USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00521 X(o=-0.0052,f=-0.3) USER MOD Single : A 8 THR OG1 : rot -164:sc= 0.645 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.58) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 127:sc= -2.17! USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 1 PHE N :NH3+ 174:sc= -0.614! (180deg=-0.894!) USER MOD Single : B 3 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.059) USER MOD Single : B 4 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.3) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -0.867 F(o=-2.2,f=-0.87) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.0418 X(o=0.042,f=-0.38) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -3.08! C(o=-5!,f=-3.1!) USER MOD Single : B 26 TYR OH : rot 180:sc= -3.92! USER MOD Single : B 27 THR OG1 : rot -70:sc= 1.1 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0426 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.414 8.071 6.020 1.00 0.00 N ATOM 2 CA GLY A 1 -2.818 6.735 6.545 1.00 0.00 C ATOM 3 C GLY A 1 -1.591 5.828 6.634 1.00 0.00 C ATOM 4 O GLY A 1 -0.762 5.969 7.512 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.249 8.687 5.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.714 8.498 6.660 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.996 7.960 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.276 6.842 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.567 6.288 5.892 1.00 0.00 H new ATOM 10 N ILE A 2 -1.471 4.899 5.729 1.00 0.00 N ATOM 11 CA ILE A 2 -0.304 3.975 5.746 1.00 0.00 C ATOM 12 C ILE A 2 0.829 4.569 4.908 1.00 0.00 C ATOM 13 O ILE A 2 1.809 3.913 4.616 1.00 0.00 O ATOM 14 CB ILE A 2 -0.740 2.632 5.162 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.276 1.546 5.518 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.856 2.738 3.640 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.254 0.185 5.059 1.00 0.00 C ATOM 0 H ILE A 2 -2.136 4.739 4.973 1.00 0.00 H new ATOM 0 HA ILE A 2 0.052 3.834 6.767 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.710 2.368 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.233 1.756 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.453 1.536 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.167 1.777 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.594 3.498 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.111 3.015 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.469 -0.591 5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.200 -0.024 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.408 0.200 3.980 1.00 0.00 H new ATOM 29 N VAL A 3 0.699 5.807 4.521 1.00 0.00 N ATOM 30 CA VAL A 3 1.762 6.451 3.703 1.00 0.00 C ATOM 31 C VAL A 3 2.897 6.908 4.621 1.00 0.00 C ATOM 32 O VAL A 3 4.058 6.860 4.264 1.00 0.00 O ATOM 33 CB VAL A 3 1.172 7.660 2.974 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.167 8.169 1.931 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.127 7.245 2.278 1.00 0.00 C ATOM 0 H VAL A 3 -0.101 6.402 4.737 1.00 0.00 H new ATOM 0 HA VAL A 3 2.150 5.740 2.973 1.00 0.00 H new ATOM 0 HB VAL A 3 0.967 8.453 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.743 9.030 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.094 8.462 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.374 7.378 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.551 8.103 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.082 6.452 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.838 6.884 3.021 1.00 0.00 H new ATOM 45 N GLU A 4 2.572 7.345 5.807 1.00 0.00 N ATOM 46 CA GLU A 4 3.631 7.800 6.750 1.00 0.00 C ATOM 47 C GLU A 4 4.436 6.593 7.243 1.00 0.00 C ATOM 48 O GLU A 4 5.392 6.732 7.979 1.00 0.00 O ATOM 49 CB GLU A 4 2.978 8.499 7.946 1.00 0.00 C ATOM 50 CG GLU A 4 4.046 9.236 8.757 1.00 0.00 C ATOM 51 CD GLU A 4 3.747 10.735 8.757 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.613 11.093 8.485 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.657 11.501 9.030 1.00 0.00 O ATOM 0 H GLU A 4 1.618 7.406 6.163 1.00 0.00 H new ATOM 0 HA GLU A 4 4.298 8.494 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.221 9.202 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.470 7.767 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.065 8.859 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.032 9.052 8.331 1.00 0.00 H new ATOM 60 N GLN A 5 4.055 5.407 6.846 1.00 0.00 N ATOM 61 CA GLN A 5 4.797 4.195 7.297 1.00 0.00 C ATOM 62 C GLN A 5 5.322 3.426 6.080 1.00 0.00 C ATOM 63 O GLN A 5 6.307 2.719 6.163 1.00 0.00 O ATOM 64 CB GLN A 5 3.852 3.294 8.097 1.00 0.00 C ATOM 65 CG GLN A 5 4.103 3.495 9.593 1.00 0.00 C ATOM 66 CD GLN A 5 2.990 2.814 10.394 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.822 3.037 10.143 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.307 1.990 11.355 1.00 0.00 N ATOM 0 H GLN A 5 3.263 5.226 6.230 1.00 0.00 H new ATOM 0 HA GLN A 5 5.637 4.497 7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.816 3.530 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.012 2.250 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.072 3.078 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.135 4.559 9.827 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.288 1.804 11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.574 1.532 11.897 1.00 0.00 H new ATOM 77 N CYS A 6 4.674 3.553 4.955 1.00 0.00 N ATOM 78 CA CYS A 6 5.138 2.819 3.741 1.00 0.00 C ATOM 79 C CYS A 6 5.832 3.789 2.780 1.00 0.00 C ATOM 80 O CYS A 6 6.901 3.516 2.272 1.00 0.00 O ATOM 81 CB CYS A 6 3.937 2.181 3.042 1.00 0.00 C ATOM 82 SG CYS A 6 3.320 0.803 4.040 1.00 0.00 S ATOM 0 H CYS A 6 3.845 4.132 4.823 1.00 0.00 H new ATOM 0 HA CYS A 6 5.843 2.043 4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.150 2.922 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.225 1.827 2.052 1.00 0.00 H new ATOM 87 N CYS A 7 5.234 4.919 2.518 1.00 0.00 N ATOM 88 CA CYS A 7 5.871 5.890 1.588 1.00 0.00 C ATOM 89 C CYS A 7 7.193 6.374 2.190 1.00 0.00 C ATOM 90 O CYS A 7 8.182 6.526 1.500 1.00 0.00 O ATOM 91 CB CYS A 7 4.929 7.078 1.367 1.00 0.00 C ATOM 92 SG CYS A 7 5.828 8.448 0.592 1.00 0.00 S ATOM 0 H CYS A 7 4.337 5.210 2.906 1.00 0.00 H new ATOM 0 HA CYS A 7 6.068 5.409 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.093 6.777 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.508 7.401 2.319 1.00 0.00 H new ATOM 97 N THR A 8 7.221 6.616 3.473 1.00 0.00 N ATOM 98 CA THR A 8 8.481 7.086 4.115 1.00 0.00 C ATOM 99 C THR A 8 9.431 5.902 4.303 1.00 0.00 C ATOM 100 O THR A 8 10.579 5.945 3.904 1.00 0.00 O ATOM 101 CB THR A 8 8.161 7.704 5.478 1.00 0.00 C ATOM 102 OG1 THR A 8 7.223 6.882 6.160 1.00 0.00 O ATOM 103 CG2 THR A 8 7.567 9.100 5.280 1.00 0.00 C ATOM 0 H THR A 8 6.426 6.508 4.103 1.00 0.00 H new ATOM 0 HA THR A 8 8.954 7.834 3.479 1.00 0.00 H new ATOM 0 HB THR A 8 9.075 7.780 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.826 7.385 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.339 9.540 6.251 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.286 9.730 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.652 9.026 4.692 1.00 0.00 H new ATOM 111 N SER A 9 8.964 4.843 4.906 1.00 0.00 N ATOM 112 CA SER A 9 9.842 3.656 5.117 1.00 0.00 C ATOM 113 C SER A 9 9.285 2.468 4.331 1.00 0.00 C ATOM 114 O SER A 9 8.140 2.463 3.927 1.00 0.00 O ATOM 115 CB SER A 9 9.879 3.308 6.605 1.00 0.00 C ATOM 116 OG SER A 9 11.165 3.620 7.128 1.00 0.00 O ATOM 0 H SER A 9 8.013 4.748 5.262 1.00 0.00 H new ATOM 0 HA SER A 9 10.851 3.882 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.111 3.866 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.662 2.249 6.748 1.00 0.00 H new ATOM 0 HG SER A 9 11.192 3.400 8.083 1.00 0.00 H new ATOM 122 N ILE A 10 10.081 1.459 4.112 1.00 0.00 N ATOM 123 CA ILE A 10 9.588 0.278 3.351 1.00 0.00 C ATOM 124 C ILE A 10 8.863 -0.673 4.306 1.00 0.00 C ATOM 125 O ILE A 10 9.477 -1.441 5.019 1.00 0.00 O ATOM 126 CB ILE A 10 10.773 -0.441 2.705 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.654 0.586 1.987 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.259 -1.466 1.695 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.664 -0.139 1.097 1.00 0.00 C ATOM 0 H ILE A 10 11.050 1.401 4.426 1.00 0.00 H new ATOM 0 HA ILE A 10 8.898 0.604 2.573 1.00 0.00 H new ATOM 0 HB ILE A 10 11.355 -0.951 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.036 1.253 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.176 1.206 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.104 -1.978 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.627 -2.194 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.679 -0.958 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.290 0.593 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.290 -0.787 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.133 -0.740 0.359 1.00 0.00 H new ATOM 141 N CYS A 11 7.558 -0.622 4.326 1.00 0.00 N ATOM 142 CA CYS A 11 6.788 -1.514 5.239 1.00 0.00 C ATOM 143 C CYS A 11 6.752 -2.935 4.667 1.00 0.00 C ATOM 144 O CYS A 11 7.357 -3.223 3.653 1.00 0.00 O ATOM 145 CB CYS A 11 5.359 -0.986 5.381 1.00 0.00 C ATOM 146 SG CYS A 11 4.665 -0.674 3.738 1.00 0.00 S ATOM 0 H CYS A 11 6.992 -0.000 3.749 1.00 0.00 H new ATOM 0 HA CYS A 11 7.271 -1.532 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.744 -1.710 5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.356 -0.068 5.969 1.00 0.00 H new ATOM 151 N SER A 12 6.050 -3.824 5.316 1.00 0.00 N ATOM 152 CA SER A 12 5.973 -5.226 4.820 1.00 0.00 C ATOM 153 C SER A 12 4.636 -5.446 4.106 1.00 0.00 C ATOM 154 O SER A 12 3.799 -4.568 4.049 1.00 0.00 O ATOM 155 CB SER A 12 6.078 -6.186 6.004 1.00 0.00 C ATOM 156 OG SER A 12 5.650 -5.523 7.186 1.00 0.00 O ATOM 0 H SER A 12 5.525 -3.638 6.171 1.00 0.00 H new ATOM 0 HA SER A 12 6.790 -5.410 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.464 -7.069 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.106 -6.530 6.118 1.00 0.00 H new ATOM 0 HG SER A 12 5.715 -6.137 7.947 1.00 0.00 H new ATOM 162 N LEU A 13 4.428 -6.614 3.562 1.00 0.00 N ATOM 163 CA LEU A 13 3.144 -6.888 2.856 1.00 0.00 C ATOM 164 C LEU A 13 2.041 -7.137 3.888 1.00 0.00 C ATOM 165 O LEU A 13 0.868 -7.111 3.575 1.00 0.00 O ATOM 166 CB LEU A 13 3.301 -8.125 1.969 1.00 0.00 C ATOM 167 CG LEU A 13 2.934 -7.773 0.526 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.481 -7.296 0.469 1.00 0.00 C ATOM 169 CD2 LEU A 13 3.855 -6.657 0.024 1.00 0.00 C ATOM 0 H LEU A 13 5.091 -7.389 3.576 1.00 0.00 H new ATOM 0 HA LEU A 13 2.879 -6.031 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.327 -8.490 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.660 -8.929 2.332 1.00 0.00 H new ATOM 0 HG LEU A 13 3.052 -8.655 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.220 -7.045 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.824 -8.088 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.363 -6.414 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.595 -6.405 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.736 -5.776 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.891 -6.995 0.064 1.00 0.00 H new ATOM 181 N TYR A 14 2.410 -7.375 5.118 1.00 0.00 N ATOM 182 CA TYR A 14 1.383 -7.624 6.168 1.00 0.00 C ATOM 183 C TYR A 14 0.714 -6.305 6.554 1.00 0.00 C ATOM 184 O TYR A 14 -0.409 -6.281 7.020 1.00 0.00 O ATOM 185 CB TYR A 14 2.055 -8.235 7.402 1.00 0.00 C ATOM 186 CG TYR A 14 1.082 -8.232 8.555 1.00 0.00 C ATOM 187 CD1 TYR A 14 0.078 -9.205 8.626 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.181 -7.253 9.551 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.828 -9.200 9.694 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.275 -7.248 10.619 1.00 0.00 C ATOM 191 CZ TYR A 14 -0.728 -8.222 10.690 1.00 0.00 C ATOM 192 OH TYR A 14 -1.621 -8.216 11.743 1.00 0.00 O ATOM 0 H TYR A 14 3.377 -7.408 5.440 1.00 0.00 H new ATOM 0 HA TYR A 14 0.630 -8.312 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.378 -9.254 7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.947 -7.666 7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.002 -9.960 7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.955 -6.502 9.496 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.603 -9.950 9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.350 -6.493 11.388 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.411 -7.472 12.346 1.00 0.00 H new ATOM 202 N GLN A 15 1.391 -5.207 6.367 1.00 0.00 N ATOM 203 CA GLN A 15 0.792 -3.892 6.729 1.00 0.00 C ATOM 204 C GLN A 15 -0.317 -3.539 5.735 1.00 0.00 C ATOM 205 O GLN A 15 -1.229 -2.800 6.049 1.00 0.00 O ATOM 206 CB GLN A 15 1.875 -2.813 6.692 1.00 0.00 C ATOM 207 CG GLN A 15 2.803 -2.980 7.896 1.00 0.00 C ATOM 208 CD GLN A 15 2.756 -1.716 8.756 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.705 -1.136 8.947 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.858 -1.259 9.283 1.00 0.00 N ATOM 0 H GLN A 15 2.333 -5.163 5.979 1.00 0.00 H new ATOM 0 HA GLN A 15 0.370 -3.951 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.446 -2.887 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.418 -1.824 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.499 -3.845 8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.823 -3.166 7.559 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.740 -1.746 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.838 -0.415 9.855 1.00 0.00 H new ATOM 219 N LEU A 16 -0.247 -4.052 4.537 1.00 0.00 N ATOM 220 CA LEU A 16 -1.301 -3.734 3.531 1.00 0.00 C ATOM 221 C LEU A 16 -2.471 -4.707 3.674 1.00 0.00 C ATOM 222 O LEU A 16 -3.476 -4.584 3.002 1.00 0.00 O ATOM 223 CB LEU A 16 -0.718 -3.836 2.117 1.00 0.00 C ATOM 224 CG LEU A 16 0.368 -2.769 1.890 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.360 -2.353 0.420 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.104 -1.527 2.753 1.00 0.00 C ATOM 0 H LEU A 16 0.492 -4.676 4.212 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.657 -2.718 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.295 -4.829 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.513 -3.713 1.382 1.00 0.00 H new ATOM 0 HG LEU A 16 1.333 -3.193 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.127 -1.597 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.564 -3.222 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.617 -1.942 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.885 -0.788 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.865 -1.102 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.105 -1.809 3.806 1.00 0.00 H new ATOM 238 N GLU A 17 -2.359 -5.670 4.545 1.00 0.00 N ATOM 239 CA GLU A 17 -3.478 -6.637 4.722 1.00 0.00 C ATOM 240 C GLU A 17 -4.699 -5.894 5.263 1.00 0.00 C ATOM 241 O GLU A 17 -5.818 -6.144 4.863 1.00 0.00 O ATOM 242 CB GLU A 17 -3.059 -7.729 5.706 1.00 0.00 C ATOM 243 CG GLU A 17 -1.988 -8.608 5.058 1.00 0.00 C ATOM 244 CD GLU A 17 -1.869 -9.925 5.826 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.721 -10.181 6.662 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.928 -10.658 5.566 1.00 0.00 O ATOM 0 H GLU A 17 -1.546 -5.829 5.139 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.725 -7.096 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.673 -7.281 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.922 -8.333 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.246 -8.805 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.030 -8.089 5.056 1.00 0.00 H new ATOM 253 N ASN A 18 -4.492 -4.974 6.166 1.00 0.00 N ATOM 254 CA ASN A 18 -5.644 -4.211 6.724 1.00 0.00 C ATOM 255 C ASN A 18 -6.280 -3.374 5.611 1.00 0.00 C ATOM 256 O ASN A 18 -7.380 -2.877 5.744 1.00 0.00 O ATOM 257 CB ASN A 18 -5.156 -3.287 7.843 1.00 0.00 C ATOM 258 CG ASN A 18 -5.473 -3.916 9.201 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.564 -3.760 9.715 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.560 -4.623 9.809 1.00 0.00 N ATOM 0 H ASN A 18 -3.578 -4.719 6.540 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.380 -4.906 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.083 -3.121 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.638 -2.313 7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.761 -5.045 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.645 -4.754 9.378 1.00 0.00 H new ATOM 267 N TYR A 19 -5.595 -3.218 4.508 1.00 0.00 N ATOM 268 CA TYR A 19 -6.159 -2.417 3.384 1.00 0.00 C ATOM 269 C TYR A 19 -7.011 -3.322 2.489 1.00 0.00 C ATOM 270 O TYR A 19 -7.262 -3.016 1.340 1.00 0.00 O ATOM 271 CB TYR A 19 -5.015 -1.815 2.565 1.00 0.00 C ATOM 272 CG TYR A 19 -4.609 -0.492 3.166 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.226 0.694 2.742 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.616 -0.453 4.146 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.848 1.920 3.306 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.238 0.767 4.708 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.853 1.956 4.290 1.00 0.00 C ATOM 278 OH TYR A 19 -3.482 3.164 4.848 1.00 0.00 O ATOM 0 H TYR A 19 -4.669 -3.611 4.338 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.780 -1.615 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.165 -2.497 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.328 -1.676 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.992 0.662 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.140 -1.367 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.323 2.834 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.470 0.796 5.467 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.539 3.105 5.825 1.00 0.00 H new ATOM 288 N CYS A 20 -7.460 -4.435 3.006 1.00 0.00 N ATOM 289 CA CYS A 20 -8.296 -5.357 2.188 1.00 0.00 C ATOM 290 C CYS A 20 -9.664 -5.526 2.851 1.00 0.00 C ATOM 291 O CYS A 20 -9.790 -5.454 4.058 1.00 0.00 O ATOM 292 CB CYS A 20 -7.607 -6.720 2.088 1.00 0.00 C ATOM 293 SG CYS A 20 -6.103 -6.566 1.093 1.00 0.00 S ATOM 0 H CYS A 20 -7.283 -4.745 3.962 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.424 -4.941 1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.361 -7.089 3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.281 -7.448 1.637 1.00 0.00 H new ATOM 298 N ASN A 21 -10.687 -5.750 2.075 1.00 0.00 N ATOM 299 CA ASN A 21 -12.045 -5.923 2.664 1.00 0.00 C ATOM 300 C ASN A 21 -12.185 -7.342 3.217 1.00 0.00 C ATOM 301 O ASN A 21 -12.149 -8.270 2.426 1.00 0.00 O ATOM 302 CB ASN A 21 -13.103 -5.688 1.585 1.00 0.00 C ATOM 303 CG ASN A 21 -14.366 -5.110 2.226 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.014 -5.766 3.015 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.742 -3.899 1.917 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.327 -7.477 4.422 1.00 0.00 O ATOM 0 H ASN A 21 -10.642 -5.821 1.058 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.185 -5.204 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.720 -5.003 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.335 -6.625 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.582 -3.502 2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.196 -3.349 1.254 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 6.306 -7.501 -4.847 1.00 0.00 N ATOM 315 CA PHE B 1 6.608 -7.157 -3.428 1.00 0.00 C ATOM 316 C PHE B 1 8.103 -6.871 -3.280 1.00 0.00 C ATOM 317 O PHE B 1 8.769 -7.421 -2.424 1.00 0.00 O ATOM 318 CB PHE B 1 6.219 -8.330 -2.524 1.00 0.00 C ATOM 319 CG PHE B 1 7.198 -9.465 -2.715 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.357 -10.049 -3.979 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.950 -9.932 -1.630 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.263 -11.100 -4.157 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.857 -10.985 -1.808 1.00 0.00 C ATOM 324 CZ PHE B 1 9.014 -11.568 -3.071 1.00 0.00 C ATOM 0 H1 PHE B 1 5.311 -7.794 -4.929 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.473 -6.669 -5.449 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.923 -8.280 -5.154 1.00 0.00 H new ATOM 0 HA PHE B 1 6.039 -6.273 -3.139 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.214 -8.012 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.209 -8.664 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.779 -9.687 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.831 -9.481 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.383 -11.550 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.435 -11.347 -0.971 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.714 -12.379 -3.208 1.00 0.00 H new ATOM 336 N VAL B 2 8.637 -6.016 -4.106 1.00 0.00 N ATOM 337 CA VAL B 2 10.090 -5.697 -4.012 1.00 0.00 C ATOM 338 C VAL B 2 10.305 -4.609 -2.955 1.00 0.00 C ATOM 339 O VAL B 2 9.440 -3.795 -2.704 1.00 0.00 O ATOM 340 CB VAL B 2 10.592 -5.199 -5.368 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.118 -5.301 -5.419 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.990 -6.061 -6.481 1.00 0.00 C ATOM 0 H VAL B 2 8.131 -5.524 -4.842 1.00 0.00 H new ATOM 0 HA VAL B 2 10.642 -6.593 -3.729 1.00 0.00 H new ATOM 0 HB VAL B 2 10.292 -4.160 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.474 -4.946 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.550 -4.690 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.418 -6.340 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.347 -5.707 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.291 -7.099 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.903 -5.991 -6.448 1.00 0.00 H new ATOM 352 N ASN B 3 11.452 -4.592 -2.333 1.00 0.00 N ATOM 353 CA ASN B 3 11.721 -3.558 -1.293 1.00 0.00 C ATOM 354 C ASN B 3 11.690 -2.171 -1.932 1.00 0.00 C ATOM 355 O ASN B 3 12.701 -1.654 -2.365 1.00 0.00 O ATOM 356 CB ASN B 3 13.097 -3.801 -0.671 1.00 0.00 C ATOM 357 CG ASN B 3 13.193 -5.250 -0.190 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.377 -5.699 0.591 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.163 -6.006 -0.628 1.00 0.00 N ATOM 0 H ASN B 3 12.214 -5.249 -2.500 1.00 0.00 H new ATOM 0 HA ASN B 3 10.957 -3.619 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.879 -3.597 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.256 -3.119 0.164 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.236 -6.974 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.847 -5.629 -1.283 1.00 0.00 H new ATOM 366 N GLN B 4 10.539 -1.563 -1.993 1.00 0.00 N ATOM 367 CA GLN B 4 10.445 -0.208 -2.605 1.00 0.00 C ATOM 368 C GLN B 4 9.523 0.666 -1.754 1.00 0.00 C ATOM 369 O GLN B 4 8.641 0.178 -1.078 1.00 0.00 O ATOM 370 CB GLN B 4 9.876 -0.325 -4.020 1.00 0.00 C ATOM 371 CG GLN B 4 10.518 -1.518 -4.731 1.00 0.00 C ATOM 372 CD GLN B 4 11.910 -1.127 -5.232 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.882 -1.800 -4.952 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.048 -0.055 -5.965 1.00 0.00 N ATOM 0 H GLN B 4 9.659 -1.945 -1.646 1.00 0.00 H new ATOM 0 HA GLN B 4 11.436 0.243 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.794 -0.452 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.069 0.591 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.590 -2.365 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.895 -1.835 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.232 0.510 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.971 0.217 -6.302 1.00 0.00 H new ATOM 383 N HIS B 5 9.720 1.955 -1.778 1.00 0.00 N ATOM 384 CA HIS B 5 8.853 2.854 -0.966 1.00 0.00 C ATOM 385 C HIS B 5 7.523 3.072 -1.690 1.00 0.00 C ATOM 386 O HIS B 5 7.481 3.269 -2.889 1.00 0.00 O ATOM 387 CB HIS B 5 9.558 4.193 -0.762 1.00 0.00 C ATOM 388 CG HIS B 5 10.703 4.005 0.195 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.874 4.373 1.506 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 11.864 3.342 -0.167 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.123 3.947 1.952 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 12.677 3.332 0.906 1.00 0.00 N flip ATOM 0 H HIS B 5 10.443 2.424 -2.324 1.00 0.00 H new ATOM 0 HA HIS B 5 8.662 2.397 0.005 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.923 4.575 -1.715 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.858 4.931 -0.370 1.00 0.00 H new ATOM 0 HD1 HIS B 5 10.191 4.881 2.068 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.078 2.911 -1.134 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.551 4.085 2.934 1.00 0.00 H new ATOM 400 N LEU B 6 6.438 3.032 -0.970 1.00 0.00 N ATOM 401 CA LEU B 6 5.109 3.228 -1.609 1.00 0.00 C ATOM 402 C LEU B 6 4.644 4.671 -1.407 1.00 0.00 C ATOM 403 O LEU B 6 4.067 5.011 -0.395 1.00 0.00 O ATOM 404 CB LEU B 6 4.100 2.269 -0.975 1.00 0.00 C ATOM 405 CG LEU B 6 4.633 0.837 -1.065 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.586 -0.132 -0.515 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.927 0.493 -2.526 1.00 0.00 C ATOM 0 H LEU B 6 6.415 2.871 0.037 1.00 0.00 H new ATOM 0 HA LEU B 6 5.186 3.026 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.929 2.540 0.067 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.140 2.344 -1.486 1.00 0.00 H new ATOM 0 HG LEU B 6 5.549 0.753 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.965 -1.152 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.375 0.112 0.526 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.670 -0.048 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.307 -0.527 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.011 0.577 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.673 1.183 -2.919 1.00 0.00 H new ATOM 419 N CYS B 7 4.894 5.521 -2.366 1.00 0.00 N ATOM 420 CA CYS B 7 4.470 6.945 -2.235 1.00 0.00 C ATOM 421 C CYS B 7 3.465 7.284 -3.338 1.00 0.00 C ATOM 422 O CYS B 7 3.654 6.943 -4.490 1.00 0.00 O ATOM 423 CB CYS B 7 5.695 7.853 -2.367 1.00 0.00 C ATOM 424 SG CYS B 7 6.798 7.590 -0.956 1.00 0.00 S ATOM 0 H CYS B 7 5.374 5.291 -3.236 1.00 0.00 H new ATOM 0 HA CYS B 7 4.004 7.097 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.221 7.639 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.384 8.897 -2.409 1.00 0.00 H new ATOM 429 N GLY B 8 2.398 7.953 -2.997 1.00 0.00 N ATOM 430 CA GLY B 8 1.382 8.317 -4.026 1.00 0.00 C ATOM 431 C GLY B 8 0.557 7.083 -4.395 1.00 0.00 C ATOM 432 O GLY B 8 0.334 6.208 -3.583 1.00 0.00 O ATOM 0 H GLY B 8 2.185 8.264 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.729 9.102 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.875 8.715 -4.913 1.00 0.00 H new ATOM 436 N SER B 9 0.100 7.008 -5.616 1.00 0.00 N ATOM 437 CA SER B 9 -0.710 5.831 -6.036 1.00 0.00 C ATOM 438 C SER B 9 0.148 4.567 -5.963 1.00 0.00 C ATOM 439 O SER B 9 -0.348 3.462 -6.048 1.00 0.00 O ATOM 440 CB SER B 9 -1.200 6.032 -7.471 1.00 0.00 C ATOM 441 OG SER B 9 -2.217 7.024 -7.483 1.00 0.00 O ATOM 0 H SER B 9 0.253 7.711 -6.339 1.00 0.00 H new ATOM 0 HA SER B 9 -1.567 5.727 -5.371 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.372 6.335 -8.112 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.585 5.094 -7.871 1.00 0.00 H new ATOM 0 HG SER B 9 -2.533 7.157 -8.401 1.00 0.00 H new ATOM 447 N HIS B 10 1.434 4.721 -5.803 1.00 0.00 N ATOM 448 CA HIS B 10 2.319 3.527 -5.723 1.00 0.00 C ATOM 449 C HIS B 10 1.792 2.580 -4.646 1.00 0.00 C ATOM 450 O HIS B 10 1.687 1.387 -4.849 1.00 0.00 O ATOM 451 CB HIS B 10 3.740 3.967 -5.368 1.00 0.00 C ATOM 452 CG HIS B 10 4.438 4.450 -6.610 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.245 5.724 -7.118 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.327 3.838 -7.459 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.002 5.839 -8.224 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.682 4.717 -8.477 1.00 0.00 N ATOM 0 H HIS B 10 1.908 5.621 -5.724 1.00 0.00 H new ATOM 0 HA HIS B 10 2.330 3.015 -6.685 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.711 4.761 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.291 3.136 -4.928 1.00 0.00 H new ATOM 0 HD1 HIS B 10 3.639 6.444 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.695 2.828 -7.353 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.054 6.729 -8.833 1.00 0.00 H new ATOM 464 N LEU B 11 1.450 3.100 -3.498 1.00 0.00 N ATOM 465 CA LEU B 11 0.922 2.228 -2.414 1.00 0.00 C ATOM 466 C LEU B 11 -0.348 1.538 -2.902 1.00 0.00 C ATOM 467 O LEU B 11 -0.645 0.421 -2.524 1.00 0.00 O ATOM 468 CB LEU B 11 0.603 3.073 -1.181 1.00 0.00 C ATOM 469 CG LEU B 11 0.939 2.276 0.078 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.534 3.213 1.132 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.338 1.629 0.625 1.00 0.00 C ATOM 0 H LEU B 11 1.514 4.091 -3.266 1.00 0.00 H new ATOM 0 HA LEU B 11 1.670 1.480 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.177 4.000 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.451 3.351 -1.179 1.00 0.00 H new ATOM 0 HG LEU B 11 1.664 1.499 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.774 2.644 2.030 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.442 3.672 0.740 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.811 3.991 1.377 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.101 1.059 1.524 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.064 2.405 0.868 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.759 0.962 -0.127 1.00 0.00 H new ATOM 483 N VAL B 12 -1.101 2.188 -3.747 1.00 0.00 N ATOM 484 CA VAL B 12 -2.343 1.555 -4.263 1.00 0.00 C ATOM 485 C VAL B 12 -1.959 0.333 -5.099 1.00 0.00 C ATOM 486 O VAL B 12 -2.689 -0.636 -5.177 1.00 0.00 O ATOM 487 CB VAL B 12 -3.111 2.555 -5.131 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.203 1.817 -5.910 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.753 3.617 -4.237 1.00 0.00 C ATOM 0 H VAL B 12 -0.909 3.126 -4.100 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.978 1.251 -3.431 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.425 3.034 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.751 2.527 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.747 1.058 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.889 1.340 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.300 4.330 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.440 3.138 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.977 4.141 -3.679 1.00 0.00 H new ATOM 499 N GLU B 13 -0.811 0.375 -5.724 1.00 0.00 N ATOM 500 CA GLU B 13 -0.365 -0.780 -6.551 1.00 0.00 C ATOM 501 C GLU B 13 -0.012 -1.949 -5.631 1.00 0.00 C ATOM 502 O GLU B 13 0.041 -3.089 -6.052 1.00 0.00 O ATOM 503 CB GLU B 13 0.868 -0.380 -7.367 1.00 0.00 C ATOM 504 CG GLU B 13 0.429 0.439 -8.582 1.00 0.00 C ATOM 505 CD GLU B 13 0.474 -0.441 -9.834 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.252 -1.633 -9.702 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.729 0.093 -10.900 1.00 0.00 O ATOM 0 H GLU B 13 -0.163 1.162 -5.696 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.165 -1.076 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.553 0.202 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.408 -1.270 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.580 0.823 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.083 1.302 -8.708 1.00 0.00 H new ATOM 514 N ALA B 14 0.219 -1.679 -4.376 1.00 0.00 N ATOM 515 CA ALA B 14 0.555 -2.777 -3.428 1.00 0.00 C ATOM 516 C ALA B 14 -0.697 -3.146 -2.631 1.00 0.00 C ATOM 517 O ALA B 14 -0.792 -4.215 -2.060 1.00 0.00 O ATOM 518 CB ALA B 14 1.653 -2.310 -2.468 1.00 0.00 C ATOM 0 H ALA B 14 0.190 -0.745 -3.966 1.00 0.00 H new ATOM 0 HA ALA B 14 0.910 -3.646 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.897 -3.115 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.542 -2.039 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.302 -1.443 -1.908 1.00 0.00 H new ATOM 524 N LEU B 15 -1.659 -2.265 -2.590 1.00 0.00 N ATOM 525 CA LEU B 15 -2.909 -2.556 -1.835 1.00 0.00 C ATOM 526 C LEU B 15 -3.778 -3.530 -2.635 1.00 0.00 C ATOM 527 O LEU B 15 -4.222 -4.541 -2.128 1.00 0.00 O ATOM 528 CB LEU B 15 -3.677 -1.254 -1.610 1.00 0.00 C ATOM 529 CG LEU B 15 -2.929 -0.397 -0.589 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.706 0.896 -0.339 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.797 -1.174 0.722 1.00 0.00 C ATOM 0 H LEU B 15 -1.632 -1.354 -3.048 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.658 -3.004 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.781 -0.712 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.684 -1.469 -1.253 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.938 -0.154 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.172 1.506 0.389 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.804 1.448 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.697 0.656 0.046 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.264 -0.566 1.453 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.789 -1.414 1.104 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.244 -2.096 0.544 1.00 0.00 H new ATOM 543 N HIS B 16 -4.022 -3.236 -3.882 1.00 0.00 N ATOM 544 CA HIS B 16 -4.862 -4.144 -4.711 1.00 0.00 C ATOM 545 C HIS B 16 -4.188 -5.518 -4.791 1.00 0.00 C ATOM 546 O HIS B 16 -4.834 -6.532 -4.968 1.00 0.00 O ATOM 547 CB HIS B 16 -5.017 -3.549 -6.119 1.00 0.00 C ATOM 548 CG HIS B 16 -3.789 -3.836 -6.939 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.473 -3.506 -6.754 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.837 -4.555 -8.121 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.710 -4.010 -7.803 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.582 -4.634 -8.598 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.676 -2.406 -4.363 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.849 -4.254 -4.261 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.896 -3.971 -6.606 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.176 -2.473 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.721 -4.976 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.643 -3.917 -7.943 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.327 -5.113 -9.462 1.00 0.00 H new ATOM 560 N LEU B 17 -2.890 -5.551 -4.666 1.00 0.00 N ATOM 561 CA LEU B 17 -2.162 -6.847 -4.734 1.00 0.00 C ATOM 562 C LEU B 17 -2.399 -7.637 -3.445 1.00 0.00 C ATOM 563 O LEU B 17 -2.452 -8.851 -3.450 1.00 0.00 O ATOM 564 CB LEU B 17 -0.666 -6.571 -4.897 1.00 0.00 C ATOM 565 CG LEU B 17 0.096 -7.891 -5.009 1.00 0.00 C ATOM 566 CD1 LEU B 17 -0.351 -8.634 -6.270 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.596 -7.601 -5.095 1.00 0.00 C ATOM 0 H LEU B 17 -2.301 -4.732 -4.519 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.524 -7.428 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.494 -5.965 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.298 -5.999 -4.045 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.110 -8.507 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.193 -9.575 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.421 -8.836 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.144 -8.020 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.144 -8.540 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.798 -6.987 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.916 -7.069 -4.199 1.00 0.00 H new ATOM 579 N VAL B 18 -2.544 -6.958 -2.340 1.00 0.00 N ATOM 580 CA VAL B 18 -2.779 -7.670 -1.052 1.00 0.00 C ATOM 581 C VAL B 18 -4.225 -8.166 -1.004 1.00 0.00 C ATOM 582 O VAL B 18 -4.538 -9.127 -0.331 1.00 0.00 O ATOM 583 CB VAL B 18 -2.531 -6.712 0.115 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.418 -7.509 1.415 1.00 0.00 C ATOM 585 CG2 VAL B 18 -1.229 -5.944 -0.123 1.00 0.00 C ATOM 0 H VAL B 18 -2.510 -5.941 -2.273 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.098 -8.518 -0.976 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.361 -6.009 0.189 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.241 -6.826 2.246 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.344 -8.058 1.587 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.588 -8.212 1.340 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -1.052 -5.261 0.708 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.400 -6.648 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.306 -5.375 -1.050 1.00 0.00 H new ATOM 595 N CYS B 19 -5.109 -7.514 -1.708 1.00 0.00 N ATOM 596 CA CYS B 19 -6.534 -7.943 -1.699 1.00 0.00 C ATOM 597 C CYS B 19 -6.846 -8.714 -2.983 1.00 0.00 C ATOM 598 O CYS B 19 -7.081 -9.905 -2.962 1.00 0.00 O ATOM 599 CB CYS B 19 -7.426 -6.704 -1.624 1.00 0.00 C ATOM 600 SG CYS B 19 -6.679 -5.487 -0.512 1.00 0.00 S ATOM 0 H CYS B 19 -4.905 -6.701 -2.290 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.718 -8.586 -0.838 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.553 -6.274 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.418 -6.979 -1.266 1.00 0.00 H new ATOM 605 N GLY B 20 -6.852 -8.039 -4.099 1.00 0.00 N ATOM 606 CA GLY B 20 -7.153 -8.726 -5.387 1.00 0.00 C ATOM 607 C GLY B 20 -8.487 -8.214 -5.932 1.00 0.00 C ATOM 608 O GLY B 20 -8.797 -7.042 -5.838 1.00 0.00 O ATOM 0 H GLY B 20 -6.661 -7.040 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.357 -8.539 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.199 -9.804 -5.235 1.00 0.00 H new ATOM 612 N GLU B 21 -9.281 -9.079 -6.498 1.00 0.00 N ATOM 613 CA GLU B 21 -10.594 -8.635 -7.044 1.00 0.00 C ATOM 614 C GLU B 21 -11.435 -8.034 -5.915 1.00 0.00 C ATOM 615 O GLU B 21 -12.296 -7.209 -6.140 1.00 0.00 O ATOM 616 CB GLU B 21 -11.330 -9.833 -7.646 1.00 0.00 C ATOM 617 CG GLU B 21 -11.062 -9.891 -9.152 1.00 0.00 C ATOM 618 CD GLU B 21 -12.276 -9.348 -9.908 1.00 0.00 C ATOM 619 OE1 GLU B 21 -13.206 -8.906 -9.254 1.00 0.00 O ATOM 620 OE2 GLU B 21 -12.254 -9.383 -11.127 1.00 0.00 O ATOM 0 H GLU B 21 -9.078 -10.073 -6.606 1.00 0.00 H new ATOM 0 HA GLU B 21 -10.431 -7.885 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -10.996 -10.755 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.400 -9.747 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.176 -9.305 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.860 -10.918 -9.457 1.00 0.00 H new ATOM 627 N ARG B 22 -11.189 -8.443 -4.701 1.00 0.00 N ATOM 628 CA ARG B 22 -11.973 -7.895 -3.559 1.00 0.00 C ATOM 629 C ARG B 22 -11.877 -6.368 -3.561 1.00 0.00 C ATOM 630 O ARG B 22 -12.870 -5.674 -3.474 1.00 0.00 O ATOM 631 CB ARG B 22 -11.408 -8.440 -2.246 1.00 0.00 C ATOM 632 CG ARG B 22 -11.676 -9.944 -2.164 1.00 0.00 C ATOM 633 CD ARG B 22 -13.172 -10.185 -1.955 1.00 0.00 C ATOM 634 NE ARG B 22 -13.366 -11.324 -1.015 1.00 0.00 N ATOM 635 CZ ARG B 22 -14.528 -11.516 -0.450 1.00 0.00 C ATOM 636 NH1 ARG B 22 -15.525 -10.711 -0.707 1.00 0.00 N ATOM 637 NH2 ARG B 22 -14.694 -12.515 0.373 1.00 0.00 N ATOM 0 H ARG B 22 -10.480 -9.132 -4.451 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.017 -8.193 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.337 -8.247 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.869 -7.931 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.342 -10.434 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.108 -10.381 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.644 -9.287 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.653 -10.401 -2.909 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.591 -11.955 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.397 -9.930 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -16.431 -10.864 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.917 -13.144 0.574 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -15.601 -12.666 0.815 1.00 0.00 H new ATOM 651 N GLY B 23 -10.688 -5.841 -3.664 1.00 0.00 N ATOM 652 CA GLY B 23 -10.530 -4.360 -3.675 1.00 0.00 C ATOM 653 C GLY B 23 -9.900 -3.900 -2.359 1.00 0.00 C ATOM 654 O GLY B 23 -9.516 -4.699 -1.529 1.00 0.00 O ATOM 0 H GLY B 23 -9.820 -6.371 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.904 -4.057 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.500 -3.882 -3.812 1.00 0.00 H new ATOM 658 N PHE B 24 -9.793 -2.614 -2.162 1.00 0.00 N ATOM 659 CA PHE B 24 -9.188 -2.098 -0.903 1.00 0.00 C ATOM 660 C PHE B 24 -9.669 -0.669 -0.656 1.00 0.00 C ATOM 661 O PHE B 24 -10.229 -0.034 -1.528 1.00 0.00 O ATOM 662 CB PHE B 24 -7.664 -2.104 -1.031 1.00 0.00 C ATOM 663 CG PHE B 24 -7.269 -1.482 -2.346 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.290 -2.255 -3.510 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.886 -0.138 -2.401 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.928 -1.684 -4.735 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.523 0.435 -3.626 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.544 -0.338 -4.793 1.00 0.00 C ATOM 0 H PHE B 24 -10.099 -1.898 -2.821 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.487 -2.733 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.217 -1.550 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.287 -3.125 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.586 -3.293 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.870 0.457 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.945 -2.280 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.227 1.473 -3.671 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.264 0.103 -5.738 1.00 0.00 H new ATOM 678 N PHE B 25 -9.455 -0.154 0.523 1.00 0.00 N ATOM 679 CA PHE B 25 -9.900 1.236 0.817 1.00 0.00 C ATOM 680 C PHE B 25 -8.681 2.095 1.158 1.00 0.00 C ATOM 681 O PHE B 25 -8.380 2.339 2.309 1.00 0.00 O ATOM 682 CB PHE B 25 -10.875 1.230 1.999 1.00 0.00 C ATOM 683 CG PHE B 25 -10.230 0.571 3.193 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.123 -0.823 3.250 1.00 0.00 C ATOM 685 CD2 PHE B 25 -9.740 1.354 4.245 1.00 0.00 C ATOM 686 CE1 PHE B 25 -9.525 -1.435 4.359 1.00 0.00 C ATOM 687 CE2 PHE B 25 -9.145 0.743 5.354 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.035 -0.651 5.411 1.00 0.00 C ATOM 0 H PHE B 25 -8.992 -0.635 1.294 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.404 1.648 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.164 2.251 2.248 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.787 0.698 1.727 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.502 -1.427 2.439 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.821 2.430 4.200 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.442 -2.511 4.403 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.770 1.348 6.167 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.572 -1.122 6.266 1.00 0.00 H new ATOM 698 N TYR B 26 -7.980 2.561 0.163 1.00 0.00 N ATOM 699 CA TYR B 26 -6.786 3.409 0.427 1.00 0.00 C ATOM 700 C TYR B 26 -7.253 4.753 0.985 1.00 0.00 C ATOM 701 O TYR B 26 -8.409 5.108 0.874 1.00 0.00 O ATOM 702 CB TYR B 26 -6.025 3.622 -0.884 1.00 0.00 C ATOM 703 CG TYR B 26 -4.645 4.174 -0.609 1.00 0.00 C ATOM 704 CD1 TYR B 26 -3.901 3.718 0.488 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.104 5.140 -1.465 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.620 4.229 0.726 1.00 0.00 C ATOM 707 CE2 TYR B 26 -2.824 5.652 -1.225 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.081 5.196 -0.131 1.00 0.00 C ATOM 709 OH TYR B 26 -0.819 5.701 0.104 1.00 0.00 O ATOM 0 H TYR B 26 -8.183 2.391 -0.822 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.127 2.925 1.148 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.945 2.678 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.577 4.309 -1.525 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.316 2.972 1.150 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.675 5.491 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.047 3.877 1.571 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.409 6.400 -1.885 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.597 6.362 -0.585 1.00 0.00 H new ATOM 719 N THR B 27 -6.375 5.505 1.588 1.00 0.00 N ATOM 720 CA THR B 27 -6.803 6.816 2.148 1.00 0.00 C ATOM 721 C THR B 27 -5.889 7.934 1.635 1.00 0.00 C ATOM 722 O THR B 27 -5.281 8.641 2.415 1.00 0.00 O ATOM 723 CB THR B 27 -6.741 6.762 3.676 1.00 0.00 C ATOM 724 OG1 THR B 27 -6.845 8.080 4.197 1.00 0.00 O ATOM 725 CG2 THR B 27 -5.417 6.139 4.118 1.00 0.00 C ATOM 0 H THR B 27 -5.390 5.272 1.716 1.00 0.00 H new ATOM 0 HA THR B 27 -7.825 7.022 1.830 1.00 0.00 H new ATOM 0 HB THR B 27 -7.565 6.154 4.051 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.029 8.580 3.988 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.377 6.103 5.207 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.339 5.128 3.718 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.589 6.741 3.745 1.00 0.00 H new ATOM 733 N PRO B 28 -5.828 8.064 0.335 1.00 0.00 N ATOM 734 CA PRO B 28 -5.006 9.095 -0.343 1.00 0.00 C ATOM 735 C PRO B 28 -5.500 10.494 0.031 1.00 0.00 C ATOM 736 O PRO B 28 -6.298 10.664 0.931 1.00 0.00 O ATOM 737 CB PRO B 28 -5.193 8.858 -1.846 1.00 0.00 C ATOM 738 CG PRO B 28 -6.237 7.737 -2.013 1.00 0.00 C ATOM 739 CD PRO B 28 -6.566 7.202 -0.615 1.00 0.00 C ATOM 0 HA PRO B 28 -3.958 9.027 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.528 9.770 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.248 8.574 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.135 8.119 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.846 6.940 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.639 7.241 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.262 6.160 -0.514 1.00 0.00 H new ATOM 747 N LYS B 29 -5.034 11.497 -0.660 1.00 0.00 N ATOM 748 CA LYS B 29 -5.478 12.888 -0.352 1.00 0.00 C ATOM 749 C LYS B 29 -5.421 13.739 -1.619 1.00 0.00 C ATOM 750 O LYS B 29 -6.270 14.574 -1.861 1.00 0.00 O ATOM 751 CB LYS B 29 -4.565 13.496 0.715 1.00 0.00 C ATOM 752 CG LYS B 29 -4.916 14.974 0.905 1.00 0.00 C ATOM 753 CD LYS B 29 -6.368 15.100 1.368 1.00 0.00 C ATOM 754 CE LYS B 29 -6.584 16.476 2.001 1.00 0.00 C ATOM 755 NZ LYS B 29 -6.775 17.492 0.927 1.00 0.00 N ATOM 0 H LYS B 29 -4.365 11.415 -1.425 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.502 12.863 0.020 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.681 12.960 1.657 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -3.522 13.394 0.417 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -4.249 15.425 1.639 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.773 15.515 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.043 14.967 0.523 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.600 14.316 2.089 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.456 16.454 2.655 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.727 16.742 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -6.922 18.428 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.931 17.518 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.606 17.240 0.354 1.00 0.00 H new ATOM 769 N THR B 30 -4.426 13.530 -2.422 1.00 0.00 N ATOM 770 CA THR B 30 -4.297 14.316 -3.681 1.00 0.00 C ATOM 771 C THR B 30 -4.753 13.460 -4.866 1.00 0.00 C ATOM 772 O THR B 30 -5.127 14.033 -5.876 1.00 0.00 O ATOM 773 CB THR B 30 -2.834 14.723 -3.880 1.00 0.00 C ATOM 774 OG1 THR B 30 -1.987 13.708 -3.355 1.00 0.00 O ATOM 775 CG2 THR B 30 -2.564 16.040 -3.153 1.00 0.00 C ATOM 776 OXT THR B 30 -4.722 12.248 -4.741 1.00 0.00 O ATOM 0 H THR B 30 -3.688 12.844 -2.264 1.00 0.00 H new ATOM 0 HA THR B 30 -4.918 15.209 -3.617 1.00 0.00 H new ATOM 0 HB THR B 30 -2.634 14.851 -4.944 1.00 0.00 H new ATOM 0 HG1 THR B 30 -1.050 13.965 -3.483 1.00 0.00 H new ATOM 0 HG21 THR B 30 -1.522 16.328 -3.296 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.214 16.817 -3.555 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.763 15.916 -2.089 1.00 0.00 H new TER 784 THR B 30