USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 63 HIS : no HD1:sc= -0.192 X(o=-0.46,f=-0.9) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.264 K(o=-0.46,f=-2.4!) USER MOD Set 2.1: A 7 CYS SG : rot 163:sc= -1.22! USER MOD Set 2.2: A 9 CYS SG : rot 69:sc= 0.402 USER MOD Set 2.3: A 24 CYS SG : rot 180:sc= 0.807 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.206 (180deg=-0.899) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.193 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -17:sc= 0.166 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0337 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.487 -12.465 6.763 1.00 0.00 N ATOM 2 CA MET A 1 -8.362 -11.929 5.954 1.00 0.00 C ATOM 3 C MET A 1 -8.167 -10.437 6.198 1.00 0.00 C ATOM 4 O MET A 1 -8.961 -9.804 6.897 1.00 0.00 O ATOM 5 CB MET A 1 -8.660 -12.184 4.475 1.00 0.00 C ATOM 6 CG MET A 1 -9.232 -13.565 4.198 1.00 0.00 C ATOM 7 SD MET A 1 -9.679 -13.799 2.467 1.00 0.00 S ATOM 8 CE MET A 1 -9.769 -15.585 2.379 1.00 0.00 C ATOM 0 H1 MET A 1 -9.411 -13.501 6.820 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.449 -12.062 7.721 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.390 -12.208 6.315 1.00 0.00 H new ATOM 0 HA MET A 1 -7.441 -12.433 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.363 -11.431 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.742 -12.059 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.501 -14.321 4.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.113 -13.720 4.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.037 -15.886 1.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.801 -16.011 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.525 -15.946 3.077 1.00 0.00 H new ATOM 20 N TYR A 2 -7.110 -9.879 5.616 1.00 0.00 N ATOM 21 CA TYR A 2 -6.811 -8.460 5.769 1.00 0.00 C ATOM 22 C TYR A 2 -6.484 -7.823 4.420 1.00 0.00 C ATOM 23 O TYR A 2 -6.083 -8.506 3.478 1.00 0.00 O ATOM 24 CB TYR A 2 -5.639 -8.263 6.734 1.00 0.00 C ATOM 25 CG TYR A 2 -6.060 -7.886 8.138 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.811 -8.758 8.918 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.703 -6.660 8.683 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.195 -8.415 10.201 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.083 -6.310 9.964 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.829 -7.191 10.720 1.00 0.00 C ATOM 31 OH TYR A 2 -7.210 -6.846 11.997 1.00 0.00 O ATOM 0 H TYR A 2 -6.446 -10.389 5.034 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.696 -7.972 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.055 -9.183 6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.983 -7.486 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.099 -9.718 8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.118 -5.968 8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.779 -9.103 10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.798 -5.352 10.372 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.870 -5.952 12.210 1.00 0.00 H new ATOM 41 N ILE A 3 -6.670 -6.511 4.338 1.00 0.00 N ATOM 42 CA ILE A 3 -6.410 -5.766 3.112 1.00 0.00 C ATOM 43 C ILE A 3 -5.512 -4.562 3.386 1.00 0.00 C ATOM 44 O ILE A 3 -5.408 -4.107 4.524 1.00 0.00 O ATOM 45 CB ILE A 3 -7.723 -5.264 2.484 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.587 -4.578 3.544 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.487 -6.410 1.839 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.462 -3.476 2.990 1.00 0.00 C ATOM 0 H ILE A 3 -7.003 -5.937 5.113 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.911 -6.446 2.422 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.477 -4.540 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.218 -5.325 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.939 -4.163 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.411 -6.031 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.875 -6.861 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.724 -7.160 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.046 -3.035 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.836 -2.709 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.135 -3.889 2.239 1.00 0.00 H new ATOM 60 N ILE A 4 -4.894 -4.027 2.336 1.00 0.00 N ATOM 61 CA ILE A 4 -4.042 -2.851 2.475 1.00 0.00 C ATOM 62 C ILE A 4 -4.497 -1.748 1.516 1.00 0.00 C ATOM 63 O ILE A 4 -5.060 -2.023 0.458 1.00 0.00 O ATOM 64 CB ILE A 4 -2.552 -3.205 2.240 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.941 -3.753 3.532 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.753 -1.998 1.763 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.910 -5.263 3.596 1.00 0.00 C ATOM 0 H ILE A 4 -4.967 -4.387 1.385 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.136 -2.484 3.497 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.508 -3.963 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.924 -3.373 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.509 -3.374 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.713 -2.287 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.170 -1.633 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.803 -1.209 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.464 -5.578 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.926 -5.651 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.317 -5.650 2.767 1.00 0.00 H new ATOM 79 N PHE A 5 -4.290 -0.498 1.914 1.00 0.00 N ATOM 80 CA PHE A 5 -4.714 0.642 1.108 1.00 0.00 C ATOM 81 C PHE A 5 -3.725 1.795 1.238 1.00 0.00 C ATOM 82 O PHE A 5 -2.598 1.598 1.688 1.00 0.00 O ATOM 83 CB PHE A 5 -6.110 1.102 1.531 1.00 0.00 C ATOM 84 CG PHE A 5 -6.514 0.656 2.908 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.077 -0.594 3.112 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.350 1.496 3.993 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.452 -1.000 4.379 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.732 1.101 5.256 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.276 -0.150 5.452 1.00 0.00 C ATOM 0 H PHE A 5 -3.831 -0.248 2.790 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.744 0.327 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.151 2.190 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.838 0.727 0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.224 -1.257 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.917 2.475 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.881 -1.980 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.605 1.772 6.093 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.564 -0.465 6.444 1.00 0.00 H new ATOM 99 N ARG A 6 -4.136 2.995 0.827 1.00 0.00 N ATOM 100 CA ARG A 6 -3.254 4.155 0.895 1.00 0.00 C ATOM 101 C ARG A 6 -4.017 5.426 1.257 1.00 0.00 C ATOM 102 O ARG A 6 -4.928 5.841 0.541 1.00 0.00 O ATOM 103 CB ARG A 6 -2.535 4.348 -0.442 1.00 0.00 C ATOM 104 CG ARG A 6 -1.232 3.573 -0.551 1.00 0.00 C ATOM 105 CD ARG A 6 -0.711 3.550 -1.980 1.00 0.00 C ATOM 106 NE ARG A 6 -0.796 4.862 -2.617 1.00 0.00 N ATOM 107 CZ ARG A 6 0.109 5.822 -2.453 1.00 0.00 C ATOM 108 NH1 ARG A 6 1.165 5.620 -1.675 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.041 6.988 -3.068 1.00 0.00 N ATOM 0 H ARG A 6 -5.064 3.186 0.448 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.523 3.966 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.199 4.041 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.330 5.409 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.485 4.024 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.385 2.552 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.326 3.213 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.282 2.827 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.595 5.052 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.285 4.725 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.857 6.359 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.851 7.148 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.654 7.724 -2.942 1.00 0.00 H new ATOM 123 N CYS A 7 -3.622 6.055 2.361 1.00 0.00 N ATOM 124 CA CYS A 7 -4.245 7.298 2.789 1.00 0.00 C ATOM 125 C CYS A 7 -3.730 8.460 1.953 1.00 0.00 C ATOM 126 O CYS A 7 -2.632 8.387 1.393 1.00 0.00 O ATOM 127 CB CYS A 7 -3.977 7.557 4.271 1.00 0.00 C ATOM 128 SG CYS A 7 -4.976 8.886 4.981 1.00 0.00 S ATOM 0 H CYS A 7 -2.875 5.723 2.972 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.322 7.208 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.164 6.639 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.923 7.800 4.401 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.952 8.802 6.278 1.00 0.00 H new ATOM 134 N ASP A 8 -4.490 9.552 1.933 1.00 0.00 N ATOM 135 CA ASP A 8 -4.142 10.719 1.130 1.00 0.00 C ATOM 136 C ASP A 8 -2.798 11.295 1.554 1.00 0.00 C ATOM 137 O ASP A 8 -2.155 12.019 0.793 1.00 0.00 O ATOM 138 CB ASP A 8 -5.229 11.788 1.254 1.00 0.00 C ATOM 139 CG ASP A 8 -6.008 11.971 -0.034 1.00 0.00 C ATOM 140 OD1 ASP A 8 -5.534 12.723 -0.912 1.00 0.00 O ATOM 141 OD2 ASP A 8 -7.089 11.361 -0.166 1.00 0.00 O ATOM 0 H ASP A 8 -5.354 9.652 2.466 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.066 10.402 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.915 11.513 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.772 12.736 1.537 1.00 0.00 H new ATOM 146 N CYS A 9 -2.358 10.940 2.755 1.00 0.00 N ATOM 147 CA CYS A 9 -1.054 11.368 3.243 1.00 0.00 C ATOM 148 C CYS A 9 0.049 10.615 2.505 1.00 0.00 C ATOM 149 O CYS A 9 1.233 10.760 2.812 1.00 0.00 O ATOM 150 CB CYS A 9 -0.941 11.114 4.746 1.00 0.00 C ATOM 151 SG CYS A 9 -2.500 11.287 5.644 1.00 0.00 S ATOM 0 H CYS A 9 -2.884 10.358 3.407 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.944 12.437 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.552 10.108 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.213 11.807 5.167 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.303 10.321 5.309 1.00 0.00 H new ATOM 157 N GLY A 10 -0.362 9.793 1.543 1.00 0.00 N ATOM 158 CA GLY A 10 0.578 8.987 0.789 1.00 0.00 C ATOM 159 C GLY A 10 1.005 7.757 1.563 1.00 0.00 C ATOM 160 O GLY A 10 1.927 7.049 1.161 1.00 0.00 O ATOM 0 H GLY A 10 -1.338 9.672 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.124 8.684 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.455 9.585 0.543 1.00 0.00 H new ATOM 164 N ARG A 11 0.387 7.560 2.724 1.00 0.00 N ATOM 165 CA ARG A 11 0.707 6.418 3.578 1.00 0.00 C ATOM 166 C ARG A 11 -0.092 5.179 3.178 1.00 0.00 C ATOM 167 O ARG A 11 -0.612 5.094 2.067 1.00 0.00 O ATOM 168 CB ARG A 11 0.467 6.764 5.051 1.00 0.00 C ATOM 169 CG ARG A 11 -0.998 6.834 5.440 1.00 0.00 C ATOM 170 CD ARG A 11 -1.187 6.640 6.936 1.00 0.00 C ATOM 171 NE ARG A 11 -0.426 7.613 7.714 1.00 0.00 N ATOM 172 CZ ARG A 11 0.502 7.281 8.608 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.782 6.004 8.836 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.150 8.225 9.276 1.00 0.00 N ATOM 0 H ARG A 11 -0.337 8.175 3.096 1.00 0.00 H new ATOM 0 HA ARG A 11 1.764 6.187 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.962 6.019 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.936 7.724 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.409 7.799 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.556 6.069 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.245 6.727 7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.877 5.632 7.213 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.616 8.604 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.285 5.274 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.494 5.753 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.938 9.208 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.861 7.968 9.961 1.00 0.00 H new ATOM 188 N ALA A 12 -0.187 4.225 4.101 1.00 0.00 N ATOM 189 CA ALA A 12 -0.925 2.989 3.866 1.00 0.00 C ATOM 190 C ALA A 12 -1.395 2.382 5.186 1.00 0.00 C ATOM 191 O ALA A 12 -0.826 2.666 6.239 1.00 0.00 O ATOM 192 CB ALA A 12 -0.060 1.996 3.106 1.00 0.00 C ATOM 0 H ALA A 12 0.242 4.286 5.025 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.803 3.222 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.623 1.078 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.230 2.425 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.834 1.772 3.688 1.00 0.00 H new ATOM 198 N LEU A 13 -2.442 1.559 5.133 1.00 0.00 N ATOM 199 CA LEU A 13 -2.966 0.930 6.344 1.00 0.00 C ATOM 200 C LEU A 13 -3.484 -0.482 6.072 1.00 0.00 C ATOM 201 O LEU A 13 -3.340 -1.008 4.968 1.00 0.00 O ATOM 202 CB LEU A 13 -4.074 1.790 6.952 1.00 0.00 C ATOM 203 CG LEU A 13 -3.595 2.889 7.902 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.219 4.225 7.531 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.921 2.526 9.343 1.00 0.00 C ATOM 0 H LEU A 13 -2.938 1.315 4.276 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.143 0.849 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.639 2.252 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.763 1.140 7.491 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.513 2.979 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.866 4.994 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.934 4.489 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.304 4.150 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.573 3.319 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.999 2.408 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.425 1.591 9.604 1.00 0.00 H new ATOM 217 N TYR A 14 -4.080 -1.089 7.097 1.00 0.00 N ATOM 218 CA TYR A 14 -4.609 -2.448 6.998 1.00 0.00 C ATOM 219 C TYR A 14 -5.975 -2.553 7.677 1.00 0.00 C ATOM 220 O TYR A 14 -6.203 -1.951 8.726 1.00 0.00 O ATOM 221 CB TYR A 14 -3.635 -3.435 7.646 1.00 0.00 C ATOM 222 CG TYR A 14 -3.213 -3.040 9.044 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.142 -2.179 9.251 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.888 -3.525 10.157 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.756 -1.813 10.526 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.508 -3.164 11.436 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.441 -2.309 11.615 1.00 0.00 C ATOM 228 OH TYR A 14 -2.060 -1.947 12.887 1.00 0.00 O ATOM 0 H TYR A 14 -4.209 -0.657 8.012 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.727 -2.692 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.099 -4.421 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.748 -3.522 7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.602 -1.789 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.724 -4.195 10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.922 -1.142 10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.044 -3.550 12.291 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.646 -2.383 13.540 1.00 0.00 H new ATOM 238 N SER A 15 -6.880 -3.323 7.076 1.00 0.00 N ATOM 239 CA SER A 15 -8.218 -3.518 7.634 1.00 0.00 C ATOM 240 C SER A 15 -8.824 -4.830 7.148 1.00 0.00 C ATOM 241 O SER A 15 -8.146 -5.645 6.527 1.00 0.00 O ATOM 242 CB SER A 15 -9.131 -2.351 7.253 1.00 0.00 C ATOM 243 OG SER A 15 -10.340 -2.383 7.992 1.00 0.00 O ATOM 0 H SER A 15 -6.712 -3.822 6.203 1.00 0.00 H new ATOM 0 HA SER A 15 -8.127 -3.559 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.615 -1.408 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.352 -2.392 6.187 1.00 0.00 H new ATOM 0 HG SER A 15 -10.904 -1.625 7.730 1.00 0.00 H new ATOM 249 N ARG A 16 -10.105 -5.032 7.443 1.00 0.00 N ATOM 250 CA ARG A 16 -10.803 -6.242 7.024 1.00 0.00 C ATOM 251 C ARG A 16 -11.120 -6.198 5.533 1.00 0.00 C ATOM 252 O ARG A 16 -11.418 -5.137 4.983 1.00 0.00 O ATOM 253 CB ARG A 16 -12.095 -6.413 7.822 1.00 0.00 C ATOM 254 CG ARG A 16 -12.020 -7.505 8.877 1.00 0.00 C ATOM 255 CD ARG A 16 -13.387 -7.801 9.471 1.00 0.00 C ATOM 256 NE ARG A 16 -13.292 -8.327 10.830 1.00 0.00 N ATOM 257 CZ ARG A 16 -13.078 -9.609 11.111 1.00 0.00 C ATOM 258 NH1 ARG A 16 -12.938 -10.492 10.132 1.00 0.00 N ATOM 259 NH2 ARG A 16 -13.003 -10.008 12.374 1.00 0.00 N ATOM 0 H ARG A 16 -10.680 -4.374 7.970 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.148 -7.092 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.341 -5.468 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.910 -6.640 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.610 -8.413 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.336 -7.200 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.985 -6.890 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.908 -8.521 8.840 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.396 -7.675 11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.994 -10.189 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.774 -11.475 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.110 -9.331 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.839 -10.991 12.589 1.00 0.00 H new ATOM 273 N GLU A 17 -11.048 -7.357 4.886 1.00 0.00 N ATOM 274 CA GLU A 17 -11.327 -7.459 3.458 1.00 0.00 C ATOM 275 C GLU A 17 -12.713 -6.917 3.122 1.00 0.00 C ATOM 276 O GLU A 17 -13.725 -7.549 3.423 1.00 0.00 O ATOM 277 CB GLU A 17 -11.215 -8.915 3.003 1.00 0.00 C ATOM 278 CG GLU A 17 -11.294 -9.089 1.495 1.00 0.00 C ATOM 279 CD GLU A 17 -10.092 -9.818 0.926 1.00 0.00 C ATOM 280 OE1 GLU A 17 -9.368 -10.472 1.706 1.00 0.00 O ATOM 281 OE2 GLU A 17 -9.874 -9.734 -0.301 1.00 0.00 O ATOM 0 H GLU A 17 -10.798 -8.241 5.330 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.589 -6.855 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.270 -9.326 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.011 -9.495 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.200 -9.640 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.376 -8.109 1.024 1.00 0.00 H new ATOM 288 N GLY A 18 -12.751 -5.753 2.477 1.00 0.00 N ATOM 289 CA GLY A 18 -14.020 -5.162 2.092 1.00 0.00 C ATOM 290 C GLY A 18 -14.075 -3.666 2.336 1.00 0.00 C ATOM 291 O GLY A 18 -15.081 -3.022 2.041 1.00 0.00 O ATOM 0 H GLY A 18 -11.928 -5.211 2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.201 -5.359 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.823 -5.645 2.648 1.00 0.00 H new ATOM 295 N ALA A 19 -13.002 -3.115 2.895 1.00 0.00 N ATOM 296 CA ALA A 19 -12.941 -1.686 3.177 1.00 0.00 C ATOM 297 C ALA A 19 -12.719 -0.885 1.900 1.00 0.00 C ATOM 298 O ALA A 19 -11.683 -1.012 1.247 1.00 0.00 O ATOM 299 CB ALA A 19 -11.844 -1.390 4.189 1.00 0.00 C ATOM 0 H ALA A 19 -12.166 -3.635 3.161 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.898 -1.384 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.812 -0.319 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.050 -1.925 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.883 -1.713 3.789 1.00 0.00 H new ATOM 305 N LYS A 20 -13.702 -0.064 1.546 1.00 0.00 N ATOM 306 CA LYS A 20 -13.613 0.766 0.351 1.00 0.00 C ATOM 307 C LYS A 20 -12.958 2.105 0.670 1.00 0.00 C ATOM 308 O LYS A 20 -12.084 2.574 -0.062 1.00 0.00 O ATOM 309 CB LYS A 20 -15.005 0.993 -0.240 1.00 0.00 C ATOM 310 CG LYS A 20 -15.576 -0.231 -0.938 1.00 0.00 C ATOM 311 CD LYS A 20 -16.818 -0.749 -0.230 1.00 0.00 C ATOM 312 CE LYS A 20 -17.233 -2.111 -0.761 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.682 -2.042 -2.180 1.00 0.00 N ATOM 0 H LYS A 20 -14.570 0.044 2.070 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.996 0.245 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.684 1.296 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.959 1.818 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.822 0.019 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.821 -1.017 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.626 -0.818 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.636 -0.041 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.395 -2.803 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.038 -2.511 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.956 -2.991 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.498 -1.401 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.906 -1.685 -2.773 1.00 0.00 H new ATOM 327 N THR A 21 -13.378 2.713 1.775 1.00 0.00 N ATOM 328 CA THR A 21 -12.835 3.999 2.192 1.00 0.00 C ATOM 329 C THR A 21 -12.702 4.073 3.709 1.00 0.00 C ATOM 330 O THR A 21 -13.700 4.129 4.429 1.00 0.00 O ATOM 331 CB THR A 21 -13.725 5.137 1.692 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.068 4.703 1.564 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.292 5.694 0.354 1.00 0.00 C ATOM 0 H THR A 21 -14.093 2.335 2.397 1.00 0.00 H new ATOM 0 HA THR A 21 -11.842 4.102 1.755 1.00 0.00 H new ATOM 0 HB THR A 21 -13.634 5.925 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.623 5.445 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.967 6.498 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.277 6.083 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.320 4.903 -0.396 1.00 0.00 H new ATOM 341 N ARG A 22 -11.462 4.079 4.186 1.00 0.00 N ATOM 342 CA ARG A 22 -11.187 4.157 5.615 1.00 0.00 C ATOM 343 C ARG A 22 -11.073 5.613 6.061 1.00 0.00 C ATOM 344 O ARG A 22 -11.474 6.524 5.336 1.00 0.00 O ATOM 345 CB ARG A 22 -9.897 3.401 5.945 1.00 0.00 C ATOM 346 CG ARG A 22 -9.924 2.701 7.294 1.00 0.00 C ATOM 347 CD ARG A 22 -10.900 1.534 7.302 1.00 0.00 C ATOM 348 NE ARG A 22 -11.372 1.226 8.649 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.199 2.007 9.339 1.00 0.00 C ATOM 350 NH1 ARG A 22 -12.645 3.140 8.810 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.581 1.656 10.558 1.00 0.00 N ATOM 0 H ARG A 22 -10.628 4.031 3.600 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.015 3.695 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.711 2.662 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.062 4.101 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.924 2.341 7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.203 3.415 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.752 1.769 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.417 0.654 6.877 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.049 0.363 9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.354 3.414 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.279 3.736 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.241 0.786 10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.215 2.255 11.086 1.00 0.00 H new ATOM 365 N LYS A 23 -10.525 5.829 7.254 1.00 0.00 N ATOM 366 CA LYS A 23 -10.364 7.178 7.785 1.00 0.00 C ATOM 367 C LYS A 23 -9.159 7.256 8.717 1.00 0.00 C ATOM 368 O LYS A 23 -8.825 6.287 9.400 1.00 0.00 O ATOM 369 CB LYS A 23 -11.630 7.609 8.530 1.00 0.00 C ATOM 370 CG LYS A 23 -11.536 8.999 9.141 1.00 0.00 C ATOM 371 CD LYS A 23 -12.860 9.739 9.050 1.00 0.00 C ATOM 372 CE LYS A 23 -12.802 11.075 9.774 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.776 12.052 9.215 1.00 0.00 N ATOM 0 H LYS A 23 -10.186 5.089 7.869 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.196 7.854 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.474 7.581 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.839 6.888 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.234 8.919 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.762 9.571 8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.116 9.902 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.652 9.125 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.008 10.923 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.794 11.484 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.705 12.950 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.564 12.217 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.740 11.673 9.308 1.00 0.00 H new ATOM 387 N CYS A 24 -8.513 8.416 8.738 1.00 0.00 N ATOM 388 CA CYS A 24 -7.353 8.631 9.591 1.00 0.00 C ATOM 389 C CYS A 24 -7.747 9.387 10.854 1.00 0.00 C ATOM 390 O CYS A 24 -8.359 10.453 10.787 1.00 0.00 O ATOM 391 CB CYS A 24 -6.273 9.407 8.833 1.00 0.00 C ATOM 392 SG CYS A 24 -4.761 8.463 8.532 1.00 0.00 S ATOM 0 H CYS A 24 -8.775 9.223 8.172 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.955 7.658 9.878 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.680 9.735 7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.022 10.305 9.398 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.910 9.202 7.884 1.00 0.00 H new ATOM 398 N VAL A 25 -7.403 8.820 12.004 1.00 0.00 N ATOM 399 CA VAL A 25 -7.728 9.435 13.285 1.00 0.00 C ATOM 400 C VAL A 25 -6.921 10.711 13.495 1.00 0.00 C ATOM 401 O VAL A 25 -7.289 11.566 14.300 1.00 0.00 O ATOM 402 CB VAL A 25 -7.464 8.470 14.457 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.351 8.816 15.643 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.682 7.028 14.020 1.00 0.00 C ATOM 0 H VAL A 25 -6.899 7.936 12.076 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.790 9.678 13.263 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.425 8.578 14.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.151 8.124 16.461 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.141 9.835 15.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.398 8.738 15.350 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.491 6.360 14.860 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.711 6.902 13.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.000 6.788 13.204 1.00 0.00 H new ATOM 414 N CYS A 26 -5.824 10.835 12.755 1.00 0.00 N ATOM 415 CA CYS A 26 -4.967 12.010 12.847 1.00 0.00 C ATOM 416 C CYS A 26 -5.670 13.239 12.280 1.00 0.00 C ATOM 417 O CYS A 26 -5.411 14.365 12.705 1.00 0.00 O ATOM 418 CB CYS A 26 -3.653 11.768 12.101 1.00 0.00 C ATOM 419 SG CYS A 26 -2.594 13.228 11.974 1.00 0.00 S ATOM 0 H CYS A 26 -5.508 10.135 12.084 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.750 12.191 13.900 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.101 10.976 12.607 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.879 11.408 11.097 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.296 14.295 12.215 1.00 0.00 H new ATOM 425 N GLY A 27 -6.564 13.015 11.320 1.00 0.00 N ATOM 426 CA GLY A 27 -7.294 14.113 10.713 1.00 0.00 C ATOM 427 C GLY A 27 -7.287 14.050 9.197 1.00 0.00 C ATOM 428 O GLY A 27 -6.805 14.970 8.537 1.00 0.00 O ATOM 0 H GLY A 27 -6.795 12.092 10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.324 14.100 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.857 15.058 11.036 1.00 0.00 H new ATOM 432 N ARG A 28 -7.843 12.972 8.648 1.00 0.00 N ATOM 433 CA ARG A 28 -7.902 12.781 7.203 1.00 0.00 C ATOM 434 C ARG A 28 -8.741 11.554 6.850 1.00 0.00 C ATOM 435 O ARG A 28 -9.485 11.040 7.685 1.00 0.00 O ATOM 436 CB ARG A 28 -6.493 12.626 6.629 1.00 0.00 C ATOM 437 CG ARG A 28 -5.982 13.880 5.940 1.00 0.00 C ATOM 438 CD ARG A 28 -4.492 14.077 6.166 1.00 0.00 C ATOM 439 NE ARG A 28 -3.778 14.340 4.918 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.245 15.518 4.606 1.00 0.00 C ATOM 441 NH1 ARG A 28 -3.343 16.540 5.446 1.00 0.00 N ATOM 442 NH2 ARG A 28 -2.612 15.673 3.451 1.00 0.00 N ATOM 0 H ARG A 28 -8.261 12.214 9.187 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.372 13.662 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.808 12.357 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.487 11.801 5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.183 13.815 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.525 14.748 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.337 14.908 6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.077 13.188 6.641 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.683 13.577 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.829 16.424 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.933 17.441 5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.534 14.889 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.203 16.576 3.211 1.00 0.00 H new ATOM 456 N THR A 29 -8.612 11.090 5.610 1.00 0.00 N ATOM 457 CA THR A 29 -9.357 9.923 5.147 1.00 0.00 C ATOM 458 C THR A 29 -8.467 9.012 4.307 1.00 0.00 C ATOM 459 O THR A 29 -7.703 9.480 3.463 1.00 0.00 O ATOM 460 CB THR A 29 -10.575 10.362 4.330 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.434 11.175 5.111 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.394 9.204 3.801 1.00 0.00 C ATOM 0 H THR A 29 -7.999 11.504 4.908 1.00 0.00 H new ATOM 0 HA THR A 29 -9.696 9.366 6.020 1.00 0.00 H new ATOM 0 HB THR A 29 -10.169 10.914 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.206 11.447 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.241 9.587 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.773 8.584 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.759 8.605 4.636 1.00 0.00 H new ATOM 470 N VAL A 30 -8.569 7.707 4.550 1.00 0.00 N ATOM 471 CA VAL A 30 -7.765 6.730 3.824 1.00 0.00 C ATOM 472 C VAL A 30 -8.548 6.115 2.671 1.00 0.00 C ATOM 473 O VAL A 30 -9.590 5.492 2.875 1.00 0.00 O ATOM 474 CB VAL A 30 -7.270 5.610 4.753 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.193 4.786 4.067 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.752 6.197 6.052 1.00 0.00 C ATOM 0 H VAL A 30 -9.200 7.304 5.243 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.904 7.266 3.424 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.107 4.951 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.854 3.998 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.599 4.339 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.352 5.429 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.404 5.393 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.926 6.876 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.553 6.744 6.549 1.00 0.00 H new ATOM 486 N ASN A 31 -8.059 6.329 1.458 1.00 0.00 N ATOM 487 CA ASN A 31 -8.718 5.810 0.263 1.00 0.00 C ATOM 488 C ASN A 31 -7.991 4.594 -0.307 1.00 0.00 C ATOM 489 O ASN A 31 -6.836 4.690 -0.726 1.00 0.00 O ATOM 490 CB ASN A 31 -8.804 6.903 -0.804 1.00 0.00 C ATOM 491 CG ASN A 31 -10.125 6.881 -1.548 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.382 5.987 -2.354 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.971 7.869 -1.282 1.00 0.00 N ATOM 0 H ASN A 31 -7.207 6.859 1.273 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.720 5.495 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.671 7.877 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.987 6.778 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.875 7.907 -1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.717 8.590 -0.606 1.00 0.00 H new ATOM 500 N VAL A 32 -8.668 3.449 -0.326 1.00 0.00 N ATOM 501 CA VAL A 32 -8.093 2.246 -0.920 1.00 0.00 C ATOM 502 C VAL A 32 -7.937 2.439 -2.430 1.00 0.00 C ATOM 503 O VAL A 32 -8.250 3.510 -2.952 1.00 0.00 O ATOM 504 CB VAL A 32 -8.935 0.987 -0.612 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.463 1.041 0.815 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.079 0.817 -1.599 1.00 0.00 C ATOM 0 H VAL A 32 -9.605 3.329 0.059 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.111 2.087 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.283 0.119 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.054 0.148 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.626 1.088 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.088 1.926 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.646 -0.079 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.734 1.687 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.678 0.721 -2.608 1.00 0.00 H new ATOM 516 N LYS A 33 -7.446 1.420 -3.132 1.00 0.00 N ATOM 517 CA LYS A 33 -7.262 1.525 -4.579 1.00 0.00 C ATOM 518 C LYS A 33 -8.586 1.835 -5.272 1.00 0.00 C ATOM 519 O LYS A 33 -9.623 1.972 -4.622 1.00 0.00 O ATOM 520 CB LYS A 33 -6.656 0.240 -5.153 1.00 0.00 C ATOM 521 CG LYS A 33 -7.506 -0.997 -4.939 1.00 0.00 C ATOM 522 CD LYS A 33 -7.321 -1.991 -6.076 1.00 0.00 C ATOM 523 CE LYS A 33 -5.927 -2.600 -6.069 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.445 -2.904 -7.445 1.00 0.00 N ATOM 0 H LYS A 33 -7.171 0.524 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.569 2.345 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.493 0.375 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.678 0.078 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.238 -1.467 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.556 -0.713 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.065 -2.783 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.495 -1.491 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.233 -1.912 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.934 -3.515 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.492 -3.317 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.092 -3.580 -7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.414 -2.027 -8.003 1.00 0.00 H new ATOM 538 N ASP A 34 -8.548 1.927 -6.596 1.00 0.00 N ATOM 539 CA ASP A 34 -9.745 2.225 -7.370 1.00 0.00 C ATOM 540 C ASP A 34 -10.471 0.940 -7.743 1.00 0.00 C ATOM 541 O ASP A 34 -11.700 0.912 -7.827 1.00 0.00 O ATOM 542 CB ASP A 34 -9.381 3.009 -8.632 1.00 0.00 C ATOM 543 CG ASP A 34 -10.496 3.931 -9.084 1.00 0.00 C ATOM 544 OD1 ASP A 34 -11.643 3.455 -9.214 1.00 0.00 O ATOM 545 OD2 ASP A 34 -10.221 5.129 -9.308 1.00 0.00 O ATOM 0 H ASP A 34 -7.704 1.800 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.408 2.835 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.482 3.596 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.144 2.310 -9.434 1.00 0.00 H new ATOM 550 N ARG A 35 -9.705 -0.125 -7.947 1.00 0.00 N ATOM 551 CA ARG A 35 -10.277 -1.420 -8.285 1.00 0.00 C ATOM 552 C ARG A 35 -10.668 -2.186 -7.019 1.00 0.00 C ATOM 553 O ARG A 35 -11.600 -1.797 -6.316 1.00 0.00 O ATOM 554 CB ARG A 35 -9.288 -2.235 -9.124 1.00 0.00 C ATOM 555 CG ARG A 35 -9.350 -1.922 -10.611 1.00 0.00 C ATOM 556 CD ARG A 35 -8.468 -2.864 -11.415 1.00 0.00 C ATOM 557 NE ARG A 35 -7.755 -2.169 -12.484 1.00 0.00 N ATOM 558 CZ ARG A 35 -7.448 -2.727 -13.652 1.00 0.00 C ATOM 559 NH1 ARG A 35 -7.790 -3.984 -13.900 1.00 0.00 N ATOM 560 NH2 ARG A 35 -6.798 -2.028 -14.572 1.00 0.00 N ATOM 0 H ARG A 35 -8.687 -0.116 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.179 -1.255 -8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.277 -2.047 -8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.487 -3.296 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.380 -2.001 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.035 -0.893 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.748 -3.342 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.081 -3.657 -11.844 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.477 -1.201 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.290 -4.525 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.553 -4.410 -14.796 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.533 -1.061 -14.385 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.563 -2.457 -15.467 1.00 0.00 H new ATOM 574 N ARG A 36 -9.990 -3.303 -6.764 1.00 0.00 N ATOM 575 CA ARG A 36 -10.263 -4.114 -5.581 1.00 0.00 C ATOM 576 C ARG A 36 -9.577 -3.533 -4.344 1.00 0.00 C ATOM 577 O ARG A 36 -10.101 -2.622 -3.702 1.00 0.00 O ATOM 578 CB ARG A 36 -9.812 -5.558 -5.813 1.00 0.00 C ATOM 579 CG ARG A 36 -10.280 -6.136 -7.141 1.00 0.00 C ATOM 580 CD ARG A 36 -11.086 -7.410 -6.945 1.00 0.00 C ATOM 581 NE ARG A 36 -11.348 -8.092 -8.211 1.00 0.00 N ATOM 582 CZ ARG A 36 -10.460 -8.865 -8.829 1.00 0.00 C ATOM 583 NH1 ARG A 36 -9.258 -9.054 -8.301 1.00 0.00 N ATOM 584 NH2 ARG A 36 -10.775 -9.451 -9.977 1.00 0.00 N ATOM 0 H ARG A 36 -9.247 -3.667 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.339 -4.105 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.724 -5.601 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.188 -6.182 -5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.887 -5.398 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.416 -6.345 -7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.547 -8.081 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.032 -7.170 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.263 -7.968 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.013 -8.606 -7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.579 -9.648 -8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.699 -9.309 -10.386 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.094 -10.044 -10.451 1.00 0.00 H new ATOM 598 N ILE A 37 -8.402 -4.071 -4.019 1.00 0.00 N ATOM 599 CA ILE A 37 -7.628 -3.610 -2.870 1.00 0.00 C ATOM 600 C ILE A 37 -6.146 -3.908 -3.074 1.00 0.00 C ATOM 601 O ILE A 37 -5.785 -4.894 -3.720 1.00 0.00 O ATOM 602 CB ILE A 37 -8.122 -4.268 -1.558 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.956 -3.269 -0.746 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.955 -4.799 -0.729 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.133 -2.250 0.015 1.00 0.00 C ATOM 0 H ILE A 37 -7.964 -4.831 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.769 -2.532 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.752 -5.118 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.632 -2.743 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.576 -3.820 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.336 -5.255 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.409 -5.545 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.286 -3.977 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.797 -1.582 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.476 -2.764 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.533 -1.670 -0.686 1.00 0.00 H new ATOM 617 N PHE A 38 -5.292 -3.065 -2.506 1.00 0.00 N ATOM 618 CA PHE A 38 -3.853 -3.264 -2.601 1.00 0.00 C ATOM 619 C PHE A 38 -3.352 -4.072 -1.411 1.00 0.00 C ATOM 620 O PHE A 38 -3.959 -4.055 -0.343 1.00 0.00 O ATOM 621 CB PHE A 38 -3.131 -1.916 -2.662 1.00 0.00 C ATOM 622 CG PHE A 38 -1.806 -1.977 -3.368 1.00 0.00 C ATOM 623 CD1 PHE A 38 -1.724 -1.777 -4.736 1.00 0.00 C ATOM 624 CD2 PHE A 38 -0.643 -2.236 -2.660 1.00 0.00 C ATOM 625 CE1 PHE A 38 -0.506 -1.832 -5.386 1.00 0.00 C ATOM 626 CE2 PHE A 38 0.577 -2.293 -3.305 1.00 0.00 C ATOM 627 CZ PHE A 38 0.647 -2.091 -4.669 1.00 0.00 C ATOM 0 H PHE A 38 -5.571 -2.239 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.640 -3.817 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.770 -1.193 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.976 -1.549 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.622 -1.576 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.691 -2.395 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.455 -1.673 -6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.476 -2.496 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.600 -2.135 -5.175 1.00 0.00 H new ATOM 637 N GLY A 39 -2.259 -4.798 -1.609 1.00 0.00 N ATOM 638 CA GLY A 39 -1.700 -5.611 -0.545 1.00 0.00 C ATOM 639 C GLY A 39 -2.741 -6.483 0.129 1.00 0.00 C ATOM 640 O GLY A 39 -3.341 -6.086 1.128 1.00 0.00 O ATOM 0 H GLY A 39 -1.748 -4.839 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.910 -6.243 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.238 -4.962 0.199 1.00 0.00 H new ATOM 644 N ARG A 40 -2.967 -7.669 -0.423 1.00 0.00 N ATOM 645 CA ARG A 40 -3.932 -8.598 0.146 1.00 0.00 C ATOM 646 C ARG A 40 -3.245 -9.526 1.137 1.00 0.00 C ATOM 647 O ARG A 40 -2.724 -10.578 0.764 1.00 0.00 O ATOM 648 CB ARG A 40 -4.608 -9.413 -0.955 1.00 0.00 C ATOM 649 CG ARG A 40 -6.066 -9.728 -0.666 1.00 0.00 C ATOM 650 CD ARG A 40 -6.202 -10.884 0.311 1.00 0.00 C ATOM 651 NE ARG A 40 -7.251 -11.817 -0.086 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.049 -12.856 -0.891 1.00 0.00 C ATOM 653 NH1 ARG A 40 -5.839 -13.095 -1.381 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.056 -13.659 -1.206 1.00 0.00 N ATOM 0 H ARG A 40 -2.496 -8.008 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.696 -8.024 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.542 -8.865 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.063 -10.347 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.556 -8.845 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.578 -9.974 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.252 -11.414 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.421 -10.494 1.305 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.193 -11.664 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.061 -12.481 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.687 -13.893 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.987 -13.480 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.899 -14.455 -1.824 1.00 0.00 H new ATOM 668 N ALA A 41 -3.214 -9.108 2.394 1.00 0.00 N ATOM 669 CA ALA A 41 -2.556 -9.879 3.439 1.00 0.00 C ATOM 670 C ALA A 41 -3.544 -10.755 4.195 1.00 0.00 C ATOM 671 O ALA A 41 -4.489 -10.258 4.804 1.00 0.00 O ATOM 672 CB ALA A 41 -1.835 -8.948 4.398 1.00 0.00 C ATOM 0 H ALA A 41 -3.638 -8.238 2.716 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.829 -10.537 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.346 -9.534 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.087 -8.373 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.554 -8.268 4.854 1.00 0.00 H new ATOM 678 N ASP A 42 -3.309 -12.061 4.166 1.00 0.00 N ATOM 679 CA ASP A 42 -4.159 -13.003 4.876 1.00 0.00 C ATOM 680 C ASP A 42 -3.740 -13.093 6.339 1.00 0.00 C ATOM 681 O ASP A 42 -4.579 -13.213 7.232 1.00 0.00 O ATOM 682 CB ASP A 42 -4.083 -14.386 4.225 1.00 0.00 C ATOM 683 CG ASP A 42 -2.952 -14.497 3.221 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.833 -14.877 3.627 1.00 0.00 O ATOM 685 OD2 ASP A 42 -3.184 -14.204 2.030 1.00 0.00 O ATOM 0 H ASP A 42 -2.536 -12.490 3.658 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.188 -12.647 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.951 -15.141 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.028 -14.601 3.727 1.00 0.00 H new ATOM 690 N ASP A 43 -2.431 -13.066 6.570 1.00 0.00 N ATOM 691 CA ASP A 43 -1.886 -13.125 7.920 1.00 0.00 C ATOM 692 C ASP A 43 -1.760 -11.729 8.517 1.00 0.00 C ATOM 693 O ASP A 43 -1.296 -10.803 7.851 1.00 0.00 O ATOM 694 CB ASP A 43 -0.520 -13.814 7.911 1.00 0.00 C ATOM 695 CG ASP A 43 -0.574 -15.214 8.490 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.534 -15.345 9.732 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.656 -16.180 7.703 1.00 0.00 O ATOM 0 H ASP A 43 -1.726 -13.003 5.835 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.573 -13.704 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.147 -13.861 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.190 -13.215 8.482 1.00 0.00 H new ATOM 702 N PHE A 44 -2.171 -11.582 9.772 1.00 0.00 N ATOM 703 CA PHE A 44 -2.083 -10.297 10.456 1.00 0.00 C ATOM 704 C PHE A 44 -0.645 -9.782 10.451 1.00 0.00 C ATOM 705 O PHE A 44 -0.404 -8.580 10.348 1.00 0.00 O ATOM 706 CB PHE A 44 -2.598 -10.421 11.895 1.00 0.00 C ATOM 707 CG PHE A 44 -1.623 -11.067 12.839 1.00 0.00 C ATOM 708 CD1 PHE A 44 -1.440 -12.440 12.836 1.00 0.00 C ATOM 709 CD2 PHE A 44 -0.885 -10.300 13.727 1.00 0.00 C ATOM 710 CE1 PHE A 44 -0.542 -13.037 13.701 1.00 0.00 C ATOM 711 CE2 PHE A 44 0.014 -10.890 14.594 1.00 0.00 C ATOM 712 CZ PHE A 44 0.186 -12.260 14.581 1.00 0.00 C ATOM 0 H PHE A 44 -2.567 -12.335 10.335 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.708 -9.581 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.846 -9.427 12.268 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.522 -10.999 11.891 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.006 -13.052 12.149 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.015 -9.228 13.741 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.410 -14.109 13.689 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.582 -10.280 15.281 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.889 -12.723 15.258 1.00 0.00 H new ATOM 722 N GLU A 45 0.305 -10.707 10.561 1.00 0.00 N ATOM 723 CA GLU A 45 1.720 -10.358 10.566 1.00 0.00 C ATOM 724 C GLU A 45 2.159 -9.825 9.207 1.00 0.00 C ATOM 725 O GLU A 45 2.936 -8.873 9.124 1.00 0.00 O ATOM 726 CB GLU A 45 2.563 -11.579 10.940 1.00 0.00 C ATOM 727 CG GLU A 45 3.586 -11.302 12.030 1.00 0.00 C ATOM 728 CD GLU A 45 5.002 -11.227 11.495 1.00 0.00 C ATOM 729 OE1 GLU A 45 5.286 -10.313 10.691 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.829 -12.080 11.880 1.00 0.00 O ATOM 0 H GLU A 45 0.118 -11.706 10.648 1.00 0.00 H new ATOM 0 HA GLU A 45 1.871 -9.574 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.901 -12.380 11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.080 -11.939 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.338 -10.363 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.528 -12.086 12.785 1.00 0.00 H new ATOM 737 N GLU A 46 1.657 -10.445 8.143 1.00 0.00 N ATOM 738 CA GLU A 46 2.001 -10.036 6.787 1.00 0.00 C ATOM 739 C GLU A 46 1.430 -8.658 6.473 1.00 0.00 C ATOM 740 O GLU A 46 1.992 -7.911 5.672 1.00 0.00 O ATOM 741 CB GLU A 46 1.479 -11.059 5.776 1.00 0.00 C ATOM 742 CG GLU A 46 2.388 -12.263 5.599 1.00 0.00 C ATOM 743 CD GLU A 46 2.116 -13.015 4.311 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.373 -12.450 3.227 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.644 -14.169 4.387 1.00 0.00 O ATOM 0 H GLU A 46 1.011 -11.232 8.195 1.00 0.00 H new ATOM 0 HA GLU A 46 3.087 -9.984 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.495 -11.402 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.348 -10.569 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.427 -11.934 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.258 -12.939 6.444 1.00 0.00 H new ATOM 752 N ALA A 47 0.307 -8.331 7.105 1.00 0.00 N ATOM 753 CA ALA A 47 -0.343 -7.041 6.899 1.00 0.00 C ATOM 754 C ALA A 47 0.593 -5.889 7.254 1.00 0.00 C ATOM 755 O ALA A 47 0.801 -4.978 6.454 1.00 0.00 O ATOM 756 CB ALA A 47 -1.621 -6.956 7.720 1.00 0.00 C ATOM 0 H ALA A 47 -0.173 -8.943 7.765 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.596 -6.956 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.095 -5.988 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.303 -7.750 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.382 -7.069 8.778 1.00 0.00 H new ATOM 762 N SER A 48 1.150 -5.937 8.461 1.00 0.00 N ATOM 763 CA SER A 48 2.055 -4.893 8.930 1.00 0.00 C ATOM 764 C SER A 48 3.265 -4.756 8.011 1.00 0.00 C ATOM 765 O SER A 48 3.760 -3.652 7.784 1.00 0.00 O ATOM 766 CB SER A 48 2.516 -5.197 10.358 1.00 0.00 C ATOM 767 OG SER A 48 3.780 -4.616 10.623 1.00 0.00 O ATOM 0 H SER A 48 0.990 -6.688 9.132 1.00 0.00 H new ATOM 0 HA SER A 48 1.512 -3.948 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.782 -4.817 11.069 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.571 -6.276 10.503 1.00 0.00 H new ATOM 0 HG SER A 48 4.050 -4.824 11.542 1.00 0.00 H new ATOM 773 N GLU A 49 3.742 -5.882 7.491 1.00 0.00 N ATOM 774 CA GLU A 49 4.897 -5.885 6.601 1.00 0.00 C ATOM 775 C GLU A 49 4.546 -5.270 5.250 1.00 0.00 C ATOM 776 O GLU A 49 5.362 -4.574 4.644 1.00 0.00 O ATOM 777 CB GLU A 49 5.411 -7.312 6.409 1.00 0.00 C ATOM 778 CG GLU A 49 6.558 -7.679 7.338 1.00 0.00 C ATOM 779 CD GLU A 49 7.698 -6.681 7.283 1.00 0.00 C ATOM 780 OE1 GLU A 49 8.577 -6.831 6.410 1.00 0.00 O ATOM 781 OE2 GLU A 49 7.711 -5.748 8.114 1.00 0.00 O ATOM 0 H GLU A 49 3.346 -6.805 7.671 1.00 0.00 H new ATOM 0 HA GLU A 49 5.681 -5.282 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.589 -8.009 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.738 -7.435 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.186 -7.743 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.933 -8.668 7.073 1.00 0.00 H new ATOM 788 N LEU A 50 3.330 -5.533 4.782 1.00 0.00 N ATOM 789 CA LEU A 50 2.868 -5.006 3.505 1.00 0.00 C ATOM 790 C LEU A 50 2.698 -3.493 3.569 1.00 0.00 C ATOM 791 O LEU A 50 3.111 -2.772 2.661 1.00 0.00 O ATOM 792 CB LEU A 50 1.541 -5.661 3.112 1.00 0.00 C ATOM 793 CG LEU A 50 1.629 -6.660 1.956 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.300 -7.373 1.768 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.045 -5.953 0.675 1.00 0.00 C ATOM 0 H LEU A 50 2.646 -6.110 5.271 1.00 0.00 H new ATOM 0 HA LEU A 50 3.621 -5.237 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.134 -6.173 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.833 -4.878 2.842 1.00 0.00 H new ATOM 0 HG LEU A 50 2.386 -7.406 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.380 -8.080 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.043 -7.910 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.477 -6.642 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.103 -6.677 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.310 -5.187 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.020 -5.487 0.817 1.00 0.00 H new ATOM 807 N VAL A 51 2.107 -3.018 4.661 1.00 0.00 N ATOM 808 CA VAL A 51 1.878 -1.591 4.853 1.00 0.00 C ATOM 809 C VAL A 51 3.195 -0.829 4.939 1.00 0.00 C ATOM 810 O VAL A 51 3.328 0.258 4.380 1.00 0.00 O ATOM 811 CB VAL A 51 1.065 -1.327 6.134 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.833 0.164 6.327 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.258 -2.077 6.093 1.00 0.00 C ATOM 0 H VAL A 51 1.777 -3.603 5.429 1.00 0.00 H new ATOM 0 HA VAL A 51 1.314 -1.240 3.989 1.00 0.00 H new ATOM 0 HB VAL A 51 1.639 -1.694 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.257 0.328 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.793 0.674 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.283 0.560 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.818 -1.878 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.838 -1.745 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.067 -3.147 6.011 1.00 0.00 H new ATOM 823 N ARG A 52 4.167 -1.404 5.644 1.00 0.00 N ATOM 824 CA ARG A 52 5.473 -0.774 5.790 1.00 0.00 C ATOM 825 C ARG A 52 6.153 -0.648 4.434 1.00 0.00 C ATOM 826 O ARG A 52 6.729 0.393 4.112 1.00 0.00 O ATOM 827 CB ARG A 52 6.354 -1.578 6.746 1.00 0.00 C ATOM 828 CG ARG A 52 7.271 -0.715 7.597 1.00 0.00 C ATOM 829 CD ARG A 52 8.377 -1.538 8.238 1.00 0.00 C ATOM 830 NE ARG A 52 9.640 -0.806 8.296 1.00 0.00 N ATOM 831 CZ ARG A 52 9.963 0.030 9.278 1.00 0.00 C ATOM 832 NH1 ARG A 52 9.121 0.240 10.281 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.131 0.659 9.258 1.00 0.00 N ATOM 0 H ARG A 52 4.074 -2.301 6.120 1.00 0.00 H new ATOM 0 HA ARG A 52 5.328 0.223 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.717 -2.173 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.959 -2.277 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.711 0.069 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.688 -0.220 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.078 -1.825 9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.517 -2.459 7.673 1.00 0.00 H new ATOM 0 HE ARG A 52 10.312 -0.944 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.222 -0.241 10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.373 0.882 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.782 0.501 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.378 1.300 10.012 1.00 0.00 H new ATOM 847 N LYS A 53 6.059 -1.702 3.631 1.00 0.00 N ATOM 848 CA LYS A 53 6.617 -1.681 2.289 1.00 0.00 C ATOM 849 C LYS A 53 5.860 -0.667 1.444 1.00 0.00 C ATOM 850 O LYS A 53 6.433 -0.001 0.581 1.00 0.00 O ATOM 851 CB LYS A 53 6.535 -3.068 1.650 1.00 0.00 C ATOM 852 CG LYS A 53 7.892 -3.702 1.390 1.00 0.00 C ATOM 853 CD LYS A 53 7.757 -5.165 1.001 1.00 0.00 C ATOM 854 CE LYS A 53 9.065 -5.724 0.465 1.00 0.00 C ATOM 855 NZ LYS A 53 8.844 -6.689 -0.647 1.00 0.00 N ATOM 0 H LYS A 53 5.603 -2.578 3.887 1.00 0.00 H new ATOM 0 HA LYS A 53 7.667 -1.395 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.956 -3.724 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.992 -2.993 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.403 -3.159 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.512 -3.617 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.441 -5.745 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.978 -5.271 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.693 -4.905 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.606 -6.218 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.761 -7.046 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.266 -7.484 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.351 -6.211 -1.428 1.00 0.00 H new ATOM 869 N LEU A 54 4.563 -0.550 1.718 1.00 0.00 N ATOM 870 CA LEU A 54 3.715 0.415 1.035 1.00 0.00 C ATOM 871 C LEU A 54 4.118 1.833 1.421 1.00 0.00 C ATOM 872 O LEU A 54 3.971 2.771 0.637 1.00 0.00 O ATOM 873 CB LEU A 54 2.245 0.174 1.397 1.00 0.00 C ATOM 874 CG LEU A 54 1.396 -0.490 0.308 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.237 0.440 -0.885 1.00 0.00 C ATOM 876 CD2 LEU A 54 2.003 -1.818 -0.119 1.00 0.00 C ATOM 0 H LEU A 54 4.077 -1.117 2.413 1.00 0.00 H new ATOM 0 HA LEU A 54 3.840 0.292 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.207 -0.447 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.791 1.131 1.654 1.00 0.00 H new ATOM 0 HG LEU A 54 0.407 -0.690 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.631 -0.048 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.747 1.360 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.219 0.675 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.382 -2.270 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.006 -1.650 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.056 -2.487 0.740 1.00 0.00 H new ATOM 888 N GLN A 55 4.621 1.976 2.645 1.00 0.00 N ATOM 889 CA GLN A 55 5.041 3.273 3.160 1.00 0.00 C ATOM 890 C GLN A 55 6.285 3.779 2.437 1.00 0.00 C ATOM 891 O GLN A 55 6.676 3.243 1.399 1.00 0.00 O ATOM 892 CB GLN A 55 5.320 3.179 4.662 1.00 0.00 C ATOM 893 CG GLN A 55 4.197 3.734 5.524 1.00 0.00 C ATOM 894 CD GLN A 55 4.267 5.241 5.674 1.00 0.00 C ATOM 895 OE1 GLN A 55 3.842 5.986 4.791 1.00 0.00 O ATOM 896 NE2 GLN A 55 4.806 5.697 6.799 1.00 0.00 N ATOM 0 H GLN A 55 4.747 1.204 3.300 1.00 0.00 H new ATOM 0 HA GLN A 55 4.231 3.981 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.489 2.135 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.240 3.718 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.238 3.461 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.239 3.272 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.145 5.042 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.881 6.702 6.958 1.00 0.00 H new ATOM 905 N GLU A 56 6.901 4.817 2.994 1.00 0.00 N ATOM 906 CA GLU A 56 8.105 5.399 2.414 1.00 0.00 C ATOM 907 C GLU A 56 9.328 4.539 2.723 1.00 0.00 C ATOM 908 O GLU A 56 9.888 4.610 3.817 1.00 0.00 O ATOM 909 CB GLU A 56 8.316 6.816 2.950 1.00 0.00 C ATOM 910 CG GLU A 56 9.342 7.618 2.166 1.00 0.00 C ATOM 911 CD GLU A 56 8.753 8.867 1.541 1.00 0.00 C ATOM 912 OE1 GLU A 56 8.134 9.663 2.278 1.00 0.00 O ATOM 913 OE2 GLU A 56 8.911 9.049 0.316 1.00 0.00 O ATOM 0 H GLU A 56 6.584 5.273 3.849 1.00 0.00 H new ATOM 0 HA GLU A 56 7.976 5.440 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.364 7.347 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.632 6.758 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.161 7.899 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.767 6.990 1.383 1.00 0.00 H new ATOM 920 N GLU A 57 9.735 3.727 1.752 1.00 0.00 N ATOM 921 CA GLU A 57 10.889 2.851 1.923 1.00 0.00 C ATOM 922 C GLU A 57 12.193 3.633 1.803 1.00 0.00 C ATOM 923 O GLU A 57 12.246 4.676 1.149 1.00 0.00 O ATOM 924 CB GLU A 57 10.859 1.727 0.885 1.00 0.00 C ATOM 925 CG GLU A 57 11.292 0.378 1.437 1.00 0.00 C ATOM 926 CD GLU A 57 11.143 -0.742 0.427 1.00 0.00 C ATOM 927 OE1 GLU A 57 11.657 -0.595 -0.701 1.00 0.00 O ATOM 928 OE2 GLU A 57 10.513 -1.767 0.764 1.00 0.00 O ATOM 0 H GLU A 57 9.284 3.657 0.840 1.00 0.00 H new ATOM 0 HA GLU A 57 10.838 2.418 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.849 1.639 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.509 1.995 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.332 0.438 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.700 0.145 2.322 1.00 0.00 H new ATOM 935 N LYS A 58 13.245 3.118 2.432 1.00 0.00 N ATOM 936 CA LYS A 58 14.551 3.763 2.405 1.00 0.00 C ATOM 937 C LYS A 58 15.292 3.459 1.105 1.00 0.00 C ATOM 938 O LYS A 58 16.518 3.349 1.091 1.00 0.00 O ATOM 939 CB LYS A 58 15.390 3.303 3.599 1.00 0.00 C ATOM 940 CG LYS A 58 16.483 4.285 3.989 1.00 0.00 C ATOM 941 CD LYS A 58 17.070 3.953 5.351 1.00 0.00 C ATOM 942 CE LYS A 58 18.411 3.250 5.224 1.00 0.00 C ATOM 943 NZ LYS A 58 19.497 3.992 5.922 1.00 0.00 N ATOM 0 H LYS A 58 13.217 2.251 2.969 1.00 0.00 H new ATOM 0 HA LYS A 58 14.394 4.840 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.733 3.145 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.845 2.341 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.273 4.269 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.077 5.296 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.192 4.869 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.376 3.318 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.334 2.245 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.665 3.142 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.395 3.479 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.588 4.943 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.267 4.073 6.933 1.00 0.00 H new ATOM 957 N TYR A 59 14.545 3.329 0.014 1.00 0.00 N ATOM 958 CA TYR A 59 15.138 3.036 -1.286 1.00 0.00 C ATOM 959 C TYR A 59 15.505 4.324 -2.020 1.00 0.00 C ATOM 960 O TYR A 59 16.248 4.301 -3.001 1.00 0.00 O ATOM 961 CB TYR A 59 14.174 2.194 -2.131 1.00 0.00 C ATOM 962 CG TYR A 59 13.277 3.004 -3.043 1.00 0.00 C ATOM 963 CD1 TYR A 59 12.256 3.792 -2.525 1.00 0.00 C ATOM 964 CD2 TYR A 59 13.453 2.979 -4.420 1.00 0.00 C ATOM 965 CE1 TYR A 59 11.437 4.534 -3.355 1.00 0.00 C ATOM 966 CE2 TYR A 59 12.637 3.717 -5.256 1.00 0.00 C ATOM 967 CZ TYR A 59 11.632 4.492 -4.719 1.00 0.00 C ATOM 968 OH TYR A 59 10.818 5.228 -5.550 1.00 0.00 O ATOM 0 H TYR A 59 13.529 3.422 0.004 1.00 0.00 H new ATOM 0 HA TYR A 59 16.053 2.466 -1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.753 1.497 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.551 1.597 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.100 3.825 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.240 2.373 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.649 5.143 -2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.786 3.687 -6.325 1.00 0.00 H new ATOM 0 HH TYR A 59 11.089 5.088 -6.481 1.00 0.00 H new ATOM 978 N GLY A 60 14.978 5.446 -1.535 1.00 0.00 N ATOM 979 CA GLY A 60 15.260 6.727 -2.156 1.00 0.00 C ATOM 980 C GLY A 60 16.054 7.648 -1.249 1.00 0.00 C ATOM 981 O GLY A 60 16.176 8.842 -1.521 1.00 0.00 O ATOM 0 H GLY A 60 14.361 5.490 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.815 6.565 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.322 7.210 -2.428 1.00 0.00 H new ATOM 985 N SER A 61 16.598 7.090 -0.172 1.00 0.00 N ATOM 986 CA SER A 61 17.384 7.869 0.778 1.00 0.00 C ATOM 987 C SER A 61 18.851 7.909 0.363 1.00 0.00 C ATOM 988 O SER A 61 19.697 7.244 0.963 1.00 0.00 O ATOM 989 CB SER A 61 17.254 7.280 2.184 1.00 0.00 C ATOM 990 OG SER A 61 17.697 8.201 3.165 1.00 0.00 O ATOM 0 H SER A 61 16.509 6.102 0.064 1.00 0.00 H new ATOM 0 HA SER A 61 16.998 8.888 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.215 7.012 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.838 6.362 2.253 1.00 0.00 H new ATOM 0 HG SER A 61 17.602 7.802 4.055 1.00 0.00 H new ATOM 996 N CYS A 62 19.147 8.693 -0.670 1.00 0.00 N ATOM 997 CA CYS A 62 20.511 8.821 -1.166 1.00 0.00 C ATOM 998 C CYS A 62 21.270 9.898 -0.397 1.00 0.00 C ATOM 999 O CYS A 62 20.671 10.831 0.138 1.00 0.00 O ATOM 1000 CB CYS A 62 20.503 9.155 -2.659 1.00 0.00 C ATOM 1001 SG CYS A 62 21.870 8.419 -3.586 1.00 0.00 S ATOM 0 H CYS A 62 18.459 9.249 -1.179 1.00 0.00 H new ATOM 0 HA CYS A 62 21.017 7.867 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 62 19.561 8.817 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 62 20.538 10.238 -2.779 1.00 0.00 H new ATOM 0 HG CYS A 62 21.777 8.756 -4.838 1.00 0.00 H new ATOM 1007 N HIS A 63 22.592 9.761 -0.344 1.00 0.00 N ATOM 1008 CA HIS A 63 23.433 10.719 0.363 1.00 0.00 C ATOM 1009 C HIS A 63 24.801 10.839 -0.302 1.00 0.00 C ATOM 1010 O HIS A 63 25.834 10.613 0.331 1.00 0.00 O ATOM 1011 CB HIS A 63 23.598 10.300 1.827 1.00 0.00 C ATOM 1012 CG HIS A 63 23.451 11.431 2.797 1.00 0.00 C ATOM 1013 ND1 HIS A 63 24.352 11.622 3.817 1.00 0.00 N ATOM 1014 CD2 HIS A 63 22.496 12.393 2.863 1.00 0.00 C ATOM 1015 CE1 HIS A 63 23.934 12.688 4.477 1.00 0.00 C ATOM 1016 NE2 HIS A 63 22.814 13.187 3.934 1.00 0.00 N ATOM 0 H HIS A 63 23.103 8.995 -0.783 1.00 0.00 H new ATOM 0 HA HIS A 63 22.945 11.693 0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.860 9.533 2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 63 24.581 9.847 1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 63 21.651 12.510 2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 63 24.430 13.103 5.342 1.00 0.00 H new ATOM 0 HE2 HIS A 63 22.296 14.004 4.257 1.00 0.00 H new ATOM 1024 N PHE A 64 24.803 11.195 -1.583 1.00 0.00 N ATOM 1025 CA PHE A 64 26.045 11.344 -2.334 1.00 0.00 C ATOM 1026 C PHE A 64 26.870 12.509 -1.793 1.00 0.00 C ATOM 1027 O PHE A 64 27.693 12.332 -0.895 1.00 0.00 O ATOM 1028 CB PHE A 64 25.746 11.554 -3.821 1.00 0.00 C ATOM 1029 CG PHE A 64 26.151 10.394 -4.684 1.00 0.00 C ATOM 1030 CD1 PHE A 64 25.276 9.344 -4.913 1.00 0.00 C ATOM 1031 CD2 PHE A 64 27.409 10.353 -5.268 1.00 0.00 C ATOM 1032 CE1 PHE A 64 25.647 8.276 -5.708 1.00 0.00 C ATOM 1033 CE2 PHE A 64 27.784 9.287 -6.063 1.00 0.00 C ATOM 1034 CZ PHE A 64 26.902 8.247 -6.283 1.00 0.00 C ATOM 0 H PHE A 64 23.959 11.386 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 64 26.625 10.429 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 64 24.678 11.735 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 64 26.263 12.450 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 64 24.293 9.360 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 64 28.103 11.163 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 64 24.955 7.464 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 64 28.766 9.267 -6.512 1.00 0.00 H new ATOM 0 HZ PHE A 64 27.193 7.413 -6.904 1.00 0.00 H new ATOM 1044 N THR A 65 26.646 13.699 -2.343 1.00 0.00 N ATOM 1045 CA THR A 65 27.368 14.889 -1.911 1.00 0.00 C ATOM 1046 C THR A 65 26.529 15.712 -0.939 1.00 0.00 C ATOM 1047 O THR A 65 25.564 16.364 -1.336 1.00 0.00 O ATOM 1048 CB THR A 65 27.753 15.746 -3.118 1.00 0.00 C ATOM 1049 OG1 THR A 65 27.902 14.942 -4.275 1.00 0.00 O ATOM 1050 CG2 THR A 65 29.042 16.515 -2.920 1.00 0.00 C ATOM 0 H THR A 65 25.970 13.864 -3.089 1.00 0.00 H new ATOM 0 HA THR A 65 28.274 14.565 -1.399 1.00 0.00 H new ATOM 0 HB THR A 65 26.939 16.461 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.147 15.508 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.256 17.102 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 65 28.940 17.182 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 65 29.859 15.816 -2.740 1.00 0.00 H new ATOM 1058 N ASN A 66 26.904 15.679 0.336 1.00 0.00 N ATOM 1059 CA ASN A 66 26.187 16.428 1.361 1.00 0.00 C ATOM 1060 C ASN A 66 26.513 17.917 1.270 1.00 0.00 C ATOM 1061 O ASN A 66 27.679 18.298 1.171 1.00 0.00 O ATOM 1062 CB ASN A 66 26.542 15.897 2.752 1.00 0.00 C ATOM 1063 CG ASN A 66 25.343 15.857 3.678 1.00 0.00 C ATOM 1064 OD1 ASN A 66 24.209 15.669 3.238 1.00 0.00 O ATOM 1065 ND2 ASN A 66 25.589 16.035 4.971 1.00 0.00 N ATOM 0 H ASN A 66 27.699 15.142 0.683 1.00 0.00 H new ATOM 0 HA ASN A 66 25.118 16.297 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.960 14.895 2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 66 27.316 16.526 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.822 16.019 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.545 16.188 5.292 1.00 0.00 H new ATOM 1072 N PRO A 67 25.483 18.784 1.299 1.00 0.00 N ATOM 1073 CA PRO A 67 25.670 20.237 1.207 1.00 0.00 C ATOM 1074 C PRO A 67 26.512 20.790 2.353 1.00 0.00 C ATOM 1075 O PRO A 67 27.356 21.663 2.150 1.00 0.00 O ATOM 1076 CB PRO A 67 24.244 20.796 1.278 1.00 0.00 C ATOM 1077 CG PRO A 67 23.360 19.653 0.914 1.00 0.00 C ATOM 1078 CD PRO A 67 24.060 18.420 1.407 1.00 0.00 C ATOM 0 HA PRO A 67 26.204 20.515 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 67 24.016 21.168 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 67 24.113 21.631 0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 67 22.378 19.756 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 67 23.202 19.609 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 67 23.781 18.180 2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 67 23.819 17.548 0.799 1.00 0.00 H new ATOM 1086 N SER A 68 26.270 20.283 3.558 1.00 0.00 N ATOM 1087 CA SER A 68 26.997 20.736 4.740 1.00 0.00 C ATOM 1088 C SER A 68 28.342 20.027 4.867 1.00 0.00 C ATOM 1089 O SER A 68 29.061 20.214 5.849 1.00 0.00 O ATOM 1090 CB SER A 68 26.161 20.495 5.998 1.00 0.00 C ATOM 1091 OG SER A 68 24.783 20.701 5.743 1.00 0.00 O ATOM 0 H SER A 68 25.576 19.558 3.742 1.00 0.00 H new ATOM 0 HA SER A 68 27.184 21.804 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.320 19.477 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 68 26.491 21.165 6.792 1.00 0.00 H new ATOM 0 HG SER A 68 24.271 20.539 6.563 1.00 0.00 H new ATOM 1097 N LYS A 69 28.677 19.212 3.871 1.00 0.00 N ATOM 1098 CA LYS A 69 29.937 18.478 3.878 1.00 0.00 C ATOM 1099 C LYS A 69 31.050 19.298 3.234 1.00 0.00 C ATOM 1100 O LYS A 69 31.029 19.553 2.030 1.00 0.00 O ATOM 1101 CB LYS A 69 29.780 17.147 3.140 1.00 0.00 C ATOM 1102 CG LYS A 69 29.858 15.933 4.052 1.00 0.00 C ATOM 1103 CD LYS A 69 30.695 14.824 3.434 1.00 0.00 C ATOM 1104 CE LYS A 69 30.665 13.564 4.284 1.00 0.00 C ATOM 1105 NZ LYS A 69 31.951 13.346 5.002 1.00 0.00 N ATOM 0 H LYS A 69 28.095 19.044 3.051 1.00 0.00 H new ATOM 0 HA LYS A 69 30.207 18.283 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 69 28.822 17.140 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 69 30.556 17.070 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 69 30.288 16.224 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 69 28.853 15.563 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 69 30.322 14.599 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 69 31.725 15.164 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.853 13.634 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 69 30.453 12.703 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.889 12.477 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 32.723 13.254 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 32.141 14.155 5.627 1.00 0.00 H new ATOM 1119 N ARG A 70 32.020 19.708 4.045 1.00 0.00 N ATOM 1120 CA ARG A 70 33.144 20.497 3.555 1.00 0.00 C ATOM 1121 C ARG A 70 34.212 19.598 2.940 1.00 0.00 C ATOM 1122 O ARG A 70 35.120 19.133 3.631 1.00 0.00 O ATOM 1123 CB ARG A 70 33.746 21.325 4.691 1.00 0.00 C ATOM 1124 CG ARG A 70 34.832 22.285 4.233 1.00 0.00 C ATOM 1125 CD ARG A 70 36.071 22.183 5.110 1.00 0.00 C ATOM 1126 NE ARG A 70 35.809 22.611 6.481 1.00 0.00 N ATOM 1127 CZ ARG A 70 36.310 23.719 7.017 1.00 0.00 C ATOM 1128 NH1 ARG A 70 37.097 24.511 6.301 1.00 0.00 N ATOM 1129 NH2 ARG A 70 36.023 24.038 8.272 1.00 0.00 N ATOM 0 H ARG A 70 32.050 19.507 5.045 1.00 0.00 H new ATOM 0 HA ARG A 70 32.775 21.171 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 70 32.952 21.892 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 34.161 20.651 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.098 22.068 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 70 34.451 23.306 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.428 21.153 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.867 22.795 4.685 1.00 0.00 H new ATOM 0 HE ARG A 70 35.207 22.026 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.320 24.271 5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 70 37.479 25.361 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 70 35.417 23.433 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 70 36.408 24.889 8.683 1.00 0.00 H new ATOM 1143 N GLU A 71 34.095 19.354 1.639 1.00 0.00 N ATOM 1144 CA GLU A 71 35.047 18.509 0.929 1.00 0.00 C ATOM 1145 C GLU A 71 36.199 19.338 0.370 1.00 0.00 C ATOM 1146 O GLU A 71 35.943 20.188 -0.509 1.00 0.00 O ATOM 1147 CB GLU A 71 34.348 17.758 -0.205 1.00 0.00 C ATOM 1148 CG GLU A 71 33.705 16.452 0.236 1.00 0.00 C ATOM 1149 CD GLU A 71 34.006 15.304 -0.709 1.00 0.00 C ATOM 1150 OE1 GLU A 71 34.491 15.568 -1.829 1.00 0.00 O ATOM 1151 OE2 GLU A 71 33.755 14.142 -0.328 1.00 0.00 O ATOM 1152 OXT GLU A 71 37.348 19.131 0.816 1.00 0.00 O ATOM 0 H GLU A 71 33.349 19.730 1.054 1.00 0.00 H new ATOM 0 HA GLU A 71 35.452 17.787 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 71 33.583 18.402 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 71 35.072 17.549 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 71 34.058 16.197 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 71 32.626 16.588 0.304 1.00 0.00 H new TER 1159 GLU A 71