00 0.00 C ATOM 542 O THR A 39 5.030 -17.904 6.424 1.00 0.00 O ATOM 543 CB THR A 39 7.303 -18.620 8.910 1.00 0.00 C ATOM 544 OG1 THR A 39 8.379 -17.918 9.527 1.00 0.00 O ATOM 545 CG2 THR A 39 7.976 -19.441 7.808 1.00 0.00 C ATOM 0 H THR A 39 6.376 -16.935 10.365 1.00 0.00 H new ATOM 0 HA THR A 39 6.973 -16.972 7.592 1.00 0.00 H new ATOM 0 HB THR A 39 6.711 -19.280 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.007 -18.561 9.918 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.600 -20.213 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.213 -19.909 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.595 -18.787 7.194 1.00 0.00 H new ATOM 553 N CYS A 40 4.275 -18.634 8.427 1.00 0.00 N ATOM 554 CA CYS A 40 3.043 -19.183 7.887 1.00 0.00 C ATOM 555 C CYS A 40 2.462 -18.175 6.894 1.00 0.00 C ATOM 556 O CYS A 40 2.339 -18.470 5.706 1.00 0.00 O ATOM 557 CB CYS A 40 2.047 -19.533 8.995 1.00 0.00 C ATOM 558 SG CYS A 40 0.746 -20.724 8.509 1.00 0.00 S ATOM 0 H CYS A 40 4.387 -18.746 9.435 1.00 0.00 H new ATOM 0 HA CYS A 40 3.255 -20.119 7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.597 -19.943 9.842 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.570 -18.615 9.338 1.00 0.00 H new ATOM 563 N ARG A 41 2.120 -17.007 7.417 1.00 0.00 N ATOM 564 CA ARG A 41 1.555 -15.954 6.590 1.00 0.00 C ATOM 565 C ARG A 41 2.485 -15.645 5.415 1.00 0.00 C ATOM 566 O ARG A 41 2.041 -15.572 4.270 1.00 0.00 O ATOM 567 CB ARG A 41 1.330 -14.677 7.403 1.00 0.00 C ATOM 568 CG ARG A 41 0.223 -14.877 8.441 1.00 0.00 C ATOM 569 CD ARG A 41 -0.671 -13.639 8.534 1.00 0.00 C ATOM 570 NE ARG A 41 -0.645 -13.098 9.912 1.00 0.00 N ATOM 571 CZ ARG A 41 0.435 -12.545 10.481 1.00 0.00 C ATOM 572 NH1 ARG A 41 1.583 -12.455 9.796 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.366 -12.080 11.737 1.00 0.00 N ATOM 0 H ARG A 41 2.223 -16.766 8.403 1.00 0.00 H new ATOM 0 HA ARG A 41 0.594 -16.306 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.256 -14.392 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.064 -13.858 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.379 -15.745 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.666 -15.084 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.330 -12.880 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.693 -13.896 8.255 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.502 -13.149 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.636 -12.808 8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.404 -12.034 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.508 -12.147 12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.188 -11.659 12.171 1.00 0.00 H new ATOM 587 N ARG A 42 3.758 -15.470 5.739 1.00 0.00 N ATOM 588 CA ARG A 42 4.754 -15.171 4.725 1.00 0.00 C ATOM 589 C ARG A 42 4.638 -16.155 3.560 1.00 0.00 C ATOM 590 O ARG A 42 4.537 -15.746 2.404 1.00 0.00 O ATOM 591 CB ARG A 42 6.168 -15.241 5.304 1.00 0.00 C ATOM 592 CG ARG A 42 6.840 -13.867 5.279 1.00 0.00 C ATOM 593 CD ARG A 42 6.573 -13.102 6.578 1.00 0.00 C ATOM 594 NE ARG A 42 7.404 -11.878 6.624 1.00 0.00 N ATOM 595 CZ ARG A 42 8.690 -11.857 6.999 1.00 0.00 C ATOM 596 NH1 ARG A 42 9.301 -12.992 7.363 1.00 0.00 N ATOM 597 NH2 ARG A 42 9.365 -10.699 7.011 1.00 0.00 N ATOM 0 H ARG A 42 4.122 -15.530 6.690 1.00 0.00 H new ATOM 0 HA ARG A 42 4.570 -14.158 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.127 -15.611 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.764 -15.952 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.914 -13.986 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.468 -13.292 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.518 -12.838 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.797 -13.736 7.436 1.00 0.00 H new ATOM 0 HE ARG A 42 6.970 -10.995 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.787 -13.873 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.280 -12.975 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.900 -9.834 6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.344 -10.682 7.296 1.00 0.00 H new ATOM 611 N ASN A 43 4.656 -17.435 3.903 1.00 0.00 N ATOM 612 CA ASN A 43 4.554 -18.481 2.900 1.00 0.00 C ATOM 613 C ASN A 43 3.240 -18.319 2.133 1.00 0.00 C ATOM 614 O ASN A 43 3.222 -18.386 0.905 1.00 0.00 O ATOM 615 CB ASN A 43 4.555 -19.867 3.548 1.00 0.00 C ATOM 616 CG ASN A 43 5.880 -20.589 3.294 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.761 -20.101 2.606 1.00 0.00 O ATOM 618 ND2 ASN A 43 5.971 -21.776 3.887 1.00 0.00 N ATOM 0 H ASN A 43 4.740 -17.771 4.862 1.00 0.00 H new ATOM 0 HA ASN A 43 5.412 -18.394 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.389 -19.771 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.731 -20.459 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.816 -22.337 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.196 -22.126 4.450 1.00 0.00 H new ATOM 625 N CYS A 44 2.172 -18.108 2.888 1.00 0.00 N ATOM 626 CA CYS A 44 0.857 -17.936 2.294 1.00 0.00 C ATOM 627 C CYS A 44 0.887 -16.684 1.416 1.00 0.00 C ATOM 628 O CYS A 44 0.123 -16.575 0.458 1.00 0.00 O ATOM 629 CB CYS A 44 -0.239 -17.860 3.359 1.00 0.00 C ATOM 630 SG CYS A 44 -1.932 -18.177 2.741 1.00 0.00 S ATOM 0 H CYS A 44 2.190 -18.052 3.906 1.00 0.00 H new ATOM 0 HA CYS A 44 0.616 -18.804 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.013 -18.581 4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.214 -16.871 3.817 1.00 0.00 H new ATOM 635 N LYS A 45 1.778 -15.770 1.773 1.00 0.00 N ATOM 636 CA LYS A 45 1.917 -14.530 1.029 1.00 0.00 C ATOM 637 C LYS A 45 2.485 -14.834 -0.359 1.00 0.00 C ATOM 638 O LYS A 45 2.121 -14.185 -1.338 1.00 0.00 O ATOM 639 CB LYS A 45 2.745 -13.518 1.824 1.00 0.00 C ATOM 640 CG LYS A 45 2.014 -12.178 1.936 1.00 0.00 C ATOM 641 CD LYS A 45 2.999 -11.010 1.867 1.00 0.00 C ATOM 642 CE LYS A 45 3.079 -10.281 3.210 1.00 0.00 C ATOM 643 NZ LYS A 45 3.755 -11.126 4.220 1.00 0.00 N ATOM 0 H LYS A 45 2.411 -15.864 2.568 1.00 0.00 H new ATOM 0 HA LYS A 45 0.943 -14.064 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.947 -13.911 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.710 -13.371 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.283 -12.090 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.462 -12.138 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.987 -11.378 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.688 -10.313 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.622 -9.344 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.076 -10.027 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.801 -10.616 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.221 -12.009 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.719 -11.347 3.898 1.00 0.00 H new ATOM 657 N LYS A 46 3.368 -15.821 -0.399 1.00 0.00 N ATOM 658 CA LYS A 46 3.989 -16.218 -1.650 1.00 0.00 C ATOM 659 C LYS A 46 3.168 -17.341 -2.289 1.00 0.00 C ATOM 660 O LYS A 46 3.431 -17.739 -3.422 1.00 0.00 O ATOM 661 CB LYS A 46 5.459 -16.582 -1.427 1.00 0.00 C ATOM 662 CG LYS A 46 6.283 -15.342 -1.073 1.00 0.00 C ATOM 663 CD LYS A 46 6.942 -14.748 -2.319 1.00 0.00 C ATOM 664 CE LYS A 46 8.445 -14.556 -2.106 1.00 0.00 C ATOM 665 NZ LYS A 46 8.697 -13.423 -1.189 1.00 0.00 N ATOM 0 H LYS A 46 3.668 -16.357 0.415 1.00 0.00 H new ATOM 0 HA LYS A 46 3.993 -15.385 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.538 -17.317 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.863 -17.047 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.641 -14.595 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.048 -15.606 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.773 -15.405 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.480 -13.790 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.880 -15.467 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.934 -14.373 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.722 -13.306 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.299 -12.552 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.247 -13.613 -0.271 1.00 0.00 H new ATOM 679 N ALA A 47 2.190 -17.818 -1.533 1.00 0.00 N ATOM 680 CA ALA A 47 1.329 -18.887 -2.011 1.00 0.00 C ATOM 681 C ALA A 47 0.514 -18.384 -3.204 1.00 0.00 C ATOM 682 O ALA A 47 0.608 -18.934 -4.300 1.00 0.00 O ATOM 683 CB ALA A 47 0.442 -19.379 -0.865 1.00 0.00 C ATOM 0 H ALA A 47 1.975 -17.484 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 47 1.923 -19.735 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.204 -20.181 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.068 -19.752 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.171 -18.555 -0.500 1.00 0.00 H new ATOM 689 N ASP A 48 -0.267 -17.344 -2.950 1.00 0.00 N ATOM 690 CA ASP A 48 -1.098 -16.761 -3.990 1.00 0.00 C ATOM 691 C ASP A 48 -1.504 -15.345 -3.578 1.00 0.00 C ATOM 692 O ASP A 48 -2.685 -15.001 -3.604 1.00 0.00 O ATOM 693 CB ASP A 48 -2.375 -17.578 -4.197 1.00 0.00 C ATOM 694 CG ASP A 48 -2.983 -17.484 -5.598 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.383 -16.769 -6.430 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.033 -18.130 -5.806 1.00 0.00 O ATOM 0 H ASP A 48 -0.342 -16.890 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.523 -16.751 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.158 -18.624 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.120 -17.250 -3.471 1.00 0.00 H new ATOM 701 N CYS A 49 -0.502 -14.561 -3.207 1.00 0.00 N ATOM 702 CA CYS A 49 -0.740 -13.190 -2.790 1.00 0.00 C ATOM 703 C CYS A 49 0.502 -12.363 -3.126 1.00 0.00 C ATOM 704 O CYS A 49 0.781 -11.359 -2.471 1.00 0.00 O ATOM 705 CB CYS A 49 -1.099 -13.104 -1.305 1.00 0.00 C ATOM 706 SG CYS A 49 -1.961 -14.574 -0.637 1.00 0.00 S ATOM 0 H CYS A 49 0.476 -14.849 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.599 -12.788 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.185 -12.945 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.729 -12.228 -1.148 1.00 0.00 H new ATOM 711 N GLU A 50 1.217 -12.815 -4.146 1.00 0.00 N ATOM 712 CA GLU A 50 2.423 -12.129 -4.577 1.00 0.00 C ATOM 713 C GLU A 50 2.065 -10.891 -5.401 1.00 0.00 C ATOM 714 O GLU A 50 2.572 -9.801 -5.143 1.00 0.00 O ATOM 715 CB GLU A 50 3.336 -13.070 -5.367 1.00 0.00 C ATOM 716 CG GLU A 50 4.501 -13.557 -4.504 1.00 0.00 C ATOM 717 CD GLU A 50 5.631 -12.525 -4.475 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.404 -11.452 -3.875 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.695 -12.832 -5.054 1.00 0.00 O ATOM 0 H GLU A 50 0.984 -13.648 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 50 2.969 -11.805 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.761 -13.925 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.721 -12.555 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.152 -13.748 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.877 -14.503 -4.895 1.00 0.00 H new ATOM 726 N PRO A 51 1.171 -11.107 -6.403 1.00 0.00 N ATOM 727 CA PRO A 51 0.739 -10.022 -7.268 1.00 0.00 C ATOM 728 C PRO A 51 -0.244 -9.101 -6.542 1.00 0.00 C ATOM 729 O PRO A 51 -0.341 -7.917 -6.859 1.00 0.00 O ATOM 730 CB PRO A 51 0.129 -10.704 -8.481 1.00 0.00 C ATOM 731 CG PRO A 51 -0.179 -12.128 -8.047 1.00 0.00 C ATOM 732 CD PRO A 51 0.550 -12.385 -6.739 1.00 0.00 C ATOM 0 HA PRO A 51 1.560 -9.370 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.776 -10.190 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.820 -10.693 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.253 -12.264 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.143 -12.837 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.139 -12.708 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.297 -13.171 -6.850 1.00 0.00 H new ATOM 740 N GLN A 52 -0.949 -9.681 -5.581 1.00 0.00 N ATOM 741 CA GLN A 52 -1.921 -8.927 -4.808 1.00 0.00 C ATOM 742 C GLN A 52 -1.210 -7.973 -3.846 1.00 0.00 C ATOM 743 O GLN A 52 -1.485 -6.775 -3.838 1.00 0.00 O ATOM 744 CB GLN A 52 -2.865 -9.864 -4.052 1.00 0.00 C ATOM 745 CG GLN A 52 -3.383 -10.976 -4.967 1.00 0.00 C ATOM 746 CD GLN A 52 -4.422 -11.839 -4.248 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.792 -11.592 -3.112 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.870 -12.861 -4.971 1.00 0.00 N ATOM 0 H GLN A 52 -0.866 -10.664 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.523 -8.335 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.344 -10.302 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.705 -9.295 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.825 -10.539 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.551 -11.599 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.518 -13.010 -5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.566 -13.496 -4.580 1.00 0.00 H new ATOM 757 N ASP A 53 -0.308 -8.541 -3.059 1.00 0.00 N ATOM 758 CA ASP A 53 0.445 -7.756 -2.095 1.00 0.00 C ATOM 759 C ASP A 53 1.136 -6.597 -2.817 1.00 0.00 C ATOM 760 O ASP A 53 1.328 -5.528 -2.240 1.00 0.00 O ATOM 761 CB ASP A 53 1.524 -8.603 -1.418 1.00 0.00 C ATOM 762 CG ASP A 53 2.068 -8.030 -0.107 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.316 -8.082 0.890 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.223 -7.553 -0.132 1.00 0.00 O ATOM 0 H ASP A 53 -0.082 -9.535 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.251 -7.389 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.116 -9.595 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.354 -8.731 -2.113 1.00 0.00 H new ATOM 769 N LYS A 54 1.492 -6.849 -4.068 1.00 0.00 N ATOM 770 CA LYS A 54 2.157 -5.841 -4.875 1.00 0.00 C ATOM 771 C LYS A 54 1.174 -4.710 -5.183 1.00 0.00 C ATOM 772 O LYS A 54 1.424 -3.555 -4.842 1.00 0.00 O ATOM 773 CB LYS A 54 2.776 -6.475 -6.122 1.00 0.00 C ATOM 774 CG LYS A 54 4.093 -7.177 -5.784 1.00 0.00 C ATOM 775 CD LYS A 54 4.824 -7.613 -7.056 1.00 0.00 C ATOM 776 CE LYS A 54 6.178 -6.912 -7.177 1.00 0.00 C ATOM 777 NZ LYS A 54 6.901 -7.386 -8.379 1.00 0.00 N ATOM 0 H LYS A 54 1.332 -7.738 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 54 2.988 -5.400 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.078 -7.192 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.952 -5.707 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.729 -6.506 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.895 -8.047 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.969 -8.693 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.212 -7.383 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.032 -5.833 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.775 -7.105 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.818 -6.900 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.057 -8.412 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.337 -7.179 -9.228 1.00 0.00 H new ATOM 791 N VAL A 55 0.077 -5.082 -5.825 1.00 0.00 N ATOM 792 CA VAL A 55 -0.945 -4.113 -6.184 1.00 0.00 C ATOM 793 C VAL A 55 -1.134 -3.126 -5.030 1.00 0.00 C ATOM 794 O VAL A 55 -0.903 -1.928 -5.189 1.00 0.00 O ATOM 795 CB VAL A 55 -2.238 -4.835 -6.570 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.363 -3.835 -6.844 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.015 -5.753 -7.773 1.00 0.00 C ATOM 0 H VAL A 55 -0.127 -6.041 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.636 -3.538 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.540 -5.456 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.271 -4.374 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.548 -3.241 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.073 -3.176 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.949 -6.254 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.678 -5.162 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.259 -6.498 -7.527 1.00 0.00 H new ATOM 807 N CYS A 56 -1.550 -3.666 -3.894 1.00 0.00 N ATOM 808 CA CYS A 56 -1.772 -2.848 -2.713 1.00 0.00 C ATOM 809 C CYS A 56 -0.632 -1.832 -2.612 1.00 0.00 C ATOM 810 O CYS A 56 -0.874 -0.634 -2.479 1.00 0.00 O ATOM 811 CB CYS A 56 -1.892 -3.700 -1.448 1.00 0.00 C ATOM 812 SG CYS A 56 -2.631 -2.842 -0.011 1.00 0.00 S ATOM 0 H CYS A 56 -1.739 -4.660 -3.766 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.721 -2.320 -2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.493 -4.580 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.899 -4.055 -1.170 1.00 0.00 H new ATOM 817 N ASP A 57 0.586 -2.350 -2.678 1.00 0.00 N ATOM 818 CA ASP A 57 1.764 -1.503 -2.595 1.00 0.00 C ATOM 819 C ASP A 57 1.619 -0.338 -3.576 1.00 0.00 C ATOM 820 O ASP A 57 1.723 0.824 -3.185 1.00 0.00 O ATOM 821 CB ASP A 57 3.028 -2.280 -2.967 1.00 0.00 C ATOM 822 CG ASP A 57 4.281 -1.893 -2.178 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.243 -2.052 -0.939 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.248 -1.447 -2.833 1.00 0.00 O ATOM 0 H ASP A 57 0.782 -3.345 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 57 1.850 -1.144 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.839 -3.343 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.226 -2.135 -4.029 1.00 0.00 H new ATOM 829 N ALA A 58 1.381 -0.689 -4.831 1.00 0.00 N ATOM 830 CA ALA A 58 1.221 0.313 -5.871 1.00 0.00 C ATOM 831 C ALA A 58 0.299 1.425 -5.365 1.00 0.00 C ATOM 832 O ALA A 58 0.652 2.602 -5.421 1.00 0.00 O ATOM 833 CB ALA A 58 0.690 -0.351 -7.143 1.00 0.00 C ATOM 0 H ALA A 58 1.295 -1.654 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 58 2.181 0.767 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.570 0.401 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.395 -1.112 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.274 -0.816 -6.936 1.00 0.00 H new ATOM 839 N CYS A 59 -0.863 1.011 -4.883 1.00 0.00 N ATOM 840 CA CYS A 59 -1.838 1.957 -4.367 1.00 0.00 C ATOM 841 C CYS A 59 -1.149 2.836 -3.322 1.00 0.00 C ATOM 842 O CYS A 59 -1.066 4.052 -3.485 1.00 0.00 O ATOM 843 CB CYS A 59 -3.068 1.248 -3.796 1.00 0.00 C ATOM 844 SG CYS A 59 -4.509 2.334 -3.494 1.00 0.00 S ATOM 0 H CYS A 59 -1.152 0.034 -4.839 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.206 2.583 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.365 0.456 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.790 0.768 -2.858 1.00 0.00 H new ATOM 849 N ARG A 60 -0.672 2.186 -2.270 1.00 0.00 N ATOM 850 CA ARG A 60 0.007 2.892 -1.198 1.00 0.00 C ATOM 851 C ARG A 60 1.131 3.763 -1.765 1.00 0.00 C ATOM 852 O ARG A 60 1.478 4.790 -1.184 1.00 0.00 O ATOM 853 CB ARG A 60 0.594 1.914 -0.179 1.00 0.00 C ATOM 854 CG ARG A 60 -0.515 1.192 0.589 1.00 0.00 C ATOM 855 CD ARG A 60 -0.111 0.959 2.046 1.00 0.00 C ATOM 856 NE ARG A 60 -0.913 -0.143 2.624 1.00 0.00 N ATOM 857 CZ ARG A 60 -0.671 -1.443 2.405 1.00 0.00 C ATOM 858 NH1 ARG A 60 0.350 -1.812 1.620 1.00 0.00 N ATOM 859 NH2 ARG A 60 -1.451 -2.374 2.970 1.00 0.00 N ATOM 0 H ARG A 60 -0.743 1.177 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.729 3.522 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.222 1.184 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.234 2.452 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.431 1.781 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.731 0.237 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.950 0.716 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.261 1.871 2.624 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.699 0.102 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.944 -1.104 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.534 -2.801 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.229 -2.094 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.267 -3.363 2.803 1.00 0.00 H new ATOM 873 N MET A 61 1.669 3.319 -2.892 1.00 0.00 N ATOM 874 CA MET A 61 2.746 4.045 -3.543 1.00 0.00 C ATOM 875 C MET A 61 2.202 5.225 -4.350 1.00 0.00 C ATOM 876 O MET A 61 2.845 6.271 -4.437 1.00 0.00 O ATOM 877 CB MET A 61 3.510 3.099 -4.472 1.00 0.00 C ATOM 878 CG MET A 61 4.335 3.883 -5.495 1.00 0.00 C ATOM 879 SD MET A 61 5.963 3.167 -5.643 1.00 0.00 S ATOM 880 CE MET A 61 5.658 1.967 -6.928 1.00 0.00 C ATOM 0 H MET A 61 1.379 2.466 -3.370 1.00 0.00 H new ATOM 0 HA MET A 61 3.415 4.433 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.167 2.458 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.807 2.446 -4.990 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.835 3.872 -6.463 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.414 4.926 -5.188 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.579 1.426 -7.146 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.894 1.264 -6.596 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.315 2.477 -7.828 1.00 0.00 H new ATOM 890 N LYS A 62 1.024 5.019 -4.919 1.00 0.00 N ATOM 891 CA LYS A 62 0.387 6.054 -5.716 1.00 0.00 C ATOM 892 C LYS A 62 -0.169 7.136 -4.788 1.00 0.00 C ATOM 893 O LYS A 62 0.261 8.288 -4.845 1.00 0.00 O ATOM 894 CB LYS A 62 -0.663 5.443 -6.646 1.00 0.00 C ATOM 895 CG LYS A 62 -0.043 4.372 -7.546 1.00 0.00 C ATOM 896 CD LYS A 62 0.159 4.900 -8.968 1.00 0.00 C ATOM 897 CE LYS A 62 1.350 4.217 -9.642 1.00 0.00 C ATOM 898 NZ LYS A 62 0.899 3.049 -10.432 1.00 0.00 N ATOM 0 H LYS A 62 0.494 4.151 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 62 1.116 6.536 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.467 5.005 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.109 6.225 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.914 4.054 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.688 3.493 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.743 4.728 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.321 5.978 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.864 4.926 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.068 3.897 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.720 2.597 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.429 2.366 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.231 3.363 -11.165 1.00 0.00 H new ATOM 912 N CYS A 63 -1.115 6.729 -3.956 1.00 0.00 N ATOM 913 CA CYS A 63 -1.734 7.650 -3.017 1.00 0.00 C ATOM 914 C CYS A 63 -0.631 8.492 -2.373 1.00 0.00 C ATOM 915 O CYS A 63 -0.806 9.690 -2.157 1.00 0.00 O ATOM 916 CB CYS A 63 -2.573 6.913 -1.972 1.00 0.00 C ATOM 917 SG CYS A 63 -3.570 7.997 -0.886 1.00 0.00 S ATOM 0 H CYS A 63 -1.469 5.773 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.426 8.304 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.242 6.222 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.909 6.312 -1.351 1.00 0.00 H new ATOM 922 N HIS A 64 0.482 7.833 -2.086 1.00 0.00 N ATOM 923 CA HIS A 64 1.613 8.506 -1.471 1.00 0.00 C ATOM 924 C HIS A 64 1.998 9.729 -2.305 1.00 0.00 C ATOM 925 O HIS A 64 2.068 10.842 -1.787 1.00 0.00 O ATOM 926 CB HIS A 64 2.779 7.536 -1.269 1.00 0.00 C ATOM 927 CG HIS A 64 4.140 8.178 -1.389 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.246 7.504 -1.878 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.562 9.437 -1.081 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.281 8.330 -1.860 1.00 0.00 C ATOM 931 NE2 HIS A 64 5.856 9.528 -1.365 1.00 0.00 N ATOM 0 H HIS A 64 0.625 6.840 -2.268 1.00 0.00 H new ATOM 0 HA HIS A 64 1.334 8.859 -0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.690 7.078 -0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.701 6.733 -2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.948 10.227 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.285 8.096 -2.181 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.436 10.357 -1.235 1.00 0.00 H new ATOM 939 N LYS A 65 2.237 9.481 -3.585 1.00 0.00 N ATOM 940 CA LYS A 65 2.613 10.548 -4.496 1.00 0.00 C ATOM 941 C LYS A 65 1.395 11.432 -4.770 1.00 0.00 C ATOM 942 O LYS A 65 1.487 12.658 -4.710 1.00 0.00 O ATOM 943 CB LYS A 65 3.251 9.972 -5.762 1.00 0.00 C ATOM 944 CG LYS A 65 2.993 10.878 -6.968 1.00 0.00 C ATOM 945 CD LYS A 65 3.600 10.283 -8.240 1.00 0.00 C ATOM 946 CE LYS A 65 4.721 11.173 -8.781 1.00 0.00 C ATOM 947 NZ LYS A 65 4.160 12.278 -9.590 1.00 0.00 N ATOM 0 H LYS A 65 2.177 8.557 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 65 3.374 11.184 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.325 9.857 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.848 8.978 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.920 11.014 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.419 11.864 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.991 9.287 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.825 10.168 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.303 11.579 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.404 10.579 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.934 12.873 -9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.625 11.885 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.527 12.854 -8.999 1.00 0.00 H new ATOM 961 N ALA A 66 0.282 10.777 -5.064 1.00 0.00 N ATOM 962 CA ALA A 66 -0.953 11.488 -5.346 1.00 0.00 C ATOM 963 C ALA A 66 -1.224 12.495 -4.227 1.00 0.00 C ATOM 964 O ALA A 66 -1.309 13.697 -4.476 1.00 0.00 O ATOM 965 CB ALA A 66 -2.094 10.483 -5.515 1.00 0.00 C ATOM 0 H ALA A 66 0.210 9.761 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.870 12.046 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.021 11.017 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.866 9.810 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.209 9.906 -4.598 1.00 0.00 H new ATOM 971 N CYS A 67 -1.352 11.969 -3.018 1.00 0.00 N ATOM 972 CA CYS A 67 -1.612 12.807 -1.860 1.00 0.00 C ATOM 973 C CYS A 67 -0.650 13.996 -1.903 1.00 0.00 C ATOM 974 O CYS A 67 -1.067 15.142 -1.741 1.00 0.00 O ATOM 975 CB CYS A 67 -1.490 12.020 -0.554 1.00 0.00 C ATOM 976 SG CYS A 67 -2.221 12.843 0.909 1.00 0.00 S ATOM 0 H CYS A 67 -1.280 10.972 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.639 13.171 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.969 11.050 -0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.435 11.831 -0.357 1.00 0.00 H new ATOM 981 N ARG A 68 0.618 13.682 -2.121 1.00 0.00 N ATOM 982 CA ARG A 68 1.643 14.711 -2.187 1.00 0.00 C ATOM 983 C ARG A 68 1.291 15.742 -3.262 1.00 0.00 C ATOM 984 O ARG A 68 1.355 16.946 -3.016 1.00 0.00 O ATOM 985 CB ARG A 68 3.012 14.105 -2.501 1.00 0.00 C ATOM 986 CG ARG A 68 4.116 15.160 -2.395 1.00 0.00 C ATOM 987 CD ARG A 68 5.471 14.578 -2.804 1.00 0.00 C ATOM 988 NE ARG A 68 5.687 14.771 -4.255 1.00 0.00 N ATOM 989 CZ ARG A 68 6.860 14.576 -4.872 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.930 14.181 -4.169 1.00 0.00 N ATOM 991 NH2 ARG A 68 6.964 14.776 -6.193 1.00 0.00 N ATOM 0 H ARG A 68 0.960 12.730 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 68 1.688 15.197 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.218 13.287 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.004 13.681 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.874 16.010 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.170 15.534 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.269 15.063 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.509 13.516 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 68 4.893 15.071 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.852 14.029 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.823 14.033 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.150 15.077 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.857 14.627 -6.663 1.00 0.00 H new ATOM 1005 N ALA A 69 0.928 15.233 -4.429 1.00 0.00 N ATOM 1006 CA ALA A 69 0.566 16.094 -5.542 1.00 0.00 C ATOM 1007 C ALA A 69 -0.868 16.592 -5.351 1.00 0.00 C ATOM 1008 O ALA A 69 -1.412 17.275 -6.217 1.00 0.00 O ATOM 1009 CB ALA A 69 0.749 15.334 -6.857 1.00 0.00 C ATOM 0 H ALA A 69 0.877 14.234 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 69 1.216 16.968 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.477 15.980 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.790 15.028 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.110 14.451 -6.859 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.438 16.232 -4.210 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.798 16.634 -3.894 1.00 0.00 C ATOM 1017 C ALA A 70 -2.765 17.899 -3.034 1.00 0.00 C ATOM 1018 O ALA A 70 -3.495 18.853 -3.298 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.524 15.478 -3.203 1.00 0.00 C ATOM 0 H ALA A 70 -0.983 15.667 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.350 16.869 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.544 15.779 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.546 14.613 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.000 15.217 -2.284 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.910 17.866 -2.023 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.772 18.998 -1.122 1.00 0.00 C ATOM 1027 C ASN A 71 -0.315 19.465 -1.117 1.00 0.00 C ATOM 1028 O ASN A 71 -0.006 20.552 -1.603 1.00 0.00 O ATOM 1029 CB ASN A 71 -2.150 18.612 0.309 1.00 0.00 C ATOM 1030 CG ASN A 71 -3.663 18.694 0.518 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -4.184 19.618 1.122 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -4.338 17.679 -0.014 1.00 0.00 N ATOM 0 H ASN A 71 -1.306 17.073 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.437 19.789 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.805 17.600 0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.646 19.274 1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.354 17.642 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.840 16.938 -0.507 1.00 0.00 H new ATOM 1039 N CYS A 72 0.542 18.621 -0.562 1.00 0.00 N ATOM 1040 CA CYS A 72 1.959 18.934 -0.487 1.00 0.00 C ATOM 1041 C CYS A 72 2.530 18.918 -1.906 1.00 0.00 C ATOM 1042 O CYS A 72 3.326 18.044 -2.249 1.00 0.00 O ATOM 1043 CB CYS A 72 2.703 17.970 0.439 1.00 0.00 C ATOM 1044 SG CYS A 72 1.909 17.702 2.066 1.00 0.00 S ATOM 0 H CYS A 72 0.282 17.720 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 72 2.093 19.925 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.801 17.008 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.712 18.350 0.601 1.00 0.00 H new ATOM 1049 N ALA A 73 2.102 19.893 -2.694 1.00 0.00 N ATOM 1050 CA ALA A 73 2.561 20.002 -4.068 1.00 0.00 C ATOM 1051 C ALA A 73 3.703 21.018 -4.141 1.00 0.00 C ATOM 1052 O ALA A 73 4.420 21.080 -5.138 1.00 0.00 O ATOM 1053 CB ALA A 73 1.385 20.381 -4.971 1.00 0.00 C ATOM 0 H ALA A 73 1.442 20.615 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 73 2.948 19.046 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.729 20.463 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.614 19.613 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.973 21.337 -4.649 1.00 0.00 H new ATOM 1059 N SER A 74 3.836 21.789 -3.072 1.00 0.00 N ATOM 1060 CA SER A 74 4.878 22.798 -3.002 1.00 0.00 C ATOM 1061 C SER A 74 5.965 22.361 -2.018 1.00 0.00 C ATOM 1062 O SER A 74 7.153 22.429 -2.329 1.00 0.00 O ATOM 1063 CB SER A 74 4.304 24.155 -2.590 1.00 0.00 C ATOM 1064 OG SER A 74 5.279 25.192 -2.664 1.00 0.00 O ATOM 0 H SER A 74 3.239 21.735 -2.247 1.00 0.00 H new ATOM 0 HA SER A 74 5.317 22.905 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.461 24.403 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.919 24.092 -1.572 1.00 0.00 H new ATOM 0 HG SER A 74 4.873 26.042 -2.395 1.00 0.00 H new ATOM 1070 N GLU A 75 5.519 21.923 -0.850 1.00 0.00 N ATOM 1071 CA GLU A 75 6.439 21.475 0.182 1.00 0.00 C ATOM 1072 C GLU A 75 7.403 20.430 -0.383 1.00 0.00 C ATOM 1073 O GLU A 75 8.528 20.295 0.096 1.00 0.00 O ATOM 1074 CB GLU A 75 5.680 20.923 1.391 1.00 0.00 C ATOM 1075 CG GLU A 75 4.771 21.992 2.002 1.00 0.00 C ATOM 1076 CD GLU A 75 5.589 23.042 2.757 1.00 0.00 C ATOM 1077 OE1 GLU A 75 6.217 22.654 3.766 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.568 24.208 2.307 1.00 0.00 O ATOM 0 H GLU A 75 4.533 21.869 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 75 7.021 22.333 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.083 20.063 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.389 20.571 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.191 22.474 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.059 21.524 2.681 1.00 0.00 H new ATOM 1085 N CYS A 76 6.927 19.719 -1.395 1.00 0.00 N ATOM 1086 CA CYS A 76 7.733 18.690 -2.031 1.00 0.00 C ATOM 1087 C CYS A 76 8.049 19.142 -3.458 1.00 0.00 C ATOM 1088 O CYS A 76 7.220 19.001 -4.355 1.00 0.00 O ATOM 1089 CB CYS A 76 7.037 17.328 -2.004 1.00 0.00 C ATOM 1090 SG CYS A 76 6.222 16.915 -0.418 1.00 0.00 S ATOM 0 H CYS A 76 5.994 19.835 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 76 8.663 18.559 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.291 17.301 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.772 16.555 -2.231 1.00 0.00 H new ATOM 1095 N PRO A 77 9.282 19.690 -3.628 1.00 0.00 N ATOM 1096 CA PRO A 77 9.718 20.162 -4.931 1.00 0.00 C ATOM 1097 C PRO A 77 10.074 18.991 -5.849 1.00 0.00 C ATOM 1098 O PRO A 77 9.866 17.832 -5.491 1.00 0.00 O ATOM 1099 CB PRO A 77 10.901 21.072 -4.644 1.00 0.00 C ATOM 1100 CG PRO A 77 11.374 20.712 -3.245 1.00 0.00 C ATOM 1101 CD PRO A 77 10.291 19.872 -2.588 1.00 0.00 C ATOM 0 HA PRO A 77 8.936 20.702 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.695 20.922 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.610 22.121 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.312 20.158 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.564 21.614 -2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.685 18.915 -2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.874 20.375 -1.715 1.00 0.00 H new ATOM 1109 N LYS A 78 10.604 19.333 -7.014 1.00 0.00 N ATOM 1110 CA LYS A 78 10.990 18.324 -7.985 1.00 0.00 C ATOM 1111 C LYS A 78 12.464 17.967 -7.784 1.00 0.00 C ATOM 1112 O LYS A 78 13.312 18.851 -7.679 1.00 0.00 O ATOM 1113 CB LYS A 78 10.659 18.792 -9.404 1.00 0.00 C ATOM 1114 CG LYS A 78 10.236 17.615 -10.285 1.00 0.00 C ATOM 1115 CD LYS A 78 11.431 17.051 -11.057 1.00 0.00 C ATOM 1116 CE LYS A 78 11.398 15.522 -11.077 1.00 0.00 C ATOM 1117 NZ LYS A 78 11.286 15.024 -12.466 1.00 0.00 N ATOM 0 H LYS A 78 10.775 20.295 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 78 10.416 17.410 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.859 19.531 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.528 19.284 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.796 16.833 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.466 17.939 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.421 17.432 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.359 17.392 -10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.302 15.127 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.555 15.163 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.265 13.984 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.411 15.386 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.104 15.351 -13.019 1.00 0.00 H new ATOM 1131 N HIS A 79 12.724 16.668 -7.736 1.00 0.00 N ATOM 1132 CA HIS A 79 14.080 16.183 -7.549 1.00 0.00 C ATOM 1133 C HIS A 79 14.478 16.324 -6.078 1.00 0.00 C ATOM 1134 O HIS A 79 15.437 17.022 -5.755 1.00 0.00 O ATOM 1135 CB HIS A 79 15.048 16.897 -8.495 1.00 0.00 C ATOM 1136 CG HIS A 79 16.019 15.973 -9.192 1.00 0.00 C ATOM 1137 ND1 HIS A 79 15.750 15.391 -10.419 1.00 0.00 N ATOM 1138 CD2 HIS A 79 17.258 15.539 -8.822 1.00 0.00 C ATOM 1139 CE1 HIS A 79 16.788 14.641 -10.761 1.00 0.00 C ATOM 1140 NE2 HIS A 79 17.721 14.734 -9.771 1.00 0.00 N ATOM 0 H HIS A 79 12.018 15.937 -7.823 1.00 0.00 H new ATOM 0 HA HIS A 79 14.129 15.124 -7.803 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.473 17.437 -9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.611 17.640 -7.930 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.775 15.805 -7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.879 14.058 -11.666 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.626 14.263 -9.761 1.00 0.00 H new ATOM 1148 N GLU A 80 13.719 15.649 -5.227 1.00 0.00 N ATOM 1149 CA GLU A 80 13.980 15.690 -3.798 1.00 0.00 C ATOM 1150 C GLU A 80 13.549 14.376 -3.142 1.00 0.00 C ATOM 1151 O GLU A 80 12.357 14.089 -3.045 1.00 0.00 O ATOM 1152 CB GLU A 80 13.279 16.884 -3.147 1.00 0.00 C ATOM 1153 CG GLU A 80 14.272 18.011 -2.857 1.00 0.00 C ATOM 1154 CD GLU A 80 14.414 18.941 -4.064 1.00 0.00 C ATOM 1155 OE1 GLU A 80 13.697 18.694 -5.057 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.236 19.877 -3.966 1.00 0.00 O ATOM 0 H GLU A 80 12.924 15.071 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 80 15.052 15.814 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.490 17.250 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.801 16.568 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.937 18.582 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.244 17.588 -2.603 1.00 0.00 H new ATOM 1163 N HIS A 81 14.543 13.615 -2.708 1.00 0.00 N ATOM 1164 CA HIS A 81 14.281 12.339 -2.064 1.00 0.00 C ATOM 1165 C HIS A 81 13.180 12.509 -1.016 1.00 0.00 C ATOM 1166 O HIS A 81 12.312 11.648 -0.877 1.00 0.00 O ATOM 1167 CB HIS A 81 15.568 11.750 -1.482 1.00 0.00 C ATOM 1168 CG HIS A 81 15.881 12.223 -0.082 1.00 0.00 C ATOM 1169 ND1 HIS A 81 15.423 11.571 1.049 1.00 0.00 N ATOM 1170 CD2 HIS A 81 16.611 13.288 0.356 1.00 0.00 C ATOM 1171 CE1 HIS A 81 15.863 12.223 2.115 1.00 0.00 C ATOM 1172 NE2 HIS A 81 16.598 13.288 1.683 1.00 0.00 N ATOM 0 H HIS A 81 15.530 13.857 -2.790 1.00 0.00 H new ATOM 0 HA HIS A 81 13.923 11.622 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.489 10.663 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.401 12.007 -2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 81 17.114 14.009 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.673 11.958 3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 81 17.061 13.972 2.281 1.00 0.00 H new ATOM 1180 N LYS A 82 13.251 13.625 -0.306 1.00 0.00 N ATOM 1181 CA LYS A 82 12.271 13.919 0.726 1.00 0.00 C ATOM 1182 C LYS A 82 12.782 15.068 1.597 1.00 0.00 C ATOM 1183 O LYS A 82 13.632 14.864 2.463 1.00 0.00 O ATOM 1184 CB LYS A 82 11.927 12.654 1.515 1.00 0.00 C ATOM 1185 CG LYS A 82 10.547 12.121 1.123 1.00 0.00 C ATOM 1186 CD LYS A 82 10.443 10.619 1.393 1.00 0.00 C ATOM 1187 CE LYS A 82 9.502 9.946 0.392 1.00 0.00 C ATOM 1188 NZ LYS A 82 9.960 8.570 0.094 1.00 0.00 N ATOM 0 H LYS A 82 13.972 14.337 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 82 11.335 14.251 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.682 11.890 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.947 12.871 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.776 12.649 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.364 12.318 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.432 10.165 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.080 10.452 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.490 9.919 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.462 10.530 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.310 8.128 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.917 8.603 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.975 8.011 0.971 1.00 0.00 H new ATOM 1202 N SER A 83 12.245 16.251 1.337 1.00 0.00 N ATOM 1203 CA SER A 83 12.637 17.432 2.087 1.00 0.00 C ATOM 1204 C SER A 83 11.962 17.428 3.460 1.00 0.00 C ATOM 1205 O SER A 83 10.801 17.040 3.584 1.00 0.00 O ATOM 1206 CB SER A 83 12.283 18.711 1.325 1.00 0.00 C ATOM 1207 OG SER A 83 11.449 19.575 2.092 1.00 0.00 O ATOM 0 H SER A 83 11.542 16.417 0.617 1.00 0.00 H new ATOM 0 HA SER A 83 13.718 17.409 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.198 19.237 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.778 18.451 0.395 1.00 0.00 H new ATOM 0 HG SER A 83 11.699 20.507 1.922 1.00 0.00 H new ATOM 1213 N ASP A 84 12.717 17.865 4.457 1.00 0.00 N ATOM 1214 CA ASP A 84 12.206 17.916 5.816 1.00 0.00 C ATOM 1215 C ASP A 84 10.793 18.502 5.803 1.00 0.00 C ATOM 1216 O ASP A 84 9.857 17.884 6.309 1.00 0.00 O ATOM 1217 CB ASP A 84 13.080 18.809 6.700 1.00 0.00 C ATOM 1218 CG ASP A 84 13.154 18.391 8.169 1.00 0.00 C ATOM 1219 OD1 ASP A 84 12.197 18.720 8.902 1.00 0.00 O ATOM 1220 OD2 ASP A 84 14.167 17.752 8.527 1.00 0.00 O ATOM 0 H ASP A 84 13.679 18.187 4.351 1.00 0.00 H new ATOM 0 HA ASP A 84 12.207 16.902 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.090 18.823 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.701 19.830 6.647 1.00 0.00 H new ATOM 1225 N THR A 85 10.683 19.686 5.220 1.00 0.00 N ATOM 1226 CA THR A 85 9.399 20.362 5.134 1.00 0.00 C ATOM 1227 C THR A 85 8.358 19.448 4.485 1.00 0.00 C ATOM 1228 O THR A 85 7.219 19.375 4.943 1.00 0.00 O ATOM 1229 CB THR A 85 9.607 21.678 4.382 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.702 22.583 5.009 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.119 21.607 2.934 1.00 0.00 C ATOM 0 H THR A 85 11.462 20.195 4.802 1.00 0.00 H new ATOM 0 HA THR A 85 9.007 20.596 6.124 1.00 0.00 H new ATOM 0 HB THR A 85 10.665 21.942 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.874 22.631 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.290 22.566 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.666 20.827 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.054 21.377 2.920 1.00 0.00 H new ATOM 1239 N CYS A 86 8.786 18.775 3.427 1.00 0.00 N ATOM 1240 CA CYS A 86 7.905 17.869 2.710 1.00 0.00 C ATOM 1241 C CYS A 86 7.435 16.785 3.682 1.00 0.00 C ATOM 1242 O CYS A 86 6.261 16.737 4.044 1.00 0.00 O ATOM 1243 CB CYS A 86 8.588 17.273 1.477 1.00 0.00 C ATOM 1244 SG CYS A 86 7.653 15.931 0.655 1.00 0.00 S ATOM 0 H CYS A 86 9.731 18.839 3.049 1.00 0.00 H new ATOM 0 HA CYS A 86 7.041 18.419 2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.762 18.070 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.565 16.889 1.770 1.00 0.00 H new ATOM 1249 N ARG A 87 8.377 15.942 4.077 1.00 0.00 N ATOM 1250 CA ARG A 87 8.075 14.861 5.001 1.00 0.00 C ATOM 1251 C ARG A 87 7.095 15.339 6.074 1.00 0.00 C ATOM 1252 O ARG A 87 6.195 14.600 6.472 1.00 0.00 O ATOM 1253 CB ARG A 87 9.346 14.341 5.675 1.00 0.00 C ATOM 1254 CG ARG A 87 10.318 13.765 4.644 1.00 0.00 C ATOM 1255 CD ARG A 87 11.380 12.894 5.318 1.00 0.00 C ATOM 1256 NE ARG A 87 10.737 11.752 6.005 1.00 0.00 N ATOM 1257 CZ ARG A 87 11.408 10.795 6.659 1.00 0.00 C ATOM 1258 NH1 ARG A 87 12.746 10.836 6.719 1.00 0.00 N ATOM 1259 NH2 ARG A 87 10.741 9.796 7.253 1.00 0.00 N ATOM 0 H ARG A 87 9.350 15.985 3.774 1.00 0.00 H new ATOM 0 HA ARG A 87 7.625 14.051 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.829 15.151 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.087 13.573 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.769 13.173 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.800 14.577 4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.089 12.529 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.947 13.487 6.035 1.00 0.00 H new ATOM 0 HE ARG A 87 9.719 11.690 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.254 11.596 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.257 10.107 7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.723 9.765 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.252 9.067 7.751 1.00 0.00 H new ATOM 1273 N ALA A 88 7.302 16.572 6.513 1.00 0.00 N ATOM 1274 CA ALA A 88 6.448 17.157 7.533 1.00 0.00 C ATOM 1275 C ALA A 88 5.046 17.367 6.958 1.00 0.00 C ATOM 1276 O ALA A 88 4.063 16.889 7.522 1.00 0.00 O ATOM 1277 CB ALA A 88 7.073 18.459 8.036 1.00 0.00 C ATOM 0 H ALA A 88 8.049 17.182 6.181 1.00 0.00 H new ATOM 0 HA ALA A 88 6.357 16.488 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.433 18.898 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.055 18.251 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.177 19.157 7.205 1.00 0.00 H new ATOM 1283 N CYS A 89 4.999 18.082 5.844 1.00 0.00 N ATOM 1284 CA CYS A 89 3.733 18.361 5.187 1.00 0.00 C ATOM 1285 C CYS A 89 2.943 17.055 5.091 1.00 0.00 C ATOM 1286 O CYS A 89 1.726 17.046 5.271 1.00 0.00 O ATOM 1287 CB CYS A 89 3.938 19.006 3.815 1.00 0.00 C ATOM 1288 SG CYS A 89 2.401 19.547 2.983 1.00 0.00 S ATOM 0 H CYS A 89 5.817 18.477 5.379 1.00 0.00 H new ATOM 0 HA CYS A 89 3.167 19.084 5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.595 19.868 3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.453 18.296 3.169 1.00 0.00 H new ATOM 1293 N MET A 90 3.667 15.982 4.808 1.00 0.00 N ATOM 1294 CA MET A 90 3.049 14.672 4.687 1.00 0.00 C ATOM 1295 C MET A 90 2.562 14.167 6.046 1.00 0.00 C ATOM 1296 O MET A 90 1.365 13.965 6.246 1.00 0.00 O ATOM 1297 CB MET A 90 4.061 13.682 4.106 1.00 0.00 C ATOM 1298 CG MET A 90 4.449 14.068 2.678 1.00 0.00 C ATOM 1299 SD MET A 90 4.917 12.612 1.757 1.00 0.00 S ATOM 1300 CE MET A 90 3.306 11.906 1.453 1.00 0.00 C ATOM 0 H MET A 90 4.676 15.993 4.659 1.00 0.00 H new ATOM 0 HA MET A 90 2.188 14.757 4.023 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.951 13.656 4.734 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.637 12.678 4.112 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.613 14.565 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.276 14.778 2.696 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.284 10.879 1.818 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.548 12.492 1.973 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.101 11.915 0.383 1.00 0.00 H new ATOM 1310 N LYS A 91 3.515 13.978 6.947 1.00 0.00 N ATOM 1311 CA LYS A 91 3.199 13.500 8.283 1.00 0.00 C ATOM 1312 C LYS A 91 2.168 14.433 8.922 1.00 0.00 C ATOM 1313 O LYS A 91 1.484 14.051 9.870 1.00 0.00 O ATOM 1314 CB LYS A 91 4.476 13.335 9.109 1.00 0.00 C ATOM 1315 CG LYS A 91 4.163 13.335 10.607 1.00 0.00 C ATOM 1316 CD LYS A 91 5.368 12.855 11.419 1.00 0.00 C ATOM 1317 CE LYS A 91 4.939 12.383 12.810 1.00 0.00 C ATOM 1318 NZ LYS A 91 6.125 12.106 13.651 1.00 0.00 N ATOM 0 H LYS A 91 4.507 14.147 6.778 1.00 0.00 H new ATOM 0 HA LYS A 91 2.748 12.509 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.971 12.403 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.170 14.144 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.883 14.340 10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.307 12.689 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.865 12.041 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.093 13.663 11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.319 13.144 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.329 11.484 12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.817 11.787 14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.701 11.364 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.692 12.973 13.748 1.00 0.00 H new ATOM 1332 N THR A 92 2.090 15.638 8.378 1.00 0.00 N ATOM 1333 CA THR A 92 1.155 16.628 8.883 1.00 0.00 C ATOM 1334 C THR A 92 -0.280 16.243 8.517 1.00 0.00 C ATOM 1335 O THR A 92 -1.133 16.106 9.393 1.00 0.00 O ATOM 1336 CB THR A 92 1.574 17.996 8.340 1.00 0.00 C ATOM 1337 OG1 THR A 92 2.794 18.280 9.018 1.00 0.00 O ATOM 1338 CG2 THR A 92 0.631 19.116 8.783 1.00 0.00 C ATOM 0 H THR A 92 2.659 15.951 7.592 1.00 0.00 H new ATOM 0 HA THR A 92 1.178 16.673 9.972 1.00 0.00 H new ATOM 0 HB THR A 92 1.607 17.959 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.454 17.587 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.974 20.065 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.377 18.907 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.623 19.176 9.871 1.00 0.00 H new ATOM 1346 N ASN A 93 -0.502 16.078 7.221 1.00 0.00 N ATOM 1347 CA ASN A 93 -1.818 15.711 6.728 1.00 0.00 C ATOM 1348 C ASN A 93 -1.685 14.538 5.755 1.00 0.00 C ATOM 1349 O ASN A 93 -2.309 13.495 5.945 1.00 0.00 O ATOM 1350 CB ASN A 93 -2.470 16.875 5.979 1.00 0.00 C ATOM 1351 CG ASN A 93 -1.447 17.612 5.114 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -1.246 17.309 3.949 1.00 0.00 O ATOM 1353 ND2 ASN A 93 -0.812 18.595 5.746 1.00 0.00 N ATOM 0 H ASN A 93 0.208 16.192 6.498 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.436 15.442 7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.279 16.501 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.914 17.568 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.109 19.147 5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.028 18.797 6.722 1.00 0.00 H new ATOM 1360 N CYS A 94 -0.868 14.748 4.733 1.00 0.00 N ATOM 1361 CA CYS A 94 -0.644 13.721 3.730 1.00 0.00 C ATOM 1362 C CYS A 94 0.175 12.597 4.367 1.00 0.00 C ATOM 1363 O CYS A 94 1.346 12.413 4.038 1.00 0.00 O ATOM 1364 CB CYS A 94 0.037 14.287 2.483 1.00 0.00 C ATOM 1365 SG CYS A 94 -1.069 14.523 1.044 1.00 0.00 S ATOM 0 H CYS A 94 -0.353 15.615 4.578 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.602 13.325 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.489 15.246 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.848 13.619 2.194 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.473 11.873 5.269 1.00 0.00 N ATOM 1371 CA LYS A 95 0.181 10.772 5.955 1.00 0.00 C ATOM 1372 C LYS A 95 1.037 9.991 4.957 1.00 0.00 C ATOM 1373 O LYS A 95 1.727 9.045 5.332 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.849 9.911 6.688 1.00 0.00 C ATOM 1375 CG LYS A 95 -0.171 8.992 7.707 1.00 0.00 C ATOM 1376 CD LYS A 95 -0.902 7.652 7.809 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.332 6.802 8.947 1.00 0.00 C ATOM 1378 NZ LYS A 95 -1.004 5.485 8.996 1.00 0.00 N ATOM 0 H LYS A 95 -1.444 12.028 5.540 1.00 0.00 H new ATOM 0 HA LYS A 95 0.854 11.149 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.570 10.553 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.406 9.312 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.866 8.823 7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.154 9.476 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.965 7.825 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.812 7.112 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.740 6.665 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.464 7.320 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.606 4.921 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.023 5.621 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.856 4.986 8.095 1.00 0.00 H new TER 1392 LYS A 95