USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=17 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= 0 X(o=-0.0031,f=0) USER MOD Set 1.2: A 90 MET CE :methyl -158:sc=-0.00312 (180deg=0) USER MOD Set 2.1: A 71 ASN : amide:sc= 0 X(o=-0.31,f=-0.31) USER MOD Set 2.2: A 93 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.9!) USER MOD Set 3.1: A 61 MET CE :methyl -110:sc= -0.0544 (180deg=-0.192) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -119:sc= -0.265 (180deg=-2.65!) USER MOD Single : A 1 ILE N :NH3+ -147:sc= -0.0197 (180deg=-0.459) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 14 THR OG1 : rot 59:sc= 1.34 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 103:sc= 0.0992 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0876) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00635 USER MOD Single : A 34 SER OG : rot -174:sc= 1.31 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= 0.0228 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) 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= -2.66 K(o=-2.7,f=-9.2!) USER MOD Single : A 54 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 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= -3.39! C(o=-3.4!,f=-3.3!) USER MOD Single : A 81 HIS : no HD1:sc= -2.96! K(o=-3!,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 170:sc= 0.0229 USER MOD Single : A 85 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -16.736 13.191 5.962 1.00 0.00 N ATOM 2 CA ILE A 1 -15.424 13.564 5.461 1.00 0.00 C ATOM 3 C ILE A 1 -15.561 14.101 4.035 1.00 0.00 C ATOM 4 O ILE A 1 -16.129 13.436 3.170 1.00 0.00 O ATOM 5 CB ILE A 1 -14.450 12.391 5.586 1.00 0.00 C ATOM 6 CG1 ILE A 1 -14.222 12.021 7.053 1.00 0.00 C ATOM 7 CG2 ILE A 1 -13.137 12.689 4.859 1.00 0.00 C ATOM 8 CD1 ILE A 1 -14.500 10.536 7.294 1.00 0.00 C ATOM 0 H1 ILE A 1 -16.778 13.364 6.987 1.00 0.00 H new ATOM 0 H2 ILE A 1 -17.464 13.760 5.485 1.00 0.00 H new ATOM 0 H3 ILE A 1 -16.906 12.182 5.774 1.00 0.00 H new ATOM 0 HA ILE A 1 -14.999 14.366 6.064 1.00 0.00 H new ATOM 0 HB ILE A 1 -14.897 11.523 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -13.195 12.253 7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -14.871 12.624 7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.462 11.839 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -13.338 12.865 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.674 13.575 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -14.330 10.300 8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.535 10.313 7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.833 9.936 6.675 1.00 0.00 H new ATOM 20 N SER A 2 -15.031 15.298 3.835 1.00 0.00 N ATOM 21 CA SER A 2 -15.087 15.932 2.528 1.00 0.00 C ATOM 22 C SER A 2 -13.947 16.943 2.388 1.00 0.00 C ATOM 23 O SER A 2 -13.886 17.922 3.129 1.00 0.00 O ATOM 24 CB SER A 2 -16.436 16.619 2.307 1.00 0.00 C ATOM 25 OG SER A 2 -17.154 16.047 1.217 1.00 0.00 O ATOM 0 H SER A 2 -14.561 15.846 4.555 1.00 0.00 H new ATOM 0 HA SER A 2 -14.974 15.159 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.034 16.543 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.276 17.681 2.118 1.00 0.00 H new ATOM 0 HG SER A 2 -18.010 16.512 1.109 1.00 0.00 H new ATOM 31 N GLU A 3 -13.072 16.670 1.431 1.00 0.00 N ATOM 32 CA GLU A 3 -11.937 17.544 1.184 1.00 0.00 C ATOM 33 C GLU A 3 -11.352 18.041 2.507 1.00 0.00 C ATOM 34 O GLU A 3 -11.403 19.234 2.803 1.00 0.00 O ATOM 35 CB GLU A 3 -12.333 18.716 0.284 1.00 0.00 C ATOM 36 CG GLU A 3 -11.708 18.576 -1.105 1.00 0.00 C ATOM 37 CD GLU A 3 -12.006 19.805 -1.966 1.00 0.00 C ATOM 38 OE1 GLU A 3 -13.203 20.019 -2.256 1.00 0.00 O ATOM 39 OE2 GLU A 3 -11.030 20.504 -2.316 1.00 0.00 O ATOM 0 H GLU A 3 -13.126 15.857 0.818 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.170 16.972 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.418 18.761 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.012 19.653 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.630 18.446 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.096 17.682 -1.594 1.00 0.00 H new ATOM 46 N PHE A 4 -10.811 17.102 3.269 1.00 0.00 N ATOM 47 CA PHE A 4 -10.217 17.430 4.553 1.00 0.00 C ATOM 48 C PHE A 4 -9.609 16.189 5.210 1.00 0.00 C ATOM 49 O PHE A 4 -9.919 15.063 4.823 1.00 0.00 O ATOM 50 CB PHE A 4 -11.341 17.964 5.443 1.00 0.00 C ATOM 51 CG PHE A 4 -10.866 18.910 6.547 1.00 0.00 C ATOM 52 CD1 PHE A 4 -10.393 18.405 7.718 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.916 20.256 6.358 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.951 19.283 8.743 1.00 0.00 C ATOM 55 CE2 PHE A 4 -10.474 21.134 7.383 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.001 20.629 8.554 1.00 0.00 C ATOM 0 H PHE A 4 -10.772 16.113 3.021 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.422 18.163 4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -12.067 18.486 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.860 17.121 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.354 17.336 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.292 20.657 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.575 18.882 9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.513 22.203 7.233 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.665 21.297 9.334 1.00 0.00 H new ATOM 66 N ALA A 5 -8.755 16.436 6.192 1.00 0.00 N ATOM 67 CA ALA A 5 -8.101 15.353 6.906 1.00 0.00 C ATOM 68 C ALA A 5 -7.042 14.719 6.002 1.00 0.00 C ATOM 69 O ALA A 5 -7.084 14.878 4.783 1.00 0.00 O ATOM 70 CB ALA A 5 -9.151 14.342 7.372 1.00 0.00 C ATOM 0 H ALA A 5 -8.501 17.371 6.510 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.594 15.729 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.661 13.529 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.863 14.836 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.678 13.940 6.507 1.00 0.00 H new ATOM 76 N PRO A 6 -6.092 13.994 6.652 1.00 0.00 N ATOM 77 CA PRO A 6 -5.023 13.335 5.920 1.00 0.00 C ATOM 78 C PRO A 6 -5.539 12.084 5.205 1.00 0.00 C ATOM 79 O PRO A 6 -6.330 11.326 5.765 1.00 0.00 O ATOM 80 CB PRO A 6 -3.963 13.027 6.965 1.00 0.00 C ATOM 81 CG PRO A 6 -4.668 13.103 8.309 1.00 0.00 C ATOM 82 CD PRO A 6 -6.010 13.783 8.094 1.00 0.00 C ATOM 0 HA PRO A 6 -4.611 13.957 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.533 12.038 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.143 13.744 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.808 12.105 8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.066 13.664 9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.831 13.161 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.067 14.727 8.636 1.00 0.00 H new ATOM 90 N VAL A 7 -5.069 11.906 3.979 1.00 0.00 N ATOM 91 CA VAL A 7 -5.472 10.760 3.182 1.00 0.00 C ATOM 92 C VAL A 7 -4.956 9.479 3.841 1.00 0.00 C ATOM 93 O VAL A 7 -3.750 9.302 4.002 1.00 0.00 O ATOM 94 CB VAL A 7 -4.987 10.929 1.741 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.466 9.771 0.862 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.433 12.274 1.166 1.00 0.00 C ATOM 0 H VAL A 7 -4.413 12.536 3.518 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.559 10.688 3.139 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.897 10.914 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.108 9.915 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.076 8.831 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.556 9.740 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.075 12.368 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.521 12.331 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.021 13.082 1.770 1.00 0.00 H new ATOM 106 N ASP A 8 -5.896 8.619 4.204 1.00 0.00 N ATOM 107 CA ASP A 8 -5.551 7.359 4.841 1.00 0.00 C ATOM 108 C ASP A 8 -4.758 6.495 3.859 1.00 0.00 C ATOM 109 O ASP A 8 -3.780 5.855 4.240 1.00 0.00 O ATOM 110 CB ASP A 8 -6.808 6.584 5.245 1.00 0.00 C ATOM 111 CG ASP A 8 -7.262 6.797 6.690 1.00 0.00 C ATOM 112 OD1 ASP A 8 -7.808 7.888 6.959 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.053 5.862 7.494 1.00 0.00 O ATOM 0 H ASP A 8 -6.896 8.770 4.069 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.962 7.582 5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.622 6.869 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.626 5.520 5.090 1.00 0.00 H new ATOM 118 N CYS A 9 -5.210 6.505 2.613 1.00 0.00 N ATOM 119 CA CYS A 9 -4.555 5.731 1.573 1.00 0.00 C ATOM 120 C CYS A 9 -4.734 4.246 1.895 1.00 0.00 C ATOM 121 O CYS A 9 -5.526 3.559 1.251 1.00 0.00 O ATOM 122 CB CYS A 9 -3.079 6.109 1.431 1.00 0.00 C ATOM 123 SG CYS A 9 -2.764 7.602 0.420 1.00 0.00 S ATOM 0 H CYS A 9 -6.022 7.037 2.301 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.014 5.951 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.661 6.266 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.544 5.268 0.989 1.00 0.00 H new ATOM 128 N LYS A 10 -3.986 3.794 2.891 1.00 0.00 N ATOM 129 CA LYS A 10 -4.053 2.403 3.306 1.00 0.00 C ATOM 130 C LYS A 10 -5.507 1.928 3.251 1.00 0.00 C ATOM 131 O LYS A 10 -5.824 0.968 2.551 1.00 0.00 O ATOM 132 CB LYS A 10 -3.398 2.221 4.676 1.00 0.00 C ATOM 133 CG LYS A 10 -3.164 0.739 4.979 1.00 0.00 C ATOM 134 CD LYS A 10 -3.834 0.336 6.295 1.00 0.00 C ATOM 135 CE LYS A 10 -3.348 -1.038 6.759 1.00 0.00 C ATOM 136 NZ LYS A 10 -4.171 -1.525 7.888 1.00 0.00 N ATOM 0 H LYS A 10 -3.330 4.367 3.423 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.486 1.773 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.449 2.756 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.032 2.658 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.558 0.131 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.094 0.540 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.616 1.080 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.916 0.318 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.399 -1.746 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.303 -0.977 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.827 -2.459 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.102 -0.857 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.163 -1.602 7.586 1.00 0.00 H new ATOM 150 N GLY A 11 -6.351 2.623 3.998 1.00 0.00 N ATOM 151 CA GLY A 11 -7.764 2.284 4.043 1.00 0.00 C ATOM 152 C GLY A 11 -8.432 2.538 2.691 1.00 0.00 C ATOM 153 O GLY A 11 -9.124 1.668 2.163 1.00 0.00 O ATOM 0 H GLY A 11 -6.085 3.419 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.882 1.236 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.259 2.875 4.814 1.00 0.00 H new ATOM 157 N GLN A 12 -8.201 3.733 2.168 1.00 0.00 N ATOM 158 CA GLN A 12 -8.772 4.113 0.886 1.00 0.00 C ATOM 159 C GLN A 12 -8.428 3.069 -0.178 1.00 0.00 C ATOM 160 O GLN A 12 -9.117 2.959 -1.191 1.00 0.00 O ATOM 161 CB GLN A 12 -8.297 5.504 0.464 1.00 0.00 C ATOM 162 CG GLN A 12 -9.049 6.596 1.227 1.00 0.00 C ATOM 163 CD GLN A 12 -10.033 7.326 0.311 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.875 6.729 -0.340 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.882 8.647 0.299 1.00 0.00 N ATOM 0 H GLN A 12 -7.626 4.451 2.608 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.856 4.153 0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.227 5.598 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.448 5.634 -0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.587 6.154 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.338 7.309 1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.156 9.083 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.492 9.225 -0.280 1.00 0.00 H new ATOM 174 N CYS A 13 -7.362 2.329 0.088 1.00 0.00 N ATOM 175 CA CYS A 13 -6.917 1.298 -0.834 1.00 0.00 C ATOM 176 C CYS A 13 -7.596 -0.018 -0.447 1.00 0.00 C ATOM 177 O CYS A 13 -6.924 -0.989 -0.103 1.00 0.00 O ATOM 178 CB CYS A 13 -5.392 1.170 -0.848 1.00 0.00 C ATOM 179 SG CYS A 13 -4.513 2.567 -1.639 1.00 0.00 S ATOM 0 H CYS A 13 -6.793 2.423 0.929 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.202 1.569 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.040 1.072 0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.123 0.250 -1.366 1.00 0.00 H new ATOM 184 N THR A 14 -8.919 -0.007 -0.517 1.00 0.00 N ATOM 185 CA THR A 14 -9.696 -1.187 -0.179 1.00 0.00 C ATOM 186 C THR A 14 -10.002 -2.003 -1.436 1.00 0.00 C ATOM 187 O THR A 14 -9.991 -3.232 -1.401 1.00 0.00 O ATOM 188 CB THR A 14 -10.950 -0.729 0.569 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.493 -0.486 1.897 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.979 -1.850 0.728 1.00 0.00 C ATOM 0 H THR A 14 -9.473 0.801 -0.803 1.00 0.00 H new ATOM 0 HA THR A 14 -9.136 -1.855 0.475 1.00 0.00 H new ATOM 0 HB THR A 14 -11.404 0.108 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.782 0.188 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.849 -1.472 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.286 -2.204 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.536 -2.674 1.288 1.00 0.00 H new ATOM 198 N THR A 15 -10.268 -1.285 -2.518 1.00 0.00 N ATOM 199 CA THR A 15 -10.577 -1.927 -3.784 1.00 0.00 C ATOM 200 C THR A 15 -9.344 -2.652 -4.329 1.00 0.00 C ATOM 201 O THR A 15 -9.436 -3.799 -4.764 1.00 0.00 O ATOM 202 CB THR A 15 -11.124 -0.860 -4.734 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.538 -1.013 -4.652 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.801 -1.159 -6.200 1.00 0.00 C ATOM 0 H THR A 15 -10.276 -0.265 -2.544 1.00 0.00 H new ATOM 0 HA THR A 15 -11.340 -2.696 -3.662 1.00 0.00 H new ATOM 0 HB THR A 15 -10.712 0.112 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.972 -0.358 -5.237 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.212 -0.371 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.720 -1.204 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.241 -2.116 -6.482 1.00 0.00 H new ATOM 212 N PRO A 16 -8.190 -1.934 -4.287 1.00 0.00 N ATOM 213 CA PRO A 16 -6.941 -2.496 -4.771 1.00 0.00 C ATOM 214 C PRO A 16 -6.381 -3.520 -3.782 1.00 0.00 C ATOM 215 O PRO A 16 -5.588 -4.383 -4.158 1.00 0.00 O ATOM 216 CB PRO A 16 -6.023 -1.301 -4.972 1.00 0.00 C ATOM 217 CG PRO A 16 -6.629 -0.169 -4.158 1.00 0.00 C ATOM 218 CD PRO A 16 -8.044 -0.573 -3.779 1.00 0.00 C ATOM 0 HA PRO A 16 -7.062 -3.049 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.011 -1.525 -4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.957 -1.032 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.034 0.020 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.638 0.755 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.191 -0.535 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.780 0.097 -4.224 1.00 0.00 H new ATOM 226 N CYS A 17 -6.815 -3.392 -2.537 1.00 0.00 N ATOM 227 CA CYS A 17 -6.367 -4.296 -1.491 1.00 0.00 C ATOM 228 C CYS A 17 -7.572 -5.106 -1.008 1.00 0.00 C ATOM 229 O CYS A 17 -7.633 -5.499 0.156 1.00 0.00 O ATOM 230 CB CYS A 17 -5.689 -3.543 -0.345 1.00 0.00 C ATOM 231 SG CYS A 17 -4.534 -2.224 -0.870 1.00 0.00 S ATOM 0 H CYS A 17 -7.472 -2.676 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.612 -4.973 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.460 -3.101 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.145 -4.260 0.270 1.00 0.00 H new ATOM 236 N GLU A 18 -8.500 -5.332 -1.926 1.00 0.00 N ATOM 237 CA GLU A 18 -9.699 -6.088 -1.608 1.00 0.00 C ATOM 238 C GLU A 18 -9.388 -7.586 -1.571 1.00 0.00 C ATOM 239 O GLU A 18 -9.715 -8.267 -0.601 1.00 0.00 O ATOM 240 CB GLU A 18 -10.818 -5.786 -2.607 1.00 0.00 C ATOM 241 CG GLU A 18 -12.082 -5.312 -1.886 1.00 0.00 C ATOM 242 CD GLU A 18 -13.340 -5.780 -2.620 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.620 -5.203 -3.692 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.994 -6.706 -2.091 1.00 0.00 O ATOM 0 H GLU A 18 -8.446 -5.005 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.045 -5.784 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.487 -5.021 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.041 -6.679 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.088 -5.695 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.080 -4.224 -1.818 1.00 0.00 H new ATOM 251 N PRO A 19 -8.742 -8.067 -2.667 1.00 0.00 N ATOM 252 CA PRO A 19 -8.383 -9.471 -2.768 1.00 0.00 C ATOM 253 C PRO A 19 -7.183 -9.795 -1.876 1.00 0.00 C ATOM 254 O PRO A 19 -7.112 -10.876 -1.293 1.00 0.00 O ATOM 255 CB PRO A 19 -8.104 -9.700 -4.245 1.00 0.00 C ATOM 256 CG PRO A 19 -7.865 -8.324 -4.843 1.00 0.00 C ATOM 257 CD PRO A 19 -8.338 -7.289 -3.835 1.00 0.00 C ATOM 0 HA PRO A 19 -9.174 -10.134 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.234 -10.342 -4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.946 -10.195 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.808 -8.183 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.407 -8.217 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.543 -6.586 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.170 -6.704 -4.228 1.00 0.00 H new ATOM 265 N LEU A 20 -6.268 -8.840 -1.798 1.00 0.00 N ATOM 266 CA LEU A 20 -5.075 -9.010 -0.987 1.00 0.00 C ATOM 267 C LEU A 20 -5.483 -9.288 0.461 1.00 0.00 C ATOM 268 O LEU A 20 -5.144 -10.333 1.016 1.00 0.00 O ATOM 269 CB LEU A 20 -4.144 -7.806 -1.143 1.00 0.00 C ATOM 270 CG LEU A 20 -3.281 -7.463 0.073 1.00 0.00 C ATOM 271 CD1 LEU A 20 -2.143 -8.471 0.239 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.766 -6.025 -0.008 1.00 0.00 C ATOM 0 H LEU A 20 -6.329 -7.945 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.503 -9.872 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.485 -7.989 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.749 -6.934 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.904 -7.532 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.545 -8.204 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.558 -9.469 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.513 -8.459 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.156 -5.807 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.164 -5.904 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.611 -5.337 -0.042 1.00 0.00 H new ATOM 284 N THR A 21 -6.205 -8.336 1.033 1.00 0.00 N ATOM 285 CA THR A 21 -6.663 -8.465 2.405 1.00 0.00 C ATOM 286 C THR A 21 -7.269 -9.851 2.637 1.00 0.00 C ATOM 287 O THR A 21 -6.766 -10.624 3.451 1.00 0.00 O ATOM 288 CB THR A 21 -7.638 -7.320 2.689 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.794 -6.209 2.979 1.00 0.00 O ATOM 290 CG2 THR A 21 -8.432 -7.533 3.979 1.00 0.00 C ATOM 0 H THR A 21 -6.484 -7.471 0.570 1.00 0.00 H new ATOM 0 HA THR A 21 -5.833 -8.386 3.107 1.00 0.00 H new ATOM 0 HB THR A 21 -8.328 -7.215 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.764 -5.610 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.108 -6.692 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.010 -8.454 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.744 -7.605 4.822 1.00 0.00 H new ATOM 298 N ALA A 22 -8.340 -10.123 1.907 1.00 0.00 N ATOM 299 CA ALA A 22 -9.020 -11.401 2.023 1.00 0.00 C ATOM 300 C ALA A 22 -7.995 -12.531 1.911 1.00 0.00 C ATOM 301 O ALA A 22 -8.212 -13.626 2.428 1.00 0.00 O ATOM 302 CB ALA A 22 -10.113 -11.498 0.956 1.00 0.00 C ATOM 0 H ALA A 22 -8.754 -9.480 1.232 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.505 -11.490 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.623 -12.457 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.832 -10.691 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.664 -11.415 -0.034 1.00 0.00 H new ATOM 308 N CYS A 23 -6.898 -12.227 1.231 1.00 0.00 N ATOM 309 CA CYS A 23 -5.839 -13.203 1.045 1.00 0.00 C ATOM 310 C CYS A 23 -5.125 -13.400 2.384 1.00 0.00 C ATOM 311 O CYS A 23 -4.944 -14.530 2.835 1.00 0.00 O ATOM 312 CB CYS A 23 -4.869 -12.782 -0.061 1.00 0.00 C ATOM 313 SG CYS A 23 -4.053 -14.167 -0.936 1.00 0.00 S ATOM 0 H CYS A 23 -6.721 -11.318 0.803 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.269 -14.151 0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.411 -12.179 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.101 -12.142 0.373 1.00 0.00 H new ATOM 318 N LYS A 24 -4.740 -12.283 2.983 1.00 0.00 N ATOM 319 CA LYS A 24 -4.051 -12.318 4.261 1.00 0.00 C ATOM 320 C LYS A 24 -4.890 -13.110 5.266 1.00 0.00 C ATOM 321 O LYS A 24 -4.380 -14.009 5.934 1.00 0.00 O ATOM 322 CB LYS A 24 -3.712 -10.900 4.727 1.00 0.00 C ATOM 323 CG LYS A 24 -2.503 -10.349 3.967 1.00 0.00 C ATOM 324 CD LYS A 24 -2.454 -8.822 4.050 1.00 0.00 C ATOM 325 CE LYS A 24 -2.126 -8.360 5.471 1.00 0.00 C ATOM 326 NZ LYS A 24 -3.342 -7.855 6.146 1.00 0.00 N ATOM 0 H LYS A 24 -4.892 -11.347 2.606 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.096 -12.834 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.571 -10.247 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.503 -10.905 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.586 -10.769 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.553 -10.659 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.704 -8.441 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.413 -8.407 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.704 -9.188 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.369 -7.577 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.101 -7.546 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.728 -7.051 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.053 -8.613 6.193 1.00 0.00 H new ATOM 340 N GLU A 25 -6.162 -12.748 5.343 1.00 0.00 N ATOM 341 CA GLU A 25 -7.076 -13.414 6.255 1.00 0.00 C ATOM 342 C GLU A 25 -7.032 -14.928 6.039 1.00 0.00 C ATOM 343 O GLU A 25 -6.553 -15.668 6.897 1.00 0.00 O ATOM 344 CB GLU A 25 -8.500 -12.878 6.093 1.00 0.00 C ATOM 345 CG GLU A 25 -8.927 -12.075 7.323 1.00 0.00 C ATOM 346 CD GLU A 25 -9.452 -12.998 8.425 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.363 -13.795 8.112 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.930 -12.886 9.555 1.00 0.00 O ATOM 0 H GLU A 25 -6.581 -12.002 4.788 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.758 -13.203 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.556 -12.248 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.189 -13.708 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.081 -11.500 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.700 -11.359 7.044 1.00 0.00 H new ATOM 355 N LYS A 26 -7.540 -15.345 4.888 1.00 0.00 N ATOM 356 CA LYS A 26 -7.564 -16.757 4.548 1.00 0.00 C ATOM 357 C LYS A 26 -6.256 -17.409 5.001 1.00 0.00 C ATOM 358 O LYS A 26 -6.257 -18.541 5.484 1.00 0.00 O ATOM 359 CB LYS A 26 -7.862 -16.945 3.059 1.00 0.00 C ATOM 360 CG LYS A 26 -8.697 -18.205 2.822 1.00 0.00 C ATOM 361 CD LYS A 26 -9.899 -17.905 1.924 1.00 0.00 C ATOM 362 CE LYS A 26 -10.289 -19.134 1.101 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.329 -19.343 -0.006 1.00 0.00 N ATOM 0 H LYS A 26 -7.938 -14.729 4.179 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.372 -17.262 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.395 -16.074 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.927 -17.014 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.078 -18.975 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.042 -18.602 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.744 -17.589 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.661 -17.077 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.312 -20.016 1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.294 -19.006 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.741 -19.995 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.122 -18.432 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.449 -19.749 0.370 1.00 0.00 H new ATOM 377 N CYS A 27 -5.172 -16.667 4.829 1.00 0.00 N ATOM 378 CA CYS A 27 -3.860 -17.159 5.214 1.00 0.00 C ATOM 379 C CYS A 27 -3.802 -17.228 6.742 1.00 0.00 C ATOM 380 O CYS A 27 -3.565 -18.293 7.310 1.00 0.00 O ATOM 381 CB CYS A 27 -2.739 -16.291 4.639 1.00 0.00 C ATOM 382 SG CYS A 27 -2.135 -16.810 2.992 1.00 0.00 S ATOM 0 H CYS A 27 -5.175 -15.729 4.428 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.707 -18.156 4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.093 -15.262 4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.901 -16.296 5.336 1.00 0.00 H new ATOM 387 N ALA A 28 -4.023 -16.078 7.363 1.00 0.00 N ATOM 388 CA ALA A 28 -3.998 -15.995 8.813 1.00 0.00 C ATOM 389 C ALA A 28 -4.675 -17.234 9.402 1.00 0.00 C ATOM 390 O ALA A 28 -4.177 -17.820 10.363 1.00 0.00 O ATOM 391 CB ALA A 28 -4.670 -14.695 9.261 1.00 0.00 C ATOM 0 H ALA A 28 -4.220 -15.197 6.888 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.971 -15.975 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.652 -14.632 10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.134 -13.844 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.703 -14.681 8.914 1.00 0.00 H new ATOM 397 N GLU A 29 -5.799 -17.597 8.802 1.00 0.00 N ATOM 398 CA GLU A 29 -6.549 -18.756 9.256 1.00 0.00 C ATOM 399 C GLU A 29 -5.726 -20.031 9.058 1.00 0.00 C ATOM 400 O GLU A 29 -5.514 -20.790 10.002 1.00 0.00 O ATOM 401 CB GLU A 29 -7.895 -18.855 8.535 1.00 0.00 C ATOM 402 CG GLU A 29 -8.954 -18.000 9.233 1.00 0.00 C ATOM 403 CD GLU A 29 -9.256 -18.537 10.634 1.00 0.00 C ATOM 404 OE1 GLU A 29 -9.673 -19.712 10.714 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.061 -17.759 11.594 1.00 0.00 O ATOM 0 H GLU A 29 -6.209 -17.109 8.005 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.752 -18.639 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.783 -18.529 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.222 -19.895 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.607 -16.969 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.868 -17.990 8.639 1.00 0.00 H new ATOM 412 N SER A 30 -5.285 -20.227 7.824 1.00 0.00 N ATOM 413 CA SER A 30 -4.491 -21.397 7.490 1.00 0.00 C ATOM 414 C SER A 30 -3.205 -21.411 8.320 1.00 0.00 C ATOM 415 O SER A 30 -2.658 -22.475 8.605 1.00 0.00 O ATOM 416 CB SER A 30 -4.160 -21.430 5.997 1.00 0.00 C ATOM 417 OG SER A 30 -4.445 -22.699 5.415 1.00 0.00 O ATOM 0 H SER A 30 -5.463 -19.595 7.043 1.00 0.00 H new ATOM 0 HA SER A 30 -5.076 -22.286 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.732 -20.658 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.105 -21.194 5.854 1.00 0.00 H new ATOM 0 HG SER A 30 -4.222 -22.679 4.461 1.00 0.00 H new ATOM 423 N CYS A 31 -2.761 -20.217 8.684 1.00 0.00 N ATOM 424 CA CYS A 31 -1.550 -20.078 9.475 1.00 0.00 C ATOM 425 C CYS A 31 -1.951 -19.718 10.907 1.00 0.00 C ATOM 426 O CYS A 31 -1.464 -18.734 11.462 1.00 0.00 O ATOM 427 CB CYS A 31 -0.596 -19.045 8.872 1.00 0.00 C ATOM 428 SG CYS A 31 0.276 -19.595 7.360 1.00 0.00 S ATOM 0 H CYS A 31 -3.218 -19.337 8.446 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.004 -21.021 9.478 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.160 -18.142 8.641 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.145 -18.774 9.624 1.00 0.00 H new ATOM 433 N GLU A 32 -2.833 -20.534 11.463 1.00 0.00 N ATOM 434 CA GLU A 32 -3.304 -20.314 12.820 1.00 0.00 C ATOM 435 C GLU A 32 -2.368 -20.990 13.824 1.00 0.00 C ATOM 436 O GLU A 32 -1.724 -20.317 14.628 1.00 0.00 O ATOM 437 CB GLU A 32 -4.741 -20.813 12.989 1.00 0.00 C ATOM 438 CG GLU A 32 -5.715 -19.642 13.131 1.00 0.00 C ATOM 439 CD GLU A 32 -7.070 -20.116 13.661 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.624 -21.052 13.045 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.520 -19.532 14.670 1.00 0.00 O ATOM 0 H GLU A 32 -3.234 -21.349 10.999 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.300 -19.242 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.022 -21.422 12.130 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.806 -21.454 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.297 -18.897 13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.848 -19.156 12.164 1.00 0.00 H new ATOM 448 N THR A 33 -2.320 -22.311 13.743 1.00 0.00 N ATOM 449 CA THR A 33 -1.473 -23.085 14.635 1.00 0.00 C ATOM 450 C THR A 33 0.002 -22.787 14.360 1.00 0.00 C ATOM 451 O THR A 33 0.844 -22.931 15.245 1.00 0.00 O ATOM 452 CB THR A 33 -1.836 -24.562 14.468 1.00 0.00 C ATOM 453 OG1 THR A 33 -1.587 -24.828 13.090 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.335 -24.819 14.632 1.00 0.00 C ATOM 0 H THR A 33 -2.854 -22.865 13.074 1.00 0.00 H new ATOM 0 HA THR A 33 -1.639 -22.810 15.677 1.00 0.00 H new ATOM 0 HB THR A 33 -1.284 -25.155 15.197 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.795 -25.766 12.895 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.538 -25.882 14.504 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.651 -24.507 15.627 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.886 -24.252 13.882 1.00 0.00 H new ATOM 462 N SER A 34 0.271 -22.378 13.129 1.00 0.00 N ATOM 463 CA SER A 34 1.630 -22.058 12.726 1.00 0.00 C ATOM 464 C SER A 34 2.295 -21.175 13.784 1.00 0.00 C ATOM 465 O SER A 34 1.796 -20.096 14.099 1.00 0.00 O ATOM 466 CB SER A 34 1.652 -21.363 11.363 1.00 0.00 C ATOM 467 OG SER A 34 1.838 -22.288 10.295 1.00 0.00 O ATOM 0 H SER A 34 -0.429 -22.261 12.397 1.00 0.00 H new ATOM 0 HA SER A 34 2.189 -22.990 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.717 -20.823 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.453 -20.624 11.346 1.00 0.00 H new ATOM 0 HG SER A 34 1.933 -21.799 9.451 1.00 0.00 H new ATOM 473 N ALA A 35 3.412 -21.665 14.301 1.00 0.00 N ATOM 474 CA ALA A 35 4.150 -20.934 15.316 1.00 0.00 C ATOM 475 C ALA A 35 4.508 -19.546 14.780 1.00 0.00 C ATOM 476 O ALA A 35 3.988 -18.539 15.258 1.00 0.00 O ATOM 477 CB ALA A 35 5.387 -21.737 15.727 1.00 0.00 C ATOM 0 H ALA A 35 3.824 -22.560 14.036 1.00 0.00 H new ATOM 0 HA ALA A 35 3.540 -20.796 16.209 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.941 -21.188 16.489 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.078 -22.702 16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.025 -21.893 14.857 1.00 0.00 H new ATOM 483 N ASP A 36 5.394 -19.538 13.795 1.00 0.00 N ATOM 484 CA ASP A 36 5.827 -18.291 13.189 1.00 0.00 C ATOM 485 C ASP A 36 4.695 -17.726 12.329 1.00 0.00 C ATOM 486 O ASP A 36 4.821 -17.640 11.108 1.00 0.00 O ATOM 487 CB ASP A 36 7.042 -18.510 12.285 1.00 0.00 C ATOM 488 CG ASP A 36 8.091 -19.479 12.836 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.229 -19.520 14.077 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.731 -20.156 12.003 1.00 0.00 O ATOM 0 H ASP A 36 5.824 -20.375 13.402 1.00 0.00 H new ATOM 0 HA ASP A 36 6.093 -17.602 13.991 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.696 -18.882 11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.519 -17.547 12.103 1.00 0.00 H new ATOM 495 N LYS A 37 3.614 -17.356 13.000 1.00 0.00 N ATOM 496 CA LYS A 37 2.460 -16.802 12.312 1.00 0.00 C ATOM 497 C LYS A 37 2.932 -15.787 11.269 1.00 0.00 C ATOM 498 O LYS A 37 2.734 -15.986 10.071 1.00 0.00 O ATOM 499 CB LYS A 37 1.460 -16.229 13.319 1.00 0.00 C ATOM 500 CG LYS A 37 0.051 -16.182 12.726 1.00 0.00 C ATOM 501 CD LYS A 37 -0.930 -15.519 13.696 1.00 0.00 C ATOM 502 CE LYS A 37 -1.867 -16.554 14.321 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.913 -15.887 15.127 1.00 0.00 N ATOM 0 H LYS A 37 3.513 -17.429 14.012 1.00 0.00 H new ATOM 0 HA LYS A 37 1.924 -17.585 11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.458 -16.839 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.769 -15.226 13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.066 -15.631 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.285 -17.193 12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.378 -15.002 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.515 -14.765 13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.331 -17.153 13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.296 -17.237 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.540 -16.604 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.466 -15.334 15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.469 -15.253 14.518 1.00 0.00 H new ATOM 517 N LYS A 38 3.546 -14.722 11.761 1.00 0.00 N ATOM 518 CA LYS A 38 4.048 -13.676 10.886 1.00 0.00 C ATOM 519 C LYS A 38 4.701 -14.314 9.658 1.00 0.00 C ATOM 520 O LYS A 38 4.179 -14.211 8.550 1.00 0.00 O ATOM 521 CB LYS A 38 4.975 -12.733 11.656 1.00 0.00 C ATOM 522 CG LYS A 38 4.419 -11.308 11.670 1.00 0.00 C ATOM 523 CD LYS A 38 3.409 -11.124 12.805 1.00 0.00 C ATOM 524 CE LYS A 38 2.346 -10.089 12.431 1.00 0.00 C ATOM 525 NZ LYS A 38 1.426 -9.859 13.567 1.00 0.00 N ATOM 0 H LYS A 38 3.708 -14.560 12.755 1.00 0.00 H new ATOM 0 HA LYS A 38 3.228 -13.055 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.095 -13.090 12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.964 -12.737 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.236 -10.596 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.941 -11.091 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.930 -12.077 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.927 -10.807 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.826 -9.152 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.783 -10.434 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.711 -9.154 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.955 -10.752 13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.965 -9.510 14.385 1.00 0.00 H new ATOM 539 N THR A 39 5.834 -14.958 9.898 1.00 0.00 N ATOM 540 CA THR A 39 6.563 -15.613 8.825 1.00 0.00 C ATOM 541 C THR A 39 5.600 -16.371 7.910 1.00 0.00 C ATOM 542 O THR A 39 5.575 -16.140 6.702 1.00 0.00 O ATOM 543 CB THR A 39 7.632 -16.507 9.457 1.00 0.00 C ATOM 544 OG1 THR A 39 8.353 -15.631 10.319 1.00 0.00 O ATOM 545 CG2 THR A 39 8.677 -16.976 8.444 1.00 0.00 C ATOM 0 H THR A 39 6.265 -15.040 10.819 1.00 0.00 H new ATOM 0 HA THR A 39 7.063 -14.886 8.186 1.00 0.00 H new ATOM 0 HB THR A 39 7.155 -17.374 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.065 -16.130 10.771 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.412 -17.607 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.188 -17.546 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.178 -16.110 8.010 1.00 0.00 H new ATOM 553 N CYS A 40 4.830 -17.260 8.520 1.00 0.00 N ATOM 554 CA CYS A 40 3.868 -18.053 7.775 1.00 0.00 C ATOM 555 C CYS A 40 3.043 -17.109 6.899 1.00 0.00 C ATOM 556 O CYS A 40 3.085 -17.199 5.673 1.00 0.00 O ATOM 557 CB CYS A 40 2.984 -18.888 8.704 1.00 0.00 C ATOM 558 SG CYS A 40 2.088 -20.258 7.884 1.00 0.00 S ATOM 0 H CYS A 40 4.853 -17.448 9.522 1.00 0.00 H new ATOM 0 HA CYS A 40 4.394 -18.767 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.605 -19.303 9.498 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.257 -18.230 9.179 1.00 0.00 H new ATOM 563 N ARG A 41 2.312 -16.225 7.561 1.00 0.00 N ATOM 564 CA ARG A 41 1.479 -15.265 6.858 1.00 0.00 C ATOM 565 C ARG A 41 2.291 -14.548 5.777 1.00 0.00 C ATOM 566 O ARG A 41 1.798 -14.319 4.674 1.00 0.00 O ATOM 567 CB ARG A 41 0.899 -14.228 7.822 1.00 0.00 C ATOM 568 CG ARG A 41 -0.472 -14.667 8.340 1.00 0.00 C ATOM 569 CD ARG A 41 -0.992 -13.699 9.404 1.00 0.00 C ATOM 570 NE ARG A 41 -1.189 -12.356 8.815 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.447 -11.252 9.529 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.541 -11.325 10.864 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.612 -10.076 8.909 1.00 0.00 N ATOM 0 H ARG A 41 2.279 -16.153 8.578 1.00 0.00 H new ATOM 0 HA ARG A 41 0.658 -15.814 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.580 -14.085 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.810 -13.266 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.179 -14.716 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.402 -15.671 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.933 -14.067 9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.285 -13.642 10.232 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.124 -12.265 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.416 -12.221 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.737 -10.485 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.541 -10.021 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.808 -9.236 9.453 1.00 0.00 H new ATOM 587 N ARG A 42 3.523 -14.213 6.132 1.00 0.00 N ATOM 588 CA ARG A 42 4.409 -13.528 5.207 1.00 0.00 C ATOM 589 C ARG A 42 4.609 -14.367 3.943 1.00 0.00 C ATOM 590 O ARG A 42 4.345 -13.900 2.836 1.00 0.00 O ATOM 591 CB ARG A 42 5.770 -13.252 5.849 1.00 0.00 C ATOM 592 CG ARG A 42 5.955 -11.759 6.122 1.00 0.00 C ATOM 593 CD ARG A 42 5.460 -11.392 7.523 1.00 0.00 C ATOM 594 NE ARG A 42 6.501 -10.627 8.244 1.00 0.00 N ATOM 595 CZ ARG A 42 6.981 -9.444 7.838 1.00 0.00 C ATOM 596 NH1 ARG A 42 6.516 -8.883 6.714 1.00 0.00 N ATOM 597 NH2 ARG A 42 7.925 -8.822 8.557 1.00 0.00 N ATOM 0 H ARG A 42 3.928 -14.404 7.048 1.00 0.00 H new ATOM 0 HA ARG A 42 3.944 -12.577 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.856 -13.809 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.564 -13.606 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.008 -11.496 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.411 -11.179 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.547 -10.801 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.212 -12.296 8.078 1.00 0.00 H new ATOM 0 HE ARG A 42 6.877 -11.025 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.797 -9.357 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.881 -7.982 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.278 -9.249 9.413 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.291 -7.921 8.248 1.00 0.00 H new ATOM 611 N ASN A 43 5.073 -15.590 4.151 1.00 0.00 N ATOM 612 CA ASN A 43 5.312 -16.498 3.042 1.00 0.00 C ATOM 613 C ASN A 43 3.971 -16.919 2.436 1.00 0.00 C ATOM 614 O ASN A 43 3.918 -17.375 1.295 1.00 0.00 O ATOM 615 CB ASN A 43 6.036 -17.762 3.511 1.00 0.00 C ATOM 616 CG ASN A 43 7.534 -17.677 3.212 1.00 0.00 C ATOM 617 OD1 ASN A 43 7.985 -17.898 2.100 1.00 0.00 O ATOM 618 ND2 ASN A 43 8.278 -17.346 4.264 1.00 0.00 N ATOM 0 H ASN A 43 5.290 -15.974 5.071 1.00 0.00 H new ATOM 0 HA ASN A 43 5.930 -15.980 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.882 -17.898 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.611 -18.634 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.290 -17.264 4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.836 -17.174 5.167 1.00 0.00 H new ATOM 625 N CYS A 44 2.922 -16.751 3.227 1.00 0.00 N ATOM 626 CA CYS A 44 1.585 -17.108 2.783 1.00 0.00 C ATOM 627 C CYS A 44 1.062 -15.986 1.883 1.00 0.00 C ATOM 628 O CYS A 44 0.187 -16.212 1.049 1.00 0.00 O ATOM 629 CB CYS A 44 0.649 -17.376 3.963 1.00 0.00 C ATOM 630 SG CYS A 44 -0.832 -18.370 3.558 1.00 0.00 S ATOM 0 H CYS A 44 2.970 -16.372 4.173 1.00 0.00 H new ATOM 0 HA CYS A 44 1.624 -18.039 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.210 -17.888 4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.326 -16.421 4.376 1.00 0.00 H new ATOM 635 N LYS A 45 1.621 -14.802 2.083 1.00 0.00 N ATOM 636 CA LYS A 45 1.223 -13.644 1.300 1.00 0.00 C ATOM 637 C LYS A 45 1.883 -13.714 -0.078 1.00 0.00 C ATOM 638 O LYS A 45 1.200 -13.684 -1.100 1.00 0.00 O ATOM 639 CB LYS A 45 1.524 -12.353 2.062 1.00 0.00 C ATOM 640 CG LYS A 45 0.682 -11.192 1.529 1.00 0.00 C ATOM 641 CD LYS A 45 0.572 -10.072 2.566 1.00 0.00 C ATOM 642 CE LYS A 45 1.936 -9.430 2.826 1.00 0.00 C ATOM 643 NZ LYS A 45 1.906 -8.638 4.076 1.00 0.00 N ATOM 0 H LYS A 45 2.347 -14.619 2.776 1.00 0.00 H new ATOM 0 HA LYS A 45 0.145 -13.646 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.321 -12.497 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.583 -12.111 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.130 -10.803 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.314 -11.550 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.130 -9.315 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.171 -10.472 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.701 -10.203 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.208 -8.788 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.840 -8.209 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.190 -7.888 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.668 -9.259 4.875 1.00 0.00 H new ATOM 657 N LYS A 46 3.205 -13.806 -0.061 1.00 0.00 N ATOM 658 CA LYS A 46 3.966 -13.880 -1.297 1.00 0.00 C ATOM 659 C LYS A 46 3.751 -15.251 -1.942 1.00 0.00 C ATOM 660 O LYS A 46 4.204 -15.493 -3.059 1.00 0.00 O ATOM 661 CB LYS A 46 5.437 -13.544 -1.042 1.00 0.00 C ATOM 662 CG LYS A 46 5.663 -12.031 -1.051 1.00 0.00 C ATOM 663 CD LYS A 46 6.202 -11.566 -2.406 1.00 0.00 C ATOM 664 CE LYS A 46 7.702 -11.278 -2.330 1.00 0.00 C ATOM 665 NZ LYS A 46 7.945 -9.825 -2.189 1.00 0.00 N ATOM 0 H LYS A 46 3.768 -13.831 0.789 1.00 0.00 H new ATOM 0 HA LYS A 46 3.611 -13.134 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.747 -13.956 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.058 -14.013 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.726 -11.518 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.366 -11.760 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.013 -12.331 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.671 -10.668 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.138 -11.809 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.195 -11.650 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.969 -9.647 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.547 -9.325 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.491 -9.480 -1.319 1.00 0.00 H new ATOM 679 N ALA A 47 3.060 -16.112 -1.209 1.00 0.00 N ATOM 680 CA ALA A 47 2.779 -17.452 -1.696 1.00 0.00 C ATOM 681 C ALA A 47 1.762 -17.373 -2.836 1.00 0.00 C ATOM 682 O ALA A 47 2.061 -17.755 -3.967 1.00 0.00 O ATOM 683 CB ALA A 47 2.291 -18.324 -0.538 1.00 0.00 C ATOM 0 H ALA A 47 2.687 -15.908 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 47 3.683 -17.914 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.080 -19.329 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.062 -18.372 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.383 -17.893 -0.116 1.00 0.00 H new ATOM 689 N ASP A 48 0.581 -16.876 -2.499 1.00 0.00 N ATOM 690 CA ASP A 48 -0.482 -16.743 -3.481 1.00 0.00 C ATOM 691 C ASP A 48 -0.863 -15.267 -3.616 1.00 0.00 C ATOM 692 O ASP A 48 -1.290 -14.828 -4.683 1.00 0.00 O ATOM 693 CB ASP A 48 -1.730 -17.516 -3.049 1.00 0.00 C ATOM 694 CG ASP A 48 -2.331 -17.079 -1.712 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.539 -16.640 -0.850 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.569 -17.193 -1.582 1.00 0.00 O ATOM 0 H ASP A 48 0.337 -16.561 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.119 -17.143 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.490 -17.411 -3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.480 -18.575 -2.989 1.00 0.00 H new ATOM 701 N CYS A 49 -0.695 -14.543 -2.520 1.00 0.00 N ATOM 702 CA CYS A 49 -1.015 -13.126 -2.503 1.00 0.00 C ATOM 703 C CYS A 49 0.176 -12.356 -3.078 1.00 0.00 C ATOM 704 O CYS A 49 0.663 -11.409 -2.463 1.00 0.00 O ATOM 705 CB CYS A 49 -1.380 -12.645 -1.097 1.00 0.00 C ATOM 706 SG CYS A 49 -2.145 -13.916 -0.025 1.00 0.00 S ATOM 0 H CYS A 49 -0.341 -14.911 -1.637 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.896 -12.943 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.478 -12.274 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.066 -11.802 -1.183 1.00 0.00 H new ATOM 711 N GLU A 50 0.610 -12.793 -4.251 1.00 0.00 N ATOM 712 CA GLU A 50 1.735 -12.157 -4.916 1.00 0.00 C ATOM 713 C GLU A 50 1.254 -10.970 -5.754 1.00 0.00 C ATOM 714 O GLU A 50 1.734 -9.850 -5.582 1.00 0.00 O ATOM 715 CB GLU A 50 2.501 -13.162 -5.778 1.00 0.00 C ATOM 716 CG GLU A 50 3.968 -13.246 -5.350 1.00 0.00 C ATOM 717 CD GLU A 50 4.897 -13.205 -6.565 1.00 0.00 C ATOM 718 OE1 GLU A 50 4.891 -12.158 -7.248 1.00 0.00 O ATOM 719 OE2 GLU A 50 5.592 -14.221 -6.782 1.00 0.00 O ATOM 0 H GLU A 50 0.203 -13.579 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 50 2.420 -11.785 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.038 -14.145 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.440 -12.868 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.203 -12.419 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.135 -14.167 -4.791 1.00 0.00 H new ATOM 726 N PRO A 51 0.289 -11.263 -6.666 1.00 0.00 N ATOM 727 CA PRO A 51 -0.262 -10.233 -7.530 1.00 0.00 C ATOM 728 C PRO A 51 -1.218 -9.323 -6.758 1.00 0.00 C ATOM 729 O PRO A 51 -1.236 -8.112 -6.971 1.00 0.00 O ATOM 730 CB PRO A 51 -0.943 -10.990 -8.659 1.00 0.00 C ATOM 731 CG PRO A 51 -1.151 -12.406 -8.146 1.00 0.00 C ATOM 732 CD PRO A 51 -0.302 -12.578 -6.897 1.00 0.00 C ATOM 0 HA PRO A 51 0.501 -9.561 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.894 -10.526 -8.922 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.327 -10.987 -9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.203 -12.579 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.864 -13.133 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.907 -12.895 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.466 -13.337 -7.042 1.00 0.00 H new ATOM 740 N GLN A 52 -1.991 -9.941 -5.877 1.00 0.00 N ATOM 741 CA GLN A 52 -2.948 -9.202 -5.072 1.00 0.00 C ATOM 742 C GLN A 52 -2.231 -8.138 -4.238 1.00 0.00 C ATOM 743 O GLN A 52 -2.687 -6.999 -4.153 1.00 0.00 O ATOM 744 CB GLN A 52 -3.758 -10.144 -4.179 1.00 0.00 C ATOM 745 CG GLN A 52 -4.468 -11.214 -5.012 1.00 0.00 C ATOM 746 CD GLN A 52 -5.184 -12.224 -4.113 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.985 -11.877 -3.262 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.850 -13.490 -4.349 1.00 0.00 N ATOM 0 H GLN A 52 -1.974 -10.946 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.646 -8.701 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.098 -10.621 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.493 -9.572 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.188 -10.741 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.743 -11.731 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.171 -13.711 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.273 -14.240 -3.801 1.00 0.00 H new ATOM 757 N ASP A 53 -1.120 -8.548 -3.643 1.00 0.00 N ATOM 758 CA ASP A 53 -0.336 -7.645 -2.819 1.00 0.00 C ATOM 759 C ASP A 53 0.186 -6.496 -3.684 1.00 0.00 C ATOM 760 O ASP A 53 0.202 -5.345 -3.250 1.00 0.00 O ATOM 761 CB ASP A 53 0.870 -8.363 -2.209 1.00 0.00 C ATOM 762 CG ASP A 53 1.554 -7.617 -1.062 1.00 0.00 C ATOM 763 OD1 ASP A 53 2.250 -6.624 -1.365 1.00 0.00 O ATOM 764 OD2 ASP A 53 1.366 -8.056 0.093 1.00 0.00 O ATOM 0 H ASP A 53 -0.745 -9.494 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.978 -7.275 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.548 -9.339 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.604 -8.541 -2.995 1.00 0.00 H new ATOM 769 N LYS A 54 0.601 -6.848 -4.892 1.00 0.00 N ATOM 770 CA LYS A 54 1.122 -5.860 -5.822 1.00 0.00 C ATOM 771 C LYS A 54 0.036 -4.825 -6.121 1.00 0.00 C ATOM 772 O LYS A 54 0.217 -3.637 -5.859 1.00 0.00 O ATOM 773 CB LYS A 54 1.682 -6.543 -7.071 1.00 0.00 C ATOM 774 CG LYS A 54 3.080 -7.105 -6.809 1.00 0.00 C ATOM 775 CD LYS A 54 3.763 -7.510 -8.117 1.00 0.00 C ATOM 776 CE LYS A 54 5.051 -6.713 -8.333 1.00 0.00 C ATOM 777 NZ LYS A 54 6.138 -7.602 -8.799 1.00 0.00 N ATOM 0 H LYS A 54 0.587 -7.804 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 54 1.960 -5.323 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.015 -7.348 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.722 -5.829 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.685 -6.359 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.010 -7.969 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.990 -8.576 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.084 -7.343 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.879 -5.924 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.345 -6.226 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.005 -7.045 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.313 -8.340 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.862 -8.047 -9.697 1.00 0.00 H new ATOM 791 N VAL A 55 -1.069 -5.313 -6.666 1.00 0.00 N ATOM 792 CA VAL A 55 -2.184 -4.445 -7.004 1.00 0.00 C ATOM 793 C VAL A 55 -2.415 -3.452 -5.863 1.00 0.00 C ATOM 794 O VAL A 55 -2.824 -2.316 -6.098 1.00 0.00 O ATOM 795 CB VAL A 55 -3.422 -5.285 -7.326 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.687 -4.424 -7.310 1.00 0.00 C ATOM 797 CG2 VAL A 55 -3.263 -6.003 -8.667 1.00 0.00 C ATOM 0 H VAL A 55 -1.216 -6.299 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.960 -3.865 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.524 -6.044 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.553 -5.045 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.813 -3.980 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.598 -3.633 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.156 -6.593 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.124 -5.267 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.395 -6.661 -8.627 1.00 0.00 H new ATOM 807 N CYS A 56 -2.143 -3.916 -4.653 1.00 0.00 N ATOM 808 CA CYS A 56 -2.316 -3.083 -3.475 1.00 0.00 C ATOM 809 C CYS A 56 -1.123 -2.130 -3.381 1.00 0.00 C ATOM 810 O CYS A 56 -1.297 -0.913 -3.343 1.00 0.00 O ATOM 811 CB CYS A 56 -2.477 -3.923 -2.206 1.00 0.00 C ATOM 812 SG CYS A 56 -2.651 -2.956 -0.662 1.00 0.00 S ATOM 0 H CYS A 56 -1.804 -4.859 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.235 -2.505 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.353 -4.562 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.613 -4.581 -2.111 1.00 0.00 H new ATOM 817 N ASP A 57 0.063 -2.720 -3.346 1.00 0.00 N ATOM 818 CA ASP A 57 1.285 -1.939 -3.257 1.00 0.00 C ATOM 819 C ASP A 57 1.160 -0.701 -4.147 1.00 0.00 C ATOM 820 O ASP A 57 1.289 0.426 -3.671 1.00 0.00 O ATOM 821 CB ASP A 57 2.492 -2.747 -3.738 1.00 0.00 C ATOM 822 CG ASP A 57 3.835 -2.321 -3.142 1.00 0.00 C ATOM 823 OD1 ASP A 57 3.801 -1.636 -2.097 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.866 -2.690 -3.745 1.00 0.00 O ATOM 0 H ASP A 57 0.204 -3.730 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 57 1.431 -1.660 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.324 -3.798 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.553 -2.670 -4.824 1.00 0.00 H new ATOM 829 N ALA A 58 0.911 -0.952 -5.424 1.00 0.00 N ATOM 830 CA ALA A 58 0.767 0.128 -6.385 1.00 0.00 C ATOM 831 C ALA A 58 -0.085 1.241 -5.771 1.00 0.00 C ATOM 832 O ALA A 58 0.343 2.392 -5.709 1.00 0.00 O ATOM 833 CB ALA A 58 0.166 -0.419 -7.681 1.00 0.00 C ATOM 0 H ALA A 58 0.805 -1.888 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 58 1.739 0.555 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.058 0.391 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.823 -1.185 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.812 -0.853 -7.474 1.00 0.00 H new ATOM 839 N CYS A 59 -1.275 0.858 -5.332 1.00 0.00 N ATOM 840 CA CYS A 59 -2.191 1.809 -4.725 1.00 0.00 C ATOM 841 C CYS A 59 -1.431 2.588 -3.650 1.00 0.00 C ATOM 842 O CYS A 59 -1.343 3.813 -3.711 1.00 0.00 O ATOM 843 CB CYS A 59 -3.432 1.117 -4.159 1.00 0.00 C ATOM 844 SG CYS A 59 -4.753 2.251 -3.594 1.00 0.00 S ATOM 0 H CYS A 59 -1.626 -0.098 -5.385 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.557 2.501 -5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.842 0.456 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.130 0.488 -3.322 1.00 0.00 H new ATOM 849 N ARG A 60 -0.901 1.844 -2.689 1.00 0.00 N ATOM 850 CA ARG A 60 -0.152 2.450 -1.602 1.00 0.00 C ATOM 851 C ARG A 60 0.974 3.326 -2.156 1.00 0.00 C ATOM 852 O ARG A 60 1.285 4.373 -1.591 1.00 0.00 O ATOM 853 CB ARG A 60 0.447 1.382 -0.684 1.00 0.00 C ATOM 854 CG ARG A 60 -0.651 0.528 -0.047 1.00 0.00 C ATOM 855 CD ARG A 60 -0.413 0.360 1.455 1.00 0.00 C ATOM 856 NE ARG A 60 -1.388 -0.601 2.017 1.00 0.00 N ATOM 857 CZ ARG A 60 -1.294 -1.931 1.886 1.00 0.00 C ATOM 858 NH1 ARG A 60 -0.268 -2.466 1.211 1.00 0.00 N ATOM 859 NH2 ARG A 60 -2.226 -2.725 2.430 1.00 0.00 N ATOM 0 H ARG A 60 -0.976 0.828 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.844 3.064 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.123 0.745 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.040 1.859 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.622 0.993 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.679 -0.451 -0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.603 0.007 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.508 1.323 1.957 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.182 -0.227 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.441 -1.861 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.196 -3.479 1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.007 -2.317 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.155 -3.738 2.330 1.00 0.00 H new ATOM 873 N MET A 61 1.553 2.865 -3.255 1.00 0.00 N ATOM 874 CA MET A 61 2.637 3.594 -3.891 1.00 0.00 C ATOM 875 C MET A 61 2.127 4.887 -4.530 1.00 0.00 C ATOM 876 O MET A 61 2.621 5.972 -4.223 1.00 0.00 O ATOM 877 CB MET A 61 3.283 2.714 -4.964 1.00 0.00 C ATOM 878 CG MET A 61 4.069 3.561 -5.967 1.00 0.00 C ATOM 879 SD MET A 61 5.632 2.781 -6.333 1.00 0.00 S ATOM 880 CE MET A 61 5.054 1.262 -7.073 1.00 0.00 C ATOM 0 H MET A 61 1.292 1.996 -3.721 1.00 0.00 H new ATOM 0 HA MET A 61 3.372 3.853 -3.129 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.948 1.990 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.513 2.147 -5.486 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.491 3.684 -6.883 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.237 4.558 -5.560 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.262 0.428 -6.402 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.980 1.328 -7.248 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.567 1.101 -8.021 1.00 0.00 H new ATOM 890 N LYS A 62 1.146 4.730 -5.407 1.00 0.00 N ATOM 891 CA LYS A 62 0.564 5.872 -6.091 1.00 0.00 C ATOM 892 C LYS A 62 -0.030 6.832 -5.058 1.00 0.00 C ATOM 893 O LYS A 62 0.325 8.009 -5.024 1.00 0.00 O ATOM 894 CB LYS A 62 -0.439 5.408 -7.149 1.00 0.00 C ATOM 895 CG LYS A 62 0.218 5.321 -8.528 1.00 0.00 C ATOM 896 CD LYS A 62 0.752 3.912 -8.792 1.00 0.00 C ATOM 897 CE LYS A 62 1.988 3.954 -9.693 1.00 0.00 C ATOM 898 NZ LYS A 62 2.962 2.917 -9.286 1.00 0.00 N ATOM 0 H LYS A 62 0.740 3.829 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 62 1.332 6.424 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.841 4.433 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.280 6.100 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.506 5.590 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.034 6.041 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.003 3.431 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.024 3.307 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.694 3.798 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.452 4.939 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.854 3.371 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.579 2.377 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.138 2.274 -10.084 1.00 0.00 H new ATOM 912 N CYS A 63 -0.924 6.293 -4.243 1.00 0.00 N ATOM 913 CA CYS A 63 -1.571 7.087 -3.212 1.00 0.00 C ATOM 914 C CYS A 63 -0.491 7.857 -2.450 1.00 0.00 C ATOM 915 O CYS A 63 -0.662 9.037 -2.146 1.00 0.00 O ATOM 916 CB CYS A 63 -2.419 6.220 -2.279 1.00 0.00 C ATOM 917 SG CYS A 63 -3.735 7.120 -1.380 1.00 0.00 S ATOM 0 H CYS A 63 -1.216 5.316 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.262 7.793 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.878 5.423 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.762 5.744 -1.551 1.00 0.00 H new ATOM 922 N HIS A 64 0.598 7.159 -2.163 1.00 0.00 N ATOM 923 CA HIS A 64 1.706 7.762 -1.442 1.00 0.00 C ATOM 924 C HIS A 64 2.198 8.998 -2.198 1.00 0.00 C ATOM 925 O HIS A 64 2.241 10.094 -1.642 1.00 0.00 O ATOM 926 CB HIS A 64 2.815 6.738 -1.195 1.00 0.00 C ATOM 927 CG HIS A 64 4.201 7.335 -1.140 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.120 7.191 -2.164 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.813 8.079 -0.174 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.233 7.823 -1.820 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.041 8.372 -0.586 1.00 0.00 N ATOM 0 H HIS A 64 0.737 6.181 -2.417 1.00 0.00 H new ATOM 0 HA HIS A 64 1.369 8.090 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.616 6.221 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.785 5.987 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.374 8.379 0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.133 7.891 -2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.728 8.918 -0.065 1.00 0.00 H new ATOM 939 N LYS A 65 2.555 8.779 -3.455 1.00 0.00 N ATOM 940 CA LYS A 65 3.042 9.862 -4.294 1.00 0.00 C ATOM 941 C LYS A 65 1.920 10.878 -4.510 1.00 0.00 C ATOM 942 O LYS A 65 2.182 12.051 -4.775 1.00 0.00 O ATOM 943 CB LYS A 65 3.630 9.309 -5.594 1.00 0.00 C ATOM 944 CG LYS A 65 3.446 10.301 -6.744 1.00 0.00 C ATOM 945 CD LYS A 65 4.005 9.735 -8.051 1.00 0.00 C ATOM 946 CE LYS A 65 5.529 9.862 -8.096 1.00 0.00 C ATOM 947 NZ LYS A 65 6.059 9.294 -9.355 1.00 0.00 N ATOM 0 H LYS A 65 2.517 7.868 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 65 3.859 10.389 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.691 9.098 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.147 8.364 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.387 10.530 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.949 11.238 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.721 8.687 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.567 10.264 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.815 10.911 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.968 9.344 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.095 9.388 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.802 8.288 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.654 9.806 -10.164 1.00 0.00 H new ATOM 961 N ALA A 66 0.693 10.393 -4.388 1.00 0.00 N ATOM 962 CA ALA A 66 -0.470 11.244 -4.567 1.00 0.00 C ATOM 963 C ALA A 66 -0.627 12.150 -3.344 1.00 0.00 C ATOM 964 O ALA A 66 -0.654 13.373 -3.472 1.00 0.00 O ATOM 965 CB ALA A 66 -1.706 10.376 -4.811 1.00 0.00 C ATOM 0 H ALA A 66 0.479 9.420 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.345 11.886 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.579 11.015 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.556 9.773 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.865 9.720 -3.955 1.00 0.00 H new ATOM 971 N CYS A 67 -0.725 11.515 -2.185 1.00 0.00 N ATOM 972 CA CYS A 67 -0.877 12.248 -0.940 1.00 0.00 C ATOM 973 C CYS A 67 0.365 13.118 -0.739 1.00 0.00 C ATOM 974 O CYS A 67 0.349 14.056 0.057 1.00 0.00 O ATOM 975 CB CYS A 67 -1.113 11.308 0.245 1.00 0.00 C ATOM 976 SG CYS A 67 -1.611 12.140 1.797 1.00 0.00 S ATOM 0 H CYS A 67 -0.702 10.500 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.760 12.885 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.884 10.588 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.200 10.742 0.429 1.00 0.00 H new ATOM 981 N ARG A 68 1.413 12.776 -1.475 1.00 0.00 N ATOM 982 CA ARG A 68 2.661 13.514 -1.388 1.00 0.00 C ATOM 983 C ARG A 68 2.687 14.638 -2.426 1.00 0.00 C ATOM 984 O ARG A 68 3.116 15.752 -2.130 1.00 0.00 O ATOM 985 CB ARG A 68 3.862 12.594 -1.612 1.00 0.00 C ATOM 986 CG ARG A 68 5.174 13.380 -1.556 1.00 0.00 C ATOM 987 CD ARG A 68 5.945 13.255 -2.871 1.00 0.00 C ATOM 988 NE ARG A 68 6.732 12.002 -2.879 1.00 0.00 N ATOM 989 CZ ARG A 68 7.513 11.612 -3.896 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.615 12.374 -4.993 1.00 0.00 N ATOM 991 NH2 ARG A 68 8.191 10.459 -3.816 1.00 0.00 N ATOM 0 H ARG A 68 1.423 11.998 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 68 2.725 13.939 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.871 11.811 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.771 12.100 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.964 14.430 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.788 13.012 -0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.251 13.263 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.608 14.111 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 68 6.677 11.397 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.098 13.251 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.209 12.077 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.113 9.878 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.785 10.162 -4.590 1.00 0.00 H new ATOM 1005 N ALA A 69 2.222 14.306 -3.622 1.00 0.00 N ATOM 1006 CA ALA A 69 2.187 15.273 -4.705 1.00 0.00 C ATOM 1007 C ALA A 69 0.876 16.059 -4.639 1.00 0.00 C ATOM 1008 O ALA A 69 0.604 16.894 -5.500 1.00 0.00 O ATOM 1009 CB ALA A 69 2.366 14.550 -6.042 1.00 0.00 C ATOM 0 H ALA A 69 1.867 13.381 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 69 3.005 15.987 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.340 15.276 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.325 14.031 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.561 13.827 -6.175 1.00 0.00 H new ATOM 1015 N ALA A 70 0.097 15.763 -3.609 1.00 0.00 N ATOM 1016 CA ALA A 70 -1.179 16.432 -3.419 1.00 0.00 C ATOM 1017 C ALA A 70 -1.081 17.378 -2.221 1.00 0.00 C ATOM 1018 O ALA A 70 -0.849 18.574 -2.387 1.00 0.00 O ATOM 1019 CB ALA A 70 -2.283 15.386 -3.248 1.00 0.00 C ATOM 0 H ALA A 70 0.325 15.069 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.431 17.033 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.240 15.887 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.331 14.759 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.065 14.766 -2.378 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.263 16.806 -1.040 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.199 17.583 0.186 1.00 0.00 C ATOM 1027 C ASN A 71 0.124 18.351 0.229 1.00 0.00 C ATOM 1028 O ASN A 71 0.143 19.570 0.062 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.259 16.676 1.417 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.674 16.630 1.996 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.170 17.587 2.569 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.294 15.467 1.816 1.00 0.00 N ATOM 0 H ASN A 71 -1.455 15.813 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.050 18.264 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.940 15.669 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.564 17.039 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.243 15.335 2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.821 14.707 1.327 1.00 0.00 H new ATOM 1039 N CYS A 72 1.197 17.607 0.453 1.00 0.00 N ATOM 1040 CA CYS A 72 2.520 18.203 0.519 1.00 0.00 C ATOM 1041 C CYS A 72 2.781 18.942 -0.795 1.00 0.00 C ATOM 1042 O CYS A 72 2.477 20.128 -0.914 1.00 0.00 O ATOM 1043 CB CYS A 72 3.598 17.156 0.808 1.00 0.00 C ATOM 1044 SG CYS A 72 3.526 16.422 2.483 1.00 0.00 S ATOM 0 H CYS A 72 1.177 16.597 0.591 1.00 0.00 H new ATOM 0 HA CYS A 72 2.561 18.911 1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.514 16.356 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.577 17.615 0.670 1.00 0.00 H new ATOM 1049 N ALA A 73 3.341 18.211 -1.747 1.00 0.00 N ATOM 1050 CA ALA A 73 3.645 18.782 -3.048 1.00 0.00 C ATOM 1051 C ALA A 73 4.919 19.623 -2.945 1.00 0.00 C ATOM 1052 O ALA A 73 5.932 19.301 -3.564 1.00 0.00 O ATOM 1053 CB ALA A 73 2.447 19.597 -3.541 1.00 0.00 C ATOM 0 H ALA A 73 3.592 17.228 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 73 3.827 17.995 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.675 20.025 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.575 18.948 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.236 20.399 -2.833 1.00 0.00 H new ATOM 1059 N SER A 74 4.827 20.685 -2.157 1.00 0.00 N ATOM 1060 CA SER A 74 5.960 21.574 -1.965 1.00 0.00 C ATOM 1061 C SER A 74 6.965 20.942 -1.000 1.00 0.00 C ATOM 1062 O SER A 74 8.131 20.758 -1.345 1.00 0.00 O ATOM 1063 CB SER A 74 5.506 22.938 -1.440 1.00 0.00 C ATOM 1064 OG SER A 74 5.837 23.993 -2.338 1.00 0.00 O ATOM 0 H SER A 74 3.986 20.949 -1.645 1.00 0.00 H new ATOM 0 HA SER A 74 6.441 21.727 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.428 22.924 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.970 23.127 -0.472 1.00 0.00 H new ATOM 0 HG SER A 74 5.529 24.846 -1.968 1.00 0.00 H new ATOM 1070 N GLU A 75 6.475 20.625 0.190 1.00 0.00 N ATOM 1071 CA GLU A 75 7.316 20.017 1.207 1.00 0.00 C ATOM 1072 C GLU A 75 8.004 18.769 0.650 1.00 0.00 C ATOM 1073 O GLU A 75 9.068 18.377 1.127 1.00 0.00 O ATOM 1074 CB GLU A 75 6.505 19.682 2.460 1.00 0.00 C ATOM 1075 CG GLU A 75 6.117 20.953 3.219 1.00 0.00 C ATOM 1076 CD GLU A 75 7.312 21.518 3.989 1.00 0.00 C ATOM 1077 OE1 GLU A 75 7.561 21.009 5.103 1.00 0.00 O ATOM 1078 OE2 GLU A 75 7.950 22.445 3.446 1.00 0.00 O ATOM 0 H GLU A 75 5.507 20.778 0.472 1.00 0.00 H new ATOM 0 HA GLU A 75 8.085 20.735 1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.606 19.133 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.087 19.029 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.745 21.700 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.304 20.734 3.912 1.00 0.00 H new ATOM 1085 N CYS A 76 7.369 18.179 -0.352 1.00 0.00 N ATOM 1086 CA CYS A 76 7.908 16.984 -0.980 1.00 0.00 C ATOM 1087 C CYS A 76 8.323 17.338 -2.409 1.00 0.00 C ATOM 1088 O CYS A 76 7.484 17.394 -3.307 1.00 0.00 O ATOM 1089 CB CYS A 76 6.906 15.828 -0.946 1.00 0.00 C ATOM 1090 SG CYS A 76 6.136 15.527 0.687 1.00 0.00 S ATOM 0 H CYS A 76 6.486 18.506 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 76 8.780 16.639 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.118 16.027 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.412 14.917 -1.267 1.00 0.00 H new ATOM 1095 N PRO A 77 9.652 17.572 -2.580 1.00 0.00 N ATOM 1096 CA PRO A 77 10.189 17.918 -3.885 1.00 0.00 C ATOM 1097 C PRO A 77 10.253 16.690 -4.795 1.00 0.00 C ATOM 1098 O PRO A 77 9.634 15.666 -4.507 1.00 0.00 O ATOM 1099 CB PRO A 77 11.556 18.519 -3.601 1.00 0.00 C ATOM 1100 CG PRO A 77 11.928 18.065 -2.199 1.00 0.00 C ATOM 1101 CD PRO A 77 10.674 17.514 -1.540 1.00 0.00 C ATOM 0 HA PRO A 77 9.561 18.627 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.291 18.178 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.525 19.607 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.705 17.302 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.328 18.898 -1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.826 16.493 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.389 18.108 -0.672 1.00 0.00 H new ATOM 1109 N LYS A 78 11.008 16.832 -5.875 1.00 0.00 N ATOM 1110 CA LYS A 78 11.161 15.746 -6.829 1.00 0.00 C ATOM 1111 C LYS A 78 12.369 14.894 -6.435 1.00 0.00 C ATOM 1112 O LYS A 78 13.296 15.384 -5.792 1.00 0.00 O ATOM 1113 CB LYS A 78 11.234 16.293 -8.256 1.00 0.00 C ATOM 1114 CG LYS A 78 12.517 17.098 -8.470 1.00 0.00 C ATOM 1115 CD LYS A 78 12.958 17.048 -9.934 1.00 0.00 C ATOM 1116 CE LYS A 78 14.374 16.484 -10.061 1.00 0.00 C ATOM 1117 NZ LYS A 78 14.962 16.849 -11.369 1.00 0.00 N ATOM 0 H LYS A 78 11.520 17.682 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 78 10.288 15.093 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.195 15.468 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.367 16.924 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.355 18.133 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.309 16.702 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.264 16.431 -10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.922 18.049 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.999 16.869 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.351 15.399 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.923 16.458 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.374 16.461 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.002 17.885 -11.455 1.00 0.00 H new ATOM 1131 N HIS A 79 12.318 13.632 -6.837 1.00 0.00 N ATOM 1132 CA HIS A 79 13.397 12.707 -6.534 1.00 0.00 C ATOM 1133 C HIS A 79 13.435 12.439 -5.028 1.00 0.00 C ATOM 1134 O HIS A 79 13.165 11.324 -4.585 1.00 0.00 O ATOM 1135 CB HIS A 79 14.729 13.228 -7.078 1.00 0.00 C ATOM 1136 CG HIS A 79 14.810 13.249 -8.585 1.00 0.00 C ATOM 1137 ND1 HIS A 79 15.967 13.582 -9.269 1.00 0.00 N ATOM 1138 CD2 HIS A 79 13.869 12.973 -9.533 1.00 0.00 C ATOM 1139 CE1 HIS A 79 15.720 13.508 -10.568 1.00 0.00 C ATOM 1140 NE2 HIS A 79 14.419 13.131 -10.730 1.00 0.00 N ATOM 0 H HIS A 79 11.547 13.229 -7.369 1.00 0.00 H new ATOM 0 HA HIS A 79 13.216 11.755 -7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.894 14.238 -6.701 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.536 12.607 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.848 12.676 -9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.425 13.711 -11.360 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.947 12.993 -11.624 1.00 0.00 H new ATOM 1148 N GLU A 80 13.774 13.481 -4.282 1.00 0.00 N ATOM 1149 CA GLU A 80 13.851 13.372 -2.836 1.00 0.00 C ATOM 1150 C GLU A 80 12.662 12.573 -2.299 1.00 0.00 C ATOM 1151 O GLU A 80 11.586 13.127 -2.078 1.00 0.00 O ATOM 1152 CB GLU A 80 13.922 14.755 -2.185 1.00 0.00 C ATOM 1153 CG GLU A 80 15.258 14.956 -1.468 1.00 0.00 C ATOM 1154 CD GLU A 80 15.630 16.439 -1.407 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.955 16.987 -2.482 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.581 16.991 -0.287 1.00 0.00 O ATOM 0 H GLU A 80 13.998 14.404 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 80 14.766 12.839 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.794 15.526 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.103 14.869 -1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.197 14.551 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.040 14.402 -1.987 1.00 0.00 H new ATOM 1163 N HIS A 81 12.895 11.283 -2.105 1.00 0.00 N ATOM 1164 CA HIS A 81 11.856 10.403 -1.598 1.00 0.00 C ATOM 1165 C HIS A 81 11.755 10.549 -0.079 1.00 0.00 C ATOM 1166 O HIS A 81 12.704 10.245 0.642 1.00 0.00 O ATOM 1167 CB HIS A 81 12.105 8.959 -2.039 1.00 0.00 C ATOM 1168 CG HIS A 81 13.134 8.231 -1.207 1.00 0.00 C ATOM 1169 ND1 HIS A 81 13.040 6.883 -0.910 1.00 0.00 N ATOM 1170 CD2 HIS A 81 14.278 8.678 -0.614 1.00 0.00 C ATOM 1171 CE1 HIS A 81 14.086 6.544 -0.170 1.00 0.00 C ATOM 1172 NE2 HIS A 81 14.852 7.658 0.013 1.00 0.00 N ATOM 0 H HIS A 81 13.788 10.826 -2.290 1.00 0.00 H new ATOM 0 HA HIS A 81 10.893 10.691 -2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.164 8.410 -1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.428 8.959 -3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.653 9.690 -0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 81 14.295 5.559 0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.722 7.700 0.544 1.00 0.00 H new ATOM 1180 N LYS A 82 10.596 11.016 0.363 1.00 0.00 N ATOM 1181 CA LYS A 82 10.359 11.206 1.783 1.00 0.00 C ATOM 1182 C LYS A 82 11.395 12.183 2.343 1.00 0.00 C ATOM 1183 O LYS A 82 12.224 11.807 3.170 1.00 0.00 O ATOM 1184 CB LYS A 82 10.329 9.859 2.507 1.00 0.00 C ATOM 1185 CG LYS A 82 9.127 9.023 2.063 1.00 0.00 C ATOM 1186 CD LYS A 82 9.555 7.919 1.094 1.00 0.00 C ATOM 1187 CE LYS A 82 10.396 6.859 1.808 1.00 0.00 C ATOM 1188 NZ LYS A 82 10.202 5.533 1.179 1.00 0.00 N ATOM 0 H LYS A 82 9.811 11.268 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 82 9.378 11.652 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.250 9.313 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.285 10.022 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.646 8.580 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.389 9.666 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.673 7.453 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.128 8.352 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.450 7.136 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.117 6.813 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.780 4.825 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.199 5.264 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.491 5.577 0.181 1.00 0.00 H new ATOM 1202 N SER A 83 11.314 13.417 1.869 1.00 0.00 N ATOM 1203 CA SER A 83 12.235 14.451 2.312 1.00 0.00 C ATOM 1204 C SER A 83 12.018 14.743 3.798 1.00 0.00 C ATOM 1205 O SER A 83 10.965 14.427 4.349 1.00 0.00 O ATOM 1206 CB SER A 83 12.066 15.729 1.488 1.00 0.00 C ATOM 1207 OG SER A 83 11.979 16.888 2.313 1.00 0.00 O ATOM 0 H SER A 83 10.625 13.725 1.183 1.00 0.00 H new ATOM 0 HA SER A 83 13.253 14.089 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.908 15.833 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.167 15.650 0.877 1.00 0.00 H new ATOM 0 HG SER A 83 12.034 17.692 1.755 1.00 0.00 H new ATOM 1213 N ASP A 84 13.031 15.345 4.404 1.00 0.00 N ATOM 1214 CA ASP A 84 12.965 15.684 5.815 1.00 0.00 C ATOM 1215 C ASP A 84 11.704 16.510 6.077 1.00 0.00 C ATOM 1216 O ASP A 84 10.881 16.145 6.915 1.00 0.00 O ATOM 1217 CB ASP A 84 14.175 16.519 6.239 1.00 0.00 C ATOM 1218 CG ASP A 84 13.975 17.349 7.508 1.00 0.00 C ATOM 1219 OD1 ASP A 84 14.044 16.742 8.599 1.00 0.00 O ATOM 1220 OD2 ASP A 84 13.758 18.571 7.359 1.00 0.00 O ATOM 0 H ASP A 84 13.902 15.607 3.943 1.00 0.00 H new ATOM 0 HA ASP A 84 12.952 14.755 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.023 15.851 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.439 17.190 5.422 1.00 0.00 H new ATOM 1225 N THR A 85 11.593 17.610 5.346 1.00 0.00 N ATOM 1226 CA THR A 85 10.447 18.491 5.489 1.00 0.00 C ATOM 1227 C THR A 85 9.175 17.795 5.002 1.00 0.00 C ATOM 1228 O THR A 85 8.074 18.132 5.436 1.00 0.00 O ATOM 1229 CB THR A 85 10.754 19.790 4.741 1.00 0.00 C ATOM 1230 OG1 THR A 85 10.042 20.787 5.469 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.124 19.826 3.347 1.00 0.00 C ATOM 0 H THR A 85 12.278 17.911 4.653 1.00 0.00 H new ATOM 0 HA THR A 85 10.265 18.737 6.535 1.00 0.00 H new ATOM 0 HB THR A 85 11.834 19.912 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.080 20.608 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.373 20.769 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.509 18.998 2.752 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.041 19.737 3.435 1.00 0.00 H new ATOM 1239 N CYS A 86 9.368 16.837 4.108 1.00 0.00 N ATOM 1240 CA CYS A 86 8.250 16.091 3.557 1.00 0.00 C ATOM 1241 C CYS A 86 7.682 15.194 4.659 1.00 0.00 C ATOM 1242 O CYS A 86 6.545 15.379 5.090 1.00 0.00 O ATOM 1243 CB CYS A 86 8.660 15.286 2.322 1.00 0.00 C ATOM 1244 SG CYS A 86 7.339 14.232 1.620 1.00 0.00 S ATOM 0 H CYS A 86 10.283 16.560 3.751 1.00 0.00 H new ATOM 0 HA CYS A 86 7.479 16.784 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.002 15.978 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.509 14.654 2.583 1.00 0.00 H new ATOM 1249 N ARG A 87 8.499 14.241 5.083 1.00 0.00 N ATOM 1250 CA ARG A 87 8.092 13.316 6.126 1.00 0.00 C ATOM 1251 C ARG A 87 7.345 14.060 7.235 1.00 0.00 C ATOM 1252 O ARG A 87 6.427 13.514 7.844 1.00 0.00 O ATOM 1253 CB ARG A 87 9.302 12.599 6.729 1.00 0.00 C ATOM 1254 CG ARG A 87 9.933 11.641 5.717 1.00 0.00 C ATOM 1255 CD ARG A 87 10.782 10.581 6.420 1.00 0.00 C ATOM 1256 NE ARG A 87 9.908 9.632 7.146 1.00 0.00 N ATOM 1257 CZ ARG A 87 10.338 8.493 7.706 1.00 0.00 C ATOM 1258 NH1 ARG A 87 11.632 8.154 7.627 1.00 0.00 N ATOM 1259 NH2 ARG A 87 9.473 7.693 8.345 1.00 0.00 N ATOM 0 H ARG A 87 9.441 14.090 4.723 1.00 0.00 H new ATOM 0 HA ARG A 87 7.433 12.576 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.041 13.333 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.996 12.046 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.151 11.156 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.552 12.202 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.387 10.045 5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.472 11.058 7.116 1.00 0.00 H new ATOM 0 HE ARG A 87 8.917 9.859 7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.290 8.763 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.959 7.287 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.488 7.951 8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.800 6.826 8.771 1.00 0.00 H new ATOM 1273 N ALA A 88 7.766 15.295 7.462 1.00 0.00 N ATOM 1274 CA ALA A 88 7.148 16.120 8.486 1.00 0.00 C ATOM 1275 C ALA A 88 5.739 16.514 8.036 1.00 0.00 C ATOM 1276 O ALA A 88 4.783 16.396 8.801 1.00 0.00 O ATOM 1277 CB ALA A 88 8.032 17.337 8.765 1.00 0.00 C ATOM 0 H ALA A 88 8.528 15.745 6.954 1.00 0.00 H new ATOM 0 HA ALA A 88 7.053 15.565 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.568 17.955 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.011 17.004 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.148 17.920 7.851 1.00 0.00 H new ATOM 1283 N CYS A 89 5.656 16.975 6.796 1.00 0.00 N ATOM 1284 CA CYS A 89 4.381 17.388 6.235 1.00 0.00 C ATOM 1285 C CYS A 89 3.443 16.179 6.235 1.00 0.00 C ATOM 1286 O CYS A 89 2.393 16.203 6.877 1.00 0.00 O ATOM 1287 CB CYS A 89 4.545 17.983 4.835 1.00 0.00 C ATOM 1288 SG CYS A 89 3.054 17.880 3.778 1.00 0.00 S ATOM 0 H CYS A 89 6.451 17.071 6.164 1.00 0.00 H new ATOM 0 HA CYS A 89 3.951 18.181 6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.833 19.030 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.366 17.472 4.332 1.00 0.00 H new ATOM 1293 N MET A 90 3.854 15.151 5.509 1.00 0.00 N ATOM 1294 CA MET A 90 3.064 13.935 5.417 1.00 0.00 C ATOM 1295 C MET A 90 2.687 13.420 6.808 1.00 0.00 C ATOM 1296 O MET A 90 1.727 12.664 6.954 1.00 0.00 O ATOM 1297 CB MET A 90 3.862 12.862 4.674 1.00 0.00 C ATOM 1298 CG MET A 90 3.884 13.138 3.170 1.00 0.00 C ATOM 1299 SD MET A 90 4.491 11.705 2.294 1.00 0.00 S ATOM 1300 CE MET A 90 2.944 10.909 1.894 1.00 0.00 C ATOM 0 H MET A 90 4.725 15.135 4.978 1.00 0.00 H new ATOM 0 HA MET A 90 2.147 14.160 4.872 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.882 12.832 5.057 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.423 11.882 4.861 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.881 13.388 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.519 13.999 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.118 9.849 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.251 11.021 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.517 11.370 1.003 1.00 0.00 H new ATOM 1310 N LYS A 91 3.461 13.850 7.793 1.00 0.00 N ATOM 1311 CA LYS A 91 3.220 13.442 9.167 1.00 0.00 C ATOM 1312 C LYS A 91 1.762 13.727 9.531 1.00 0.00 C ATOM 1313 O LYS A 91 1.039 12.830 9.961 1.00 0.00 O ATOM 1314 CB LYS A 91 4.230 14.103 10.107 1.00 0.00 C ATOM 1315 CG LYS A 91 4.390 13.295 11.396 1.00 0.00 C ATOM 1316 CD LYS A 91 5.544 13.836 12.243 1.00 0.00 C ATOM 1317 CE LYS A 91 5.103 15.057 13.053 1.00 0.00 C ATOM 1318 NZ LYS A 91 5.743 15.051 14.387 1.00 0.00 N ATOM 0 H LYS A 91 4.256 14.477 7.667 1.00 0.00 H new ATOM 0 HA LYS A 91 3.372 12.368 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.194 14.191 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.902 15.115 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.464 13.332 11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.572 12.248 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.901 13.058 12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.379 14.106 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.368 15.970 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.019 15.056 13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.434 15.886 14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.469 14.188 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.777 15.074 14.276 1.00 0.00 H new ATOM 1332 N THR A 92 1.373 14.980 9.344 1.00 0.00 N ATOM 1333 CA THR A 92 0.014 15.395 9.648 1.00 0.00 C ATOM 1334 C THR A 92 -0.828 15.438 8.371 1.00 0.00 C ATOM 1335 O THR A 92 -1.935 14.903 8.335 1.00 0.00 O ATOM 1336 CB THR A 92 0.081 16.738 10.376 1.00 0.00 C ATOM 1337 OG1 THR A 92 0.391 16.388 11.723 1.00 0.00 O ATOM 1338 CG2 THR A 92 -1.284 17.421 10.474 1.00 0.00 C ATOM 0 H THR A 92 1.975 15.721 8.986 1.00 0.00 H new ATOM 0 HA THR A 92 -0.481 14.678 10.303 1.00 0.00 H new ATOM 0 HB THR A 92 0.779 17.396 9.859 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.455 17.201 12.266 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.179 18.370 11.000 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.673 17.602 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.974 16.778 11.020 1.00 0.00 H new ATOM 1346 N ASN A 93 -0.271 16.079 7.354 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.957 16.199 6.079 1.00 0.00 C ATOM 1348 C ASN A 93 -1.431 14.816 5.628 1.00 0.00 C ATOM 1349 O ASN A 93 -2.501 14.685 5.034 1.00 0.00 O ATOM 1350 CB ASN A 93 -0.023 16.753 5.001 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.087 18.281 4.953 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.533 18.879 3.988 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.383 18.876 6.045 1.00 0.00 N ATOM 0 H ASN A 93 0.648 16.521 7.387 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.798 16.879 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.000 16.434 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.299 16.343 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.384 19.894 6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.742 18.315 6.817 1.00 0.00 H new ATOM 1360 N CYS A 94 -0.612 13.818 5.927 1.00 0.00 N ATOM 1361 CA CYS A 94 -0.935 12.450 5.560 1.00 0.00 C ATOM 1362 C CYS A 94 -0.726 11.561 6.787 1.00 0.00 C ATOM 1363 O CYS A 94 -1.002 11.975 7.912 1.00 0.00 O ATOM 1364 CB CYS A 94 -0.107 11.975 4.364 1.00 0.00 C ATOM 1365 SG CYS A 94 -0.952 10.771 3.275 1.00 0.00 S ATOM 0 H CYS A 94 0.274 13.930 6.419 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.977 12.392 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.178 12.843 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.814 11.525 4.734 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.241 10.355 6.530 1.00 0.00 N ATOM 1371 CA LYS A 95 0.008 9.405 7.600 1.00 0.00 C ATOM 1372 C LYS A 95 1.406 9.642 8.173 1.00 0.00 C ATOM 1373 O LYS A 95 1.692 10.718 8.696 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.220 7.973 7.109 1.00 0.00 C ATOM 1375 CG LYS A 95 0.206 6.956 8.169 1.00 0.00 C ATOM 1376 CD LYS A 95 -1.013 6.288 8.810 1.00 0.00 C ATOM 1377 CE LYS A 95 -1.033 6.519 10.322 1.00 0.00 C ATOM 1378 NZ LYS A 95 -1.330 5.256 11.035 1.00 0.00 N ATOM 0 H LYS A 95 -0.014 10.014 5.596 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.700 9.556 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.273 7.831 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.344 7.805 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.844 6.198 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.799 7.453 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.926 6.686 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.997 5.218 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.070 6.910 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.783 7.269 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.340 5.430 12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.260 4.899 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.599 4.551 10.811 1.00 0.00 H new TER 1392 LYS A 95