USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 436 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 44 ASN : amide:sc= -0.266 K(o=0.54,f=-1.6!) USER MOD Set 1.2: A 47 THR OG1 : rot 79:sc= 0.805 USER MOD Set 2.1: A 32 THR OG1 : rot 130:sc= 0.457 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0.336 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.137 K(o=0.81,f=-3.6!) USER MOD Set 3.2: A 20 GLN : amide:sc= 0.672 K(o=0.81,f=-2.5!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0571 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot -114:sc= 2.13 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc=-0.00937 (180deg=-0.107) USER MOD Single : A 16 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.044) USER MOD Single : A 23 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.058) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.027) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0.473 (180deg=0.332) USER MOD Single : A 31 ASN : amide:sc= 0.799 K(o=0.8,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0396) USER MOD Single : A 40 GLN : amide:sc= -0.837 X(o=-0.84,f=-0.84) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.980 -21.859 -5.235 1.00 0.00 N ATOM 2 CA ALA A 1 -11.356 -20.909 -4.173 1.00 0.00 C ATOM 3 C ALA A 1 -12.623 -20.132 -4.532 1.00 0.00 C ATOM 4 O ALA A 1 -12.960 -20.001 -5.708 1.00 0.00 O ATOM 5 CB ALA A 1 -10.204 -19.944 -3.878 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.091 -22.832 -4.886 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.594 -21.716 -6.062 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.989 -21.700 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.566 -21.490 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.502 -19.251 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.331 -20.509 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.958 -19.384 -4.780 1.00 0.00 H new ATOM 13 N ARG A 2 -13.312 -19.608 -3.512 1.00 0.00 N ATOM 14 CA ARG A 2 -14.474 -18.745 -3.685 1.00 0.00 C ATOM 15 C ARG A 2 -14.058 -17.470 -4.417 1.00 0.00 C ATOM 16 O ARG A 2 -14.634 -17.123 -5.447 1.00 0.00 O ATOM 17 CB ARG A 2 -15.074 -18.391 -2.317 1.00 0.00 C ATOM 18 CG ARG A 2 -15.704 -19.609 -1.630 1.00 0.00 C ATOM 19 CD ARG A 2 -16.188 -19.255 -0.219 1.00 0.00 C ATOM 20 NE ARG A 2 -17.126 -18.123 -0.219 1.00 0.00 N ATOM 21 CZ ARG A 2 -18.420 -18.180 -0.577 1.00 0.00 C ATOM 22 NH1 ARG A 2 -18.980 -19.333 -0.969 1.00 0.00 N ATOM 23 NH2 ARG A 2 -19.162 -17.065 -0.541 1.00 0.00 N ATOM 0 H ARG A 2 -13.072 -19.776 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 2 -15.227 -19.270 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.295 -17.977 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.829 -17.615 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.542 -19.974 -2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -14.975 -20.418 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -16.672 -20.125 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.329 -19.013 0.407 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.764 -17.217 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -18.422 -20.186 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.964 -19.357 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.744 -16.183 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.145 -17.098 -0.811 1.00 0.00 H new ATOM 37 N GLN A 3 -13.052 -16.782 -3.866 1.00 0.00 N ATOM 38 CA GLN A 3 -12.470 -15.566 -4.407 1.00 0.00 C ATOM 39 C GLN A 3 -10.971 -15.579 -4.114 1.00 0.00 C ATOM 40 O GLN A 3 -10.525 -16.262 -3.193 1.00 0.00 O ATOM 41 CB GLN A 3 -13.091 -14.336 -3.731 1.00 0.00 C ATOM 42 CG GLN A 3 -14.602 -14.197 -3.948 1.00 0.00 C ATOM 43 CD GLN A 3 -15.139 -12.962 -3.229 1.00 0.00 C ATOM 44 OE1 GLN A 3 -15.818 -13.080 -2.211 1.00 0.00 O ATOM 45 NE2 GLN A 3 -14.835 -11.773 -3.752 1.00 0.00 N ATOM 0 H GLN A 3 -12.609 -17.076 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.658 -15.519 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.892 -14.384 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.597 -13.440 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.816 -14.125 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.111 -15.088 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.269 -11.718 -4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.169 -10.919 -3.305 1.00 0.00 H new ATOM 54 N GLU A 4 -10.204 -14.799 -4.882 1.00 0.00 N ATOM 55 CA GLU A 4 -8.801 -14.536 -4.588 1.00 0.00 C ATOM 56 C GLU A 4 -8.683 -13.644 -3.354 1.00 0.00 C ATOM 57 O GLU A 4 -7.784 -13.820 -2.535 1.00 0.00 O ATOM 58 CB GLU A 4 -8.107 -13.905 -5.803 1.00 0.00 C ATOM 59 CG GLU A 4 -8.206 -14.781 -7.059 1.00 0.00 C ATOM 60 CD GLU A 4 -7.638 -16.179 -6.828 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.393 -16.292 -6.812 1.00 0.00 O ATOM 62 OE2 GLU A 4 -8.459 -17.110 -6.670 1.00 0.00 O ATOM 0 H GLU A 4 -10.543 -14.334 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.299 -15.480 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.553 -12.932 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.057 -13.731 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.249 -14.860 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.669 -14.302 -7.878 1.00 0.00 H new ATOM 69 N ASN A 5 -9.625 -12.705 -3.241 1.00 0.00 N ATOM 70 CA ASN A 5 -9.828 -11.815 -2.110 1.00 0.00 C ATOM 71 C ASN A 5 -11.213 -12.097 -1.513 1.00 0.00 C ATOM 72 O ASN A 5 -12.176 -11.417 -1.867 1.00 0.00 O ATOM 73 CB ASN A 5 -9.683 -10.361 -2.586 1.00 0.00 C ATOM 74 CG ASN A 5 -9.833 -9.352 -1.446 1.00 0.00 C ATOM 75 OD1 ASN A 5 -8.860 -9.011 -0.778 1.00 0.00 O ATOM 76 ND2 ASN A 5 -11.055 -8.862 -1.227 1.00 0.00 N ATOM 0 H ASN A 5 -10.304 -12.541 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.083 -11.982 -1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.708 -10.232 -3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.434 -10.156 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.205 -8.180 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.839 -9.170 -1.803 1.00 0.00 H new ATOM 83 N PRO A 6 -11.344 -13.091 -0.615 1.00 0.00 N ATOM 84 CA PRO A 6 -12.600 -13.425 0.042 1.00 0.00 C ATOM 85 C PRO A 6 -12.815 -12.486 1.235 1.00 0.00 C ATOM 86 O PRO A 6 -12.929 -12.931 2.376 1.00 0.00 O ATOM 87 CB PRO A 6 -12.430 -14.890 0.456 1.00 0.00 C ATOM 88 CG PRO A 6 -10.946 -14.958 0.814 1.00 0.00 C ATOM 89 CD PRO A 6 -10.301 -14.023 -0.210 1.00 0.00 C ATOM 0 HA PRO A 6 -13.480 -13.304 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.065 -15.149 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.685 -15.574 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.762 -14.626 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.558 -15.973 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.452 -13.494 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.924 -14.582 -1.066 1.00 0.00 H new ATOM 97 N CYS A 7 -12.855 -11.178 0.959 1.00 0.00 N ATOM 98 CA CYS A 7 -12.914 -10.120 1.957 1.00 0.00 C ATOM 99 C CYS A 7 -13.678 -8.925 1.393 1.00 0.00 C ATOM 100 O CYS A 7 -13.947 -8.856 0.194 1.00 0.00 O ATOM 101 CB CYS A 7 -11.494 -9.674 2.321 1.00 0.00 C ATOM 102 SG CYS A 7 -10.426 -10.904 3.105 1.00 0.00 S ATOM 0 H CYS A 7 -12.847 -10.822 0.003 1.00 0.00 H new ATOM 0 HA CYS A 7 -13.421 -10.497 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.003 -9.329 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -11.569 -8.815 2.988 1.00 0.00 H new ATOM 107 N GLY A 8 -13.999 -7.976 2.278 1.00 0.00 N ATOM 108 CA GLY A 8 -14.595 -6.699 1.931 1.00 0.00 C ATOM 109 C GLY A 8 -13.507 -5.632 1.791 1.00 0.00 C ATOM 110 O GLY A 8 -12.318 -5.940 1.887 1.00 0.00 O ATOM 0 H GLY A 8 -13.844 -8.086 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.149 -6.789 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.310 -6.402 2.698 1.00 0.00 H new ATOM 114 N PRO A 9 -13.905 -4.372 1.565 1.00 0.00 N ATOM 115 CA PRO A 9 -12.994 -3.249 1.447 1.00 0.00 C ATOM 116 C PRO A 9 -12.539 -2.790 2.833 1.00 0.00 C ATOM 117 O PRO A 9 -13.278 -2.921 3.808 1.00 0.00 O ATOM 118 CB PRO A 9 -13.814 -2.156 0.762 1.00 0.00 C ATOM 119 CG PRO A 9 -15.233 -2.418 1.269 1.00 0.00 C ATOM 120 CD PRO A 9 -15.282 -3.943 1.393 1.00 0.00 C ATOM 0 HA PRO A 9 -12.093 -3.500 0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.466 -1.160 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.754 -2.228 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.415 -1.930 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.985 -2.046 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.895 -4.247 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.723 -4.393 0.504 1.00 0.00 H new ATOM 128 N CYS A 10 -11.328 -2.229 2.914 1.00 0.00 N ATOM 129 CA CYS A 10 -10.846 -1.573 4.125 1.00 0.00 C ATOM 130 C CYS A 10 -11.527 -0.211 4.280 1.00 0.00 C ATOM 131 O CYS A 10 -11.839 0.210 5.392 1.00 0.00 O ATOM 132 CB CYS A 10 -9.326 -1.388 4.069 1.00 0.00 C ATOM 133 SG CYS A 10 -8.361 -2.865 3.651 1.00 0.00 S ATOM 0 H CYS A 10 -10.660 -2.219 2.143 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.089 -2.201 4.982 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.101 -0.612 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.989 -1.020 5.038 1.00 0.00 H new ATOM 138 N SER A 11 -11.733 0.476 3.150 1.00 0.00 N ATOM 139 CA SER A 11 -12.233 1.839 3.068 1.00 0.00 C ATOM 140 C SER A 11 -13.728 1.931 3.376 1.00 0.00 C ATOM 141 O SER A 11 -14.379 0.931 3.678 1.00 0.00 O ATOM 142 CB SER A 11 -11.940 2.365 1.658 1.00 0.00 C ATOM 143 OG SER A 11 -10.623 2.020 1.299 1.00 0.00 O ATOM 0 H SER A 11 -11.545 0.073 2.232 1.00 0.00 H new ATOM 0 HA SER A 11 -11.730 2.446 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.647 1.941 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.066 3.447 1.627 1.00 0.00 H new ATOM 0 HG SER A 11 -10.082 2.833 1.217 1.00 0.00 H new ATOM 149 N GLU A 12 -14.265 3.154 3.283 1.00 0.00 N ATOM 150 CA GLU A 12 -15.665 3.459 3.543 1.00 0.00 C ATOM 151 C GLU A 12 -16.593 2.655 2.629 1.00 0.00 C ATOM 152 O GLU A 12 -17.611 2.140 3.087 1.00 0.00 O ATOM 153 CB GLU A 12 -15.922 4.965 3.368 1.00 0.00 C ATOM 154 CG GLU A 12 -14.946 5.860 4.146 1.00 0.00 C ATOM 155 CD GLU A 12 -14.834 5.465 5.615 1.00 0.00 C ATOM 156 OE1 GLU A 12 -15.859 5.591 6.318 1.00 0.00 O ATOM 157 OE2 GLU A 12 -13.723 5.050 6.011 1.00 0.00 O ATOM 0 H GLU A 12 -13.719 3.974 3.018 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.883 3.176 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.860 5.213 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.939 5.189 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.961 5.806 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.275 6.897 4.076 1.00 0.00 H new ATOM 164 N ARG A 13 -16.239 2.557 1.340 1.00 0.00 N ATOM 165 CA ARG A 13 -16.985 1.814 0.336 1.00 0.00 C ATOM 166 C ARG A 13 -15.979 1.134 -0.584 1.00 0.00 C ATOM 167 O ARG A 13 -15.007 0.549 -0.112 1.00 0.00 O ATOM 168 CB ARG A 13 -17.900 2.756 -0.461 1.00 0.00 C ATOM 169 CG ARG A 13 -18.977 3.403 0.419 1.00 0.00 C ATOM 170 CD ARG A 13 -19.941 4.234 -0.431 1.00 0.00 C ATOM 171 NE ARG A 13 -20.967 4.868 0.407 1.00 0.00 N ATOM 172 CZ ARG A 13 -21.948 5.662 -0.053 1.00 0.00 C ATOM 173 NH1 ARG A 13 -22.053 5.936 -1.361 1.00 0.00 N ATOM 174 NH2 ARG A 13 -22.831 6.187 0.807 1.00 0.00 N ATOM 0 H ARG A 13 -15.404 3.007 0.966 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.621 1.068 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.298 3.536 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -18.378 2.199 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -19.529 2.630 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.507 4.037 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.386 4.999 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.417 3.596 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.932 4.693 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.383 5.540 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -22.803 6.540 -1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.756 5.983 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.579 6.791 0.465 1.00 0.00 H new ATOM 188 N ARG A 14 -16.208 1.228 -1.897 1.00 0.00 N ATOM 189 CA ARG A 14 -15.314 0.674 -2.903 1.00 0.00 C ATOM 190 C ARG A 14 -13.949 1.363 -2.816 1.00 0.00 C ATOM 191 O ARG A 14 -13.833 2.548 -3.125 1.00 0.00 O ATOM 192 CB ARG A 14 -15.926 0.852 -4.297 1.00 0.00 C ATOM 193 CG ARG A 14 -17.195 0.009 -4.479 1.00 0.00 C ATOM 194 CD ARG A 14 -17.737 0.151 -5.904 1.00 0.00 C ATOM 195 NE ARG A 14 -18.184 1.524 -6.175 1.00 0.00 N ATOM 196 CZ ARG A 14 -18.500 2.004 -7.389 1.00 0.00 C ATOM 197 NH1 ARG A 14 -18.435 1.223 -8.477 1.00 0.00 N ATOM 198 NH2 ARG A 14 -18.884 3.281 -7.515 1.00 0.00 N ATOM 0 H ARG A 14 -17.026 1.695 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.176 -0.392 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.163 1.904 -4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.193 0.572 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.975 -1.038 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.953 0.325 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.963 -0.129 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.568 -0.539 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.260 2.161 -5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.142 0.250 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.678 1.602 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.935 3.882 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.126 3.653 -8.434 1.00 0.00 H new ATOM 212 N LYS A 15 -12.934 0.607 -2.380 1.00 0.00 N ATOM 213 CA LYS A 15 -11.564 1.056 -2.154 1.00 0.00 C ATOM 214 C LYS A 15 -10.802 1.305 -3.469 1.00 0.00 C ATOM 215 O LYS A 15 -9.793 0.666 -3.756 1.00 0.00 O ATOM 216 CB LYS A 15 -10.878 0.086 -1.166 1.00 0.00 C ATOM 217 CG LYS A 15 -10.367 -1.276 -1.674 1.00 0.00 C ATOM 218 CD LYS A 15 -11.338 -2.038 -2.586 1.00 0.00 C ATOM 219 CE LYS A 15 -10.780 -3.408 -2.988 1.00 0.00 C ATOM 220 NZ LYS A 15 -9.538 -3.293 -3.772 1.00 0.00 N ATOM 0 H LYS A 15 -13.057 -0.383 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.564 2.040 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.029 0.611 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.583 -0.110 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.434 -1.118 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.134 -1.903 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.291 -2.169 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.535 -1.448 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.589 -3.998 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.527 -3.946 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.279 -4.226 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.684 -2.628 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.773 -2.943 -3.161 1.00 0.00 H new ATOM 234 N HIS A 16 -11.287 2.256 -4.277 1.00 0.00 N ATOM 235 CA HIS A 16 -10.731 2.589 -5.583 1.00 0.00 C ATOM 236 C HIS A 16 -9.280 3.058 -5.469 1.00 0.00 C ATOM 237 O HIS A 16 -8.406 2.546 -6.167 1.00 0.00 O ATOM 238 CB HIS A 16 -11.584 3.675 -6.249 1.00 0.00 C ATOM 239 CG HIS A 16 -13.008 3.264 -6.524 1.00 0.00 C ATOM 240 ND1 HIS A 16 -14.093 4.009 -6.088 1.00 0.00 N ATOM 241 CD2 HIS A 16 -13.549 2.215 -7.228 1.00 0.00 C ATOM 242 CE1 HIS A 16 -15.201 3.411 -6.556 1.00 0.00 C ATOM 243 NE2 HIS A 16 -14.937 2.306 -7.256 1.00 0.00 N ATOM 0 H HIS A 16 -12.096 2.826 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.744 1.688 -6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.590 4.558 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.114 3.964 -7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.976 1.428 -7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.200 3.785 -6.384 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.599 1.675 -7.707 1.00 0.00 H new ATOM 251 N LEU A 17 -9.026 4.032 -4.587 1.00 0.00 N ATOM 252 CA LEU A 17 -7.726 4.675 -4.430 1.00 0.00 C ATOM 253 C LEU A 17 -6.824 3.891 -3.465 1.00 0.00 C ATOM 254 O LEU A 17 -6.025 4.483 -2.741 1.00 0.00 O ATOM 255 CB LEU A 17 -7.946 6.129 -3.978 1.00 0.00 C ATOM 256 CG LEU A 17 -8.890 6.924 -4.902 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.006 8.366 -4.402 1.00 0.00 C ATOM 258 CD2 LEU A 17 -8.401 6.942 -6.357 1.00 0.00 C ATOM 0 H LEU A 17 -9.735 4.399 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.202 4.682 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.355 6.129 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.983 6.637 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.860 6.427 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.674 8.926 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.406 8.368 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.021 8.832 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.099 7.514 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.415 7.404 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.341 5.921 -6.733 1.00 0.00 H new ATOM 270 N PHE A 18 -6.955 2.556 -3.460 1.00 0.00 N ATOM 271 CA PHE A 18 -6.270 1.651 -2.551 1.00 0.00 C ATOM 272 C PHE A 18 -5.915 0.366 -3.296 1.00 0.00 C ATOM 273 O PHE A 18 -6.683 -0.095 -4.139 1.00 0.00 O ATOM 274 CB PHE A 18 -7.181 1.281 -1.372 1.00 0.00 C ATOM 275 CG PHE A 18 -7.644 2.413 -0.471 1.00 0.00 C ATOM 276 CD1 PHE A 18 -8.677 3.272 -0.891 1.00 0.00 C ATOM 277 CD2 PHE A 18 -7.178 2.492 0.855 1.00 0.00 C ATOM 278 CE1 PHE A 18 -9.151 4.282 -0.037 1.00 0.00 C ATOM 279 CE2 PHE A 18 -7.679 3.478 1.723 1.00 0.00 C ATOM 280 CZ PHE A 18 -8.632 4.403 1.264 1.00 0.00 C ATOM 0 H PHE A 18 -7.565 2.068 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.373 2.147 -2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.065 0.784 -1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.656 0.551 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.107 3.154 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.433 1.793 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.914 4.965 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.331 3.525 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.964 5.204 1.908 1.00 0.00 H new ATOM 290 N VAL A 19 -4.762 -0.216 -2.952 1.00 0.00 N ATOM 291 CA VAL A 19 -4.339 -1.540 -3.378 1.00 0.00 C ATOM 292 C VAL A 19 -4.492 -2.482 -2.181 1.00 0.00 C ATOM 293 O VAL A 19 -3.799 -2.324 -1.177 1.00 0.00 O ATOM 294 CB VAL A 19 -2.903 -1.506 -3.945 1.00 0.00 C ATOM 295 CG1 VAL A 19 -2.929 -1.006 -5.393 1.00 0.00 C ATOM 296 CG2 VAL A 19 -1.926 -0.621 -3.154 1.00 0.00 C ATOM 0 H VAL A 19 -4.079 0.243 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.961 -1.906 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.540 -2.531 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.914 -0.984 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.540 -1.676 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.352 -0.002 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.942 -0.656 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.289 0.407 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.853 -0.985 -2.129 1.00 0.00 H new ATOM 306 N GLN A 20 -5.418 -3.447 -2.290 1.00 0.00 N ATOM 307 CA GLN A 20 -5.727 -4.419 -1.249 1.00 0.00 C ATOM 308 C GLN A 20 -5.027 -5.740 -1.559 1.00 0.00 C ATOM 309 O GLN A 20 -5.213 -6.299 -2.640 1.00 0.00 O ATOM 310 CB GLN A 20 -7.249 -4.594 -1.131 1.00 0.00 C ATOM 311 CG GLN A 20 -7.612 -5.567 0.004 1.00 0.00 C ATOM 312 CD GLN A 20 -9.090 -5.508 0.399 1.00 0.00 C ATOM 313 OE1 GLN A 20 -9.702 -4.443 0.390 1.00 0.00 O ATOM 314 NE2 GLN A 20 -9.676 -6.650 0.760 1.00 0.00 N ATOM 0 H GLN A 20 -5.983 -3.570 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.361 -4.062 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.716 -3.626 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.649 -4.966 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.365 -6.583 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.000 -5.341 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.143 -7.520 0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.657 -6.654 1.038 1.00 0.00 H new ATOM 323 N ASP A 21 -4.229 -6.240 -0.608 1.00 0.00 N ATOM 324 CA ASP A 21 -3.557 -7.525 -0.729 1.00 0.00 C ATOM 325 C ASP A 21 -4.616 -8.634 -0.712 1.00 0.00 C ATOM 326 O ASP A 21 -5.439 -8.653 0.198 1.00 0.00 O ATOM 327 CB ASP A 21 -2.570 -7.696 0.431 1.00 0.00 C ATOM 328 CG ASP A 21 -1.793 -9.006 0.319 1.00 0.00 C ATOM 329 OD1 ASP A 21 -2.366 -10.049 0.700 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.638 -8.943 -0.154 1.00 0.00 O ATOM 0 H ASP A 21 -4.035 -5.757 0.269 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.999 -7.578 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.873 -6.858 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.111 -7.673 1.377 1.00 0.00 H new ATOM 335 N PRO A 22 -4.630 -9.557 -1.686 1.00 0.00 N ATOM 336 CA PRO A 22 -5.693 -10.541 -1.818 1.00 0.00 C ATOM 337 C PRO A 22 -5.709 -11.564 -0.676 1.00 0.00 C ATOM 338 O PRO A 22 -6.776 -12.056 -0.320 1.00 0.00 O ATOM 339 CB PRO A 22 -5.479 -11.193 -3.187 1.00 0.00 C ATOM 340 CG PRO A 22 -3.983 -11.022 -3.438 1.00 0.00 C ATOM 341 CD PRO A 22 -3.673 -9.682 -2.773 1.00 0.00 C ATOM 0 HA PRO A 22 -6.672 -10.067 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.766 -12.244 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.073 -10.706 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.405 -11.834 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.752 -11.007 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.649 -9.657 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.774 -8.860 -3.481 1.00 0.00 H new ATOM 349 N GLN A 23 -4.547 -11.887 -0.095 1.00 0.00 N ATOM 350 CA GLN A 23 -4.423 -12.965 0.879 1.00 0.00 C ATOM 351 C GLN A 23 -4.668 -12.462 2.303 1.00 0.00 C ATOM 352 O GLN A 23 -5.341 -13.142 3.075 1.00 0.00 O ATOM 353 CB GLN A 23 -3.036 -13.617 0.769 1.00 0.00 C ATOM 354 CG GLN A 23 -2.717 -14.157 -0.633 1.00 0.00 C ATOM 355 CD GLN A 23 -3.724 -15.201 -1.112 1.00 0.00 C ATOM 356 OE1 GLN A 23 -3.541 -16.394 -0.879 1.00 0.00 O ATOM 357 NE2 GLN A 23 -4.788 -14.762 -1.787 1.00 0.00 N ATOM 0 H GLN A 23 -3.670 -11.405 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.186 -13.712 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.277 -12.886 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.971 -14.434 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.697 -13.328 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.720 -14.597 -0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.905 -13.764 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.484 -15.425 -2.129 1.00 0.00 H new ATOM 366 N THR A 24 -4.133 -11.285 2.650 1.00 0.00 N ATOM 367 CA THR A 24 -4.212 -10.734 4.000 1.00 0.00 C ATOM 368 C THR A 24 -5.334 -9.698 4.118 1.00 0.00 C ATOM 369 O THR A 24 -5.761 -9.400 5.232 1.00 0.00 O ATOM 370 CB THR A 24 -2.859 -10.128 4.403 1.00 0.00 C ATOM 371 OG1 THR A 24 -2.526 -9.036 3.572 1.00 0.00 O ATOM 372 CG2 THR A 24 -1.734 -11.167 4.336 1.00 0.00 C ATOM 0 H THR A 24 -3.630 -10.687 1.994 1.00 0.00 H new ATOM 0 HA THR A 24 -4.449 -11.547 4.686 1.00 0.00 H new ATOM 0 HB THR A 24 -2.961 -9.784 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.662 -8.666 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.792 -10.703 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.958 -11.990 5.014 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.651 -11.548 3.318 1.00 0.00 H new ATOM 380 N CYS A 25 -5.807 -9.148 2.990 1.00 0.00 N ATOM 381 CA CYS A 25 -6.902 -8.183 2.929 1.00 0.00 C ATOM 382 C CYS A 25 -6.564 -6.877 3.654 1.00 0.00 C ATOM 383 O CYS A 25 -7.457 -6.163 4.105 1.00 0.00 O ATOM 384 CB CYS A 25 -8.214 -8.840 3.375 1.00 0.00 C ATOM 385 SG CYS A 25 -8.579 -10.345 2.433 1.00 0.00 S ATOM 0 H CYS A 25 -5.424 -9.372 2.072 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.050 -7.879 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.155 -9.083 4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.033 -8.131 3.255 1.00 0.00 H new ATOM 390 N LYS A 26 -5.264 -6.566 3.740 1.00 0.00 N ATOM 391 CA LYS A 26 -4.734 -5.305 4.232 1.00 0.00 C ATOM 392 C LYS A 26 -4.591 -4.360 3.042 1.00 0.00 C ATOM 393 O LYS A 26 -4.152 -4.789 1.974 1.00 0.00 O ATOM 394 CB LYS A 26 -3.372 -5.538 4.898 1.00 0.00 C ATOM 395 CG LYS A 26 -3.497 -6.419 6.149 1.00 0.00 C ATOM 396 CD LYS A 26 -2.131 -6.770 6.757 1.00 0.00 C ATOM 397 CE LYS A 26 -1.300 -5.552 7.183 1.00 0.00 C ATOM 398 NZ LYS A 26 -2.026 -4.689 8.130 1.00 0.00 N ATOM 0 H LYS A 26 -4.531 -7.216 3.456 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.404 -4.871 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.695 -6.010 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.931 -4.579 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.102 -5.903 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.024 -7.338 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.286 -7.411 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.561 -7.349 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.371 -5.890 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.028 -4.973 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.409 -3.907 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.874 -4.304 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.308 -5.246 8.962 1.00 0.00 H new ATOM 412 N CYS A 27 -4.961 -3.087 3.224 1.00 0.00 N ATOM 413 CA CYS A 27 -4.926 -2.082 2.170 1.00 0.00 C ATOM 414 C CYS A 27 -3.811 -1.070 2.407 1.00 0.00 C ATOM 415 O CYS A 27 -3.442 -0.794 3.548 1.00 0.00 O ATOM 416 CB CYS A 27 -6.270 -1.358 2.072 1.00 0.00 C ATOM 417 SG CYS A 27 -7.699 -2.421 1.766 1.00 0.00 S ATOM 0 H CYS A 27 -5.296 -2.728 4.118 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.729 -2.598 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.437 -0.810 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.209 -0.620 1.272 1.00 0.00 H new ATOM 422 N SER A 28 -3.302 -0.506 1.307 1.00 0.00 N ATOM 423 CA SER A 28 -2.391 0.626 1.306 1.00 0.00 C ATOM 424 C SER A 28 -2.852 1.582 0.212 1.00 0.00 C ATOM 425 O SER A 28 -3.265 1.139 -0.858 1.00 0.00 O ATOM 426 CB SER A 28 -0.954 0.157 1.066 1.00 0.00 C ATOM 427 OG SER A 28 -0.589 -0.817 2.022 1.00 0.00 O ATOM 0 H SER A 28 -3.524 -0.840 0.369 1.00 0.00 H new ATOM 0 HA SER A 28 -2.401 1.132 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.863 -0.257 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.273 1.006 1.124 1.00 0.00 H new ATOM 0 HG SER A 28 0.332 -1.109 1.856 1.00 0.00 H new ATOM 433 N CYS A 29 -2.806 2.888 0.482 1.00 0.00 N ATOM 434 CA CYS A 29 -3.321 3.894 -0.435 1.00 0.00 C ATOM 435 C CYS A 29 -2.385 4.101 -1.620 1.00 0.00 C ATOM 436 O CYS A 29 -1.166 4.125 -1.458 1.00 0.00 O ATOM 437 CB CYS A 29 -3.572 5.206 0.305 1.00 0.00 C ATOM 438 SG CYS A 29 -4.909 5.054 1.507 1.00 0.00 S ATOM 0 H CYS A 29 -2.411 3.272 1.341 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.270 3.535 -0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.659 5.516 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.817 5.988 -0.414 1.00 0.00 H new ATOM 443 N LYS A 30 -2.972 4.265 -2.811 1.00 0.00 N ATOM 444 CA LYS A 30 -2.246 4.643 -4.014 1.00 0.00 C ATOM 445 C LYS A 30 -1.747 6.084 -3.857 1.00 0.00 C ATOM 446 O LYS A 30 -0.580 6.382 -4.100 1.00 0.00 O ATOM 447 CB LYS A 30 -3.173 4.536 -5.234 1.00 0.00 C ATOM 448 CG LYS A 30 -3.616 3.095 -5.516 1.00 0.00 C ATOM 449 CD LYS A 30 -4.592 3.083 -6.698 1.00 0.00 C ATOM 450 CE LYS A 30 -5.074 1.664 -7.010 1.00 0.00 C ATOM 451 NZ LYS A 30 -6.160 1.674 -8.003 1.00 0.00 N ATOM 0 H LYS A 30 -3.973 4.136 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.397 3.976 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.054 5.157 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.660 4.932 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.749 2.474 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.093 2.670 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.448 3.718 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.106 3.505 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.241 1.069 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.421 1.186 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.270 0.722 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.048 1.960 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.930 2.347 -8.762 1.00 0.00 H new ATOM 465 N ASN A 31 -2.662 6.967 -3.440 1.00 0.00 N ATOM 466 CA ASN A 31 -2.443 8.380 -3.169 1.00 0.00 C ATOM 467 C ASN A 31 -1.703 8.532 -1.835 1.00 0.00 C ATOM 468 O ASN A 31 -1.924 7.739 -0.921 1.00 0.00 O ATOM 469 CB ASN A 31 -3.825 9.042 -3.140 1.00 0.00 C ATOM 470 CG ASN A 31 -3.819 10.545 -2.887 1.00 0.00 C ATOM 471 OD1 ASN A 31 -2.790 11.209 -2.969 1.00 0.00 O ATOM 472 ND2 ASN A 31 -4.999 11.082 -2.576 1.00 0.00 N ATOM 0 H ASN A 31 -3.630 6.691 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.826 8.857 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.321 8.852 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.424 8.562 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.072 12.083 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.829 10.492 -2.519 1.00 0.00 H new ATOM 479 N THR A 32 -0.820 9.535 -1.732 1.00 0.00 N ATOM 480 CA THR A 32 0.061 9.726 -0.583 1.00 0.00 C ATOM 481 C THR A 32 -0.016 11.158 -0.049 1.00 0.00 C ATOM 482 O THR A 32 -0.466 12.075 -0.735 1.00 0.00 O ATOM 483 CB THR A 32 1.506 9.373 -0.968 1.00 0.00 C ATOM 484 OG1 THR A 32 1.942 10.187 -2.036 1.00 0.00 O ATOM 485 CG2 THR A 32 1.647 7.899 -1.362 1.00 0.00 C ATOM 0 H THR A 32 -0.700 10.243 -2.456 1.00 0.00 H new ATOM 0 HA THR A 32 -0.271 9.060 0.214 1.00 0.00 H new ATOM 0 HB THR A 32 2.127 9.552 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.809 10.584 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.684 7.691 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.353 7.268 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.005 7.688 -2.217 1.00 0.00 H new ATOM 493 N ASP A 33 0.449 11.336 1.193 1.00 0.00 N ATOM 494 CA ASP A 33 0.545 12.625 1.861 1.00 0.00 C ATOM 495 C ASP A 33 1.468 13.568 1.092 1.00 0.00 C ATOM 496 O ASP A 33 1.155 14.747 0.962 1.00 0.00 O ATOM 497 CB ASP A 33 1.044 12.432 3.298 1.00 0.00 C ATOM 498 CG ASP A 33 0.066 11.601 4.125 1.00 0.00 C ATOM 499 OD1 ASP A 33 0.164 10.357 4.040 1.00 0.00 O ATOM 500 OD2 ASP A 33 -0.761 12.223 4.826 1.00 0.00 O ATOM 0 H ASP A 33 0.776 10.562 1.771 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.446 13.078 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.017 11.941 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.185 13.405 3.769 1.00 0.00 H new ATOM 505 N SER A 34 2.592 13.053 0.579 1.00 0.00 N ATOM 506 CA SER A 34 3.527 13.809 -0.244 1.00 0.00 C ATOM 507 C SER A 34 2.853 14.280 -1.536 1.00 0.00 C ATOM 508 O SER A 34 2.966 15.451 -1.895 1.00 0.00 O ATOM 509 CB SER A 34 4.764 12.951 -0.527 1.00 0.00 C ATOM 510 OG SER A 34 4.387 11.692 -1.045 1.00 0.00 O ATOM 0 H SER A 34 2.876 12.085 0.730 1.00 0.00 H new ATOM 0 HA SER A 34 3.845 14.703 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.414 13.463 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.338 12.816 0.390 1.00 0.00 H new ATOM 0 HG SER A 34 5.189 11.157 -1.222 1.00 0.00 H new ATOM 516 N ARG A 35 2.144 13.368 -2.218 1.00 0.00 N ATOM 517 CA ARG A 35 1.344 13.651 -3.405 1.00 0.00 C ATOM 518 C ARG A 35 0.431 14.859 -3.176 1.00 0.00 C ATOM 519 O ARG A 35 0.408 15.777 -3.993 1.00 0.00 O ATOM 520 CB ARG A 35 0.557 12.383 -3.783 1.00 0.00 C ATOM 521 CG ARG A 35 -0.611 12.593 -4.753 1.00 0.00 C ATOM 522 CD ARG A 35 -0.183 13.181 -6.101 1.00 0.00 C ATOM 523 NE ARG A 35 -1.352 13.490 -6.935 1.00 0.00 N ATOM 524 CZ ARG A 35 -2.216 14.494 -6.706 1.00 0.00 C ATOM 525 NH1 ARG A 35 -2.025 15.358 -5.698 1.00 0.00 N ATOM 526 NH2 ARG A 35 -3.286 14.636 -7.499 1.00 0.00 N ATOM 0 H ARG A 35 2.115 12.386 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 35 1.994 13.917 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.249 11.666 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.170 11.931 -2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.109 11.638 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.342 13.256 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.401 14.086 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.463 12.474 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.521 12.899 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.213 15.260 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.692 16.113 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.440 13.985 -8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.947 15.395 -7.333 1.00 0.00 H new ATOM 540 N CYS A 36 -0.319 14.863 -2.070 1.00 0.00 N ATOM 541 CA CYS A 36 -1.239 15.946 -1.752 1.00 0.00 C ATOM 542 C CYS A 36 -0.489 17.226 -1.370 1.00 0.00 C ATOM 543 O CYS A 36 -0.819 18.303 -1.866 1.00 0.00 O ATOM 544 CB CYS A 36 -2.208 15.497 -0.654 1.00 0.00 C ATOM 545 SG CYS A 36 -3.182 14.017 -1.036 1.00 0.00 S ATOM 0 H CYS A 36 -0.302 14.116 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.821 16.186 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.638 15.312 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.893 16.317 -0.440 1.00 0.00 H new ATOM 550 N LYS A 37 0.521 17.111 -0.500 1.00 0.00 N ATOM 551 CA LYS A 37 1.314 18.228 0.000 1.00 0.00 C ATOM 552 C LYS A 37 1.958 19.021 -1.139 1.00 0.00 C ATOM 553 O LYS A 37 2.036 20.245 -1.056 1.00 0.00 O ATOM 554 CB LYS A 37 2.364 17.706 0.993 1.00 0.00 C ATOM 555 CG LYS A 37 3.287 18.793 1.563 1.00 0.00 C ATOM 556 CD LYS A 37 2.522 19.873 2.343 1.00 0.00 C ATOM 557 CE LYS A 37 3.475 20.887 2.984 1.00 0.00 C ATOM 558 NZ LYS A 37 4.204 21.672 1.973 1.00 0.00 N ATOM 0 H LYS A 37 0.813 16.212 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 37 0.653 18.921 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.853 17.210 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.974 16.951 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.024 18.330 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.837 19.261 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.837 20.391 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.916 19.403 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.909 21.561 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.188 20.363 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.747 22.424 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.854 21.049 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.526 22.098 1.309 1.00 0.00 H new ATOM 572 N ALA A 38 2.405 18.335 -2.200 1.00 0.00 N ATOM 573 CA ALA A 38 2.967 18.962 -3.390 1.00 0.00 C ATOM 574 C ALA A 38 2.029 20.021 -3.982 1.00 0.00 C ATOM 575 O ALA A 38 2.497 21.054 -4.458 1.00 0.00 O ATOM 576 CB ALA A 38 3.291 17.887 -4.430 1.00 0.00 C ATOM 0 H ALA A 38 2.383 17.316 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 38 3.883 19.477 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.711 18.356 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.014 17.185 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.379 17.353 -4.698 1.00 0.00 H new ATOM 582 N ARG A 39 0.713 19.767 -3.944 1.00 0.00 N ATOM 583 CA ARG A 39 -0.310 20.674 -4.451 1.00 0.00 C ATOM 584 C ARG A 39 -0.963 21.482 -3.321 1.00 0.00 C ATOM 585 O ARG A 39 -2.017 22.078 -3.537 1.00 0.00 O ATOM 586 CB ARG A 39 -1.361 19.872 -5.232 1.00 0.00 C ATOM 587 CG ARG A 39 -0.718 19.002 -6.319 1.00 0.00 C ATOM 588 CD ARG A 39 -1.793 18.422 -7.242 1.00 0.00 C ATOM 589 NE ARG A 39 -1.229 17.403 -8.136 1.00 0.00 N ATOM 590 CZ ARG A 39 -0.523 17.643 -9.253 1.00 0.00 C ATOM 591 NH1 ARG A 39 -0.269 18.897 -9.656 1.00 0.00 N ATOM 592 NH2 ARG A 39 -0.066 16.611 -9.974 1.00 0.00 N ATOM 0 H ARG A 39 0.329 18.907 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 39 0.165 21.392 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.921 19.239 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.075 20.557 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.013 19.596 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.150 18.194 -5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.592 17.984 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.239 19.222 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.387 16.427 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.614 19.687 -9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.269 19.060 -10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.255 15.655 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.471 16.781 -10.824 1.00 0.00 H new ATOM 606 N GLN A 40 -0.348 21.512 -2.129 1.00 0.00 N ATOM 607 CA GLN A 40 -0.834 22.215 -0.947 1.00 0.00 C ATOM 608 C GLN A 40 -2.228 21.707 -0.557 1.00 0.00 C ATOM 609 O GLN A 40 -3.157 22.485 -0.351 1.00 0.00 O ATOM 610 CB GLN A 40 -0.759 23.743 -1.135 1.00 0.00 C ATOM 611 CG GLN A 40 0.681 24.284 -1.128 1.00 0.00 C ATOM 612 CD GLN A 40 1.567 23.723 -2.240 1.00 0.00 C ATOM 613 OE1 GLN A 40 2.583 23.090 -1.964 1.00 0.00 O ATOM 614 NE2 GLN A 40 1.189 23.948 -3.500 1.00 0.00 N ATOM 0 H GLN A 40 0.534 21.027 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.179 21.993 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.236 24.011 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.327 24.229 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.650 25.370 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.138 24.056 -0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.339 24.478 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.750 23.590 -4.273 1.00 0.00 H new ATOM 623 N LEU A 41 -2.342 20.379 -0.451 1.00 0.00 N ATOM 624 CA LEU A 41 -3.514 19.637 -0.011 1.00 0.00 C ATOM 625 C LEU A 41 -3.053 18.624 1.044 1.00 0.00 C ATOM 626 O LEU A 41 -1.853 18.473 1.275 1.00 0.00 O ATOM 627 CB LEU A 41 -4.148 18.927 -1.221 1.00 0.00 C ATOM 628 CG LEU A 41 -4.678 19.869 -2.317 1.00 0.00 C ATOM 629 CD1 LEU A 41 -5.101 19.047 -3.540 1.00 0.00 C ATOM 630 CD2 LEU A 41 -5.878 20.699 -1.846 1.00 0.00 C ATOM 0 H LEU A 41 -1.566 19.761 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.264 20.298 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.407 18.260 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.970 18.303 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.870 20.556 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.476 19.715 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.243 18.494 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.886 18.347 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.213 21.346 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.690 20.032 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.585 21.309 -0.991 1.00 0.00 H new ATOM 642 N GLU A 42 -3.997 17.922 1.682 1.00 0.00 N ATOM 643 CA GLU A 42 -3.717 16.879 2.663 1.00 0.00 C ATOM 644 C GLU A 42 -4.535 15.632 2.341 1.00 0.00 C ATOM 645 O GLU A 42 -5.659 15.727 1.856 1.00 0.00 O ATOM 646 CB GLU A 42 -4.021 17.374 4.082 1.00 0.00 C ATOM 647 CG GLU A 42 -2.874 18.238 4.622 1.00 0.00 C ATOM 648 CD GLU A 42 -3.211 18.870 5.971 1.00 0.00 C ATOM 649 OE1 GLU A 42 -3.968 18.235 6.737 1.00 0.00 O ATOM 650 OE2 GLU A 42 -2.700 19.984 6.215 1.00 0.00 O ATOM 0 H GLU A 42 -4.994 18.069 1.525 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.658 16.627 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.945 17.952 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.180 16.521 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.978 17.626 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.644 19.024 3.902 1.00 0.00 H new ATOM 657 N LEU A 43 -3.950 14.462 2.617 1.00 0.00 N ATOM 658 CA LEU A 43 -4.561 13.170 2.362 1.00 0.00 C ATOM 659 C LEU A 43 -5.647 12.901 3.406 1.00 0.00 C ATOM 660 O LEU A 43 -5.374 12.937 4.605 1.00 0.00 O ATOM 661 CB LEU A 43 -3.466 12.094 2.412 1.00 0.00 C ATOM 662 CG LEU A 43 -3.939 10.681 2.031 1.00 0.00 C ATOM 663 CD1 LEU A 43 -4.220 10.581 0.528 1.00 0.00 C ATOM 664 CD2 LEU A 43 -2.846 9.672 2.400 1.00 0.00 C ATOM 0 H LEU A 43 -3.021 14.394 3.032 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.030 13.155 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.658 12.385 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.050 12.064 3.419 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.860 10.466 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.553 9.572 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.998 11.294 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.310 10.806 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.173 8.667 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.931 9.912 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.655 9.719 3.472 1.00 0.00 H new ATOM 676 N ASN A 44 -6.867 12.608 2.946 1.00 0.00 N ATOM 677 CA ASN A 44 -7.979 12.209 3.796 1.00 0.00 C ATOM 678 C ASN A 44 -7.913 10.691 3.925 1.00 0.00 C ATOM 679 O ASN A 44 -8.293 9.989 2.997 1.00 0.00 O ATOM 680 CB ASN A 44 -9.296 12.661 3.149 1.00 0.00 C ATOM 681 CG ASN A 44 -10.548 12.161 3.875 1.00 0.00 C ATOM 682 OD1 ASN A 44 -10.475 11.520 4.922 1.00 0.00 O ATOM 683 ND2 ASN A 44 -11.718 12.455 3.306 1.00 0.00 N ATOM 0 H ASN A 44 -7.108 12.644 1.955 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.925 12.667 4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.318 13.750 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.322 12.310 2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.588 12.146 3.740 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.743 12.989 2.437 1.00 0.00 H new ATOM 690 N GLU A 45 -7.428 10.196 5.071 1.00 0.00 N ATOM 691 CA GLU A 45 -7.143 8.788 5.340 1.00 0.00 C ATOM 692 C GLU A 45 -8.291 7.826 4.992 1.00 0.00 C ATOM 693 O GLU A 45 -8.035 6.663 4.683 1.00 0.00 O ATOM 694 CB GLU A 45 -6.731 8.653 6.814 1.00 0.00 C ATOM 695 CG GLU A 45 -6.212 7.252 7.162 1.00 0.00 C ATOM 696 CD GLU A 45 -5.679 7.205 8.590 1.00 0.00 C ATOM 697 OE1 GLU A 45 -6.511 7.004 9.502 1.00 0.00 O ATOM 698 OE2 GLU A 45 -4.450 7.374 8.747 1.00 0.00 O ATOM 0 H GLU A 45 -7.216 10.795 5.868 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.331 8.487 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.958 9.388 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.586 8.886 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.015 6.524 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.422 6.970 6.466 1.00 0.00 H new ATOM 705 N ARG A 46 -9.546 8.291 5.027 1.00 0.00 N ATOM 706 CA ARG A 46 -10.718 7.432 4.910 1.00 0.00 C ATOM 707 C ARG A 46 -10.957 7.037 3.452 1.00 0.00 C ATOM 708 O ARG A 46 -11.238 5.874 3.166 1.00 0.00 O ATOM 709 CB ARG A 46 -11.946 8.187 5.433 1.00 0.00 C ATOM 710 CG ARG A 46 -11.862 8.465 6.939 1.00 0.00 C ATOM 711 CD ARG A 46 -13.074 9.276 7.405 1.00 0.00 C ATOM 712 NE ARG A 46 -14.327 8.537 7.202 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.558 9.068 7.288 1.00 0.00 C ATOM 714 NH1 ARG A 46 -15.729 10.362 7.597 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.628 8.295 7.065 1.00 0.00 N ATOM 0 H ARG A 46 -9.772 9.279 5.138 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.550 6.527 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.045 9.131 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.844 7.606 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.815 7.523 7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.945 9.010 7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.963 9.523 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.114 10.219 6.859 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.257 7.544 6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.918 10.956 7.770 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.670 10.752 7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.506 7.310 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.566 8.691 7.129 1.00 0.00 H new ATOM 729 N THR A 47 -10.849 8.009 2.541 1.00 0.00 N ATOM 730 CA THR A 47 -11.082 7.846 1.111 1.00 0.00 C ATOM 731 C THR A 47 -9.772 7.841 0.312 1.00 0.00 C ATOM 732 O THR A 47 -9.776 7.483 -0.863 1.00 0.00 O ATOM 733 CB THR A 47 -11.976 9.001 0.638 1.00 0.00 C ATOM 734 OG1 THR A 47 -11.360 10.240 0.935 1.00 0.00 O ATOM 735 CG2 THR A 47 -13.350 8.963 1.313 1.00 0.00 C ATOM 0 H THR A 47 -10.588 8.962 2.792 1.00 0.00 H new ATOM 0 HA THR A 47 -11.564 6.883 0.941 1.00 0.00 H new ATOM 0 HB THR A 47 -12.111 8.891 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.667 10.429 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.955 9.795 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.847 8.023 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.227 9.043 2.393 1.00 0.00 H new ATOM 743 N CYS A 48 -8.669 8.265 0.940 1.00 0.00 N ATOM 744 CA CYS A 48 -7.382 8.550 0.323 1.00 0.00 C ATOM 745 C CYS A 48 -7.528 9.404 -0.934 1.00 0.00 C ATOM 746 O CYS A 48 -7.023 9.071 -2.003 1.00 0.00 O ATOM 747 CB CYS A 48 -6.523 7.289 0.195 1.00 0.00 C ATOM 748 SG CYS A 48 -5.630 6.948 1.736 1.00 0.00 S ATOM 0 H CYS A 48 -8.657 8.425 1.947 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.802 9.187 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.156 6.438 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.812 7.411 -0.622 1.00 0.00 H new ATOM 753 N ARG A 49 -8.217 10.536 -0.758 1.00 0.00 N ATOM 754 CA ARG A 49 -8.317 11.633 -1.709 1.00 0.00 C ATOM 755 C ARG A 49 -7.485 12.788 -1.155 1.00 0.00 C ATOM 756 O ARG A 49 -7.250 12.851 0.051 1.00 0.00 O ATOM 757 CB ARG A 49 -9.773 12.094 -1.822 1.00 0.00 C ATOM 758 CG ARG A 49 -10.685 11.048 -2.472 1.00 0.00 C ATOM 759 CD ARG A 49 -12.130 11.558 -2.490 1.00 0.00 C ATOM 760 NE ARG A 49 -12.627 11.780 -1.125 1.00 0.00 N ATOM 761 CZ ARG A 49 -13.622 12.606 -0.766 1.00 0.00 C ATOM 762 NH1 ARG A 49 -14.311 13.302 -1.681 1.00 0.00 N ATOM 763 NH2 ARG A 49 -13.927 12.731 0.532 1.00 0.00 N ATOM 0 H ARG A 49 -8.744 10.715 0.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.965 11.317 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.152 12.330 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.812 13.014 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.350 10.841 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.628 10.109 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.184 12.488 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.768 10.836 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.172 11.256 -0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.083 13.209 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.064 13.925 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.406 12.203 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.681 13.355 0.821 1.00 0.00 H new ATOM 777 N CYS A 50 -7.065 13.715 -2.023 1.00 0.00 N ATOM 778 CA CYS A 50 -6.435 14.949 -1.581 1.00 0.00 C ATOM 779 C CYS A 50 -7.531 15.988 -1.366 1.00 0.00 C ATOM 780 O CYS A 50 -8.296 16.290 -2.280 1.00 0.00 O ATOM 781 CB CYS A 50 -5.405 15.451 -2.594 1.00 0.00 C ATOM 782 SG CYS A 50 -3.978 14.378 -2.896 1.00 0.00 S ATOM 0 H CYS A 50 -7.153 13.627 -3.035 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.896 14.768 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.914 15.617 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.038 16.420 -2.255 1.00 0.00 H new ATOM 787 N ASP A 51 -7.600 16.512 -0.141 1.00 0.00 N ATOM 788 CA ASP A 51 -8.597 17.460 0.332 1.00 0.00 C ATOM 789 C ASP A 51 -7.876 18.688 0.893 1.00 0.00 C ATOM 790 O ASP A 51 -6.651 18.770 0.821 1.00 0.00 O ATOM 791 CB ASP A 51 -9.478 16.767 1.382 1.00 0.00 C ATOM 792 CG ASP A 51 -10.323 15.652 0.767 1.00 0.00 C ATOM 793 OD1 ASP A 51 -9.780 14.538 0.611 1.00 0.00 O ATOM 794 OD2 ASP A 51 -11.501 15.934 0.459 1.00 0.00 O ATOM 0 H ASP A 51 -6.923 16.270 0.583 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.247 17.795 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.848 16.353 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.132 17.502 1.850 1.00 0.00 H new ATOM 799 N LYS A 52 -8.629 19.652 1.437 1.00 0.00 N ATOM 800 CA LYS A 52 -8.102 20.910 1.953 1.00 0.00 C ATOM 801 C LYS A 52 -6.906 20.691 2.895 1.00 0.00 C ATOM 802 O LYS A 52 -6.864 19.677 3.590 1.00 0.00 O ATOM 803 CB LYS A 52 -9.229 21.698 2.642 1.00 0.00 C ATOM 804 CG LYS A 52 -9.875 20.936 3.812 1.00 0.00 C ATOM 805 CD LYS A 52 -10.869 21.801 4.599 1.00 0.00 C ATOM 806 CE LYS A 52 -12.102 22.179 3.773 1.00 0.00 C ATOM 807 NZ LYS A 52 -13.102 22.872 4.602 1.00 0.00 N ATOM 0 H LYS A 52 -9.642 19.572 1.530 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.726 21.495 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.830 22.644 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.996 21.940 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.390 20.055 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.095 20.581 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.186 21.263 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.368 22.709 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.805 22.820 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.543 21.281 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.927 23.117 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.400 22.249 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.686 23.740 4.995 1.00 0.00 H new ATOM 821 N PRO A 53 -5.931 21.618 2.933 1.00 0.00 N ATOM 822 CA PRO A 53 -4.777 21.536 3.816 1.00 0.00 C ATOM 823 C PRO A 53 -5.215 21.783 5.264 1.00 0.00 C ATOM 824 O PRO A 53 -5.039 22.869 5.814 1.00 0.00 O ATOM 825 CB PRO A 53 -3.785 22.578 3.288 1.00 0.00 C ATOM 826 CG PRO A 53 -4.694 23.632 2.660 1.00 0.00 C ATOM 827 CD PRO A 53 -5.840 22.797 2.088 1.00 0.00 C ATOM 0 HA PRO A 53 -4.305 20.554 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.175 22.997 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.100 22.149 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.048 24.352 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.180 24.198 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.775 23.358 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.644 22.521 1.052 1.00 0.00 H new ATOM 835 N ARG A 54 -5.808 20.748 5.863 1.00 0.00 N ATOM 836 CA ARG A 54 -6.412 20.770 7.181 1.00 0.00 C ATOM 837 C ARG A 54 -6.985 19.382 7.481 1.00 0.00 C ATOM 838 O ARG A 54 -6.766 18.848 8.567 1.00 0.00 O ATOM 839 CB ARG A 54 -7.489 21.861 7.223 1.00 0.00 C ATOM 840 CG ARG A 54 -8.132 21.982 8.609 1.00 0.00 C ATOM 841 CD ARG A 54 -9.145 23.128 8.614 1.00 0.00 C ATOM 842 NE ARG A 54 -9.790 23.249 9.927 1.00 0.00 N ATOM 843 CZ ARG A 54 -10.843 24.038 10.195 1.00 0.00 C ATOM 844 NH1 ARG A 54 -11.396 24.794 9.236 1.00 0.00 N ATOM 845 NH2 ARG A 54 -11.347 24.068 11.435 1.00 0.00 N ATOM 0 H ARG A 54 -5.879 19.834 5.415 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.674 21.005 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.047 22.817 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.259 21.638 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.626 21.047 8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.364 22.160 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.644 24.063 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.900 22.955 7.848 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.410 22.692 10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.017 24.774 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.196 25.389 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.931 23.494 12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.147 24.665 11.646 1.00 0.00 H new ATOM 859 N ARG A 55 -7.711 18.804 6.513 1.00 0.00 N ATOM 860 CA ARG A 55 -8.294 17.474 6.598 1.00 0.00 C ATOM 861 C ARG A 55 -8.594 16.956 5.191 1.00 0.00 C ATOM 862 O ARG A 55 -8.962 17.796 4.340 1.00 0.00 O ATOM 863 CB ARG A 55 -9.551 17.481 7.484 1.00 0.00 C ATOM 864 CG ARG A 55 -10.667 18.395 6.953 1.00 0.00 C ATOM 865 CD ARG A 55 -11.904 18.335 7.855 1.00 0.00 C ATOM 866 NE ARG A 55 -11.645 18.907 9.182 1.00 0.00 N ATOM 867 CZ ARG A 55 -11.672 20.209 9.508 1.00 0.00 C ATOM 868 NH1 ARG A 55 -11.949 21.145 8.590 1.00 0.00 N ATOM 869 NH2 ARG A 55 -11.420 20.570 10.772 1.00 0.00 N ATOM 870 OXT ARG A 55 -8.453 15.730 4.990 1.00 0.00 O ATOM 0 H ARG A 55 -7.909 19.269 5.627 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.580 16.798 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.933 16.464 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.276 17.802 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.304 19.421 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.936 18.095 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.724 18.874 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.224 17.299 7.963 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.423 18.250 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.144 20.873 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.965 22.130 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.211 19.859 11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.437 21.556 11.034 1.00 0.00 H new TER 883 ARG A 55