USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 736 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: B 21 GLN : amide:sc= -0.923 X(o=-1.7,f=-2.1!) USER MOD Set 1.2: B 26 GLN : amide:sc= -0.778 K(o=-1.7,f=-3.3!) USER MOD Set 2.1: B 19 TYR OH : rot 30:sc= -2.8! USER MOD Set 2.2: B 23 HIS : no HD1:sc= -2.8 X(o=-5.6,f=-5.5!) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.934 K(o=-1.7,f=-2.3!) USER MOD Set 3.2: A 26 GLN : amide:sc= -0.769 K(o=-1.7,f=-3.4!) USER MOD Set 4.1: A 19 TYR OH : rot 30:sc= -2.69! USER MOD Set 4.2: A 23 HIS : no HD1:sc= -2.69 X(o=-5.4,f=-5.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.81) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -40:sc= -4.44! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 ASN : amide:sc= -1.24! C(o=-1.2!,f=-0.91!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= -0.405 K(o=-0.41,f=-3.2!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot -37:sc= -4.41! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -12.065 13.714 5.236 1.00 0.00 N ATOM 73 CA CYS A 16 -11.599 12.504 5.977 1.00 0.00 C ATOM 74 C CYS A 16 -10.071 12.397 5.912 1.00 0.00 C ATOM 75 O CYS A 16 -9.455 11.712 6.703 1.00 0.00 O ATOM 76 CB CYS A 16 -12.252 11.325 5.256 1.00 0.00 C ATOM 77 SG CYS A 16 -12.143 9.847 6.296 1.00 0.00 S ATOM 0 HA CYS A 16 -11.868 12.536 7.033 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.295 11.552 5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.756 11.149 4.302 1.00 0.00 H new ATOM 82 N GLU A 17 -9.454 13.068 4.977 1.00 0.00 N ATOM 83 CA GLU A 17 -7.969 13.001 4.867 1.00 0.00 C ATOM 84 C GLU A 17 -7.316 13.573 6.127 1.00 0.00 C ATOM 85 O GLU A 17 -6.264 13.134 6.546 1.00 0.00 O ATOM 86 CB GLU A 17 -7.622 13.856 3.648 1.00 0.00 C ATOM 87 CG GLU A 17 -6.142 13.680 3.303 1.00 0.00 C ATOM 88 CD GLU A 17 -5.732 14.723 2.262 1.00 0.00 C ATOM 89 OE1 GLU A 17 -6.425 15.719 2.144 1.00 0.00 O ATOM 90 OE2 GLU A 17 -4.730 14.507 1.599 1.00 0.00 O ATOM 0 H GLU A 17 -9.914 13.659 4.285 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.610 11.977 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.241 13.565 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.836 14.905 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.533 13.788 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.965 12.676 2.917 1.00 0.00 H new ATOM 97 N LEU A 18 -7.933 14.549 6.736 1.00 0.00 N ATOM 98 CA LEU A 18 -7.345 15.149 7.969 1.00 0.00 C ATOM 99 C LEU A 18 -7.776 14.358 9.210 1.00 0.00 C ATOM 100 O LEU A 18 -7.574 14.787 10.328 1.00 0.00 O ATOM 101 CB LEU A 18 -7.904 16.569 8.021 1.00 0.00 C ATOM 102 CG LEU A 18 -6.750 17.568 8.150 1.00 0.00 C ATOM 103 CD1 LEU A 18 -5.813 17.425 6.951 1.00 0.00 C ATOM 104 CD2 LEU A 18 -7.312 18.992 8.190 1.00 0.00 C ATOM 0 H LEU A 18 -8.818 14.957 6.434 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.255 15.136 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.480 16.777 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.585 16.672 8.866 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.197 17.367 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.992 18.136 7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.413 16.411 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.364 17.625 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.492 19.704 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.864 19.191 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.980 19.096 9.045 1.00 0.00 H new ATOM 116 N TYR A 19 -8.370 13.208 9.027 1.00 0.00 N ATOM 117 CA TYR A 19 -8.812 12.400 10.200 1.00 0.00 C ATOM 118 C TYR A 19 -7.697 11.443 10.641 1.00 0.00 C ATOM 119 O TYR A 19 -7.937 10.483 11.347 1.00 0.00 O ATOM 120 CB TYR A 19 -10.020 11.613 9.699 1.00 0.00 C ATOM 121 CG TYR A 19 -10.721 10.963 10.867 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.584 11.728 11.683 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.513 9.595 11.144 1.00 0.00 C ATOM 124 CE1 TYR A 19 -12.242 11.122 12.778 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.170 8.988 12.240 1.00 0.00 C ATOM 126 CZ TYR A 19 -12.033 9.753 13.057 1.00 0.00 C ATOM 127 OH TYR A 19 -12.673 9.162 14.125 1.00 0.00 O ATOM 0 H TYR A 19 -8.568 12.794 8.116 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.053 13.022 11.062 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.707 12.277 9.173 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.701 10.854 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.741 12.775 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.853 9.012 10.520 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.904 11.705 13.401 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.012 7.941 12.452 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.531 9.609 14.281 1.00 0.00 H new ATOM 137 N VAL A 20 -6.487 11.692 10.227 1.00 0.00 N ATOM 138 CA VAL A 20 -5.363 10.792 10.617 1.00 0.00 C ATOM 139 C VAL A 20 -5.236 10.716 12.144 1.00 0.00 C ATOM 140 O VAL A 20 -5.738 9.806 12.772 1.00 0.00 O ATOM 141 CB VAL A 20 -4.116 11.426 9.994 1.00 0.00 C ATOM 142 CG1 VAL A 20 -2.868 10.672 10.458 1.00 0.00 C ATOM 143 CG2 VAL A 20 -4.215 11.346 8.469 1.00 0.00 C ATOM 0 H VAL A 20 -6.226 12.480 9.635 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.515 9.769 10.271 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.047 12.468 10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.982 11.126 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.795 10.723 11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.936 9.629 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.329 11.797 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.284 10.302 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.103 11.882 8.133 1.00 0.00 H new ATOM 153 N GLN A 21 -4.559 11.657 12.748 1.00 0.00 N ATOM 154 CA GLN A 21 -4.396 11.627 14.231 1.00 0.00 C ATOM 155 C GLN A 21 -5.714 11.972 14.924 1.00 0.00 C ATOM 156 O GLN A 21 -5.882 11.720 16.100 1.00 0.00 O ATOM 157 CB GLN A 21 -3.334 12.684 14.538 1.00 0.00 C ATOM 158 CG GLN A 21 -1.955 12.022 14.613 1.00 0.00 C ATOM 159 CD GLN A 21 -0.870 13.095 14.523 1.00 0.00 C ATOM 160 OE1 GLN A 21 -1.110 14.180 14.033 1.00 0.00 O ATOM 161 NE2 GLN A 21 0.324 12.838 14.985 1.00 0.00 N ATOM 0 H GLN A 21 -4.112 12.445 12.279 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.104 10.640 14.589 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.338 13.453 13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.562 13.180 15.482 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.856 11.467 15.546 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.840 11.304 13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.526 11.927 15.397 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.054 13.548 14.934 1.00 0.00 H new ATOM 170 N LYS A 22 -6.657 12.535 14.211 1.00 0.00 N ATOM 171 CA LYS A 22 -7.968 12.874 14.851 1.00 0.00 C ATOM 172 C LYS A 22 -8.496 11.648 15.600 1.00 0.00 C ATOM 173 O LYS A 22 -9.215 11.755 16.574 1.00 0.00 O ATOM 174 CB LYS A 22 -8.895 13.243 13.694 1.00 0.00 C ATOM 175 CG LYS A 22 -8.682 14.709 13.316 1.00 0.00 C ATOM 176 CD LYS A 22 -10.031 15.353 12.988 1.00 0.00 C ATOM 177 CE LYS A 22 -9.810 16.792 12.513 1.00 0.00 C ATOM 178 NZ LYS A 22 -10.720 16.955 11.344 1.00 0.00 N ATOM 0 H LYS A 22 -6.579 12.773 13.222 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.889 13.688 15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.695 12.602 12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.934 13.077 13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.203 15.242 14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.014 14.781 12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.542 14.778 12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.673 15.344 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.046 17.508 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.771 16.959 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.626 17.918 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.467 16.265 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.703 16.796 11.644 1.00 0.00 H new ATOM 192 N HIS A 23 -8.112 10.483 15.155 1.00 0.00 N ATOM 193 CA HIS A 23 -8.550 9.233 15.832 1.00 0.00 C ATOM 194 C HIS A 23 -7.312 8.462 16.301 1.00 0.00 C ATOM 195 O HIS A 23 -6.981 8.453 17.468 1.00 0.00 O ATOM 196 CB HIS A 23 -9.315 8.447 14.765 1.00 0.00 C ATOM 197 CG HIS A 23 -9.687 7.093 15.305 1.00 0.00 C ATOM 198 ND1 HIS A 23 -10.904 6.851 15.920 1.00 0.00 N ATOM 199 CD2 HIS A 23 -9.012 5.898 15.329 1.00 0.00 C ATOM 200 CE1 HIS A 23 -10.924 5.556 16.285 1.00 0.00 C ATOM 201 NE2 HIS A 23 -9.794 4.929 15.948 1.00 0.00 N ATOM 0 H HIS A 23 -7.509 10.344 14.344 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.173 9.416 16.707 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.212 8.992 14.471 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.702 8.337 13.871 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.023 5.735 14.928 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.753 5.081 16.789 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.556 3.950 16.110 1.00 0.00 H new ATOM 209 N ASN A 24 -6.616 7.828 15.389 1.00 0.00 N ATOM 210 CA ASN A 24 -5.387 7.066 15.768 1.00 0.00 C ATOM 211 C ASN A 24 -4.739 6.457 14.518 1.00 0.00 C ATOM 212 O ASN A 24 -4.361 5.302 14.505 1.00 0.00 O ATOM 213 CB ASN A 24 -5.872 5.963 16.709 1.00 0.00 C ATOM 214 CG ASN A 24 -4.687 5.098 17.144 1.00 0.00 C ATOM 215 OD1 ASN A 24 -4.781 3.887 17.174 1.00 0.00 O ATOM 216 ND2 ASN A 24 -3.565 5.672 17.487 1.00 0.00 N ATOM 0 H ASN A 24 -6.847 7.806 14.396 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.638 7.702 16.241 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.354 6.403 17.582 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.620 5.348 16.209 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.770 5.104 17.779 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.484 6.688 17.463 1.00 0.00 H new ATOM 223 N ILE A 25 -4.610 7.222 13.469 1.00 0.00 N ATOM 224 CA ILE A 25 -3.988 6.682 12.225 1.00 0.00 C ATOM 225 C ILE A 25 -2.461 6.826 12.271 1.00 0.00 C ATOM 226 O ILE A 25 -1.767 6.441 11.350 1.00 0.00 O ATOM 227 CB ILE A 25 -4.569 7.528 11.089 1.00 0.00 C ATOM 228 CG1 ILE A 25 -6.098 7.464 11.140 1.00 0.00 C ATOM 229 CG2 ILE A 25 -4.082 6.984 9.746 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.557 6.017 10.956 1.00 0.00 C ATOM 0 H ILE A 25 -4.908 8.196 13.418 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.197 5.620 12.097 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.242 8.562 11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.457 7.852 12.094 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.525 8.094 10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.496 7.587 8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.993 7.026 9.709 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.409 5.950 9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.646 5.973 10.993 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.211 5.645 9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.142 5.400 11.753 1.00 0.00 H new ATOM 242 N GLN A 26 -1.927 7.377 13.330 1.00 0.00 N ATOM 243 CA GLN A 26 -0.449 7.539 13.418 1.00 0.00 C ATOM 244 C GLN A 26 0.232 6.173 13.580 1.00 0.00 C ATOM 245 O GLN A 26 1.427 6.043 13.401 1.00 0.00 O ATOM 246 CB GLN A 26 -0.220 8.397 14.662 1.00 0.00 C ATOM 247 CG GLN A 26 1.156 9.060 14.582 1.00 0.00 C ATOM 248 CD GLN A 26 1.457 9.774 15.901 1.00 0.00 C ATOM 249 OE1 GLN A 26 0.739 9.616 16.868 1.00 0.00 O ATOM 250 NE2 GLN A 26 2.497 10.557 15.983 1.00 0.00 N ATOM 0 H GLN A 26 -2.451 7.720 14.135 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.033 7.996 12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.997 9.157 14.740 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.286 7.781 15.559 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.921 8.311 14.379 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.181 9.772 13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.100 10.690 15.171 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.707 11.036 16.859 1.00 0.00 H new ATOM 259 N ALA A 27 -0.516 5.158 13.918 1.00 0.00 N ATOM 260 CA ALA A 27 0.096 3.807 14.095 1.00 0.00 C ATOM 261 C ALA A 27 0.883 3.409 12.842 1.00 0.00 C ATOM 262 O ALA A 27 2.095 3.317 12.861 1.00 0.00 O ATOM 263 CB ALA A 27 -1.089 2.863 14.312 1.00 0.00 C ATOM 0 H ALA A 27 -1.522 5.204 14.079 1.00 0.00 H new ATOM 0 HA ALA A 27 0.799 3.778 14.928 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.723 1.846 14.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.644 3.173 15.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.745 2.897 13.442 1.00 0.00 H new ATOM 269 N LEU A 28 0.205 3.167 11.753 1.00 0.00 N ATOM 270 CA LEU A 28 0.913 2.770 10.502 1.00 0.00 C ATOM 271 C LEU A 28 1.844 3.893 10.033 1.00 0.00 C ATOM 272 O LEU A 28 2.996 3.666 9.722 1.00 0.00 O ATOM 273 CB LEU A 28 -0.213 2.522 9.483 1.00 0.00 C ATOM 274 CG LEU A 28 0.352 2.135 8.101 1.00 0.00 C ATOM 275 CD1 LEU A 28 0.830 3.390 7.367 1.00 0.00 C ATOM 276 CD2 LEU A 28 1.521 1.149 8.247 1.00 0.00 C ATOM 0 H LEU A 28 -0.810 3.227 11.675 1.00 0.00 H new ATOM 0 HA LEU A 28 1.542 1.890 10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.866 1.728 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.825 3.419 9.389 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.440 1.654 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.228 3.111 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.007 4.075 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.610 3.878 7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.904 0.890 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.315 1.610 8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.175 0.246 8.750 1.00 0.00 H new ATOM 288 N LEU A 29 1.353 5.099 9.969 1.00 0.00 N ATOM 289 CA LEU A 29 2.207 6.235 9.506 1.00 0.00 C ATOM 290 C LEU A 29 3.495 6.333 10.330 1.00 0.00 C ATOM 291 O LEU A 29 4.542 6.677 9.818 1.00 0.00 O ATOM 292 CB LEU A 29 1.348 7.483 9.713 1.00 0.00 C ATOM 293 CG LEU A 29 0.754 7.929 8.374 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.885 8.305 7.414 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.067 6.787 7.771 1.00 0.00 C ATOM 0 H LEU A 29 0.396 5.350 10.217 1.00 0.00 H new ATOM 0 HA LEU A 29 2.516 6.108 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.549 7.272 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.951 8.285 10.139 1.00 0.00 H new ATOM 0 HG LEU A 29 0.110 8.793 8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.463 8.623 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.469 9.120 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.530 7.441 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.489 7.106 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.576 5.921 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.874 6.519 8.453 1.00 0.00 H new ATOM 307 N LYS A 30 3.431 6.044 11.601 1.00 0.00 N ATOM 308 CA LYS A 30 4.658 6.137 12.449 1.00 0.00 C ATOM 309 C LYS A 30 5.820 5.367 11.803 1.00 0.00 C ATOM 310 O LYS A 30 6.640 5.934 11.105 1.00 0.00 O ATOM 311 CB LYS A 30 4.264 5.516 13.791 1.00 0.00 C ATOM 312 CG LYS A 30 5.491 5.436 14.703 1.00 0.00 C ATOM 313 CD LYS A 30 5.046 5.494 16.166 1.00 0.00 C ATOM 314 CE LYS A 30 5.273 6.905 16.714 1.00 0.00 C ATOM 315 NZ LYS A 30 6.345 6.751 17.736 1.00 0.00 N ATOM 0 H LYS A 30 2.586 5.748 12.090 1.00 0.00 H new ATOM 0 HA LYS A 30 5.000 7.165 12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.485 6.114 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.850 4.520 13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.037 4.512 14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.172 6.259 14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.993 5.226 16.247 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.606 4.769 16.756 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.576 7.592 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.362 7.309 17.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.558 7.677 18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.025 6.097 18.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.202 6.371 17.286 1.00 0.00 H new ATOM 329 N ASP A 31 5.903 4.084 12.031 1.00 0.00 N ATOM 330 CA ASP A 31 7.016 3.292 11.431 1.00 0.00 C ATOM 331 C ASP A 31 7.028 3.448 9.907 1.00 0.00 C ATOM 332 O ASP A 31 8.061 3.348 9.275 1.00 0.00 O ATOM 333 CB ASP A 31 6.720 1.842 11.820 1.00 0.00 C ATOM 334 CG ASP A 31 7.212 1.587 13.246 1.00 0.00 C ATOM 335 OD1 ASP A 31 6.814 2.328 14.131 1.00 0.00 O ATOM 336 OD2 ASP A 31 7.977 0.654 13.430 1.00 0.00 O ATOM 0 H ASP A 31 5.250 3.551 12.605 1.00 0.00 H new ATOM 0 HA ASP A 31 7.992 3.622 11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.650 1.647 11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.212 1.160 11.126 1.00 0.00 H new ATOM 341 N SER A 32 5.893 3.685 9.311 1.00 0.00 N ATOM 342 CA SER A 32 5.849 3.842 7.828 1.00 0.00 C ATOM 343 C SER A 32 6.743 5.005 7.388 1.00 0.00 C ATOM 344 O SER A 32 7.568 4.865 6.507 1.00 0.00 O ATOM 345 CB SER A 32 4.387 4.141 7.499 1.00 0.00 C ATOM 346 OG SER A 32 4.287 4.563 6.146 1.00 0.00 O ATOM 0 H SER A 32 4.994 3.777 9.785 1.00 0.00 H new ATOM 0 HA SER A 32 6.209 2.951 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.777 3.252 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.004 4.916 8.163 1.00 0.00 H new ATOM 0 HG SER A 32 3.350 4.754 5.931 1.00 0.00 H new ATOM 352 N ILE A 33 6.581 6.151 7.988 1.00 0.00 N ATOM 353 CA ILE A 33 7.421 7.321 7.598 1.00 0.00 C ATOM 354 C ILE A 33 8.904 7.002 7.802 1.00 0.00 C ATOM 355 O ILE A 33 9.757 7.482 7.081 1.00 0.00 O ATOM 356 CB ILE A 33 6.985 8.453 8.529 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.522 8.807 8.255 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.859 9.685 8.284 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.922 9.488 9.487 1.00 0.00 C ATOM 0 H ILE A 33 5.905 6.329 8.731 1.00 0.00 H new ATOM 0 HA ILE A 33 7.295 7.585 6.548 1.00 0.00 H new ATOM 0 HB ILE A 33 7.094 8.130 9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.452 9.468 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.958 7.906 8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.547 10.491 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.902 9.436 8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.752 10.007 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.880 9.740 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.978 8.812 10.340 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.480 10.398 9.708 1.00 0.00 H new ATOM 371 N VAL A 34 9.219 6.204 8.782 1.00 0.00 N ATOM 372 CA VAL A 34 10.649 5.863 9.036 1.00 0.00 C ATOM 373 C VAL A 34 11.155 4.846 8.006 1.00 0.00 C ATOM 374 O VAL A 34 12.323 4.813 7.677 1.00 0.00 O ATOM 375 CB VAL A 34 10.667 5.259 10.439 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.101 4.874 10.813 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.139 6.289 11.442 1.00 0.00 C ATOM 0 H VAL A 34 8.550 5.772 9.419 1.00 0.00 H new ATOM 0 HA VAL A 34 11.297 6.736 8.956 1.00 0.00 H new ATOM 0 HB VAL A 34 10.036 4.371 10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.113 4.443 11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.479 4.143 10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.733 5.762 10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.151 5.860 12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.772 7.176 11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.118 6.564 11.177 1.00 0.00 H new ATOM 387 N GLN A 35 10.287 4.015 7.498 1.00 0.00 N ATOM 388 CA GLN A 35 10.727 3.000 6.494 1.00 0.00 C ATOM 389 C GLN A 35 10.609 3.565 5.076 1.00 0.00 C ATOM 390 O GLN A 35 11.468 3.358 4.243 1.00 0.00 O ATOM 391 CB GLN A 35 9.775 1.819 6.680 1.00 0.00 C ATOM 392 CG GLN A 35 10.457 0.740 7.525 1.00 0.00 C ATOM 393 CD GLN A 35 11.212 -0.225 6.608 1.00 0.00 C ATOM 394 OE1 GLN A 35 10.760 -0.527 5.522 1.00 0.00 O ATOM 395 NE2 GLN A 35 12.350 -0.725 7.004 1.00 0.00 N ATOM 0 H GLN A 35 9.295 3.993 7.733 1.00 0.00 H new ATOM 0 HA GLN A 35 11.769 2.711 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.858 2.151 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.491 1.411 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.146 1.199 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.714 0.197 8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.729 -0.471 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.861 -1.370 6.401 1.00 0.00 H new ATOM 404 N LEU A 36 9.549 4.268 4.793 1.00 0.00 N ATOM 405 CA LEU A 36 9.375 4.836 3.425 1.00 0.00 C ATOM 406 C LEU A 36 10.312 6.030 3.212 1.00 0.00 C ATOM 407 O LEU A 36 10.540 6.458 2.097 1.00 0.00 O ATOM 408 CB LEU A 36 7.914 5.284 3.365 1.00 0.00 C ATOM 409 CG LEU A 36 7.063 4.171 2.748 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.538 3.896 1.320 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.204 2.895 3.586 1.00 0.00 C ATOM 0 H LEU A 36 8.795 4.475 5.448 1.00 0.00 H new ATOM 0 HA LEU A 36 9.614 4.110 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.553 5.519 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.826 6.195 2.772 1.00 0.00 H new ATOM 0 HG LEU A 36 6.018 4.482 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.932 3.103 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.438 4.802 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.583 3.586 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.598 2.102 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.249 2.585 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.865 3.089 4.604 1.00 0.00 H new ATOM 423 N CYS A 37 10.861 6.573 4.268 1.00 0.00 N ATOM 424 CA CYS A 37 11.784 7.738 4.109 1.00 0.00 C ATOM 425 C CYS A 37 12.868 7.415 3.075 1.00 0.00 C ATOM 426 O CYS A 37 13.436 8.295 2.460 1.00 0.00 O ATOM 427 CB CYS A 37 12.404 7.951 5.491 1.00 0.00 C ATOM 428 SG CYS A 37 12.449 9.723 5.864 1.00 0.00 S ATOM 0 H CYS A 37 10.712 6.263 5.228 1.00 0.00 H new ATOM 0 HA CYS A 37 11.265 8.630 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.823 7.424 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.412 7.537 5.517 1.00 0.00 H new ATOM 433 N THR A 38 13.151 6.155 2.875 1.00 0.00 N ATOM 434 CA THR A 38 14.188 5.771 1.876 1.00 0.00 C ATOM 435 C THR A 38 13.598 5.831 0.465 1.00 0.00 C ATOM 436 O THR A 38 14.303 5.997 -0.511 1.00 0.00 O ATOM 437 CB THR A 38 14.577 4.338 2.240 1.00 0.00 C ATOM 438 OG1 THR A 38 15.085 4.309 3.566 1.00 0.00 O ATOM 439 CG2 THR A 38 15.649 3.834 1.271 1.00 0.00 C ATOM 0 H THR A 38 12.708 5.375 3.361 1.00 0.00 H new ATOM 0 HA THR A 38 15.050 6.438 1.890 1.00 0.00 H new ATOM 0 HB THR A 38 13.699 3.696 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.333 3.391 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.925 2.812 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.259 3.855 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.528 4.475 1.336 1.00 0.00 H new ATOM 447 N ALA A 39 12.302 5.705 0.354 1.00 0.00 N ATOM 448 CA ALA A 39 11.649 5.762 -0.986 1.00 0.00 C ATOM 449 C ALA A 39 12.262 4.730 -1.937 1.00 0.00 C ATOM 450 O ALA A 39 12.245 4.899 -3.140 1.00 0.00 O ATOM 451 CB ALA A 39 11.913 7.178 -1.496 1.00 0.00 C ATOM 0 H ALA A 39 11.665 5.564 1.138 1.00 0.00 H new ATOM 0 HA ALA A 39 10.584 5.536 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.462 7.300 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.477 7.900 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.988 7.345 -1.566 1.00 0.00 H new ATOM 457 N ARG A 40 12.796 3.663 -1.413 1.00 0.00 N ATOM 458 CA ARG A 40 13.396 2.627 -2.303 1.00 0.00 C ATOM 459 C ARG A 40 12.791 1.242 -2.020 1.00 0.00 C ATOM 460 O ARG A 40 13.515 0.278 -1.882 1.00 0.00 O ATOM 461 CB ARG A 40 14.887 2.639 -1.965 1.00 0.00 C ATOM 462 CG ARG A 40 15.585 3.737 -2.770 1.00 0.00 C ATOM 463 CD ARG A 40 17.021 3.905 -2.268 1.00 0.00 C ATOM 464 NE ARG A 40 17.662 2.579 -2.491 1.00 0.00 N ATOM 465 CZ ARG A 40 18.645 2.465 -3.341 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.455 2.755 -4.600 1.00 0.00 N ATOM 467 NH2 ARG A 40 19.817 2.061 -2.935 1.00 0.00 N ATOM 0 H ARG A 40 12.844 3.463 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 40 13.207 2.836 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.027 2.811 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.330 1.669 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.587 3.480 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.042 4.677 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.541 4.692 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.041 4.181 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 40 17.332 1.760 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.539 3.070 -4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.223 2.666 -5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.966 1.834 -1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.585 1.972 -3.601 1.00 0.00 H new ATOM 481 N PRO A 41 11.480 1.179 -1.951 1.00 0.00 N ATOM 482 CA PRO A 41 10.803 -0.116 -1.691 1.00 0.00 C ATOM 483 C PRO A 41 10.788 -0.975 -2.959 1.00 0.00 C ATOM 484 O PRO A 41 10.296 -0.563 -3.990 1.00 0.00 O ATOM 485 CB PRO A 41 9.383 0.292 -1.310 1.00 0.00 C ATOM 486 CG PRO A 41 9.169 1.622 -1.961 1.00 0.00 C ATOM 487 CD PRO A 41 10.518 2.282 -2.100 1.00 0.00 C ATOM 0 HA PRO A 41 11.298 -0.708 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.655 -0.440 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.270 0.360 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.700 1.500 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.500 2.239 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.623 2.773 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.668 3.046 -1.337 1.00 0.00 H new ATOM 495 N GLU A 42 11.310 -2.170 -2.891 1.00 0.00 N ATOM 496 CA GLU A 42 11.308 -3.048 -4.098 1.00 0.00 C ATOM 497 C GLU A 42 9.871 -3.256 -4.584 1.00 0.00 C ATOM 498 O GLU A 42 9.562 -3.070 -5.745 1.00 0.00 O ATOM 499 CB GLU A 42 11.916 -4.370 -3.629 1.00 0.00 C ATOM 500 CG GLU A 42 12.069 -5.314 -4.824 1.00 0.00 C ATOM 501 CD GLU A 42 13.376 -6.097 -4.693 1.00 0.00 C ATOM 502 OE1 GLU A 42 13.543 -6.767 -3.688 1.00 0.00 O ATOM 503 OE2 GLU A 42 14.189 -6.014 -5.600 1.00 0.00 O ATOM 0 H GLU A 42 11.736 -2.575 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 42 11.869 -2.619 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.887 -4.192 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.280 -4.826 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.224 -6.001 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.066 -4.744 -5.753 1.00 0.00 H new ATOM 510 N ARG A 43 8.991 -3.633 -3.698 1.00 0.00 N ATOM 511 CA ARG A 43 7.569 -3.846 -4.092 1.00 0.00 C ATOM 512 C ARG A 43 6.646 -3.293 -2.998 1.00 0.00 C ATOM 513 O ARG A 43 6.345 -3.980 -2.044 1.00 0.00 O ATOM 514 CB ARG A 43 7.411 -5.364 -4.213 1.00 0.00 C ATOM 515 CG ARG A 43 6.255 -5.683 -5.161 1.00 0.00 C ATOM 516 CD ARG A 43 6.253 -7.181 -5.479 1.00 0.00 C ATOM 517 NE ARG A 43 5.769 -7.275 -6.885 1.00 0.00 N ATOM 518 CZ ARG A 43 5.644 -8.442 -7.456 1.00 0.00 C ATOM 519 NH1 ARG A 43 4.848 -9.339 -6.940 1.00 0.00 N ATOM 520 NH2 ARG A 43 6.315 -8.714 -8.541 1.00 0.00 N ATOM 0 H ARG A 43 9.196 -3.804 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 43 7.311 -3.340 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.334 -5.808 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.222 -5.800 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.307 -5.396 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.355 -5.106 -6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.251 -7.608 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.600 -7.728 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 43 5.535 -6.427 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.324 -9.128 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.750 -10.251 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.938 -8.014 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.217 -9.626 -8.986 1.00 0.00 H new ATOM 534 N PRO A 44 6.233 -2.060 -3.169 1.00 0.00 N ATOM 535 CA PRO A 44 5.349 -1.412 -2.166 1.00 0.00 C ATOM 536 C PRO A 44 3.951 -2.035 -2.189 1.00 0.00 C ATOM 537 O PRO A 44 3.238 -2.021 -1.202 1.00 0.00 O ATOM 538 CB PRO A 44 5.306 0.046 -2.615 1.00 0.00 C ATOM 539 CG PRO A 44 5.620 0.010 -4.075 1.00 0.00 C ATOM 540 CD PRO A 44 6.538 -1.164 -4.293 1.00 0.00 C ATOM 0 HA PRO A 44 5.709 -1.529 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.326 0.486 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.032 0.649 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.709 -0.097 -4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.097 0.938 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.350 -1.647 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.585 -0.860 -4.290 1.00 0.00 H new ATOM 548 N MET A 45 3.551 -2.584 -3.304 1.00 0.00 N ATOM 549 CA MET A 45 2.198 -3.205 -3.391 1.00 0.00 C ATOM 550 C MET A 45 1.970 -4.167 -2.220 1.00 0.00 C ATOM 551 O MET A 45 1.047 -4.007 -1.445 1.00 0.00 O ATOM 552 CB MET A 45 2.197 -3.967 -4.717 1.00 0.00 C ATOM 553 CG MET A 45 1.646 -3.064 -5.824 1.00 0.00 C ATOM 554 SD MET A 45 -0.149 -3.263 -5.927 1.00 0.00 S ATOM 555 CE MET A 45 -0.242 -3.581 -7.707 1.00 0.00 C ATOM 0 H MET A 45 4.104 -2.629 -4.160 1.00 0.00 H new ATOM 0 HA MET A 45 1.403 -2.461 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.209 -4.288 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.589 -4.867 -4.631 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.896 -2.023 -5.617 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.106 -3.319 -6.779 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.282 -3.736 -7.995 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.162 -2.727 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.338 -4.472 -7.948 1.00 0.00 H new ATOM 565 N ALA A 46 2.797 -5.165 -2.084 1.00 0.00 N ATOM 566 CA ALA A 46 2.613 -6.130 -0.962 1.00 0.00 C ATOM 567 C ALA A 46 3.392 -5.675 0.277 1.00 0.00 C ATOM 568 O ALA A 46 3.155 -6.145 1.373 1.00 0.00 O ATOM 569 CB ALA A 46 3.166 -7.456 -1.485 1.00 0.00 C ATOM 0 H ALA A 46 3.589 -5.355 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 46 1.568 -6.211 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.067 -8.221 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.608 -7.759 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.218 -7.335 -1.743 1.00 0.00 H new ATOM 575 N PHE A 47 4.315 -4.763 0.119 1.00 0.00 N ATOM 576 CA PHE A 47 5.099 -4.283 1.299 1.00 0.00 C ATOM 577 C PHE A 47 4.151 -3.900 2.438 1.00 0.00 C ATOM 578 O PHE A 47 4.308 -4.334 3.562 1.00 0.00 O ATOM 579 CB PHE A 47 5.853 -3.051 0.799 1.00 0.00 C ATOM 580 CG PHE A 47 6.624 -2.430 1.938 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.820 -3.030 2.392 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.151 -1.246 2.547 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.543 -2.446 3.458 1.00 0.00 C ATOM 584 CE2 PHE A 47 6.874 -0.661 3.611 1.00 0.00 C ATOM 585 CZ PHE A 47 8.069 -1.260 4.066 1.00 0.00 C ATOM 0 H PHE A 47 4.560 -4.330 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 47 5.774 -5.047 1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.534 -3.331 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.152 -2.327 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.182 -3.934 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.237 -0.788 2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.456 -2.905 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.513 0.244 4.076 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.622 -0.812 4.879 1.00 0.00 H new ATOM 595 N LEU A 48 3.164 -3.096 2.152 1.00 0.00 N ATOM 596 CA LEU A 48 2.201 -2.687 3.214 1.00 0.00 C ATOM 597 C LEU A 48 1.671 -3.925 3.949 1.00 0.00 C ATOM 598 O LEU A 48 1.500 -3.920 5.153 1.00 0.00 O ATOM 599 CB LEU A 48 1.074 -1.971 2.456 1.00 0.00 C ATOM 600 CG LEU A 48 0.295 -1.037 3.391 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.463 -1.865 4.429 1.00 0.00 C ATOM 602 CD2 LEU A 48 1.257 -0.082 4.105 1.00 0.00 C ATOM 0 H LEU A 48 2.982 -2.704 1.228 1.00 0.00 H new ATOM 0 HA LEU A 48 2.653 -2.046 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.493 -1.398 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.397 -2.707 2.023 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.412 -0.455 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.016 -1.200 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.159 -2.534 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.245 -2.453 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.693 0.576 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.973 -0.658 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.791 0.516 3.367 1.00 0.00 H new ATOM 614 N ARG A 49 1.413 -4.987 3.232 1.00 0.00 N ATOM 615 CA ARG A 49 0.901 -6.225 3.892 1.00 0.00 C ATOM 616 C ARG A 49 1.964 -6.803 4.828 1.00 0.00 C ATOM 617 O ARG A 49 1.820 -6.784 6.035 1.00 0.00 O ATOM 618 CB ARG A 49 0.612 -7.197 2.745 1.00 0.00 C ATOM 619 CG ARG A 49 0.113 -8.525 3.317 1.00 0.00 C ATOM 620 CD ARG A 49 0.216 -9.615 2.248 1.00 0.00 C ATOM 621 NE ARG A 49 0.595 -10.849 2.993 1.00 0.00 N ATOM 622 CZ ARG A 49 1.755 -11.408 2.783 1.00 0.00 C ATOM 623 NH1 ARG A 49 2.790 -11.048 3.494 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.882 -12.326 1.865 1.00 0.00 N ATOM 0 H ARG A 49 1.534 -5.051 2.221 1.00 0.00 H new ATOM 0 HA ARG A 49 0.015 -6.033 4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.136 -6.773 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.514 -7.359 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.704 -8.801 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.920 -8.424 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.731 -9.745 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.964 -9.362 1.497 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.053 -11.257 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.691 -10.331 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.697 -11.484 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.074 -12.608 1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.790 -12.762 1.702 1.00 0.00 H new ATOM 638 N GLU A 50 3.032 -7.320 4.281 1.00 0.00 N ATOM 639 CA GLU A 50 4.104 -7.900 5.140 1.00 0.00 C ATOM 640 C GLU A 50 4.624 -6.846 6.123 1.00 0.00 C ATOM 641 O GLU A 50 5.105 -7.166 7.191 1.00 0.00 O ATOM 642 CB GLU A 50 5.206 -8.319 4.165 1.00 0.00 C ATOM 643 CG GLU A 50 5.739 -7.087 3.432 1.00 0.00 C ATOM 644 CD GLU A 50 6.981 -7.472 2.625 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.818 -7.920 1.503 1.00 0.00 O ATOM 646 OE2 GLU A 50 8.074 -7.314 3.144 1.00 0.00 O ATOM 0 H GLU A 50 3.208 -7.366 3.277 1.00 0.00 H new ATOM 0 HA GLU A 50 3.748 -8.739 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.015 -8.812 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.816 -9.041 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.972 -6.684 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.986 -6.303 4.148 1.00 0.00 H new ATOM 653 N TYR A 51 4.530 -5.593 5.768 1.00 0.00 N ATOM 654 CA TYR A 51 5.016 -4.517 6.682 1.00 0.00 C ATOM 655 C TYR A 51 4.411 -4.701 8.079 1.00 0.00 C ATOM 656 O TYR A 51 5.111 -4.949 9.041 1.00 0.00 O ATOM 657 CB TYR A 51 4.535 -3.211 6.040 1.00 0.00 C ATOM 658 CG TYR A 51 4.753 -2.054 6.990 1.00 0.00 C ATOM 659 CD1 TYR A 51 3.755 -1.720 7.933 1.00 0.00 C ATOM 660 CD2 TYR A 51 5.951 -1.306 6.934 1.00 0.00 C ATOM 661 CE1 TYR A 51 3.954 -0.640 8.822 1.00 0.00 C ATOM 662 CE2 TYR A 51 6.150 -0.225 7.823 1.00 0.00 C ATOM 663 CZ TYR A 51 5.152 0.108 8.765 1.00 0.00 C ATOM 664 OH TYR A 51 5.347 1.165 9.633 1.00 0.00 O ATOM 0 H TYR A 51 4.138 -5.267 4.885 1.00 0.00 H new ATOM 0 HA TYR A 51 6.099 -4.529 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.074 -3.034 5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.478 -3.289 5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.839 -2.291 7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.714 -1.560 6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.192 -0.386 9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.066 0.346 7.782 1.00 0.00 H new ATOM 0 HH TYR A 51 4.510 1.664 9.734 1.00 0.00 H new ATOM 674 N PHE A 52 3.118 -4.580 8.198 1.00 0.00 N ATOM 675 CA PHE A 52 2.477 -4.749 9.534 1.00 0.00 C ATOM 676 C PHE A 52 2.419 -6.231 9.922 1.00 0.00 C ATOM 677 O PHE A 52 2.110 -6.574 11.047 1.00 0.00 O ATOM 678 CB PHE A 52 1.070 -4.178 9.376 1.00 0.00 C ATOM 679 CG PHE A 52 0.786 -3.223 10.509 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.331 -3.715 11.751 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.981 -1.836 10.326 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.068 -2.819 12.813 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.718 -0.940 11.388 1.00 0.00 C ATOM 684 CZ PHE A 52 0.262 -1.433 12.630 1.00 0.00 C ATOM 0 H PHE A 52 2.478 -4.372 7.431 1.00 0.00 H new ATOM 0 HA PHE A 52 3.036 -4.243 10.321 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.980 -3.662 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.337 -4.984 9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.184 -4.776 11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.331 -1.460 9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.281 -3.195 13.763 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.866 0.121 11.249 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.061 -0.749 13.441 1.00 0.00 H new ATOM 694 N GLU A 53 2.718 -7.115 9.006 1.00 0.00 N ATOM 695 CA GLU A 53 2.680 -8.569 9.333 1.00 0.00 C ATOM 696 C GLU A 53 3.989 -8.994 10.003 1.00 0.00 C ATOM 697 O GLU A 53 3.993 -9.540 11.088 1.00 0.00 O ATOM 698 CB GLU A 53 2.512 -9.273 7.984 1.00 0.00 C ATOM 699 CG GLU A 53 1.745 -10.583 8.184 1.00 0.00 C ATOM 700 CD GLU A 53 2.564 -11.746 7.620 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.474 -12.190 8.301 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.267 -12.173 6.516 1.00 0.00 O ATOM 0 H GLU A 53 2.986 -6.892 8.047 1.00 0.00 H new ATOM 0 HA GLU A 53 1.875 -8.817 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.975 -8.627 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.488 -9.474 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.548 -10.743 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.777 -10.530 7.685 1.00 0.00 H new ATOM 709 N LYS A 54 5.101 -8.746 9.367 1.00 0.00 N ATOM 710 CA LYS A 54 6.408 -9.136 9.971 1.00 0.00 C ATOM 711 C LYS A 54 6.667 -8.319 11.239 1.00 0.00 C ATOM 712 O LYS A 54 7.163 -8.826 12.226 1.00 0.00 O ATOM 713 CB LYS A 54 7.455 -8.816 8.903 1.00 0.00 C ATOM 714 CG LYS A 54 8.370 -10.027 8.706 1.00 0.00 C ATOM 715 CD LYS A 54 9.082 -9.915 7.357 1.00 0.00 C ATOM 716 CE LYS A 54 10.568 -10.234 7.535 1.00 0.00 C ATOM 717 NZ LYS A 54 11.269 -8.939 7.313 1.00 0.00 N ATOM 0 H LYS A 54 5.162 -8.291 8.456 1.00 0.00 H new ATOM 0 HA LYS A 54 6.431 -10.187 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.965 -8.560 7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.042 -7.948 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.102 -10.078 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.787 -10.947 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.635 -10.603 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.961 -8.910 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.771 -10.627 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.898 -10.989 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.294 -9.077 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.063 -8.593 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.940 -8.242 8.011 1.00 0.00 H new ATOM 731 N LEU A 55 6.331 -7.058 11.224 1.00 0.00 N ATOM 732 CA LEU A 55 6.555 -6.211 12.430 1.00 0.00 C ATOM 733 C LEU A 55 5.840 -6.821 13.637 1.00 0.00 C ATOM 734 O LEU A 55 6.423 -7.016 14.686 1.00 0.00 O ATOM 735 CB LEU A 55 5.952 -4.851 12.077 1.00 0.00 C ATOM 736 CG LEU A 55 7.045 -3.939 11.517 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.411 -2.662 10.961 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.027 -3.575 12.634 1.00 0.00 C ATOM 0 H LEU A 55 5.911 -6.577 10.428 1.00 0.00 H new ATOM 0 HA LEU A 55 7.610 -6.130 12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.155 -4.974 11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.504 -4.399 12.962 1.00 0.00 H new ATOM 0 HG LEU A 55 7.576 -4.458 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.190 -2.013 10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.711 -2.920 10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.879 -2.143 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.806 -2.925 12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.495 -3.057 13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.480 -4.484 13.031 1.00 0.00 H new ATOM 750 N GLU A 56 4.579 -7.128 13.497 1.00 0.00 N ATOM 751 CA GLU A 56 3.825 -7.729 14.634 1.00 0.00 C ATOM 752 C GLU A 56 4.436 -9.079 15.013 1.00 0.00 C ATOM 753 O GLU A 56 4.813 -9.308 16.144 1.00 0.00 O ATOM 754 CB GLU A 56 2.401 -7.911 14.110 1.00 0.00 C ATOM 755 CG GLU A 56 1.434 -8.042 15.289 1.00 0.00 C ATOM 756 CD GLU A 56 1.294 -6.689 15.986 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.985 -5.723 15.309 1.00 0.00 O ATOM 758 OE2 GLU A 56 1.497 -6.641 17.190 1.00 0.00 O ATOM 0 H GLU A 56 4.038 -6.988 12.644 1.00 0.00 H new ATOM 0 HA GLU A 56 3.853 -7.105 15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.120 -7.061 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.345 -8.799 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.461 -8.385 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.801 -8.789 15.993 1.00 0.00 H new ATOM 765 N LYS A 57 4.539 -9.972 14.069 1.00 0.00 N ATOM 766 CA LYS A 57 5.126 -11.310 14.364 1.00 0.00 C ATOM 767 C LYS A 57 6.643 -11.274 14.150 1.00 0.00 C ATOM 768 O LYS A 57 7.198 -12.079 13.428 1.00 0.00 O ATOM 769 CB LYS A 57 4.465 -12.260 13.367 1.00 0.00 C ATOM 770 CG LYS A 57 4.231 -13.618 14.029 1.00 0.00 C ATOM 771 CD LYS A 57 4.534 -14.734 13.027 1.00 0.00 C ATOM 772 CE LYS A 57 3.633 -15.939 13.315 1.00 0.00 C ATOM 773 NZ LYS A 57 3.560 -16.680 12.026 1.00 0.00 N ATOM 0 H LYS A 57 4.241 -9.833 13.103 1.00 0.00 H new ATOM 0 HA LYS A 57 4.956 -11.621 15.395 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.518 -11.843 13.025 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.098 -12.377 12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.868 -13.721 14.907 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.199 -13.694 14.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.369 -14.378 12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.582 -15.025 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.049 -16.563 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.644 -15.622 13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.959 -17.521 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.154 -16.063 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.516 -16.974 11.740 1.00 0.00 H new ATOM 787 N GLU A 58 7.317 -10.342 14.768 1.00 0.00 N ATOM 788 CA GLU A 58 8.795 -10.252 14.600 1.00 0.00 C ATOM 789 C GLU A 58 9.483 -11.411 15.324 1.00 0.00 C ATOM 790 O GLU A 58 10.223 -11.215 16.267 1.00 0.00 O ATOM 791 CB GLU A 58 9.186 -8.916 15.231 1.00 0.00 C ATOM 792 CG GLU A 58 8.816 -8.923 16.716 1.00 0.00 C ATOM 793 CD GLU A 58 10.075 -8.708 17.557 1.00 0.00 C ATOM 794 OE1 GLU A 58 10.845 -7.823 17.220 1.00 0.00 O ATOM 795 OE2 GLU A 58 10.248 -9.432 18.523 1.00 0.00 O ATOM 0 H GLU A 58 6.907 -9.639 15.382 1.00 0.00 H new ATOM 0 HA GLU A 58 9.095 -10.311 13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.256 -8.746 15.113 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.675 -8.098 14.722 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.089 -8.138 16.924 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.347 -9.871 16.980 1.00 0.00 H new ATOM 922 N CYS B 16 10.311 14.068 7.289 1.00 0.00 N ATOM 923 CA CYS B 16 9.888 12.861 6.519 1.00 0.00 C ATOM 924 C CYS B 16 8.364 12.699 6.580 1.00 0.00 C ATOM 925 O CYS B 16 7.773 12.007 5.775 1.00 0.00 O ATOM 926 CB CYS B 16 10.580 11.687 7.212 1.00 0.00 C ATOM 927 SG CYS B 16 10.513 10.227 6.143 1.00 0.00 S ATOM 0 HA CYS B 16 10.157 12.929 5.465 1.00 0.00 H new ATOM 0 HB2 CYS B 16 11.617 11.941 7.433 1.00 0.00 H new ATOM 0 HB3 CYS B 16 10.094 11.476 8.164 1.00 0.00 H new ATOM 932 N GLU B 17 7.724 13.333 7.525 1.00 0.00 N ATOM 933 CA GLU B 17 6.240 13.212 7.633 1.00 0.00 C ATOM 934 C GLU B 17 5.570 13.786 6.382 1.00 0.00 C ATOM 935 O GLU B 17 4.536 13.319 5.950 1.00 0.00 O ATOM 936 CB GLU B 17 5.864 14.033 8.866 1.00 0.00 C ATOM 937 CG GLU B 17 4.392 13.795 9.205 1.00 0.00 C ATOM 938 CD GLU B 17 3.942 14.805 10.265 1.00 0.00 C ATOM 939 OE1 GLU B 17 4.598 15.823 10.400 1.00 0.00 O ATOM 940 OE2 GLU B 17 2.951 14.539 10.924 1.00 0.00 O ATOM 0 H GLU B 17 8.163 13.929 8.227 1.00 0.00 H new ATOM 0 HA GLU B 17 5.916 12.175 7.719 1.00 0.00 H new ATOM 0 HB2 GLU B 17 6.493 13.751 9.710 1.00 0.00 H new ATOM 0 HB3 GLU B 17 6.039 15.092 8.678 1.00 0.00 H new ATOM 0 HG2 GLU B 17 3.780 13.896 8.308 1.00 0.00 H new ATOM 0 HG3 GLU B 17 4.252 12.779 9.573 1.00 0.00 H new ATOM 947 N LEU B 18 6.152 14.799 5.797 1.00 0.00 N ATOM 948 CA LEU B 18 5.546 15.404 4.576 1.00 0.00 C ATOM 949 C LEU B 18 6.007 14.655 3.319 1.00 0.00 C ATOM 950 O LEU B 18 5.790 15.099 2.210 1.00 0.00 O ATOM 951 CB LEU B 18 6.056 16.843 4.555 1.00 0.00 C ATOM 952 CG LEU B 18 4.870 17.805 4.443 1.00 0.00 C ATOM 953 CD1 LEU B 18 3.934 17.604 5.637 1.00 0.00 C ATOM 954 CD2 LEU B 18 5.379 19.248 4.434 1.00 0.00 C ATOM 0 H LEU B 18 7.020 15.233 6.112 1.00 0.00 H new ATOM 0 HA LEU B 18 4.457 15.353 4.591 1.00 0.00 H new ATOM 0 HB2 LEU B 18 6.623 17.052 5.462 1.00 0.00 H new ATOM 0 HB3 LEU B 18 6.735 16.987 3.715 1.00 0.00 H new ATOM 0 HG LEU B 18 4.329 17.605 3.518 1.00 0.00 H new ATOM 0 HD11 LEU B 18 3.090 18.289 5.557 1.00 0.00 H new ATOM 0 HD12 LEU B 18 3.569 16.577 5.644 1.00 0.00 H new ATOM 0 HD13 LEU B 18 4.476 17.803 6.562 1.00 0.00 H new ATOM 0 HD21 LEU B 18 4.534 19.931 4.354 1.00 0.00 H new ATOM 0 HD22 LEU B 18 5.922 19.448 5.358 1.00 0.00 H new ATOM 0 HD23 LEU B 18 6.045 19.394 3.583 1.00 0.00 H new ATOM 966 N TYR B 19 6.639 13.523 3.480 1.00 0.00 N ATOM 967 CA TYR B 19 7.109 12.754 2.291 1.00 0.00 C ATOM 968 C TYR B 19 6.029 11.769 1.827 1.00 0.00 C ATOM 969 O TYR B 19 6.302 10.834 1.099 1.00 0.00 O ATOM 970 CB TYR B 19 8.342 11.996 2.779 1.00 0.00 C ATOM 971 CG TYR B 19 9.067 11.396 1.598 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.903 12.205 0.797 1.00 0.00 C ATOM 973 CD2 TYR B 19 8.905 10.026 1.293 1.00 0.00 C ATOM 974 CE1 TYR B 19 10.579 11.643 -0.308 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.582 9.463 0.186 1.00 0.00 C ATOM 976 CZ TYR B 19 10.419 10.274 -0.614 1.00 0.00 C ATOM 977 OH TYR B 19 11.080 9.729 -1.696 1.00 0.00 O ATOM 0 H TYR B 19 6.850 13.098 4.383 1.00 0.00 H new ATOM 0 HA TYR B 19 7.330 13.403 1.443 1.00 0.00 H new ATOM 0 HB2 TYR B 19 9.005 12.670 3.321 1.00 0.00 H new ATOM 0 HB3 TYR B 19 8.047 11.211 3.475 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.025 13.253 1.030 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.264 9.409 1.905 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.219 12.261 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR B 19 9.460 8.416 -0.048 1.00 0.00 H new ATOM 0 HH TYR B 19 11.921 10.211 -1.843 1.00 0.00 H new ATOM 987 N VAL B 20 4.810 11.966 2.247 1.00 0.00 N ATOM 988 CA VAL B 20 3.719 11.036 1.835 1.00 0.00 C ATOM 989 C VAL B 20 3.594 10.990 0.307 1.00 0.00 C ATOM 990 O VAL B 20 4.131 10.112 -0.338 1.00 0.00 O ATOM 991 CB VAL B 20 2.450 11.614 2.472 1.00 0.00 C ATOM 992 CG1 VAL B 20 1.227 10.828 1.992 1.00 0.00 C ATOM 993 CG2 VAL B 20 2.552 11.508 3.996 1.00 0.00 C ATOM 0 H VAL B 20 4.521 12.730 2.858 1.00 0.00 H new ATOM 0 HA VAL B 20 3.907 10.012 2.156 1.00 0.00 H new ATOM 0 HB VAL B 20 2.346 12.659 2.182 1.00 0.00 H new ATOM 0 HG11 VAL B 20 0.327 11.242 2.447 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.151 10.900 0.907 1.00 0.00 H new ATOM 0 HG13 VAL B 20 1.331 9.782 2.280 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.650 11.919 4.450 1.00 0.00 H new ATOM 0 HG22 VAL B 20 2.658 10.461 4.282 1.00 0.00 H new ATOM 0 HG23 VAL B 20 3.420 12.068 4.342 1.00 0.00 H new ATOM 1003 N GLN B 21 2.887 11.921 -0.277 1.00 0.00 N ATOM 1004 CA GLN B 21 2.727 11.913 -1.761 1.00 0.00 C ATOM 1005 C GLN B 21 4.032 12.320 -2.446 1.00 0.00 C ATOM 1006 O GLN B 21 4.210 12.098 -3.627 1.00 0.00 O ATOM 1007 CB GLN B 21 1.631 12.940 -2.048 1.00 0.00 C ATOM 1008 CG GLN B 21 0.276 12.235 -2.137 1.00 0.00 C ATOM 1009 CD GLN B 21 -0.846 13.269 -2.029 1.00 0.00 C ATOM 1010 OE1 GLN B 21 -0.645 14.349 -1.512 1.00 0.00 O ATOM 1011 NE2 GLN B 21 -2.029 12.983 -2.503 1.00 0.00 N ATOM 0 H GLN B 21 2.415 12.684 0.207 1.00 0.00 H new ATOM 0 HA GLN B 21 2.471 10.923 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN B 21 1.609 13.693 -1.260 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.843 13.461 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.197 11.694 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.184 11.499 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -2.199 12.076 -2.938 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -2.783 13.667 -2.439 1.00 0.00 H new ATOM 1020 N LYS B 22 4.959 12.898 -1.720 1.00 0.00 N ATOM 1021 CA LYS B 22 6.255 13.293 -2.352 1.00 0.00 C ATOM 1022 C LYS B 22 6.826 12.101 -3.124 1.00 0.00 C ATOM 1023 O LYS B 22 7.548 12.254 -4.089 1.00 0.00 O ATOM 1024 CB LYS B 22 7.170 13.670 -1.187 1.00 0.00 C ATOM 1025 CG LYS B 22 6.907 15.122 -0.779 1.00 0.00 C ATOM 1026 CD LYS B 22 8.230 15.805 -0.433 1.00 0.00 C ATOM 1027 CE LYS B 22 7.957 17.222 0.074 1.00 0.00 C ATOM 1028 NZ LYS B 22 8.861 17.393 1.246 1.00 0.00 N ATOM 0 H LYS B 22 4.875 13.111 -0.726 1.00 0.00 H new ATOM 0 HA LYS B 22 6.147 14.118 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS B 22 6.992 13.006 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS B 22 8.214 13.546 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS B 22 6.413 15.655 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS B 22 6.235 15.153 0.078 1.00 0.00 H new ATOM 0 HD2 LYS B 22 8.759 15.231 0.328 1.00 0.00 H new ATOM 0 HD3 LYS B 22 8.874 15.840 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS B 22 8.165 17.964 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS B 22 6.912 17.344 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 8.731 18.343 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 8.635 16.678 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.849 17.278 0.942 1.00 0.00 H new ATOM 1042 N HIS B 23 6.478 10.916 -2.707 1.00 0.00 N ATOM 1043 CA HIS B 23 6.956 9.695 -3.408 1.00 0.00 C ATOM 1044 C HIS B 23 5.747 8.894 -3.893 1.00 0.00 C ATOM 1045 O HIS B 23 5.419 8.897 -5.061 1.00 0.00 O ATOM 1046 CB HIS B 23 7.747 8.914 -2.356 1.00 0.00 C ATOM 1047 CG HIS B 23 8.163 7.585 -2.922 1.00 0.00 C ATOM 1048 ND1 HIS B 23 9.387 7.396 -3.544 1.00 0.00 N ATOM 1049 CD2 HIS B 23 7.529 6.366 -2.966 1.00 0.00 C ATOM 1050 CE1 HIS B 23 9.451 6.109 -3.932 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.343 5.437 -3.605 1.00 0.00 N ATOM 0 H HIS B 23 5.877 10.741 -1.902 1.00 0.00 H new ATOM 0 HA HIS B 23 7.572 9.915 -4.280 1.00 0.00 H new ATOM 0 HB2 HIS B 23 8.626 9.482 -2.051 1.00 0.00 H new ATOM 0 HB3 HIS B 23 7.138 8.766 -1.464 1.00 0.00 H new ATOM 0 HD2 HIS B 23 6.547 6.161 -2.565 1.00 0.00 H new ATOM 0 HE1 HIS B 23 10.295 5.672 -4.445 1.00 0.00 H new ATOM 0 HE2 HIS B 23 8.138 4.454 -3.785 1.00 0.00 H new ATOM 1059 N ASN B 24 5.070 8.220 -2.995 1.00 0.00 N ATOM 1060 CA ASN B 24 3.869 7.425 -3.391 1.00 0.00 C ATOM 1061 C ASN B 24 3.241 6.768 -2.157 1.00 0.00 C ATOM 1062 O ASN B 24 2.899 5.601 -2.169 1.00 0.00 O ATOM 1063 CB ASN B 24 4.394 6.359 -4.353 1.00 0.00 C ATOM 1064 CG ASN B 24 3.241 5.463 -4.809 1.00 0.00 C ATOM 1065 OD1 ASN B 24 3.379 4.256 -4.864 1.00 0.00 O ATOM 1066 ND2 ASN B 24 2.101 6.006 -5.140 1.00 0.00 N ATOM 0 H ASN B 24 5.300 8.187 -2.002 1.00 0.00 H new ATOM 0 HA ASN B 24 3.099 8.045 -3.851 1.00 0.00 H new ATOM 0 HB2 ASN B 24 4.862 6.833 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.161 5.760 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.325 5.418 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.986 7.018 -5.094 1.00 0.00 H new ATOM 1073 N ILE B 25 3.088 7.504 -1.092 1.00 0.00 N ATOM 1074 CA ILE B 25 2.484 6.916 0.139 1.00 0.00 C ATOM 1075 C ILE B 25 0.952 7.009 0.093 1.00 0.00 C ATOM 1076 O ILE B 25 0.272 6.581 1.005 1.00 0.00 O ATOM 1077 CB ILE B 25 3.037 7.757 1.291 1.00 0.00 C ATOM 1078 CG1 ILE B 25 4.566 7.745 1.244 1.00 0.00 C ATOM 1079 CG2 ILE B 25 2.564 7.172 2.624 1.00 0.00 C ATOM 1080 CD1 ILE B 25 5.074 6.310 1.395 1.00 0.00 C ATOM 0 H ILE B 25 3.354 8.486 -1.019 1.00 0.00 H new ATOM 0 HA ILE B 25 2.727 5.859 0.246 1.00 0.00 H new ATOM 0 HB ILE B 25 2.678 8.782 1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.914 8.167 0.301 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.969 8.370 2.041 1.00 0.00 H new ATOM 0 HG21 ILE B 25 2.958 7.771 3.445 1.00 0.00 H new ATOM 0 HG22 ILE B 25 1.475 7.181 2.659 1.00 0.00 H new ATOM 0 HG23 ILE B 25 2.922 6.147 2.719 1.00 0.00 H new ATOM 0 HD11 ILE B 25 6.163 6.304 1.361 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.738 5.904 2.349 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.683 5.698 0.582 1.00 0.00 H new ATOM 1092 N GLN B 26 0.402 7.563 -0.955 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.084 7.676 -1.043 1.00 0.00 C ATOM 1094 C GLN B 26 -1.718 6.293 -1.233 1.00 0.00 C ATOM 1095 O GLN B 26 -2.908 6.117 -1.061 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.338 8.552 -2.269 1.00 0.00 C ATOM 1097 CG GLN B 26 -2.735 9.167 -2.178 1.00 0.00 C ATOM 1098 CD GLN B 26 -3.059 9.897 -3.483 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -2.335 9.784 -4.452 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -4.126 10.646 -3.551 1.00 0.00 N ATOM 0 H GLN B 26 0.915 7.941 -1.751 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.518 8.099 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.586 9.339 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.250 7.957 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -3.475 8.389 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -2.784 9.861 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -4.735 10.742 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -4.351 11.136 -4.417 1.00 0.00 H new ATOM 1109 N ALA B 27 -0.935 5.311 -1.589 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.499 3.943 -1.795 1.00 0.00 C ATOM 1111 C ALA B 27 -2.270 3.490 -0.551 1.00 0.00 C ATOM 1112 O ALA B 27 -3.477 3.352 -0.574 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.282 3.048 -2.032 1.00 0.00 C ATOM 0 H ALA B 27 0.069 5.395 -1.746 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.201 3.907 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -0.611 2.021 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA B 27 0.261 3.397 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.373 3.087 -1.162 1.00 0.00 H new ATOM 1119 N LEU B 28 -1.585 3.253 0.534 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.281 2.805 1.776 1.00 0.00 C ATOM 1121 C LEU B 28 -3.251 3.886 2.264 1.00 0.00 C ATOM 1122 O LEU B 28 -4.396 3.611 2.567 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.151 2.577 2.794 1.00 0.00 C ATOM 1124 CG LEU B 28 -1.707 2.138 4.167 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -2.230 3.359 4.925 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -2.841 1.119 3.994 1.00 0.00 C ATOM 0 H LEU B 28 -0.573 3.350 0.615 1.00 0.00 H new ATOM 0 HA LEU B 28 -2.877 1.906 1.620 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.468 1.816 2.417 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.574 3.494 2.910 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.901 1.670 4.732 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -2.622 3.046 5.893 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.417 4.070 5.075 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -3.024 3.833 4.348 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -3.217 0.824 4.973 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -3.648 1.568 3.415 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -2.464 0.240 3.470 1.00 0.00 H new ATOM 1138 N LEU B 29 -2.800 5.105 2.354 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.692 6.203 2.837 1.00 0.00 C ATOM 1140 C LEU B 29 -4.982 6.272 2.011 1.00 0.00 C ATOM 1141 O LEU B 29 -6.040 6.568 2.529 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.874 7.483 2.655 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.302 7.922 4.004 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.448 8.239 4.968 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.441 6.798 4.586 1.00 0.00 C ATOM 0 H LEU B 29 -1.851 5.392 2.114 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.998 6.048 3.872 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.066 7.312 1.944 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.502 8.272 2.241 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.689 8.813 3.864 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.039 8.552 5.929 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -4.059 9.042 4.555 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.063 7.350 5.107 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.034 7.112 5.547 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.052 5.906 4.725 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.623 6.574 3.901 1.00 0.00 H new ATOM 1157 N LYS B 30 -4.907 6.013 0.735 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.136 6.081 -0.111 1.00 0.00 C ATOM 1159 C LYS B 30 -7.273 5.260 0.518 1.00 0.00 C ATOM 1160 O LYS B 30 -8.112 5.787 1.224 1.00 0.00 O ATOM 1161 CB LYS B 30 -5.721 5.499 -1.465 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.944 5.400 -2.380 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.501 5.505 -3.840 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.774 6.920 -4.360 1.00 0.00 C ATOM 1165 NZ LYS B 30 -7.840 6.751 -5.386 1.00 0.00 N ATOM 0 H LYS B 30 -4.052 5.758 0.241 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.512 7.100 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -4.960 6.130 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -5.277 4.513 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.460 4.455 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.652 6.195 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -5.439 5.274 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.036 4.774 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -7.100 7.580 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -5.876 7.362 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -8.083 7.678 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -7.499 6.123 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -8.684 6.334 -4.944 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.313 3.980 0.264 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.401 3.140 0.844 1.00 0.00 C ATOM 1181 C ASP B 31 -8.420 3.262 2.371 1.00 0.00 C ATOM 1182 O ASP B 31 -9.449 3.113 2.999 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.059 1.709 0.425 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.536 1.470 -1.009 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -8.162 2.246 -1.874 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.269 0.519 -1.218 1.00 0.00 O ATOM 0 H ASP B 31 -6.641 3.480 -0.319 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.387 3.447 0.494 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -6.984 1.546 0.494 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.533 0.997 1.101 1.00 0.00 H new ATOM 1191 N SER B 32 -7.295 3.527 2.973 1.00 0.00 N ATOM 1192 CA SER B 32 -7.257 3.653 4.459 1.00 0.00 C ATOM 1193 C SER B 32 -8.188 4.775 4.923 1.00 0.00 C ATOM 1194 O SER B 32 -9.006 4.591 5.803 1.00 0.00 O ATOM 1195 CB SER B 32 -5.806 3.992 4.794 1.00 0.00 C ATOM 1196 OG SER B 32 -5.719 4.391 6.155 1.00 0.00 O ATOM 0 H SER B 32 -6.400 3.662 2.502 1.00 0.00 H new ATOM 0 HA SER B 32 -7.588 2.741 4.955 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.168 3.127 4.615 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.448 4.791 4.145 1.00 0.00 H new ATOM 0 HG SER B 32 -4.789 4.608 6.374 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.068 5.939 4.344 1.00 0.00 N ATOM 1203 CA ILE B 33 -8.946 7.071 4.758 1.00 0.00 C ATOM 1204 C ILE B 33 -10.418 6.708 4.545 1.00 0.00 C ATOM 1205 O ILE B 33 -11.288 7.143 5.274 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.547 8.237 3.850 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.096 8.632 4.137 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.461 9.432 4.122 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.519 9.363 2.921 1.00 0.00 C ATOM 0 H ILE B 33 -7.401 6.155 3.603 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.829 7.316 5.814 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.644 7.935 2.807 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.049 9.273 5.017 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.503 7.745 4.357 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.177 10.262 3.475 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.495 9.153 3.920 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.364 9.735 5.165 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.486 9.645 3.123 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.553 8.706 2.052 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.108 10.259 2.722 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.705 5.918 3.548 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.121 5.534 3.285 1.00 0.00 C ATOM 1223 C VAL B 34 -12.593 4.479 4.294 1.00 0.00 C ATOM 1224 O VAL B 34 -13.760 4.402 4.623 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.117 4.958 1.870 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.536 4.535 1.485 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.621 6.027 0.893 1.00 0.00 C ATOM 0 H VAL B 34 -10.021 5.522 2.904 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.799 6.382 3.382 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.459 4.090 1.831 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.532 4.124 0.475 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -13.892 3.778 2.183 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.196 5.401 1.522 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.616 5.621 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.283 6.892 0.934 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.610 6.330 1.167 1.00 0.00 H new ATOM 1237 N GLN B 35 -11.698 3.666 4.786 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.105 2.617 5.769 1.00 0.00 C ATOM 1239 C GLN B 35 -12.006 3.159 7.200 1.00 0.00 C ATOM 1240 O GLN B 35 -12.861 2.908 8.026 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.111 1.475 5.560 1.00 0.00 C ATOM 1242 CG GLN B 35 -11.752 0.391 4.691 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.471 -0.622 5.583 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.009 -0.936 6.663 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -13.593 -1.150 5.176 1.00 0.00 N ATOM 0 H GLN B 35 -10.705 3.681 4.552 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.136 2.295 5.624 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.206 1.850 5.083 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -10.815 1.057 6.522 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -12.457 0.841 3.992 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.989 -0.110 4.095 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -13.981 -0.887 4.270 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -14.082 -1.825 5.764 1.00 0.00 H new ATOM 1254 N LEU B 36 -10.970 3.889 7.499 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.818 4.438 8.877 1.00 0.00 C ATOM 1256 C LEU B 36 -11.796 5.594 9.112 1.00 0.00 C ATOM 1257 O LEU B 36 -12.034 5.994 10.233 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.374 4.932 8.952 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.487 3.835 9.547 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.956 3.516 10.967 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.583 2.575 8.684 1.00 0.00 C ATOM 0 H LEU B 36 -10.221 4.130 6.850 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.034 3.689 9.639 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.019 5.201 7.957 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.318 5.832 9.565 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.453 4.179 9.573 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.325 2.735 11.392 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.888 4.413 11.583 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -9.990 3.172 10.940 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.951 1.795 9.108 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -9.617 2.230 8.657 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.249 2.801 7.671 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.365 6.137 8.067 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.325 7.267 8.247 1.00 0.00 C ATOM 1275 C CYS B 37 -14.397 6.885 9.273 1.00 0.00 C ATOM 1276 O CYS B 37 -14.993 7.733 9.909 1.00 0.00 O ATOM 1277 CB CYS B 37 -13.952 7.486 6.869 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.063 9.262 6.533 1.00 0.00 S ATOM 0 H CYS B 37 -12.208 5.849 7.101 1.00 0.00 H new ATOM 0 HA CYS B 37 -12.837 8.169 8.615 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.351 6.997 6.102 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -14.944 7.035 6.833 1.00 0.00 H new ATOM 1283 N THR B 38 -14.637 5.614 9.446 1.00 0.00 N ATOM 1284 CA THR B 38 -15.661 5.174 10.437 1.00 0.00 C ATOM 1285 C THR B 38 -15.070 5.224 11.850 1.00 0.00 C ATOM 1286 O THR B 38 -15.780 5.339 12.828 1.00 0.00 O ATOM 1287 CB THR B 38 -16.000 3.736 10.042 1.00 0.00 C ATOM 1288 OG1 THR B 38 -16.502 3.719 8.713 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.060 3.178 10.995 1.00 0.00 C ATOM 0 H THR B 38 -14.168 4.860 8.944 1.00 0.00 H new ATOM 0 HA THR B 38 -16.545 5.811 10.438 1.00 0.00 H new ATOM 0 HB THR B 38 -15.102 3.121 10.101 1.00 0.00 H new ATOM 0 HG1 THR B 38 -16.718 2.798 8.457 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.300 2.153 10.712 1.00 0.00 H new ATOM 0 HG22 THR B 38 -16.676 3.192 12.015 1.00 0.00 H new ATOM 0 HG23 THR B 38 -17.960 3.791 10.938 1.00 0.00 H new ATOM 1297 N ALA B 39 -13.771 5.145 11.959 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.118 5.195 13.301 1.00 0.00 C ATOM 1299 C ALA B 39 -13.697 4.124 14.229 1.00 0.00 C ATOM 1300 O ALA B 39 -13.685 4.265 15.435 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.429 6.589 13.842 1.00 0.00 C ATOM 0 H ALA B 39 -13.130 5.047 11.172 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.046 5.006 13.236 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -12.982 6.704 14.829 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.019 7.341 13.168 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -14.509 6.718 13.916 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.196 3.051 13.682 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.764 1.979 14.551 1.00 0.00 C ATOM 1309 C ARG B 40 -14.113 0.619 14.241 1.00 0.00 C ATOM 1310 O ARG B 40 -14.805 -0.366 14.080 1.00 0.00 O ATOM 1311 CB ARG B 40 -16.254 1.944 14.210 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.991 2.999 15.037 1.00 0.00 C ATOM 1313 CD ARG B 40 -18.432 3.128 14.534 1.00 0.00 C ATOM 1314 NE ARG B 40 -19.029 1.778 14.727 1.00 0.00 N ATOM 1315 CZ ARG B 40 -20.008 1.613 15.574 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.831 1.881 16.839 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -21.166 1.180 15.157 1.00 0.00 N ATOM 0 H ARG B 40 -14.236 2.869 12.679 1.00 0.00 H new ATOM 0 HA ARG B 40 -14.584 2.176 15.608 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.399 2.133 13.146 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.662 0.955 14.416 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.986 2.719 16.090 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.480 3.959 14.960 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -18.980 3.886 15.095 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -18.459 3.426 13.486 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.673 0.982 14.197 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -18.927 2.220 17.167 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.597 1.752 17.500 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -21.306 0.970 14.169 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -21.931 1.051 15.819 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.801 0.602 14.173 1.00 0.00 N ATOM 1332 CA PRO B 41 -12.082 -0.665 13.886 1.00 0.00 C ATOM 1333 C PRO B 41 -12.038 -1.550 15.136 1.00 0.00 C ATOM 1334 O PRO B 41 -11.559 -1.144 16.177 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.677 -0.205 13.516 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.505 1.118 14.195 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.874 1.731 14.345 1.00 0.00 C ATOM 0 HA PRO B 41 -12.558 -1.255 13.103 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.927 -0.921 13.853 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.565 -0.111 12.436 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -10.033 0.991 15.169 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.856 1.768 13.609 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.995 2.199 15.322 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.047 2.505 13.597 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.521 -2.759 15.045 1.00 0.00 N ATOM 1346 CA GLU B 42 -12.491 -3.661 16.232 1.00 0.00 C ATOM 1347 C GLU B 42 -11.047 -3.829 16.715 1.00 0.00 C ATOM 1348 O GLU B 42 -10.744 -3.657 17.879 1.00 0.00 O ATOM 1349 CB GLU B 42 -13.050 -4.996 15.734 1.00 0.00 C ATOM 1350 CG GLU B 42 -13.173 -5.969 16.908 1.00 0.00 C ATOM 1351 CD GLU B 42 -14.456 -6.789 16.760 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -14.601 -7.445 15.743 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -15.270 -6.745 17.666 1.00 0.00 O ATOM 0 H GLU B 42 -12.934 -3.161 14.203 1.00 0.00 H new ATOM 0 HA GLU B 42 -13.070 -3.270 17.069 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -14.025 -4.844 15.271 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.395 -5.414 14.969 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -12.307 -6.631 16.938 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.187 -5.420 17.849 1.00 0.00 H new ATOM 1360 N ARG B 43 -10.155 -4.159 15.822 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.726 -4.333 16.213 1.00 0.00 C ATOM 1362 C ARG B 43 -7.821 -3.727 15.135 1.00 0.00 C ATOM 1363 O ARG B 43 -7.497 -4.383 14.165 1.00 0.00 O ATOM 1364 CB ARG B 43 -8.520 -5.846 16.303 1.00 0.00 C ATOM 1365 CG ARG B 43 -7.351 -6.146 17.246 1.00 0.00 C ATOM 1366 CD ARG B 43 -7.302 -7.649 17.534 1.00 0.00 C ATOM 1367 NE ARG B 43 -6.815 -7.754 18.937 1.00 0.00 N ATOM 1368 CZ ARG B 43 -6.650 -8.926 19.485 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -5.822 -9.784 18.953 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -7.312 -9.244 20.565 1.00 0.00 N ATOM 0 H ARG B 43 -10.354 -4.316 14.834 1.00 0.00 H new ATOM 0 HA ARG B 43 -8.485 -3.838 17.154 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -9.428 -6.327 16.667 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -8.318 -6.256 15.313 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -6.413 -5.820 16.796 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -7.468 -5.590 18.176 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -8.286 -8.105 17.422 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.632 -8.162 16.844 1.00 0.00 H new ATOM 0 HE ARG B 43 -6.610 -6.909 19.470 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -5.305 -9.538 18.109 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -5.693 -10.701 19.381 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -7.960 -8.575 20.982 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -7.181 -10.161 20.992 1.00 0.00 H new ATOM 1384 N PRO B 44 -7.449 -2.487 15.329 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.584 -1.789 14.343 1.00 0.00 C ATOM 1386 C PRO B 44 -5.167 -2.366 14.356 1.00 0.00 C ATOM 1387 O PRO B 44 -4.457 -2.314 13.369 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.591 -0.338 14.821 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.905 -0.415 16.279 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.784 -1.622 16.471 1.00 0.00 C ATOM 0 HA PRO B 44 -6.937 -1.896 13.317 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.626 0.139 14.649 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.337 0.250 14.287 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.992 -0.504 16.867 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -7.412 0.490 16.614 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -7.581 -2.117 17.421 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.840 -1.352 16.472 1.00 0.00 H new ATOM 1398 N MET B 45 -4.748 -2.918 15.463 1.00 0.00 N ATOM 1399 CA MET B 45 -3.374 -3.496 15.540 1.00 0.00 C ATOM 1400 C MET B 45 -3.111 -4.424 14.348 1.00 0.00 C ATOM 1401 O MET B 45 -2.192 -4.217 13.582 1.00 0.00 O ATOM 1402 CB MET B 45 -3.353 -4.286 16.850 1.00 0.00 C ATOM 1403 CG MET B 45 -2.835 -3.392 17.977 1.00 0.00 C ATOM 1404 SD MET B 45 -1.034 -3.530 18.079 1.00 0.00 S ATOM 1405 CE MET B 45 -0.931 -3.878 19.852 1.00 0.00 C ATOM 0 H MET B 45 -5.298 -2.994 16.319 1.00 0.00 H new ATOM 0 HA MET B 45 -2.603 -2.726 15.511 1.00 0.00 H new ATOM 0 HB2 MET B 45 -4.355 -4.644 17.087 1.00 0.00 H new ATOM 0 HB3 MET B 45 -2.716 -5.165 16.747 1.00 0.00 H new ATOM 0 HG2 MET B 45 -3.121 -2.356 17.794 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.287 -3.685 18.925 1.00 0.00 H new ATOM 0 HE1 MET B 45 0.113 -4.002 20.138 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.365 -3.049 20.411 1.00 0.00 H new ATOM 0 HE3 MET B 45 -1.479 -4.793 20.076 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.907 -5.445 14.187 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.690 -6.381 13.049 1.00 0.00 C ATOM 1417 C ALA B 46 -4.481 -5.927 11.817 1.00 0.00 C ATOM 1418 O ALA B 46 -4.228 -6.366 10.711 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.198 -7.733 13.543 1.00 0.00 C ATOM 0 H ALA B 46 -4.696 -5.671 14.793 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.643 -6.422 12.750 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.072 -8.478 12.758 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.632 -8.035 14.424 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.254 -7.653 13.801 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.436 -5.050 11.990 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.235 -4.572 10.820 1.00 0.00 C ATOM 1427 C PHE B 47 -5.299 -4.136 9.689 1.00 0.00 C ATOM 1428 O PHE B 47 -5.441 -4.552 8.557 1.00 0.00 O ATOM 1429 CB PHE B 47 -7.030 -3.378 11.342 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.824 -2.759 10.216 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.999 -3.392 9.748 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.394 -1.548 9.631 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.742 -2.811 8.696 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.138 -0.968 8.577 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.310 -1.599 8.110 1.00 0.00 C ATOM 0 H PHE B 47 -5.697 -4.644 12.889 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.885 -5.349 10.418 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.701 -3.697 12.140 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.354 -2.639 11.771 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -9.328 -4.319 10.194 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.497 -1.064 9.988 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.640 -3.293 8.339 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -7.809 -0.042 8.130 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.877 -1.156 7.305 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.341 -3.304 9.994 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.389 -2.841 8.943 1.00 0.00 C ATOM 1447 C LEU B 48 -2.818 -4.046 8.184 1.00 0.00 C ATOM 1448 O LEU B 48 -2.646 -4.011 6.982 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.287 -2.105 9.719 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.542 -1.124 8.804 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.756 -1.903 7.750 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -2.536 -0.187 8.112 1.00 0.00 C ATOM 0 H LEU B 48 -4.176 -2.924 10.926 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.859 -2.199 8.198 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.725 -1.566 10.559 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.584 -2.827 10.135 1.00 0.00 H new ATOM 0 HG LEU B 48 -0.856 -0.530 9.407 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.227 -1.205 7.101 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.036 -2.557 8.242 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.443 -2.504 7.154 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.995 0.504 7.466 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -3.233 -0.774 7.513 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -3.089 0.376 8.864 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.528 -5.114 8.879 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.974 -6.319 8.195 1.00 0.00 C ATOM 1466 C ARG B 49 -3.017 -6.915 7.246 1.00 0.00 C ATOM 1467 O ARG B 49 -2.874 -6.864 6.041 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.652 -7.302 9.322 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.106 -8.601 8.725 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.176 -9.716 9.772 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.510 -10.945 9.001 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.653 -11.547 9.196 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -3.698 -11.209 8.490 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.749 -12.490 10.094 1.00 0.00 N ATOM 0 H ARG B 49 -2.650 -5.204 9.888 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.095 -6.085 7.595 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.920 -6.866 10.002 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.548 -7.507 9.908 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.684 -8.879 7.844 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.076 -8.459 8.399 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.227 -9.825 10.297 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -1.935 -9.504 10.525 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.847 -11.317 8.321 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -3.622 -10.475 7.786 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -4.590 -11.679 8.642 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -1.932 -12.756 10.643 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -3.641 -12.960 10.246 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.065 -7.481 7.782 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.116 -8.078 6.910 1.00 0.00 C ATOM 1490 C GLU B 50 -5.669 -7.022 5.948 1.00 0.00 C ATOM 1491 O GLU B 50 -6.138 -7.334 4.870 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.206 -8.553 7.872 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.781 -7.354 8.628 1.00 0.00 C ATOM 1494 CD GLU B 50 -8.007 -7.795 9.429 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.826 -8.264 10.540 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -9.106 -7.656 8.917 1.00 0.00 O ATOM 0 H GLU B 50 -4.238 -7.555 8.784 1.00 0.00 H new ATOM 0 HA GLU B 50 -4.731 -8.893 6.297 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.997 -9.061 7.320 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -5.794 -9.276 8.576 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -6.028 -6.937 9.296 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -7.056 -6.566 7.927 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.619 -5.774 6.329 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.142 -4.696 5.436 1.00 0.00 C ATOM 1505 C TYR B 51 -5.529 -4.831 4.036 1.00 0.00 C ATOM 1506 O TYR B 51 -6.220 -5.086 3.070 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.704 -3.386 6.105 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.959 -2.217 5.178 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -4.972 -1.828 4.246 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -7.182 -1.515 5.248 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -5.208 -0.735 3.383 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -7.419 -0.422 4.384 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.432 -0.032 3.451 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.664 1.036 2.608 1.00 0.00 O ATOM 0 H TYR B 51 -5.239 -5.453 7.219 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.224 -4.742 5.310 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.249 -3.245 7.038 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.645 -3.435 6.359 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -4.037 -2.366 4.193 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.936 -1.813 5.961 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -4.453 -0.436 2.671 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -8.354 0.115 4.437 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.833 1.541 2.484 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.241 -4.660 3.922 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.594 -4.779 2.582 1.00 0.00 C ATOM 1526 C PHE B 52 -3.486 -6.250 2.163 1.00 0.00 C ATOM 1527 O PHE B 52 -3.159 -6.558 1.035 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.208 -4.165 2.756 1.00 0.00 C ATOM 1529 CG PHE B 52 -1.957 -3.177 1.643 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.486 -3.627 0.388 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.197 -1.801 1.855 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.255 -2.699 -0.652 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.964 -0.874 0.815 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.493 -1.325 -0.437 1.00 0.00 C ATOM 0 H PHE B 52 -3.610 -4.444 4.694 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.169 -4.276 1.804 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.137 -3.667 3.723 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.448 -4.946 2.743 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.303 -4.679 0.225 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.559 -1.458 2.813 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.896 -3.041 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.146 0.178 0.977 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.314 -0.617 -1.232 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.754 -7.164 3.060 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.663 -8.608 2.703 1.00 0.00 C ATOM 1546 C GLU B 53 -4.957 -9.065 2.022 1.00 0.00 C ATOM 1547 O GLU B 53 -4.940 -9.593 0.928 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.475 -9.333 4.035 1.00 0.00 C ATOM 1549 CG GLU B 53 -2.665 -10.613 3.811 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.445 -11.813 4.350 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.339 -12.272 3.657 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.138 -12.250 5.446 1.00 0.00 O ATOM 0 H GLU B 53 -4.031 -6.971 4.022 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.848 -8.812 2.009 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.961 -8.685 4.745 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.445 -9.575 4.469 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.462 -10.746 2.748 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.700 -10.538 4.313 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.078 -8.867 2.661 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.370 -9.291 2.046 1.00 0.00 C ATOM 1561 C LYS B 54 -7.654 -8.459 0.794 1.00 0.00 C ATOM 1562 O LYS B 54 -8.128 -8.963 -0.206 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.428 -9.028 3.118 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.303 -10.271 3.290 1.00 0.00 C ATOM 1565 CD LYS B 54 -10.020 -10.209 4.641 1.00 0.00 C ATOM 1566 CE LYS B 54 -11.493 -10.576 4.455 1.00 0.00 C ATOM 1567 NZ LYS B 54 -12.241 -9.310 4.698 1.00 0.00 N ATOM 0 H LYS B 54 -6.156 -8.431 3.580 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.358 -10.336 1.738 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.948 -8.775 4.063 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.043 -8.174 2.835 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.032 -10.330 2.482 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.690 -11.171 3.233 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.550 -10.895 5.346 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.934 -9.208 5.064 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -11.681 -10.959 3.452 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.797 -11.354 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -13.261 -9.483 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -12.049 -8.973 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.936 -8.590 4.013 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.365 -7.186 0.839 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.614 -6.321 -0.349 1.00 0.00 C ATOM 1583 C LEU B 55 -6.876 -6.881 -1.570 1.00 0.00 C ATOM 1584 O LEU B 55 -7.452 -7.072 -2.622 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.059 -4.950 0.034 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.182 -4.085 0.608 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.594 -2.798 1.190 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.174 -3.731 -0.504 1.00 0.00 C ATOM 0 H LEU B 55 -6.967 -6.708 1.648 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.671 -6.270 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.261 -5.062 0.768 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.623 -4.466 -0.840 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.696 -4.638 1.394 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -8.396 -2.184 1.598 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.888 -3.046 1.982 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -7.078 -2.246 0.404 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -9.974 -3.115 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.658 -3.180 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.597 -4.646 -0.919 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.607 -7.146 -1.433 1.00 0.00 N ATOM 1601 CA GLU B 56 -4.831 -7.699 -2.581 1.00 0.00 C ATOM 1602 C GLU B 56 -5.398 -9.060 -2.989 1.00 0.00 C ATOM 1603 O GLU B 56 -5.767 -9.277 -4.124 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.402 -7.845 -2.058 1.00 0.00 C ATOM 1605 CG GLU B 56 -2.430 -7.918 -3.235 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.339 -6.545 -3.907 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -2.057 -5.585 -3.210 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -2.553 -6.479 -5.106 1.00 0.00 O ATOM 0 H GLU B 56 -5.072 -7.004 -0.576 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.877 -7.058 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.150 -7.000 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.318 -8.744 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -1.445 -8.231 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.767 -8.665 -3.954 1.00 0.00 H new ATOM 1615 N LYS B 57 -5.467 -9.974 -2.065 1.00 0.00 N ATOM 1616 CA LYS B 57 -6.011 -11.326 -2.388 1.00 0.00 C ATOM 1617 C LYS B 57 -7.527 -11.345 -2.175 1.00 0.00 C ATOM 1618 O LYS B 57 -8.055 -12.188 -1.476 1.00 0.00 O ATOM 1619 CB LYS B 57 -5.318 -12.272 -1.406 1.00 0.00 C ATOM 1620 CG LYS B 57 -5.034 -13.607 -2.098 1.00 0.00 C ATOM 1621 CD LYS B 57 -5.305 -14.754 -1.122 1.00 0.00 C ATOM 1622 CE LYS B 57 -4.364 -15.921 -1.431 1.00 0.00 C ATOM 1623 NZ LYS B 57 -4.267 -16.684 -0.156 1.00 0.00 N ATOM 0 H LYS B 57 -5.170 -9.846 -1.097 1.00 0.00 H new ATOM 0 HA LYS B 57 -5.832 -11.612 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -4.387 -11.828 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -5.948 -12.431 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -5.662 -13.712 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -3.999 -13.640 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.157 -14.416 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -6.342 -15.078 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -4.757 -16.543 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -3.386 -15.565 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -3.638 -17.501 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -3.883 -16.068 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -5.212 -17.016 0.123 1.00 0.00 H new ATOM 1637 N GLU B 58 -8.232 -10.424 -2.774 1.00 0.00 N ATOM 1638 CA GLU B 58 -9.713 -10.391 -2.606 1.00 0.00 C ATOM 1639 C GLU B 58 -10.360 -11.557 -3.355 1.00 0.00 C ATOM 1640 O GLU B 58 -11.104 -11.367 -4.296 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.150 -9.054 -3.210 1.00 0.00 C ATOM 1642 CG GLU B 58 -9.778 -9.019 -4.694 1.00 0.00 C ATOM 1643 CD GLU B 58 -11.041 -8.827 -5.534 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -11.843 -7.981 -5.178 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -11.186 -9.534 -6.520 1.00 0.00 O ATOM 0 H GLU B 58 -7.847 -9.693 -3.372 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.011 -10.484 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -11.225 -8.923 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.668 -8.230 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.075 -8.208 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.279 -9.946 -4.976 1.00 0.00 H new