USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 16 GLN : amide:sc= -0.585 K(o=-1.1,f=-3.8!) USER MOD Set 1.2: A 28 ASN : amide:sc= -0.473 X(o=-1.1,f=-0.77) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.0906 (180deg=-0.176) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.0957 K(o=0.096,f=-1.1) USER MOD Single : A 13 TYR OH : rot 0:sc= 0.0324 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 18 THR OG1 : rot -81:sc= 0.242 USER MOD Single : A 23 ASN : amide:sc= -0.0702 K(o=-0.07,f=-2.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -96:sc= 1.16 USER MOD Single : A 34 CYS SG : rot -175:sc= -8.75! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 40 MET CE :methyl 166:sc= 0 (180deg=-0.314) USER MOD Single : A 42 ASN : amide:sc= 0.0121 K(o=0.012,f=-2.7) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0.73 (180deg=-0.173) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 0.229 (180deg=0.0252) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= 0.294 K(o=0.29,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.963 3.112 -4.221 1.00 0.00 N ATOM 2 CA MET A 1 9.315 2.480 -3.049 1.00 0.00 C ATOM 3 C MET A 1 8.225 3.401 -2.461 1.00 0.00 C ATOM 4 O MET A 1 7.193 2.924 -1.972 1.00 0.00 O ATOM 5 CB MET A 1 10.378 2.119 -1.972 1.00 0.00 C ATOM 6 CG MET A 1 11.141 3.318 -1.372 1.00 0.00 C ATOM 7 SD MET A 1 12.360 2.824 -0.129 1.00 0.00 S ATOM 8 CE MET A 1 12.991 4.417 0.413 1.00 0.00 C ATOM 0 H1 MET A 1 10.620 2.436 -4.661 1.00 0.00 H new ATOM 0 H2 MET A 1 9.237 3.389 -4.912 1.00 0.00 H new ATOM 0 H3 MET A 1 10.489 3.955 -3.914 1.00 0.00 H new ATOM 0 HA MET A 1 8.833 1.559 -3.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.883 1.582 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.101 1.434 -2.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.645 3.860 -2.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.428 4.007 -0.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.751 4.266 1.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.430 4.942 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.175 5.011 0.824 1.00 0.00 H new ATOM 18 N LYS A 2 8.473 4.724 -2.518 1.00 0.00 N ATOM 19 CA LYS A 2 7.577 5.746 -1.973 1.00 0.00 C ATOM 20 C LYS A 2 6.641 6.248 -3.087 1.00 0.00 C ATOM 21 O LYS A 2 7.056 7.010 -3.969 1.00 0.00 O ATOM 22 CB LYS A 2 8.420 6.893 -1.354 1.00 0.00 C ATOM 23 CG LYS A 2 7.602 8.053 -0.737 1.00 0.00 C ATOM 24 CD LYS A 2 8.472 9.021 0.100 1.00 0.00 C ATOM 25 CE LYS A 2 9.075 8.348 1.348 1.00 0.00 C ATOM 26 NZ LYS A 2 9.894 9.295 2.153 1.00 0.00 N ATOM 0 H LYS A 2 9.312 5.111 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 2 6.956 5.329 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.064 6.473 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.072 7.300 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.111 8.610 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.815 7.641 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.277 9.411 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.867 9.873 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.272 7.947 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.693 7.504 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.280 8.801 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.676 9.659 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.299 10.088 2.468 1.00 0.00 H new ATOM 40 N ARG A 3 5.380 5.786 -3.036 1.00 0.00 N ATOM 41 CA ARG A 3 4.347 6.095 -4.051 1.00 0.00 C ATOM 42 C ARG A 3 3.930 7.577 -4.021 1.00 0.00 C ATOM 43 O ARG A 3 3.306 8.039 -4.963 1.00 0.00 O ATOM 44 CB ARG A 3 3.097 5.170 -3.885 1.00 0.00 C ATOM 45 CG ARG A 3 3.233 3.744 -4.481 1.00 0.00 C ATOM 46 CD ARG A 3 4.331 2.896 -3.822 1.00 0.00 C ATOM 47 NE ARG A 3 4.429 1.557 -4.431 1.00 0.00 N ATOM 48 CZ ARG A 3 3.918 0.424 -3.916 1.00 0.00 C ATOM 49 NH1 ARG A 3 3.240 0.435 -2.768 1.00 0.00 N ATOM 50 NH2 ARG A 3 4.088 -0.723 -4.562 1.00 0.00 N ATOM 0 H ARG A 3 5.042 5.183 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 3 4.795 5.900 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.873 5.080 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 3 2.241 5.659 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.279 3.227 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.441 3.825 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.289 3.408 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.123 2.796 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 3 4.927 1.483 -5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.102 1.312 -2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.859 -0.433 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.603 -0.741 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.704 -1.586 -4.178 1.00 0.00 H new ATOM 64 N ALA A 4 4.268 8.297 -2.935 1.00 0.00 N ATOM 65 CA ALA A 4 4.037 9.746 -2.827 1.00 0.00 C ATOM 66 C ALA A 4 5.061 10.506 -3.684 1.00 0.00 C ATOM 67 O ALA A 4 4.705 11.437 -4.402 1.00 0.00 O ATOM 68 CB ALA A 4 4.091 10.194 -1.359 1.00 0.00 C ATOM 0 H ALA A 4 4.708 7.889 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 4 3.040 9.976 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.918 11.269 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.322 9.671 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.071 9.961 -0.943 1.00 0.00 H new ATOM 74 N ALA A 5 6.333 10.063 -3.614 1.00 0.00 N ATOM 75 CA ALA A 5 7.436 10.621 -4.427 1.00 0.00 C ATOM 76 C ALA A 5 7.254 10.253 -5.904 1.00 0.00 C ATOM 77 O ALA A 5 7.597 11.036 -6.791 1.00 0.00 O ATOM 78 CB ALA A 5 8.794 10.118 -3.909 1.00 0.00 C ATOM 0 H ALA A 5 6.626 9.309 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 5 7.414 11.707 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.594 10.538 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.926 10.429 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.826 9.030 -3.968 1.00 0.00 H new ATOM 84 N ALA A 6 6.712 9.042 -6.139 1.00 0.00 N ATOM 85 CA ALA A 6 6.377 8.547 -7.481 1.00 0.00 C ATOM 86 C ALA A 6 5.224 9.362 -8.081 1.00 0.00 C ATOM 87 O ALA A 6 5.305 9.784 -9.228 1.00 0.00 O ATOM 88 CB ALA A 6 6.015 7.055 -7.430 1.00 0.00 C ATOM 0 H ALA A 6 6.494 8.378 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 6 7.251 8.666 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.770 6.706 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.863 6.488 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.155 6.911 -6.775 1.00 0.00 H new ATOM 94 N LYS A 7 4.173 9.597 -7.265 1.00 0.00 N ATOM 95 CA LYS A 7 2.971 10.354 -7.676 1.00 0.00 C ATOM 96 C LYS A 7 3.330 11.810 -7.995 1.00 0.00 C ATOM 97 O LYS A 7 2.831 12.370 -8.965 1.00 0.00 O ATOM 98 CB LYS A 7 1.881 10.300 -6.565 1.00 0.00 C ATOM 99 CG LYS A 7 0.577 11.077 -6.882 1.00 0.00 C ATOM 100 CD LYS A 7 -0.131 10.569 -8.159 1.00 0.00 C ATOM 101 CE LYS A 7 -1.398 11.376 -8.498 1.00 0.00 C ATOM 102 NZ LYS A 7 -2.086 10.835 -9.702 1.00 0.00 N ATOM 0 H LYS A 7 4.135 9.266 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 7 2.571 9.890 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.627 9.257 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.305 10.695 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.105 10.992 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.810 12.135 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.562 10.620 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.397 9.520 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.081 11.356 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.131 12.419 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.935 11.402 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.442 10.877 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.362 9.847 -9.529 1.00 0.00 H new ATOM 116 N HIS A 8 4.201 12.398 -7.151 1.00 0.00 N ATOM 117 CA HIS A 8 4.702 13.775 -7.328 1.00 0.00 C ATOM 118 C HIS A 8 5.608 13.880 -8.556 1.00 0.00 C ATOM 119 O HIS A 8 5.611 14.905 -9.212 1.00 0.00 O ATOM 120 CB HIS A 8 5.436 14.283 -6.058 1.00 0.00 C ATOM 121 CG HIS A 8 4.510 14.752 -4.968 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.440 14.168 -3.728 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.642 15.795 -4.938 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.574 14.822 -2.984 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.077 15.811 -3.697 1.00 0.00 N ATOM 0 H HIS A 8 4.577 11.930 -6.326 1.00 0.00 H new ATOM 0 HA HIS A 8 3.836 14.416 -7.489 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.065 13.482 -5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.099 15.102 -6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 8 4.976 13.353 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.437 16.483 -5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.315 14.587 -1.962 1.00 0.00 H new ATOM 134 N LEU A 9 6.359 12.813 -8.862 1.00 0.00 N ATOM 135 CA LEU A 9 7.253 12.774 -10.039 1.00 0.00 C ATOM 136 C LEU A 9 6.408 12.764 -11.335 1.00 0.00 C ATOM 137 O LEU A 9 6.681 13.518 -12.278 1.00 0.00 O ATOM 138 CB LEU A 9 8.223 11.542 -9.949 1.00 0.00 C ATOM 139 CG LEU A 9 9.743 11.837 -10.155 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.041 12.295 -11.592 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.251 12.865 -9.115 1.00 0.00 C ATOM 0 H LEU A 9 6.368 11.956 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 9 7.876 13.668 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.095 11.077 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.914 10.809 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 9 10.287 10.905 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.108 12.491 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.745 11.514 -12.292 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.482 13.206 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.312 13.054 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.695 13.797 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.104 12.469 -8.110 1.00 0.00 H new ATOM 153 N ILE A 10 5.362 11.917 -11.336 1.00 0.00 N ATOM 154 CA ILE A 10 4.365 11.846 -12.424 1.00 0.00 C ATOM 155 C ILE A 10 3.584 13.179 -12.513 1.00 0.00 C ATOM 156 O ILE A 10 3.203 13.611 -13.605 1.00 0.00 O ATOM 157 CB ILE A 10 3.351 10.654 -12.195 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.106 9.287 -12.115 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.267 10.606 -13.307 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.256 8.103 -11.674 1.00 0.00 C ATOM 0 H ILE A 10 5.182 11.258 -10.578 1.00 0.00 H new ATOM 0 HA ILE A 10 4.899 11.669 -13.358 1.00 0.00 H new ATOM 0 HB ILE A 10 2.850 10.832 -11.244 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.529 9.066 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.942 9.392 -11.423 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.588 9.775 -13.117 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.706 11.540 -13.308 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.746 10.469 -14.276 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.870 7.203 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.854 8.294 -10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.434 7.963 -12.377 1.00 0.00 H new ATOM 172 N GLU A 11 3.356 13.804 -11.334 1.00 0.00 N ATOM 173 CA GLU A 11 2.663 15.101 -11.204 1.00 0.00 C ATOM 174 C GLU A 11 3.467 16.174 -11.920 1.00 0.00 C ATOM 175 O GLU A 11 2.892 16.977 -12.622 1.00 0.00 O ATOM 176 CB GLU A 11 2.432 15.453 -9.695 1.00 0.00 C ATOM 177 CG GLU A 11 1.577 16.721 -9.369 1.00 0.00 C ATOM 178 CD GLU A 11 2.310 18.069 -9.537 1.00 0.00 C ATOM 179 OE1 GLU A 11 3.366 18.253 -8.905 1.00 0.00 O ATOM 180 OE2 GLU A 11 1.841 18.937 -10.313 1.00 0.00 O ATOM 0 H GLU A 11 3.652 13.415 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 11 1.680 15.041 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.956 14.596 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.408 15.576 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.697 16.721 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.221 16.645 -8.342 1.00 0.00 H new ATOM 187 N ARG A 12 4.801 16.149 -11.750 1.00 0.00 N ATOM 188 CA ARG A 12 5.704 17.144 -12.359 1.00 0.00 C ATOM 189 C ARG A 12 5.762 16.991 -13.884 1.00 0.00 C ATOM 190 O ARG A 12 5.913 17.982 -14.590 1.00 0.00 O ATOM 191 CB ARG A 12 7.125 17.046 -11.751 1.00 0.00 C ATOM 192 CG ARG A 12 7.177 17.342 -10.244 1.00 0.00 C ATOM 193 CD ARG A 12 8.607 17.303 -9.676 1.00 0.00 C ATOM 194 NE ARG A 12 8.624 17.472 -8.214 1.00 0.00 N ATOM 195 CZ ARG A 12 9.725 17.671 -7.468 1.00 0.00 C ATOM 196 NH1 ARG A 12 10.932 17.694 -8.023 1.00 0.00 N ATOM 197 NH2 ARG A 12 9.619 17.836 -6.160 1.00 0.00 N ATOM 0 H ARG A 12 5.281 15.444 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 12 5.299 18.131 -12.136 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.518 16.045 -11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.782 17.743 -12.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.743 18.324 -10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.561 16.615 -9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.075 16.354 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.203 18.090 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 12 7.728 17.435 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.033 17.560 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.757 17.846 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.701 17.812 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.455 17.987 -5.596 1.00 0.00 H new ATOM 211 N TYR A 13 5.652 15.739 -14.379 1.00 0.00 N ATOM 212 CA TYR A 13 5.599 15.457 -15.832 1.00 0.00 C ATOM 213 C TYR A 13 4.251 15.910 -16.437 1.00 0.00 C ATOM 214 O TYR A 13 4.226 16.496 -17.517 1.00 0.00 O ATOM 215 CB TYR A 13 5.858 13.953 -16.131 1.00 0.00 C ATOM 216 CG TYR A 13 7.339 13.531 -16.062 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.261 14.012 -17.001 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.814 12.650 -15.088 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.588 13.624 -16.970 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.141 12.269 -15.055 1.00 0.00 C ATOM 221 CZ TYR A 13 10.021 12.757 -15.997 1.00 0.00 C ATOM 222 OH TYR A 13 11.340 12.365 -15.963 1.00 0.00 O ATOM 0 H TYR A 13 5.598 14.906 -13.793 1.00 0.00 H new ATOM 0 HA TYR A 13 6.395 16.032 -16.304 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.289 13.352 -15.422 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.474 13.722 -17.125 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.929 14.700 -17.764 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.131 12.260 -14.348 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.281 14.001 -17.708 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.489 11.589 -14.292 1.00 0.00 H new ATOM 0 HH TYR A 13 11.829 12.797 -16.695 1.00 0.00 H new ATOM 232 N TYR A 14 3.144 15.636 -15.724 1.00 0.00 N ATOM 233 CA TYR A 14 1.775 16.008 -16.164 1.00 0.00 C ATOM 234 C TYR A 14 1.598 17.539 -16.127 1.00 0.00 C ATOM 235 O TYR A 14 0.988 18.136 -17.023 1.00 0.00 O ATOM 236 CB TYR A 14 0.718 15.300 -15.265 1.00 0.00 C ATOM 237 CG TYR A 14 -0.739 15.526 -15.720 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.306 14.747 -16.732 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.535 16.534 -15.160 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.601 14.961 -17.157 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.827 16.751 -15.587 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.356 15.961 -16.587 1.00 0.00 C ATOM 243 OH TYR A 14 -4.644 16.172 -17.025 1.00 0.00 O ATOM 0 H TYR A 14 3.166 15.151 -14.827 1.00 0.00 H new ATOM 0 HA TYR A 14 1.628 15.678 -17.192 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.923 14.230 -15.254 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.828 15.657 -14.241 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.720 13.964 -17.190 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.127 17.155 -14.376 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.022 14.344 -17.937 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.422 17.535 -15.142 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.043 16.912 -16.522 1.00 0.00 H new ATOM 253 N HIS A 15 2.168 18.138 -15.072 1.00 0.00 N ATOM 254 CA HIS A 15 2.197 19.595 -14.848 1.00 0.00 C ATOM 255 C HIS A 15 3.007 20.242 -15.965 1.00 0.00 C ATOM 256 O HIS A 15 2.633 21.285 -16.479 1.00 0.00 O ATOM 257 CB HIS A 15 2.847 19.891 -13.462 1.00 0.00 C ATOM 258 CG HIS A 15 2.873 21.336 -13.000 1.00 0.00 C ATOM 259 ND1 HIS A 15 2.373 21.727 -11.776 1.00 0.00 N ATOM 260 CD2 HIS A 15 3.405 22.462 -13.550 1.00 0.00 C ATOM 261 CE1 HIS A 15 2.583 23.016 -11.608 1.00 0.00 C ATOM 262 NE2 HIS A 15 3.210 23.483 -12.665 1.00 0.00 N ATOM 0 H HIS A 15 2.633 17.613 -14.332 1.00 0.00 H new ATOM 0 HA HIS A 15 1.186 20.002 -14.852 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.318 19.306 -12.710 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.874 19.526 -13.486 1.00 0.00 H new ATOM 0 HD1 HIS A 15 1.912 21.113 -11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.892 22.534 -14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.289 23.594 -10.745 1.00 0.00 H new ATOM 271 N GLN A 16 4.127 19.582 -16.317 1.00 0.00 N ATOM 272 CA GLN A 16 5.040 20.022 -17.376 1.00 0.00 C ATOM 273 C GLN A 16 4.313 20.087 -18.731 1.00 0.00 C ATOM 274 O GLN A 16 4.566 20.983 -19.517 1.00 0.00 O ATOM 275 CB GLN A 16 6.252 19.060 -17.447 1.00 0.00 C ATOM 276 CG GLN A 16 7.316 19.421 -18.487 1.00 0.00 C ATOM 277 CD GLN A 16 8.440 18.391 -18.634 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.560 18.756 -18.947 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.148 17.106 -18.458 1.00 0.00 N ATOM 0 H GLN A 16 4.422 18.717 -15.864 1.00 0.00 H new ATOM 0 HA GLN A 16 5.397 21.025 -17.143 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.725 19.025 -16.465 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.885 18.056 -17.660 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.831 19.550 -19.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.755 20.382 -18.220 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.202 16.829 -18.196 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.870 16.397 -18.585 1.00 0.00 H new ATOM 288 N LEU A 17 3.392 19.143 -18.971 1.00 0.00 N ATOM 289 CA LEU A 17 2.611 19.081 -20.226 1.00 0.00 C ATOM 290 C LEU A 17 1.502 20.156 -20.270 1.00 0.00 C ATOM 291 O LEU A 17 1.296 20.806 -21.303 1.00 0.00 O ATOM 292 CB LEU A 17 1.995 17.666 -20.390 1.00 0.00 C ATOM 293 CG LEU A 17 3.023 16.494 -20.471 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.327 15.132 -20.348 1.00 0.00 C ATOM 295 CD2 LEU A 17 3.885 16.571 -21.758 1.00 0.00 C ATOM 0 H LEU A 17 3.164 18.402 -18.308 1.00 0.00 H new ATOM 0 HA LEU A 17 3.291 19.283 -21.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.324 17.481 -19.551 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.386 17.656 -21.294 1.00 0.00 H new ATOM 0 HG LEU A 17 3.699 16.600 -19.623 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.070 14.337 -20.408 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.809 15.073 -19.391 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.606 15.017 -21.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.587 15.738 -21.776 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.237 16.519 -22.633 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.437 17.511 -21.771 1.00 0.00 H new ATOM 307 N THR A 18 0.785 20.325 -19.150 1.00 0.00 N ATOM 308 CA THR A 18 -0.397 21.206 -19.072 1.00 0.00 C ATOM 309 C THR A 18 0.005 22.687 -18.913 1.00 0.00 C ATOM 310 O THR A 18 -0.359 23.544 -19.730 1.00 0.00 O ATOM 311 CB THR A 18 -1.326 20.766 -17.886 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.563 20.719 -16.666 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.973 19.389 -18.137 1.00 0.00 C ATOM 0 H THR A 18 1.005 19.857 -18.271 1.00 0.00 H new ATOM 0 HA THR A 18 -0.943 21.110 -20.010 1.00 0.00 H new ATOM 0 HB THR A 18 -2.126 21.501 -17.805 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.069 19.874 -16.621 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.607 19.125 -17.291 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.577 19.430 -19.044 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.193 18.637 -18.254 1.00 0.00 H new ATOM 321 N GLU A 19 0.750 22.963 -17.838 1.00 0.00 N ATOM 322 CA GLU A 19 1.132 24.322 -17.418 1.00 0.00 C ATOM 323 C GLU A 19 2.539 24.679 -17.934 1.00 0.00 C ATOM 324 O GLU A 19 2.759 25.771 -18.469 1.00 0.00 O ATOM 325 CB GLU A 19 1.068 24.383 -15.867 1.00 0.00 C ATOM 326 CG GLU A 19 -0.321 24.000 -15.294 1.00 0.00 C ATOM 327 CD GLU A 19 -0.349 23.827 -13.768 1.00 0.00 C ATOM 328 OE1 GLU A 19 -0.456 24.841 -13.047 1.00 0.00 O ATOM 329 OE2 GLU A 19 -0.242 22.680 -13.285 1.00 0.00 O ATOM 0 H GLU A 19 1.113 22.236 -17.221 1.00 0.00 H new ATOM 0 HA GLU A 19 0.444 25.053 -17.843 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.821 23.713 -15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.323 25.391 -15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.041 24.769 -15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.649 23.071 -15.759 1.00 0.00 H new ATOM 336 N GLY A 20 3.477 23.732 -17.787 1.00 0.00 N ATOM 337 CA GLY A 20 4.867 23.923 -18.191 1.00 0.00 C ATOM 338 C GLY A 20 5.749 24.316 -17.024 1.00 0.00 C ATOM 339 O GLY A 20 5.989 23.504 -16.126 1.00 0.00 O ATOM 0 H GLY A 20 3.288 22.814 -17.384 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.245 23.003 -18.637 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.918 24.694 -18.960 1.00 0.00 H new ATOM 343 N CYS A 21 6.225 25.565 -17.049 1.00 0.00 N ATOM 344 CA CYS A 21 7.122 26.120 -16.009 1.00 0.00 C ATOM 345 C CYS A 21 7.086 27.658 -15.984 1.00 0.00 C ATOM 346 O CYS A 21 7.901 28.281 -15.292 1.00 0.00 O ATOM 347 CB CYS A 21 8.562 25.648 -16.275 1.00 0.00 C ATOM 348 SG CYS A 21 9.156 26.108 -17.934 1.00 0.00 S ATOM 0 H CYS A 21 6.003 26.229 -17.791 1.00 0.00 H new ATOM 0 HA CYS A 21 6.776 25.761 -15.040 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.225 26.077 -15.524 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.612 24.565 -16.163 1.00 0.00 H new ATOM 353 N GLY A 22 6.155 28.275 -16.747 1.00 0.00 N ATOM 354 CA GLY A 22 6.079 29.742 -16.847 1.00 0.00 C ATOM 355 C GLY A 22 7.007 30.337 -17.911 1.00 0.00 C ATOM 356 O GLY A 22 6.689 31.381 -18.484 1.00 0.00 O ATOM 0 H GLY A 22 5.453 27.780 -17.297 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.052 30.029 -17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.326 30.176 -15.878 1.00 0.00 H new ATOM 360 N ASN A 23 8.179 29.686 -18.120 1.00 0.00 N ATOM 361 CA ASN A 23 9.258 30.172 -19.008 1.00 0.00 C ATOM 362 C ASN A 23 8.769 30.443 -20.443 1.00 0.00 C ATOM 363 O ASN A 23 8.447 29.500 -21.177 1.00 0.00 O ATOM 364 CB ASN A 23 10.435 29.163 -19.052 1.00 0.00 C ATOM 365 CG ASN A 23 11.148 28.934 -17.716 1.00 0.00 C ATOM 366 OD1 ASN A 23 10.560 29.013 -16.640 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.425 28.622 -17.791 1.00 0.00 N ATOM 0 H ASN A 23 8.401 28.798 -17.670 1.00 0.00 H new ATOM 0 HA ASN A 23 9.597 31.117 -18.584 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.059 28.206 -19.413 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.166 29.514 -19.780 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.956 28.438 -16.940 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.883 28.565 -18.700 1.00 0.00 H new ATOM 374 N GLU A 24 8.744 31.742 -20.808 1.00 0.00 N ATOM 375 CA GLU A 24 8.351 32.243 -22.140 1.00 0.00 C ATOM 376 C GLU A 24 9.094 31.510 -23.281 1.00 0.00 C ATOM 377 O GLU A 24 8.467 30.956 -24.192 1.00 0.00 O ATOM 378 CB GLU A 24 8.655 33.771 -22.198 1.00 0.00 C ATOM 379 CG GLU A 24 8.317 34.468 -23.538 1.00 0.00 C ATOM 380 CD GLU A 24 6.825 34.412 -23.891 1.00 0.00 C ATOM 381 OE1 GLU A 24 6.029 35.121 -23.239 1.00 0.00 O ATOM 382 OE2 GLU A 24 6.432 33.662 -24.812 1.00 0.00 O ATOM 0 H GLU A 24 9.004 32.491 -20.166 1.00 0.00 H new ATOM 0 HA GLU A 24 7.287 32.055 -22.284 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.099 34.265 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.714 33.921 -21.988 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.633 35.510 -23.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.890 34.000 -24.338 1.00 0.00 H new ATOM 389 N ALA A 25 10.433 31.515 -23.200 1.00 0.00 N ATOM 390 CA ALA A 25 11.312 30.919 -24.226 1.00 0.00 C ATOM 391 C ALA A 25 11.923 29.598 -23.714 1.00 0.00 C ATOM 392 O ALA A 25 13.140 29.380 -23.810 1.00 0.00 O ATOM 393 CB ALA A 25 12.393 31.950 -24.616 1.00 0.00 C ATOM 0 H ALA A 25 10.941 31.933 -22.420 1.00 0.00 H new ATOM 0 HA ALA A 25 10.735 30.671 -25.117 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.049 31.521 -25.374 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.915 32.845 -25.014 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.979 32.213 -23.736 1.00 0.00 H new ATOM 399 N CYS A 26 11.063 28.716 -23.165 1.00 0.00 N ATOM 400 CA CYS A 26 11.491 27.396 -22.665 1.00 0.00 C ATOM 401 C CYS A 26 11.908 26.466 -23.829 1.00 0.00 C ATOM 402 O CYS A 26 11.253 26.448 -24.879 1.00 0.00 O ATOM 403 CB CYS A 26 10.389 26.722 -21.827 1.00 0.00 C ATOM 404 SG CYS A 26 10.893 25.087 -21.193 1.00 0.00 S ATOM 0 H CYS A 26 10.065 28.896 -23.057 1.00 0.00 H new ATOM 0 HA CYS A 26 12.355 27.565 -22.023 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.128 27.368 -20.989 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.491 26.611 -22.435 1.00 0.00 H new ATOM 409 N THR A 27 12.988 25.686 -23.617 1.00 0.00 N ATOM 410 CA THR A 27 13.559 24.779 -24.625 1.00 0.00 C ATOM 411 C THR A 27 13.415 23.299 -24.164 1.00 0.00 C ATOM 412 O THR A 27 14.341 22.686 -23.609 1.00 0.00 O ATOM 413 CB THR A 27 15.057 25.164 -24.943 1.00 0.00 C ATOM 414 OG1 THR A 27 15.636 24.223 -25.866 1.00 0.00 O ATOM 415 CG2 THR A 27 15.933 25.276 -23.672 1.00 0.00 C ATOM 0 H THR A 27 13.491 25.671 -22.730 1.00 0.00 H new ATOM 0 HA THR A 27 13.001 24.887 -25.555 1.00 0.00 H new ATOM 0 HB THR A 27 15.034 26.153 -25.400 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.564 24.477 -26.053 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.951 25.543 -23.954 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.525 26.045 -23.016 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.940 24.319 -23.150 1.00 0.00 H new ATOM 423 N ASN A 28 12.191 22.769 -24.334 1.00 0.00 N ATOM 424 CA ASN A 28 11.887 21.335 -24.140 1.00 0.00 C ATOM 425 C ASN A 28 10.549 21.004 -24.817 1.00 0.00 C ATOM 426 O ASN A 28 9.514 21.563 -24.455 1.00 0.00 O ATOM 427 CB ASN A 28 11.845 20.934 -22.633 1.00 0.00 C ATOM 428 CG ASN A 28 11.553 19.437 -22.399 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.870 18.579 -23.225 1.00 0.00 O ATOM 430 ND2 ASN A 28 10.973 19.109 -21.259 1.00 0.00 N ATOM 0 H ASN A 28 11.380 23.323 -24.611 1.00 0.00 H new ATOM 0 HA ASN A 28 12.691 20.758 -24.597 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.800 21.185 -22.172 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.082 21.527 -22.129 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.779 18.130 -21.048 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.719 19.835 -20.589 1.00 0.00 H new ATOM 437 N GLU A 29 10.587 20.061 -25.770 1.00 0.00 N ATOM 438 CA GLU A 29 9.426 19.659 -26.591 1.00 0.00 C ATOM 439 C GLU A 29 8.342 18.934 -25.762 1.00 0.00 C ATOM 440 O GLU A 29 7.209 18.768 -26.224 1.00 0.00 O ATOM 441 CB GLU A 29 9.913 18.753 -27.750 1.00 0.00 C ATOM 442 CG GLU A 29 10.572 17.433 -27.289 1.00 0.00 C ATOM 443 CD GLU A 29 11.006 16.542 -28.458 1.00 0.00 C ATOM 444 OE1 GLU A 29 10.122 15.971 -29.135 1.00 0.00 O ATOM 445 OE2 GLU A 29 12.225 16.419 -28.721 1.00 0.00 O ATOM 0 H GLU A 29 11.437 19.546 -25.999 1.00 0.00 H new ATOM 0 HA GLU A 29 8.965 20.563 -26.989 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.065 18.517 -28.393 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.627 19.310 -28.356 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.441 17.663 -26.672 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.871 16.883 -26.661 1.00 0.00 H new ATOM 452 N PHE A 30 8.720 18.489 -24.547 1.00 0.00 N ATOM 453 CA PHE A 30 7.814 17.805 -23.600 1.00 0.00 C ATOM 454 C PHE A 30 7.291 18.774 -22.516 1.00 0.00 C ATOM 455 O PHE A 30 6.718 18.335 -21.513 1.00 0.00 O ATOM 456 CB PHE A 30 8.568 16.615 -22.943 1.00 0.00 C ATOM 457 CG PHE A 30 9.051 15.564 -23.944 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.159 14.973 -24.844 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.383 15.152 -23.972 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.591 14.019 -25.747 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.810 14.197 -24.873 1.00 0.00 C ATOM 462 CZ PHE A 30 9.913 13.626 -25.757 1.00 0.00 C ATOM 0 H PHE A 30 9.670 18.595 -24.192 1.00 0.00 H new ATOM 0 HA PHE A 30 6.949 17.436 -24.151 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.426 17.000 -22.392 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.911 16.137 -22.217 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.119 15.265 -24.834 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.090 15.586 -23.280 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.893 13.581 -26.445 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.847 13.895 -24.887 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.247 12.873 -26.455 1.00 0.00 H new ATOM 472 N CYS A 31 7.456 20.089 -22.739 1.00 0.00 N ATOM 473 CA CYS A 31 7.087 21.130 -21.757 1.00 0.00 C ATOM 474 C CYS A 31 6.208 22.193 -22.418 1.00 0.00 C ATOM 475 O CYS A 31 6.514 22.634 -23.518 1.00 0.00 O ATOM 476 CB CYS A 31 8.358 21.794 -21.190 1.00 0.00 C ATOM 477 SG CYS A 31 8.060 22.955 -19.813 1.00 0.00 S ATOM 0 H CYS A 31 7.848 20.463 -23.603 1.00 0.00 H new ATOM 0 HA CYS A 31 6.531 20.661 -20.945 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.038 21.014 -20.849 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.863 22.328 -21.995 1.00 0.00 H new ATOM 482 N ALA A 32 5.140 22.612 -21.733 1.00 0.00 N ATOM 483 CA ALA A 32 4.263 23.696 -22.182 1.00 0.00 C ATOM 484 C ALA A 32 4.976 25.034 -21.989 1.00 0.00 C ATOM 485 O ALA A 32 5.962 25.118 -21.228 1.00 0.00 O ATOM 486 CB ALA A 32 2.930 23.655 -21.424 1.00 0.00 C ATOM 0 H ALA A 32 4.858 22.204 -20.842 1.00 0.00 H new ATOM 0 HA ALA A 32 4.039 23.572 -23.241 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.290 24.467 -21.769 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.436 22.701 -21.607 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.115 23.768 -20.356 1.00 0.00 H new ATOM 492 N SER A 33 4.483 26.060 -22.714 1.00 0.00 N ATOM 493 CA SER A 33 5.135 27.380 -22.840 1.00 0.00 C ATOM 494 C SER A 33 6.468 27.267 -23.645 1.00 0.00 C ATOM 495 O SER A 33 7.282 28.200 -23.665 1.00 0.00 O ATOM 496 CB SER A 33 5.333 28.047 -21.445 1.00 0.00 C ATOM 497 OG SER A 33 5.722 29.402 -21.555 1.00 0.00 O ATOM 0 H SER A 33 3.609 25.994 -23.235 1.00 0.00 H new ATOM 0 HA SER A 33 4.476 28.037 -23.407 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.405 27.981 -20.877 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.089 27.497 -20.885 1.00 0.00 H new ATOM 0 HG SER A 33 6.697 29.469 -21.488 1.00 0.00 H new ATOM 503 N CYS A 34 6.679 26.101 -24.306 1.00 0.00 N ATOM 504 CA CYS A 34 7.746 25.911 -25.302 1.00 0.00 C ATOM 505 C CYS A 34 7.137 26.000 -26.719 1.00 0.00 C ATOM 506 O CYS A 34 6.019 25.494 -26.931 1.00 0.00 O ATOM 507 CB CYS A 34 8.416 24.541 -25.107 1.00 0.00 C ATOM 508 SG CYS A 34 9.061 24.286 -23.442 1.00 0.00 S ATOM 0 H CYS A 34 6.109 25.268 -24.158 1.00 0.00 H new ATOM 0 HA CYS A 34 8.500 26.688 -25.177 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.693 23.757 -25.332 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.231 24.439 -25.823 1.00 0.00 H new ATOM 0 HG CYS A 34 9.691 23.150 -23.390 1.00 0.00 H new ATOM 514 N PRO A 35 7.841 26.650 -27.700 1.00 0.00 N ATOM 515 CA PRO A 35 7.389 26.707 -29.121 1.00 0.00 C ATOM 516 C PRO A 35 7.365 25.307 -29.786 1.00 0.00 C ATOM 517 O PRO A 35 6.558 25.048 -30.675 1.00 0.00 O ATOM 518 CB PRO A 35 8.433 27.652 -29.793 1.00 0.00 C ATOM 519 CG PRO A 35 9.647 27.556 -28.913 1.00 0.00 C ATOM 520 CD PRO A 35 9.119 27.399 -27.506 1.00 0.00 C ATOM 0 HA PRO A 35 6.365 27.066 -29.220 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.656 27.337 -30.812 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.063 28.676 -29.849 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.269 26.707 -29.195 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.267 28.448 -29.002 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.816 26.849 -26.874 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.951 28.365 -27.029 1.00 0.00 H new ATOM 528 N THR A 36 8.249 24.411 -29.312 1.00 0.00 N ATOM 529 CA THR A 36 8.423 23.047 -29.861 1.00 0.00 C ATOM 530 C THR A 36 7.431 22.025 -29.262 1.00 0.00 C ATOM 531 O THR A 36 7.435 20.847 -29.659 1.00 0.00 O ATOM 532 CB THR A 36 9.886 22.570 -29.608 1.00 0.00 C ATOM 533 OG1 THR A 36 10.183 22.677 -28.202 1.00 0.00 O ATOM 534 CG2 THR A 36 10.912 23.402 -30.411 1.00 0.00 C ATOM 0 H THR A 36 8.871 24.612 -28.529 1.00 0.00 H new ATOM 0 HA THR A 36 8.216 23.100 -30.930 1.00 0.00 H new ATOM 0 HB THR A 36 9.963 21.535 -29.940 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.101 22.377 -28.038 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.918 23.036 -30.205 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.703 23.308 -31.477 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.840 24.449 -30.118 1.00 0.00 H new ATOM 542 N PHE A 37 6.593 22.476 -28.308 1.00 0.00 N ATOM 543 CA PHE A 37 5.612 21.605 -27.639 1.00 0.00 C ATOM 544 C PHE A 37 4.379 21.381 -28.531 1.00 0.00 C ATOM 545 O PHE A 37 3.745 22.339 -28.983 1.00 0.00 O ATOM 546 CB PHE A 37 5.176 22.210 -26.279 1.00 0.00 C ATOM 547 CG PHE A 37 4.195 21.334 -25.480 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.598 20.098 -24.974 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.877 21.732 -25.263 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.724 19.300 -24.266 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.002 20.933 -24.557 1.00 0.00 C ATOM 552 CZ PHE A 37 2.423 19.712 -24.065 1.00 0.00 C ATOM 0 H PHE A 37 6.578 23.443 -27.984 1.00 0.00 H new ATOM 0 HA PHE A 37 6.091 20.643 -27.458 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.064 22.386 -25.672 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.714 23.181 -26.458 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.611 19.761 -25.139 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.536 22.680 -25.653 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.058 18.353 -23.869 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.987 21.262 -24.389 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.734 19.081 -23.524 1.00 0.00 H new ATOM 562 N LEU A 38 4.053 20.105 -28.769 1.00 0.00 N ATOM 563 CA LEU A 38 2.800 19.701 -29.408 1.00 0.00 C ATOM 564 C LEU A 38 1.719 19.573 -28.318 1.00 0.00 C ATOM 565 O LEU A 38 1.880 18.775 -27.381 1.00 0.00 O ATOM 566 CB LEU A 38 2.999 18.354 -30.157 1.00 0.00 C ATOM 567 CG LEU A 38 1.754 17.792 -30.913 1.00 0.00 C ATOM 568 CD1 LEU A 38 1.312 18.733 -32.056 1.00 0.00 C ATOM 569 CD2 LEU A 38 2.018 16.359 -31.439 1.00 0.00 C ATOM 0 H LEU A 38 4.656 19.321 -28.521 1.00 0.00 H new ATOM 0 HA LEU A 38 2.488 20.446 -30.140 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.808 18.479 -30.876 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.327 17.606 -29.435 1.00 0.00 H new ATOM 0 HG LEU A 38 0.934 17.739 -30.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.443 18.310 -32.560 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.054 19.709 -31.645 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.127 18.845 -32.771 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.133 15.994 -31.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.864 16.374 -32.126 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.243 15.699 -30.601 1.00 0.00 H new ATOM 581 N ARG A 39 0.644 20.383 -28.422 1.00 0.00 N ATOM 582 CA ARG A 39 -0.479 20.351 -27.462 1.00 0.00 C ATOM 583 C ARG A 39 -1.248 19.018 -27.565 1.00 0.00 C ATOM 584 O ARG A 39 -1.241 18.350 -28.609 1.00 0.00 O ATOM 585 CB ARG A 39 -1.432 21.580 -27.648 1.00 0.00 C ATOM 586 CG ARG A 39 -0.967 22.888 -26.952 1.00 0.00 C ATOM 587 CD ARG A 39 0.422 23.376 -27.399 1.00 0.00 C ATOM 588 NE ARG A 39 0.837 24.603 -26.689 1.00 0.00 N ATOM 589 CZ ARG A 39 2.060 25.172 -26.757 1.00 0.00 C ATOM 590 NH1 ARG A 39 3.027 24.643 -27.503 1.00 0.00 N ATOM 591 NH2 ARG A 39 2.312 26.278 -26.077 1.00 0.00 N ATOM 0 H ARG A 39 0.531 21.071 -29.166 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.062 20.421 -26.458 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.544 21.775 -28.715 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.418 21.316 -27.267 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.697 23.672 -27.151 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.955 22.729 -25.874 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.156 22.590 -27.222 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.411 23.565 -28.472 1.00 0.00 H new ATOM 0 HE ARG A 39 0.142 25.059 -26.098 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.851 23.792 -28.037 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.944 25.089 -27.541 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.583 26.700 -25.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.235 26.709 -26.128 1.00 0.00 H new ATOM 605 N MET A 40 -1.922 18.666 -26.469 1.00 0.00 N ATOM 606 CA MET A 40 -2.455 17.315 -26.235 1.00 0.00 C ATOM 607 C MET A 40 -3.856 17.366 -25.609 1.00 0.00 C ATOM 608 O MET A 40 -4.329 18.431 -25.195 1.00 0.00 O ATOM 609 CB MET A 40 -1.464 16.534 -25.312 1.00 0.00 C ATOM 610 CG MET A 40 -0.979 17.317 -24.074 1.00 0.00 C ATOM 611 SD MET A 40 -2.332 17.849 -23.006 1.00 0.00 S ATOM 612 CE MET A 40 -1.507 18.975 -21.897 1.00 0.00 C ATOM 0 H MET A 40 -2.118 19.316 -25.707 1.00 0.00 H new ATOM 0 HA MET A 40 -2.550 16.800 -27.191 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.948 15.616 -24.977 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.596 16.240 -25.902 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.294 16.692 -23.501 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.416 18.191 -24.401 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.249 19.560 -21.354 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.901 18.410 -21.189 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.865 19.645 -22.469 1.00 0.00 H new ATOM 622 N ASP A 41 -4.500 16.194 -25.569 1.00 0.00 N ATOM 623 CA ASP A 41 -5.741 15.958 -24.803 1.00 0.00 C ATOM 624 C ASP A 41 -5.373 15.550 -23.353 1.00 0.00 C ATOM 625 O ASP A 41 -4.211 15.229 -23.095 1.00 0.00 O ATOM 626 CB ASP A 41 -6.570 14.852 -25.527 1.00 0.00 C ATOM 627 CG ASP A 41 -7.856 14.454 -24.783 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.763 15.303 -24.647 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.949 13.311 -24.299 1.00 0.00 O ATOM 0 H ASP A 41 -4.174 15.369 -26.072 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.348 16.862 -24.750 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.832 15.202 -26.525 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.946 13.967 -25.654 1.00 0.00 H new ATOM 634 N ASN A 42 -6.356 15.550 -22.417 1.00 0.00 N ATOM 635 CA ASN A 42 -6.126 15.186 -20.994 1.00 0.00 C ATOM 636 C ASN A 42 -5.699 13.709 -20.849 1.00 0.00 C ATOM 637 O ASN A 42 -4.867 13.380 -19.996 1.00 0.00 O ATOM 638 CB ASN A 42 -7.384 15.481 -20.119 1.00 0.00 C ATOM 639 CG ASN A 42 -8.618 14.610 -20.419 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.849 14.191 -21.550 1.00 0.00 O ATOM 641 ND2 ASN A 42 -9.423 14.343 -19.403 1.00 0.00 N ATOM 0 H ASN A 42 -7.323 15.800 -22.624 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.309 15.810 -20.633 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.115 15.351 -19.071 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.659 16.528 -20.250 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.259 13.777 -19.550 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.208 14.703 -18.473 1.00 0.00 H new ATOM 648 N ASN A 43 -6.266 12.839 -21.709 1.00 0.00 N ATOM 649 CA ASN A 43 -5.914 11.407 -21.752 1.00 0.00 C ATOM 650 C ASN A 43 -4.509 11.233 -22.329 1.00 0.00 C ATOM 651 O ASN A 43 -3.723 10.435 -21.826 1.00 0.00 O ATOM 652 CB ASN A 43 -6.936 10.594 -22.593 1.00 0.00 C ATOM 653 CG ASN A 43 -8.362 10.636 -22.038 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.573 10.814 -20.842 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.352 10.445 -22.900 1.00 0.00 N ATOM 0 H ASN A 43 -6.977 13.108 -22.389 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.940 11.025 -20.732 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.941 10.978 -23.613 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.606 9.556 -22.645 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.319 10.444 -22.574 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.147 10.300 -23.888 1.00 0.00 H new ATOM 662 N ALA A 44 -4.216 12.018 -23.388 1.00 0.00 N ATOM 663 CA ALA A 44 -2.901 12.025 -24.054 1.00 0.00 C ATOM 664 C ALA A 44 -1.799 12.494 -23.092 1.00 0.00 C ATOM 665 O ALA A 44 -0.700 11.960 -23.117 1.00 0.00 O ATOM 666 CB ALA A 44 -2.944 12.906 -25.311 1.00 0.00 C ATOM 0 H ALA A 44 -4.887 12.664 -23.804 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.664 11.005 -24.357 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.966 12.901 -25.792 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.691 12.516 -26.003 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.206 13.926 -25.031 1.00 0.00 H new ATOM 672 N ALA A 45 -2.142 13.472 -22.230 1.00 0.00 N ATOM 673 CA ALA A 45 -1.230 14.041 -21.220 1.00 0.00 C ATOM 674 C ALA A 45 -0.995 13.049 -20.076 1.00 0.00 C ATOM 675 O ALA A 45 0.096 12.993 -19.517 1.00 0.00 O ATOM 676 CB ALA A 45 -1.791 15.365 -20.678 1.00 0.00 C ATOM 0 H ALA A 45 -3.071 13.893 -22.216 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.271 14.239 -21.699 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.107 15.773 -19.934 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.902 16.076 -21.497 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.763 15.187 -20.218 1.00 0.00 H new ATOM 682 N ALA A 46 -2.043 12.282 -19.727 1.00 0.00 N ATOM 683 CA ALA A 46 -1.969 11.241 -18.687 1.00 0.00 C ATOM 684 C ALA A 46 -0.990 10.127 -19.101 1.00 0.00 C ATOM 685 O ALA A 46 -0.077 9.767 -18.337 1.00 0.00 O ATOM 686 CB ALA A 46 -3.375 10.680 -18.415 1.00 0.00 C ATOM 0 H ALA A 46 -2.964 12.366 -20.157 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.589 11.682 -17.765 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.317 9.910 -17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.028 11.484 -18.076 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.778 10.248 -19.331 1.00 0.00 H new ATOM 692 N ILE A 47 -1.186 9.623 -20.340 1.00 0.00 N ATOM 693 CA ILE A 47 -0.318 8.599 -20.949 1.00 0.00 C ATOM 694 C ILE A 47 1.118 9.131 -21.057 1.00 0.00 C ATOM 695 O ILE A 47 2.051 8.492 -20.581 1.00 0.00 O ATOM 696 CB ILE A 47 -0.826 8.183 -22.394 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.281 7.607 -22.342 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.146 7.181 -23.080 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.450 6.345 -21.511 1.00 0.00 C ATOM 0 H ILE A 47 -1.953 9.918 -20.944 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.348 7.718 -20.307 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.845 9.088 -23.001 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.944 8.375 -21.945 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.608 7.398 -23.361 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.237 6.921 -24.067 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.129 7.640 -23.182 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.227 6.279 -22.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.492 6.028 -21.539 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.819 5.555 -21.917 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.160 6.547 -20.480 1.00 0.00 H new ATOM 711 N LYS A 48 1.246 10.343 -21.645 1.00 0.00 N ATOM 712 CA LYS A 48 2.544 10.962 -21.976 1.00 0.00 C ATOM 713 C LYS A 48 3.383 11.163 -20.708 1.00 0.00 C ATOM 714 O LYS A 48 4.571 10.901 -20.720 1.00 0.00 O ATOM 715 CB LYS A 48 2.338 12.330 -22.700 1.00 0.00 C ATOM 716 CG LYS A 48 3.517 12.782 -23.589 1.00 0.00 C ATOM 717 CD LYS A 48 3.576 11.977 -24.907 1.00 0.00 C ATOM 718 CE LYS A 48 4.761 12.361 -25.803 1.00 0.00 C ATOM 719 NZ LYS A 48 6.062 11.928 -25.231 1.00 0.00 N ATOM 0 H LYS A 48 0.445 10.920 -21.903 1.00 0.00 H new ATOM 0 HA LYS A 48 3.076 10.289 -22.649 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.441 12.266 -23.316 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.154 13.098 -21.948 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.417 13.844 -23.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.453 12.658 -23.044 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.637 10.914 -24.673 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.648 12.129 -25.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.631 11.910 -26.787 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.771 13.442 -25.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.765 12.684 -25.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.946 11.728 -24.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.387 11.069 -25.718 1.00 0.00 H new ATOM 733 N ALA A 49 2.724 11.599 -19.614 1.00 0.00 N ATOM 734 CA ALA A 49 3.375 11.820 -18.304 1.00 0.00 C ATOM 735 C ALA A 49 3.976 10.519 -17.759 1.00 0.00 C ATOM 736 O ALA A 49 5.108 10.518 -17.264 1.00 0.00 O ATOM 737 CB ALA A 49 2.377 12.416 -17.301 1.00 0.00 C ATOM 0 H ALA A 49 1.726 11.808 -19.613 1.00 0.00 H new ATOM 0 HA ALA A 49 4.189 12.531 -18.448 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.873 12.572 -16.343 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.008 13.370 -17.678 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.540 11.730 -17.169 1.00 0.00 H new ATOM 743 N LEU A 50 3.208 9.417 -17.882 1.00 0.00 N ATOM 744 CA LEU A 50 3.666 8.069 -17.483 1.00 0.00 C ATOM 745 C LEU A 50 4.815 7.572 -18.387 1.00 0.00 C ATOM 746 O LEU A 50 5.724 6.899 -17.898 1.00 0.00 O ATOM 747 CB LEU A 50 2.483 7.040 -17.475 1.00 0.00 C ATOM 748 CG LEU A 50 1.716 6.866 -16.122 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.661 6.364 -15.005 1.00 0.00 C ATOM 750 CD2 LEU A 50 0.986 8.159 -15.706 1.00 0.00 C ATOM 0 H LEU A 50 2.260 9.435 -18.258 1.00 0.00 H new ATOM 0 HA LEU A 50 4.049 8.148 -16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.765 7.340 -18.238 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.875 6.067 -17.772 1.00 0.00 H new ATOM 0 HG LEU A 50 0.952 6.105 -16.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.100 6.253 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.084 5.401 -15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.466 7.084 -14.858 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.466 7.996 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.711 8.964 -15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.264 8.433 -16.475 1.00 0.00 H new ATOM 762 N GLU A 51 4.768 7.908 -19.694 1.00 0.00 N ATOM 763 CA GLU A 51 5.809 7.500 -20.662 1.00 0.00 C ATOM 764 C GLU A 51 7.129 8.216 -20.361 1.00 0.00 C ATOM 765 O GLU A 51 8.179 7.588 -20.323 1.00 0.00 O ATOM 766 CB GLU A 51 5.364 7.763 -22.124 1.00 0.00 C ATOM 767 CG GLU A 51 4.087 7.007 -22.554 1.00 0.00 C ATOM 768 CD GLU A 51 4.113 5.507 -22.198 1.00 0.00 C ATOM 769 OE1 GLU A 51 4.915 4.755 -22.792 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.335 5.066 -21.320 1.00 0.00 O ATOM 0 H GLU A 51 4.017 8.463 -20.104 1.00 0.00 H new ATOM 0 HA GLU A 51 5.961 6.426 -20.554 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.198 8.833 -22.252 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.178 7.484 -22.793 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.222 7.470 -22.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.955 7.115 -23.631 1.00 0.00 H new ATOM 777 N LEU A 52 7.036 9.529 -20.105 1.00 0.00 N ATOM 778 CA LEU A 52 8.187 10.373 -19.745 1.00 0.00 C ATOM 779 C LEU A 52 8.758 9.967 -18.373 1.00 0.00 C ATOM 780 O LEU A 52 9.944 10.144 -18.113 1.00 0.00 O ATOM 781 CB LEU A 52 7.776 11.870 -19.735 1.00 0.00 C ATOM 782 CG LEU A 52 7.213 12.456 -21.069 1.00 0.00 C ATOM 783 CD1 LEU A 52 6.765 13.926 -20.884 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.222 12.312 -22.229 1.00 0.00 C ATOM 0 H LEU A 52 6.154 10.040 -20.142 1.00 0.00 H new ATOM 0 HA LEU A 52 8.964 10.227 -20.495 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.024 12.010 -18.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.646 12.459 -19.446 1.00 0.00 H new ATOM 0 HG LEU A 52 6.333 11.872 -21.339 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.377 14.310 -21.828 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.985 13.976 -20.124 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.617 14.529 -20.570 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.793 12.731 -23.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.140 12.846 -21.981 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.447 11.257 -22.387 1.00 0.00 H new ATOM 796 N TYR A 53 7.886 9.428 -17.511 1.00 0.00 N ATOM 797 CA TYR A 53 8.259 8.959 -16.168 1.00 0.00 C ATOM 798 C TYR A 53 9.091 7.661 -16.237 1.00 0.00 C ATOM 799 O TYR A 53 10.160 7.570 -15.621 1.00 0.00 O ATOM 800 CB TYR A 53 6.976 8.762 -15.312 1.00 0.00 C ATOM 801 CG TYR A 53 7.211 8.166 -13.915 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.928 8.869 -12.940 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.737 6.893 -13.579 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.147 8.329 -11.688 1.00 0.00 C ATOM 805 CE2 TYR A 53 6.958 6.358 -12.330 1.00 0.00 C ATOM 806 CZ TYR A 53 7.666 7.075 -11.390 1.00 0.00 C ATOM 807 OH TYR A 53 7.899 6.529 -10.145 1.00 0.00 O ATOM 0 H TYR A 53 6.897 9.304 -17.726 1.00 0.00 H new ATOM 0 HA TYR A 53 8.887 9.714 -15.694 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.481 9.726 -15.200 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.290 8.113 -15.857 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.316 9.850 -13.171 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.188 6.320 -14.312 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.694 8.890 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.577 5.377 -12.087 1.00 0.00 H new ATOM 0 HH TYR A 53 7.492 5.639 -10.097 1.00 0.00 H new ATOM 817 N LYS A 54 8.592 6.675 -17.005 1.00 0.00 N ATOM 818 CA LYS A 54 9.196 5.330 -17.081 1.00 0.00 C ATOM 819 C LYS A 54 10.531 5.346 -17.859 1.00 0.00 C ATOM 820 O LYS A 54 11.443 4.586 -17.529 1.00 0.00 O ATOM 821 CB LYS A 54 8.198 4.314 -17.708 1.00 0.00 C ATOM 822 CG LYS A 54 7.789 4.623 -19.169 1.00 0.00 C ATOM 823 CD LYS A 54 6.698 3.671 -19.714 1.00 0.00 C ATOM 824 CE LYS A 54 5.390 3.742 -18.912 1.00 0.00 C ATOM 825 NZ LYS A 54 4.360 2.823 -19.458 1.00 0.00 N ATOM 0 H LYS A 54 7.763 6.786 -17.588 1.00 0.00 H new ATOM 0 HA LYS A 54 9.418 5.010 -16.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.643 3.320 -17.673 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.299 4.282 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.428 5.650 -19.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.670 4.558 -19.807 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.494 3.919 -20.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.074 2.648 -19.697 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.588 3.489 -17.870 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.010 4.764 -18.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.748 2.490 -18.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.785 3.326 -20.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.825 2.008 -19.907 1.00 0.00 H new ATOM 839 N ILE A 55 10.637 6.215 -18.887 1.00 0.00 N ATOM 840 CA ILE A 55 11.888 6.379 -19.669 1.00 0.00 C ATOM 841 C ILE A 55 12.844 7.362 -18.970 1.00 0.00 C ATOM 842 O ILE A 55 14.047 7.360 -19.250 1.00 0.00 O ATOM 843 CB ILE A 55 11.610 6.868 -21.150 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.065 8.336 -21.192 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.649 5.885 -21.878 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.728 8.857 -22.583 1.00 0.00 C ATOM 0 H ILE A 55 9.873 6.815 -19.197 1.00 0.00 H new ATOM 0 HA ILE A 55 12.355 5.395 -19.723 1.00 0.00 H new ATOM 0 HB ILE A 55 12.562 6.872 -21.680 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.170 8.393 -20.572 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.807 8.996 -20.743 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.469 6.237 -22.894 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.100 4.893 -21.912 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.703 5.835 -21.339 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.359 9.880 -22.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.623 8.838 -23.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.961 8.226 -23.032 1.00 0.00 H new ATOM 858 N ASN A 56 12.278 8.179 -18.049 1.00 0.00 N ATOM 859 CA ASN A 56 12.989 9.261 -17.341 1.00 0.00 C ATOM 860 C ASN A 56 13.529 10.282 -18.366 1.00 0.00 C ATOM 861 O ASN A 56 14.731 10.345 -18.641 1.00 0.00 O ATOM 862 CB ASN A 56 14.109 8.714 -16.411 1.00 0.00 C ATOM 863 CG ASN A 56 13.610 7.677 -15.396 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.211 8.019 -14.287 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.629 6.401 -15.773 1.00 0.00 N ATOM 0 H ASN A 56 11.298 8.100 -17.776 1.00 0.00 H new ATOM 0 HA ASN A 56 12.282 9.770 -16.686 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.891 8.265 -17.023 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.563 9.547 -15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.306 5.675 -15.133 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.967 6.149 -16.702 1.00 0.00 H new ATOM 872 N ALA A 57 12.589 11.017 -18.978 1.00 0.00 N ATOM 873 CA ALA A 57 12.873 12.039 -19.998 1.00 0.00 C ATOM 874 C ALA A 57 13.262 13.383 -19.356 1.00 0.00 C ATOM 875 O ALA A 57 13.491 13.461 -18.142 1.00 0.00 O ATOM 876 CB ALA A 57 11.642 12.198 -20.908 1.00 0.00 C ATOM 0 H ALA A 57 11.594 10.917 -18.776 1.00 0.00 H new ATOM 0 HA ALA A 57 13.725 11.715 -20.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.845 12.954 -21.666 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.423 11.247 -21.393 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.785 12.506 -20.310 1.00 0.00 H new ATOM 882 N LYS A 58 13.344 14.433 -20.195 1.00 0.00 N ATOM 883 CA LYS A 58 13.703 15.793 -19.765 1.00 0.00 C ATOM 884 C LYS A 58 12.604 16.367 -18.855 1.00 0.00 C ATOM 885 O LYS A 58 11.563 16.838 -19.337 1.00 0.00 O ATOM 886 CB LYS A 58 13.927 16.698 -21.016 1.00 0.00 C ATOM 887 CG LYS A 58 14.913 16.104 -22.050 1.00 0.00 C ATOM 888 CD LYS A 58 16.361 15.975 -21.525 1.00 0.00 C ATOM 889 CE LYS A 58 17.020 17.338 -21.235 1.00 0.00 C ATOM 890 NZ LYS A 58 18.382 17.177 -20.656 1.00 0.00 N ATOM 0 H LYS A 58 13.161 14.358 -21.196 1.00 0.00 H new ATOM 0 HA LYS A 58 14.630 15.760 -19.193 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.967 16.873 -21.502 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.300 17.668 -20.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.557 15.120 -22.354 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.914 16.732 -22.941 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.359 15.377 -20.614 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.961 15.436 -22.258 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.082 17.916 -22.157 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.395 17.905 -20.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.795 18.114 -20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.319 16.647 -19.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.985 16.658 -21.326 1.00 0.00 H new ATOM 904 N LEU A 59 12.825 16.246 -17.537 1.00 0.00 N ATOM 905 CA LEU A 59 11.917 16.797 -16.524 1.00 0.00 C ATOM 906 C LEU A 59 12.307 18.255 -16.250 1.00 0.00 C ATOM 907 O LEU A 59 13.325 18.526 -15.601 1.00 0.00 O ATOM 908 CB LEU A 59 11.952 15.962 -15.216 1.00 0.00 C ATOM 909 CG LEU A 59 10.999 16.460 -14.072 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.532 16.551 -14.556 1.00 0.00 C ATOM 911 CD2 LEU A 59 11.114 15.566 -12.811 1.00 0.00 C ATOM 0 H LEU A 59 13.635 15.765 -17.146 1.00 0.00 H new ATOM 0 HA LEU A 59 10.895 16.755 -16.902 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.694 14.931 -15.457 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.974 15.955 -14.837 1.00 0.00 H new ATOM 0 HG LEU A 59 11.320 17.465 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.900 16.899 -13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.466 17.251 -15.389 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.195 15.567 -14.882 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.441 15.938 -12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.843 14.541 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.139 15.589 -12.441 1.00 0.00 H new ATOM 923 N CYS A 60 11.494 19.175 -16.769 1.00 0.00 N ATOM 924 CA CYS A 60 11.713 20.620 -16.650 1.00 0.00 C ATOM 925 C CYS A 60 11.183 21.105 -15.286 1.00 0.00 C ATOM 926 O CYS A 60 10.010 21.486 -15.150 1.00 0.00 O ATOM 927 CB CYS A 60 11.031 21.337 -17.831 1.00 0.00 C ATOM 928 SG CYS A 60 11.415 23.098 -17.979 1.00 0.00 S ATOM 0 H CYS A 60 10.652 18.936 -17.292 1.00 0.00 H new ATOM 0 HA CYS A 60 12.777 20.854 -16.692 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.321 20.838 -18.756 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.952 21.223 -17.732 1.00 0.00 H new ATOM 933 N ASP A 61 12.067 21.019 -14.284 1.00 0.00 N ATOM 934 CA ASP A 61 11.753 21.276 -12.862 1.00 0.00 C ATOM 935 C ASP A 61 11.680 22.791 -12.556 1.00 0.00 C ATOM 936 O ASP A 61 12.215 23.613 -13.331 1.00 0.00 O ATOM 937 CB ASP A 61 12.849 20.604 -11.975 1.00 0.00 C ATOM 938 CG ASP A 61 14.259 21.194 -12.209 1.00 0.00 C ATOM 939 OD1 ASP A 61 14.893 20.839 -13.222 1.00 0.00 O ATOM 940 OD2 ASP A 61 14.731 22.014 -11.396 1.00 0.00 O ATOM 0 H ASP A 61 13.043 20.764 -14.436 1.00 0.00 H new ATOM 0 HA ASP A 61 10.773 20.852 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.581 20.721 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.870 19.534 -12.181 1.00 0.00 H new ATOM 945 N PRO A 62 11.011 23.196 -11.419 1.00 0.00 N ATOM 946 CA PRO A 62 11.073 24.584 -10.924 1.00 0.00 C ATOM 947 C PRO A 62 12.459 24.860 -10.292 1.00 0.00 C ATOM 948 O PRO A 62 12.799 24.317 -9.235 1.00 0.00 O ATOM 949 CB PRO A 62 9.924 24.648 -9.880 1.00 0.00 C ATOM 950 CG PRO A 62 9.789 23.238 -9.382 1.00 0.00 C ATOM 951 CD PRO A 62 10.108 22.350 -10.571 1.00 0.00 C ATOM 0 HA PRO A 62 10.954 25.338 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.164 25.334 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.997 25.000 -10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.474 23.047 -8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.782 23.049 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.599 21.428 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.205 22.064 -11.110 1.00 0.00 H new ATOM 959 N HIS A 63 13.257 25.686 -10.970 1.00 0.00 N ATOM 960 CA HIS A 63 14.645 26.015 -10.568 1.00 0.00 C ATOM 961 C HIS A 63 14.742 27.525 -10.237 1.00 0.00 C ATOM 962 O HIS A 63 13.960 28.310 -10.784 1.00 0.00 O ATOM 963 CB HIS A 63 15.619 25.619 -11.717 1.00 0.00 C ATOM 964 CG HIS A 63 15.296 26.262 -13.041 1.00 0.00 C ATOM 965 ND1 HIS A 63 14.354 25.749 -13.905 1.00 0.00 N ATOM 966 CD2 HIS A 63 15.764 27.386 -13.628 1.00 0.00 C ATOM 967 CE1 HIS A 63 14.253 26.533 -14.952 1.00 0.00 C ATOM 968 NE2 HIS A 63 15.095 27.533 -14.810 1.00 0.00 N ATOM 0 H HIS A 63 12.963 26.157 -11.826 1.00 0.00 H new ATOM 0 HA HIS A 63 14.924 25.455 -9.675 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.634 25.892 -11.430 1.00 0.00 H new ATOM 0 HB3 HIS A 63 15.602 24.536 -11.837 1.00 0.00 H new ATOM 0 HD1 HIS A 63 13.819 24.894 -13.754 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.525 28.045 -13.236 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.589 26.382 -15.790 1.00 0.00 H new ATOM 977 N PRO A 64 15.681 27.949 -9.322 1.00 0.00 N ATOM 978 CA PRO A 64 15.835 29.379 -8.918 1.00 0.00 C ATOM 979 C PRO A 64 16.192 30.311 -10.119 1.00 0.00 C ATOM 980 O PRO A 64 15.285 30.986 -10.651 1.00 0.00 O ATOM 981 CB PRO A 64 16.959 29.337 -7.834 1.00 0.00 C ATOM 982 CG PRO A 64 17.688 28.048 -8.084 1.00 0.00 C ATOM 983 CD PRO A 64 16.640 27.080 -8.583 1.00 0.00 C ATOM 984 OXT PRO A 64 17.369 30.359 -10.538 1.00 0.00 O ATOM 0 HA PRO A 64 14.906 29.805 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.628 30.193 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.539 29.365 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 64 18.480 28.182 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.159 27.681 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 64 17.074 26.320 -9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.154 26.557 -7.760 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.879 24.324 -19.234 1.00 0.00 ZN