USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 NoAdj-H: B 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -0.391 K(o=-0.42,f=-1) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0556 K(o=-0.42,f=-1.1) USER MOD Set 1.3: A 19 TYR OH : rot 152:sc= 0.0296 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.172 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 21 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.3!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.35 K(o=0.35,f=-3.4!) USER MOD Single : B 4 GLN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.107 X(o=-0.11,f=-0.52) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00743 USER MOD Single : B 10 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.19) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 40:sc= 0.506 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.731 1.386 0.218 1.00 25.00 N ATOM 2 CA GLY A 1 3.328 0.196 -0.461 1.00 25.00 C ATOM 3 C GLY A 1 2.389 -0.535 -1.413 1.00 25.00 C ATOM 4 O GLY A 1 1.698 -1.475 -1.092 1.00 25.00 O ATOM 0 H1 GLY A 1 3.439 1.820 0.845 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.430 2.079 -0.497 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.908 1.089 0.779 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.209 0.517 -1.017 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.669 -0.506 0.300 1.00 25.00 H new ATOM 9 N ILE A 2 2.391 -0.082 -2.675 1.00 25.00 N ATOM 10 CA ILE A 2 1.489 -0.598 -3.711 1.00 25.00 C ATOM 11 C ILE A 2 1.539 -2.130 -3.849 1.00 25.00 C ATOM 12 O ILE A 2 0.518 -2.756 -4.084 1.00 25.00 O ATOM 13 CB ILE A 2 1.783 0.095 -5.092 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.748 -0.313 -6.162 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.217 -0.247 -5.609 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.669 0.208 -5.929 1.00 25.00 C ATOM 0 H ILE A 2 3.018 0.652 -3.005 1.00 25.00 H new ATOM 0 HA ILE A 2 0.476 -0.351 -3.393 1.00 25.00 H new ATOM 0 HB ILE A 2 1.713 1.169 -4.922 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.093 0.043 -7.133 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.714 -1.401 -6.215 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.387 0.248 -6.565 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.956 0.097 -4.886 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.310 -1.325 -5.737 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.319 -0.133 -6.735 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.043 -0.168 -4.977 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.657 1.298 -5.909 1.00 25.00 H new ATOM 28 N VAL A 3 2.686 -2.747 -3.656 1.00 25.00 N ATOM 29 CA VAL A 3 2.788 -4.199 -3.785 1.00 25.00 C ATOM 30 C VAL A 3 1.975 -4.861 -2.668 1.00 25.00 C ATOM 31 O VAL A 3 1.174 -5.770 -2.911 1.00 25.00 O ATOM 32 CB VAL A 3 4.271 -4.636 -3.720 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.412 -6.157 -3.634 1.00 25.00 C ATOM 34 CG2 VAL A 3 5.021 -4.122 -4.950 1.00 25.00 C ATOM 0 H VAL A 3 3.558 -2.277 -3.411 1.00 25.00 H new ATOM 0 HA VAL A 3 2.387 -4.512 -4.749 1.00 25.00 H new ATOM 0 HB VAL A 3 4.701 -4.206 -2.816 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.468 -6.423 -3.590 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.909 -6.519 -2.737 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.959 -6.615 -4.513 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.064 -4.434 -4.897 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.565 -4.532 -5.851 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.969 -3.034 -4.980 1.00 25.00 H new ATOM 44 N GLU A 4 2.152 -4.376 -1.455 1.00 25.00 N ATOM 45 CA GLU A 4 1.518 -4.965 -0.279 1.00 25.00 C ATOM 46 C GLU A 4 0.037 -4.625 -0.191 1.00 25.00 C ATOM 47 O GLU A 4 -0.694 -5.271 0.541 1.00 25.00 O ATOM 48 CB GLU A 4 2.242 -4.501 0.979 1.00 25.00 C ATOM 49 CG GLU A 4 3.665 -5.022 1.055 1.00 25.00 C ATOM 50 CD GLU A 4 4.449 -4.419 2.186 1.00 25.00 C ATOM 51 OE1 GLU A 4 5.224 -3.512 2.044 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.215 -4.973 3.327 1.00 25.00 O ATOM 0 H GLU A 4 2.736 -3.565 -1.251 1.00 25.00 H new ATOM 0 HA GLU A 4 1.592 -6.049 -0.370 1.00 25.00 H new ATOM 0 HB2 GLU A 4 2.255 -3.411 1.006 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.689 -4.835 1.857 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.644 -6.106 1.171 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.174 -4.812 0.114 1.00 25.00 H new ATOM 60 N GLN A 5 -0.416 -3.654 -0.967 1.00 25.00 N ATOM 61 CA GLN A 5 -1.848 -3.296 -1.009 1.00 25.00 C ATOM 62 C GLN A 5 -2.551 -3.928 -2.223 1.00 25.00 C ATOM 63 O GLN A 5 -3.694 -4.309 -2.149 1.00 25.00 O ATOM 64 CB GLN A 5 -1.982 -1.767 -1.062 1.00 25.00 C ATOM 65 CG GLN A 5 -3.372 -1.226 -0.667 1.00 25.00 C ATOM 66 CD GLN A 5 -4.412 -1.355 -1.767 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.212 -0.926 -2.901 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.541 -1.928 -1.429 1.00 25.00 N ATOM 0 H GLN A 5 0.176 -3.093 -1.580 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.329 -3.683 -0.111 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.235 -1.328 -0.401 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.750 -1.431 -2.073 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.722 -1.760 0.217 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.278 -0.176 -0.389 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.673 -2.273 -0.478 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -6.288 -2.029 -2.117 1.00 25.00 H new ATOM 77 N CYS A 6 -1.865 -4.001 -3.361 1.00 25.00 N ATOM 78 CA CYS A 6 -2.506 -4.395 -4.617 1.00 25.00 C ATOM 79 C CYS A 6 -2.118 -5.774 -5.156 1.00 25.00 C ATOM 80 O CYS A 6 -2.935 -6.455 -5.770 1.00 25.00 O ATOM 81 CB CYS A 6 -2.212 -3.311 -5.658 1.00 25.00 C ATOM 82 SG CYS A 6 -3.234 -3.334 -7.171 1.00 25.00 S ATOM 0 H CYS A 6 -0.869 -3.794 -3.441 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.572 -4.487 -4.407 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.332 -2.338 -5.181 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.166 -3.395 -5.952 1.00 25.00 H new ATOM 87 N CYS A 7 -0.903 -6.227 -4.882 1.00 25.00 N ATOM 88 CA CYS A 7 -0.529 -7.590 -5.275 1.00 25.00 C ATOM 89 C CYS A 7 -1.085 -8.494 -4.186 1.00 25.00 C ATOM 90 O CYS A 7 -1.766 -9.485 -4.468 1.00 25.00 O ATOM 91 CB CYS A 7 1.002 -7.760 -5.389 1.00 25.00 C ATOM 92 SG CYS A 7 1.782 -6.661 -6.619 1.00 25.00 S ATOM 0 H CYS A 7 -0.175 -5.695 -4.405 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.930 -7.833 -6.259 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.451 -7.573 -4.414 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.224 -8.795 -5.649 1.00 25.00 H new ATOM 97 N THR A 8 -0.800 -8.136 -2.947 1.00 25.00 N ATOM 98 CA THR A 8 -1.221 -8.932 -1.793 1.00 25.00 C ATOM 99 C THR A 8 -2.729 -8.874 -1.537 1.00 25.00 C ATOM 100 O THR A 8 -3.357 -9.906 -1.253 1.00 25.00 O ATOM 101 CB THR A 8 -0.475 -8.441 -0.534 1.00 25.00 C ATOM 102 OG1 THR A 8 0.916 -8.337 -0.841 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.645 -9.370 0.633 1.00 25.00 C ATOM 0 H THR A 8 -0.276 -7.295 -2.706 1.00 25.00 H new ATOM 0 HA THR A 8 -0.974 -9.970 -2.017 1.00 25.00 H new ATOM 0 HB THR A 8 -0.896 -7.476 -0.251 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.422 -8.180 -0.017 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.101 -8.978 1.492 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.703 -9.453 0.881 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.255 -10.354 0.374 1.00 25.00 H new ATOM 111 N SER A 9 -3.325 -7.693 -1.618 1.00 25.00 N ATOM 112 CA SER A 9 -4.754 -7.532 -1.331 1.00 25.00 C ATOM 113 C SER A 9 -5.526 -7.126 -2.589 1.00 25.00 C ATOM 114 O SER A 9 -4.964 -7.069 -3.676 1.00 25.00 O ATOM 115 CB SER A 9 -4.947 -6.482 -0.236 1.00 25.00 C ATOM 116 OG SER A 9 -3.710 -6.165 0.364 1.00 25.00 O ATOM 0 H SER A 9 -2.847 -6.830 -1.879 1.00 25.00 H new ATOM 0 HA SER A 9 -5.145 -8.490 -0.988 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.394 -5.583 -0.660 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.639 -6.857 0.518 1.00 25.00 H new ATOM 0 HG SER A 9 -3.848 -5.491 1.062 1.00 25.00 H new ATOM 122 N ILE A 10 -6.830 -6.918 -2.440 1.00 25.00 N ATOM 123 CA ILE A 10 -7.663 -6.518 -3.565 1.00 25.00 C ATOM 124 C ILE A 10 -7.587 -4.991 -3.659 1.00 25.00 C ATOM 125 O ILE A 10 -7.828 -4.285 -2.679 1.00 25.00 O ATOM 126 CB ILE A 10 -9.155 -6.919 -3.342 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.320 -8.452 -3.262 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.069 -6.335 -4.457 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.031 -9.209 -4.568 1.00 25.00 C ATOM 0 H ILE A 10 -7.329 -7.019 -1.556 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.309 -7.011 -4.470 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.464 -6.493 -2.387 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.657 -8.833 -2.485 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.340 -8.676 -2.949 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.102 -6.632 -4.274 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.998 -5.247 -4.453 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.749 -6.716 -5.427 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.175 -10.278 -4.409 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.711 -8.864 -5.347 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.002 -9.023 -4.876 1.00 25.00 H new ATOM 141 N CYS A 11 -7.267 -4.487 -4.839 1.00 25.00 N ATOM 142 CA CYS A 11 -7.145 -3.051 -5.050 1.00 25.00 C ATOM 143 C CYS A 11 -8.139 -2.576 -6.103 1.00 25.00 C ATOM 144 O CYS A 11 -8.249 -3.156 -7.175 1.00 25.00 O ATOM 145 CB CYS A 11 -5.729 -2.734 -5.509 1.00 25.00 C ATOM 146 SG CYS A 11 -5.051 -4.023 -6.595 1.00 25.00 S ATOM 0 H CYS A 11 -7.086 -5.052 -5.669 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.360 -2.536 -4.114 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.725 -1.780 -6.036 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.084 -2.620 -4.638 1.00 25.00 H new ATOM 151 N SER A 12 -8.862 -1.515 -5.787 1.00 25.00 N ATOM 152 CA SER A 12 -9.825 -0.911 -6.713 1.00 25.00 C ATOM 153 C SER A 12 -9.165 0.299 -7.362 1.00 25.00 C ATOM 154 O SER A 12 -8.145 0.785 -6.863 1.00 25.00 O ATOM 155 CB SER A 12 -11.071 -0.457 -5.948 1.00 25.00 C ATOM 156 OG SER A 12 -11.611 -1.525 -5.195 1.00 25.00 O ATOM 0 H SER A 12 -8.804 -1.043 -4.885 1.00 25.00 H new ATOM 0 HA SER A 12 -10.121 -1.638 -7.469 1.00 25.00 H new ATOM 0 HB2 SER A 12 -10.816 0.370 -5.285 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.819 -0.085 -6.648 1.00 25.00 H new ATOM 0 HG SER A 12 -12.405 -1.216 -4.712 1.00 25.00 H new ATOM 162 N LEU A 13 -9.774 0.824 -8.419 1.00 25.00 N ATOM 163 CA LEU A 13 -9.260 2.018 -9.079 1.00 25.00 C ATOM 164 C LEU A 13 -9.173 3.208 -8.104 1.00 25.00 C ATOM 165 O LEU A 13 -8.254 4.012 -8.178 1.00 25.00 O ATOM 166 CB LEU A 13 -10.148 2.366 -10.278 1.00 25.00 C ATOM 167 CG LEU A 13 -11.569 2.879 -9.992 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.645 4.398 -10.154 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.535 2.208 -10.919 1.00 25.00 C ATOM 0 H LEU A 13 -10.623 0.442 -8.837 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.249 1.810 -9.429 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.631 3.122 -10.869 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.232 1.476 -10.902 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.829 2.640 -8.961 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.660 4.736 -9.946 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.955 4.873 -9.457 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.374 4.669 -11.174 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.543 2.570 -10.718 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.267 2.435 -11.951 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.499 1.130 -10.764 1.00 25.00 H new ATOM 181 N TYR A 14 -10.089 3.255 -7.153 1.00 25.00 N ATOM 182 CA TYR A 14 -10.109 4.301 -6.151 1.00 25.00 C ATOM 183 C TYR A 14 -8.833 4.275 -5.314 1.00 25.00 C ATOM 184 O TYR A 14 -8.261 5.304 -4.988 1.00 25.00 O ATOM 185 CB TYR A 14 -11.316 4.104 -5.246 1.00 25.00 C ATOM 186 CG TYR A 14 -11.540 5.246 -4.302 1.00 25.00 C ATOM 187 CD1 TYR A 14 -10.942 5.258 -3.033 1.00 25.00 C ATOM 188 CD2 TYR A 14 -12.377 6.325 -4.662 1.00 25.00 C ATOM 189 CE1 TYR A 14 -11.168 6.315 -2.129 1.00 25.00 C ATOM 190 CE2 TYR A 14 -12.612 7.379 -3.757 1.00 25.00 C ATOM 191 CZ TYR A 14 -12.003 7.367 -2.501 1.00 25.00 C ATOM 192 OH TYR A 14 -12.240 8.388 -1.623 1.00 25.00 O ATOM 0 H TYR A 14 -10.838 2.569 -7.055 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.172 5.267 -6.653 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.205 3.971 -5.862 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.185 3.187 -4.672 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -10.296 4.442 -2.744 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -12.840 6.342 -5.638 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -10.698 6.310 -1.156 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -13.262 8.195 -4.035 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.842 9.042 -2.036 1.00 25.00 H new ATOM 202 N GLN A 15 -8.353 3.081 -4.990 1.00 25.00 N ATOM 203 CA GLN A 15 -7.113 2.947 -4.241 1.00 25.00 C ATOM 204 C GLN A 15 -5.953 3.301 -5.152 1.00 25.00 C ATOM 205 O GLN A 15 -5.042 3.997 -4.747 1.00 25.00 O ATOM 206 CB GLN A 15 -6.934 1.511 -3.723 1.00 25.00 C ATOM 207 CG GLN A 15 -7.228 1.344 -2.239 1.00 25.00 C ATOM 208 CD GLN A 15 -6.240 2.057 -1.350 1.00 25.00 C ATOM 209 OE1 GLN A 15 -5.067 2.165 -1.660 1.00 25.00 O ATOM 210 NE2 GLN A 15 -6.709 2.546 -0.236 1.00 25.00 N ATOM 0 H GLN A 15 -8.801 2.197 -5.233 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.145 3.618 -3.383 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -7.588 0.848 -4.289 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.910 1.191 -3.918 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.230 1.719 -2.030 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.227 0.282 -1.993 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.697 2.438 -0.007 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.088 3.037 0.407 1.00 25.00 H new ATOM 219 N LEU A 16 -5.993 2.831 -6.388 1.00 25.00 N ATOM 220 CA LEU A 16 -4.892 3.066 -7.344 1.00 25.00 C ATOM 221 C LEU A 16 -4.664 4.554 -7.592 1.00 25.00 C ATOM 222 O LEU A 16 -3.536 4.977 -7.805 1.00 25.00 O ATOM 223 CB LEU A 16 -5.184 2.376 -8.669 1.00 25.00 C ATOM 224 CG LEU A 16 -5.005 0.858 -8.820 1.00 25.00 C ATOM 225 CD1 LEU A 16 -3.956 0.566 -9.878 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.615 0.134 -7.543 1.00 25.00 C ATOM 0 H LEU A 16 -6.768 2.285 -6.764 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.987 2.649 -6.901 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.218 2.604 -8.928 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.555 2.849 -9.422 1.00 25.00 H new ATOM 0 HG LEU A 16 -5.987 0.481 -9.106 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.833 -0.512 -9.981 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.274 0.988 -10.832 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.007 1.013 -9.582 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.511 -0.932 -7.746 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -3.667 0.528 -7.177 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -5.387 0.286 -6.788 1.00 25.00 H new ATOM 238 N GLU A 17 -5.717 5.356 -7.520 1.00 25.00 N ATOM 239 CA GLU A 17 -5.579 6.810 -7.666 1.00 25.00 C ATOM 240 C GLU A 17 -4.673 7.423 -6.596 1.00 25.00 C ATOM 241 O GLU A 17 -4.008 8.424 -6.861 1.00 25.00 O ATOM 242 CB GLU A 17 -6.938 7.500 -7.602 1.00 25.00 C ATOM 243 CG GLU A 17 -7.720 7.354 -8.868 1.00 25.00 C ATOM 244 CD GLU A 17 -9.029 8.089 -8.825 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.965 7.735 -8.166 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.059 9.140 -9.576 1.00 25.00 O ATOM 0 H GLU A 17 -6.672 5.034 -7.363 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.123 6.970 -8.643 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.513 7.084 -6.775 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.793 8.559 -7.389 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.126 7.726 -9.703 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.907 6.297 -9.056 1.00 25.00 H new ATOM 254 N ASN A 18 -4.576 6.811 -5.422 1.00 25.00 N ATOM 255 CA ASN A 18 -3.704 7.350 -4.363 1.00 25.00 C ATOM 256 C ASN A 18 -2.237 7.249 -4.772 1.00 25.00 C ATOM 257 O ASN A 18 -1.372 7.891 -4.189 1.00 25.00 O ATOM 258 CB ASN A 18 -3.891 6.561 -3.062 1.00 25.00 C ATOM 259 CG ASN A 18 -5.280 6.686 -2.495 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.868 7.751 -2.481 1.00 25.00 O ATOM 261 ND2 ASN A 18 -5.801 5.589 -2.011 1.00 25.00 N ATOM 0 H ASN A 18 -5.076 5.957 -5.173 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.977 8.394 -4.211 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -3.673 5.509 -3.246 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.170 6.911 -2.324 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -6.735 5.605 -1.602 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.273 4.717 -2.043 1.00 25.00 H new ATOM 268 N TYR A 19 -1.962 6.422 -5.770 1.00 25.00 N ATOM 269 CA TYR A 19 -0.608 6.175 -6.235 1.00 25.00 C ATOM 270 C TYR A 19 -0.332 6.949 -7.519 1.00 25.00 C ATOM 271 O TYR A 19 0.687 6.736 -8.167 1.00 25.00 O ATOM 272 CB TYR A 19 -0.425 4.680 -6.470 1.00 25.00 C ATOM 273 CG TYR A 19 -0.778 3.856 -5.256 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.174 3.552 -4.260 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.081 3.365 -5.103 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.195 2.771 -3.121 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.448 2.581 -3.991 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.503 2.292 -3.008 1.00 25.00 C ATOM 279 OH TYR A 19 -1.863 1.542 -1.925 1.00 25.00 O ATOM 0 H TYR A 19 -2.676 5.902 -6.281 1.00 25.00 H new ATOM 0 HA TYR A 19 0.099 6.514 -5.478 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.047 4.369 -7.309 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.610 4.484 -6.750 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.188 3.912 -4.359 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.822 3.593 -5.855 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.532 2.553 -2.353 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.457 2.206 -3.901 1.00 25.00 H new ATOM 0 HH TYR A 19 -2.821 1.656 -1.752 1.00 25.00 H new ATOM 289 N CYS A 20 -1.213 7.892 -7.854 1.00 25.00 N ATOM 290 CA CYS A 20 -0.977 8.793 -8.984 1.00 25.00 C ATOM 291 C CYS A 20 0.318 9.582 -8.765 1.00 25.00 C ATOM 292 O CYS A 20 1.079 9.827 -9.694 1.00 25.00 O ATOM 293 CB CYS A 20 -2.128 9.784 -9.125 1.00 25.00 C ATOM 294 SG CYS A 20 -3.605 9.136 -9.964 1.00 25.00 S ATOM 0 H CYS A 20 -2.092 8.052 -7.362 1.00 25.00 H new ATOM 0 HA CYS A 20 -0.899 8.189 -9.888 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.415 10.127 -8.131 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -1.771 10.656 -9.673 1.00 25.00 H new ATOM 299 N ASN A 21 0.558 9.968 -7.500 1.00 25.00 N ATOM 300 CA ASN A 21 1.777 10.673 -7.026 1.00 25.00 C ATOM 301 C ASN A 21 2.010 12.054 -7.657 1.00 25.00 C ATOM 302 O ASN A 21 1.929 13.085 -7.022 1.00 25.00 O ATOM 303 CB ASN A 21 3.018 9.746 -7.127 1.00 25.00 C ATOM 304 CG ASN A 21 4.117 10.222 -6.212 1.00 25.00 C ATOM 305 OD1 ASN A 21 3.939 10.909 -5.232 1.00 25.00 O ATOM 306 ND2 ASN A 21 5.339 9.814 -6.530 1.00 25.00 N ATOM 307 OXT ASN A 21 2.275 12.047 -8.932 1.00 25.00 O ATOM 0 H ASN A 21 -0.110 9.795 -6.749 1.00 25.00 H new ATOM 0 HA ASN A 21 1.604 10.901 -5.974 1.00 25.00 H new ATOM 0 HB2 ASN A 21 2.738 8.726 -6.866 1.00 25.00 H new ATOM 0 HB3 ASN A 21 3.379 9.724 -8.155 1.00 25.00 H new ATOM 0 HD21 ASN A 21 6.133 10.079 -5.947 1.00 25.00 H new ATOM 0 HD22 ASN A 21 5.484 9.235 -7.357 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.588 -1.331 -15.665 1.00 25.00 N ATOM 317 CA PHE B 1 -11.690 -1.663 -14.533 1.00 25.00 C ATOM 318 C PHE B 1 -12.265 -2.657 -13.525 1.00 25.00 C ATOM 319 O PHE B 1 -13.267 -2.440 -12.882 1.00 25.00 O ATOM 320 CB PHE B 1 -11.314 -0.363 -13.808 1.00 25.00 C ATOM 321 CG PHE B 1 -10.126 -0.482 -12.856 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.193 -1.247 -11.673 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.927 0.185 -13.178 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.077 -1.358 -10.845 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.818 0.075 -12.337 1.00 25.00 C ATOM 326 CZ PHE B 1 -7.895 -0.709 -11.185 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.116 -0.652 -16.295 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.813 -2.197 -16.195 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.466 -0.911 -15.300 1.00 25.00 H new ATOM 0 HA PHE B 1 -10.821 -2.158 -14.967 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.090 0.400 -14.553 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.180 -0.014 -13.245 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.112 -1.748 -11.408 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.866 0.782 -14.076 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.130 -1.947 -9.941 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.903 0.595 -12.577 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.027 -0.813 -10.551 1.00 25.00 H new ATOM 337 N VAL B 2 -11.562 -3.783 -13.331 1.00 25.00 N ATOM 338 CA VAL B 2 -11.965 -4.781 -12.339 1.00 25.00 C ATOM 339 C VAL B 2 -10.994 -4.751 -11.168 1.00 25.00 C ATOM 340 O VAL B 2 -9.769 -4.826 -11.338 1.00 25.00 O ATOM 341 CB VAL B 2 -11.981 -6.215 -12.923 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.425 -7.243 -11.855 1.00 25.00 C ATOM 343 CG2 VAL B 2 -12.920 -6.288 -14.127 1.00 25.00 C ATOM 0 H VAL B 2 -10.715 -4.021 -13.848 1.00 25.00 H new ATOM 0 HA VAL B 2 -12.976 -4.530 -12.020 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.967 -6.459 -13.241 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.428 -8.242 -12.291 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.732 -7.216 -11.014 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -13.428 -6.996 -11.507 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.921 -7.302 -14.527 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.930 -6.019 -13.818 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -12.580 -5.595 -14.896 1.00 25.00 H new ATOM 353 N ASN B 3 -11.562 -4.660 -9.980 1.00 25.00 N ATOM 354 CA ASN B 3 -10.803 -4.712 -8.739 1.00 25.00 C ATOM 355 C ASN B 3 -10.458 -6.172 -8.453 1.00 25.00 C ATOM 356 O ASN B 3 -11.322 -7.034 -8.364 1.00 25.00 O ATOM 357 CB ASN B 3 -11.595 -4.107 -7.580 1.00 25.00 C ATOM 358 CG ASN B 3 -12.923 -4.771 -7.383 1.00 25.00 C ATOM 359 OD1 ASN B 3 -13.776 -4.743 -8.258 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.114 -5.364 -6.251 1.00 25.00 N ATOM 0 H ASN B 3 -12.567 -4.547 -9.845 1.00 25.00 H new ATOM 0 HA ASN B 3 -9.891 -4.124 -8.843 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.011 -4.190 -6.663 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.748 -3.044 -7.765 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.001 -5.831 -6.063 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.377 -5.366 -5.545 1.00 25.00 H new ATOM 367 N GLN B 4 -9.166 -6.444 -8.371 1.00 25.00 N ATOM 368 CA GLN B 4 -8.658 -7.800 -8.215 1.00 25.00 C ATOM 369 C GLN B 4 -7.228 -7.646 -7.745 1.00 25.00 C ATOM 370 O GLN B 4 -6.741 -6.524 -7.627 1.00 25.00 O ATOM 371 CB GLN B 4 -8.709 -8.536 -9.564 1.00 25.00 C ATOM 372 CG GLN B 4 -7.838 -7.896 -10.650 1.00 25.00 C ATOM 373 CD GLN B 4 -8.114 -8.426 -12.022 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.854 -9.571 -12.329 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.626 -7.581 -12.875 1.00 25.00 N ATOM 0 H GLN B 4 -8.438 -5.731 -8.411 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.249 -8.382 -7.508 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.390 -9.568 -9.417 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.742 -8.568 -9.911 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.999 -6.818 -10.646 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.788 -8.063 -10.409 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.833 -6.625 -12.585 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.819 -7.876 -13.832 1.00 25.00 H new ATOM 384 N HIS B 5 -6.531 -8.752 -7.530 1.00 25.00 N ATOM 385 CA HIS B 5 -5.110 -8.695 -7.224 1.00 25.00 C ATOM 386 C HIS B 5 -4.391 -8.347 -8.523 1.00 25.00 C ATOM 387 O HIS B 5 -4.563 -9.022 -9.533 1.00 25.00 O ATOM 388 CB HIS B 5 -4.612 -10.041 -6.705 1.00 25.00 C ATOM 389 CG HIS B 5 -5.230 -10.442 -5.405 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.780 -9.974 -4.176 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.277 -11.260 -5.102 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.554 -10.482 -3.220 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.444 -11.264 -3.750 1.00 25.00 N ATOM 0 H HIS B 5 -6.923 -9.693 -7.561 1.00 25.00 H new ATOM 0 HA HIS B 5 -4.918 -7.952 -6.450 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -4.821 -10.809 -7.450 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.529 -9.998 -6.586 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -3.989 -9.346 -4.031 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -6.873 -11.812 -5.813 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.456 -10.275 -2.164 1.00 25.00 H new ATOM 402 N LEU B 6 -3.608 -7.285 -8.503 1.00 25.00 N ATOM 403 CA LEU B 6 -2.898 -6.822 -9.695 1.00 25.00 C ATOM 404 C LEU B 6 -1.453 -6.655 -9.301 1.00 25.00 C ATOM 405 O LEU B 6 -1.153 -6.171 -8.226 1.00 25.00 O ATOM 406 CB LEU B 6 -3.468 -5.481 -10.183 1.00 25.00 C ATOM 407 CG LEU B 6 -4.889 -5.555 -10.752 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.609 -4.232 -10.555 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.841 -5.929 -12.241 1.00 25.00 C ATOM 0 H LEU B 6 -3.443 -6.719 -7.671 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.008 -7.538 -10.510 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.461 -4.775 -9.352 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.806 -5.078 -10.949 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.442 -6.327 -10.217 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.617 -4.302 -10.965 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.665 -4.003 -9.491 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.063 -3.441 -11.068 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.856 -5.979 -12.636 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.275 -5.174 -12.788 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.358 -6.899 -12.357 1.00 25.00 H new ATOM 421 N CYS B 7 -0.563 -7.088 -10.178 1.00 25.00 N ATOM 422 CA CYS B 7 0.863 -7.020 -9.903 1.00 25.00 C ATOM 423 C CYS B 7 1.625 -6.850 -11.213 1.00 25.00 C ATOM 424 O CYS B 7 1.045 -6.984 -12.292 1.00 25.00 O ATOM 425 CB CYS B 7 1.320 -8.277 -9.164 1.00 25.00 C ATOM 426 SG CYS B 7 2.644 -7.930 -7.960 1.00 25.00 S ATOM 0 H CYS B 7 -0.802 -7.490 -11.085 1.00 25.00 H new ATOM 0 HA CYS B 7 1.069 -6.162 -9.264 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.469 -8.721 -8.647 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.673 -9.012 -9.887 1.00 25.00 H new ATOM 431 N GLY B 8 2.909 -6.509 -11.124 1.00 25.00 N ATOM 432 CA GLY B 8 3.740 -6.357 -12.312 1.00 25.00 C ATOM 433 C GLY B 8 3.165 -5.453 -13.393 1.00 25.00 C ATOM 434 O GLY B 8 2.603 -4.379 -13.112 1.00 25.00 O ATOM 0 H GLY B 8 3.394 -6.334 -10.244 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.710 -5.963 -12.009 1.00 25.00 H new ATOM 0 HA3 GLY B 8 3.916 -7.343 -12.741 1.00 25.00 H new ATOM 438 N SER B 9 3.279 -5.900 -14.634 1.00 25.00 N ATOM 439 CA SER B 9 2.779 -5.132 -15.763 1.00 25.00 C ATOM 440 C SER B 9 1.277 -4.920 -15.661 1.00 25.00 C ATOM 441 O SER B 9 0.767 -3.895 -16.067 1.00 25.00 O ATOM 442 CB SER B 9 3.109 -5.855 -17.070 1.00 25.00 C ATOM 443 OG SER B 9 4.443 -6.354 -17.014 1.00 25.00 O ATOM 0 H SER B 9 3.712 -6.789 -14.884 1.00 25.00 H new ATOM 0 HA SER B 9 3.264 -4.156 -15.751 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.409 -6.675 -17.231 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.000 -5.173 -17.913 1.00 25.00 H new ATOM 0 HG SER B 9 4.654 -6.819 -17.851 1.00 25.00 H new ATOM 449 N HIS B 10 0.563 -5.882 -15.089 1.00 25.00 N ATOM 450 CA HIS B 10 -0.874 -5.731 -14.924 1.00 25.00 C ATOM 451 C HIS B 10 -1.163 -4.589 -13.955 1.00 25.00 C ATOM 452 O HIS B 10 -2.103 -3.817 -14.161 1.00 25.00 O ATOM 453 CB HIS B 10 -1.527 -7.026 -14.433 1.00 25.00 C ATOM 454 CG HIS B 10 -2.789 -7.365 -15.161 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.495 -8.559 -14.980 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.502 -6.686 -16.102 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.552 -8.551 -15.780 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.576 -7.438 -16.455 1.00 25.00 N ATOM 0 H HIS B 10 0.948 -6.759 -14.738 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.304 -5.499 -15.898 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.819 -7.847 -14.546 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.743 -6.935 -13.369 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.255 -5.713 -16.500 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.280 -9.345 -15.859 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.286 -7.174 -17.138 1.00 25.00 H new ATOM 467 N LEU B 11 -0.341 -4.450 -12.928 1.00 25.00 N ATOM 468 CA LEU B 11 -0.505 -3.342 -11.993 1.00 25.00 C ATOM 469 C LEU B 11 -0.223 -2.003 -12.667 1.00 25.00 C ATOM 470 O LEU B 11 -1.008 -1.074 -12.536 1.00 25.00 O ATOM 471 CB LEU B 11 0.446 -3.479 -10.811 1.00 25.00 C ATOM 472 CG LEU B 11 -0.116 -3.145 -9.420 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.985 -3.331 -8.379 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.675 -1.727 -9.329 1.00 25.00 C ATOM 0 H LEU B 11 0.436 -5.078 -12.720 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.539 -3.374 -11.649 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.814 -4.505 -10.790 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.306 -2.835 -10.992 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.947 -3.825 -9.231 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.593 -3.096 -7.389 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.331 -4.364 -8.396 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.818 -2.666 -8.607 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.057 -1.550 -8.324 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.116 -1.009 -9.548 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.483 -1.608 -10.050 1.00 25.00 H new ATOM 486 N VAL B 12 0.887 -1.879 -13.364 1.00 25.00 N ATOM 487 CA VAL B 12 1.222 -0.575 -13.956 1.00 25.00 C ATOM 488 C VAL B 12 0.219 -0.236 -15.065 1.00 25.00 C ATOM 489 O VAL B 12 -0.151 0.923 -15.245 1.00 25.00 O ATOM 490 CB VAL B 12 2.712 -0.481 -14.426 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.960 -1.217 -15.730 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.124 0.974 -14.580 1.00 25.00 C ATOM 0 H VAL B 12 1.559 -2.627 -13.538 1.00 25.00 H new ATOM 0 HA VAL B 12 1.134 0.183 -13.178 1.00 25.00 H new ATOM 0 HB VAL B 12 3.316 -0.962 -13.656 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.009 -1.119 -16.009 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.715 -2.272 -15.605 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.335 -0.790 -16.514 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.162 1.025 -14.907 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.486 1.456 -15.320 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.020 1.485 -13.623 1.00 25.00 H new ATOM 502 N GLU B 13 -0.320 -1.252 -15.730 1.00 25.00 N ATOM 503 CA GLU B 13 -1.414 -1.051 -16.688 1.00 25.00 C ATOM 504 C GLU B 13 -2.648 -0.504 -15.987 1.00 25.00 C ATOM 505 O GLU B 13 -3.276 0.414 -16.474 1.00 25.00 O ATOM 506 CB GLU B 13 -1.789 -2.381 -17.352 1.00 25.00 C ATOM 507 CG GLU B 13 -0.905 -2.754 -18.512 1.00 25.00 C ATOM 508 CD GLU B 13 -0.981 -4.221 -18.831 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.978 -4.884 -18.662 1.00 25.00 O ATOM 510 OE2 GLU B 13 0.123 -4.724 -19.267 1.00 25.00 O ATOM 0 H GLU B 13 -0.022 -2.222 -15.628 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.071 -0.339 -17.439 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.746 -3.174 -16.605 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.821 -2.325 -17.698 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.196 -2.177 -19.390 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.126 -2.486 -18.282 1.00 25.00 H new ATOM 518 N ALA B 14 -3.027 -1.073 -14.856 1.00 25.00 N ATOM 519 CA ALA B 14 -4.203 -0.592 -14.140 1.00 25.00 C ATOM 520 C ALA B 14 -3.988 0.857 -13.731 1.00 25.00 C ATOM 521 O ALA B 14 -4.884 1.689 -13.901 1.00 25.00 O ATOM 522 CB ALA B 14 -4.465 -1.479 -12.923 1.00 25.00 C ATOM 0 H ALA B 14 -2.547 -1.858 -14.416 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.079 -0.640 -14.788 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.344 -1.116 -12.391 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.636 -2.504 -13.250 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.601 -1.450 -12.259 1.00 25.00 H new ATOM 528 N LEU B 15 -2.807 1.166 -13.221 1.00 25.00 N ATOM 529 CA LEU B 15 -2.474 2.524 -12.800 1.00 25.00 C ATOM 530 C LEU B 15 -2.490 3.463 -14.019 1.00 25.00 C ATOM 531 O LEU B 15 -2.917 4.612 -13.912 1.00 25.00 O ATOM 532 CB LEU B 15 -1.100 2.520 -12.125 1.00 25.00 C ATOM 533 CG LEU B 15 -1.040 3.249 -10.770 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.320 2.973 -10.139 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.273 4.761 -10.873 1.00 25.00 C ATOM 0 H LEU B 15 -2.055 0.491 -13.086 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.212 2.885 -12.084 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.786 1.486 -11.979 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.378 2.980 -12.800 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.852 2.865 -10.153 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.384 3.481 -9.177 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.442 1.900 -9.992 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.108 3.341 -10.797 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.216 5.206 -9.880 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.510 5.204 -11.514 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.259 4.949 -11.299 1.00 25.00 H new ATOM 547 N TYR B 16 -2.081 2.965 -15.170 1.00 25.00 N ATOM 548 CA TYR B 16 -2.137 3.758 -16.394 1.00 25.00 C ATOM 549 C TYR B 16 -3.588 3.998 -16.815 1.00 25.00 C ATOM 550 O TYR B 16 -3.940 5.093 -17.206 1.00 25.00 O ATOM 551 CB TYR B 16 -1.392 3.043 -17.524 1.00 25.00 C ATOM 552 CG TYR B 16 -1.706 3.612 -18.883 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.116 4.817 -19.321 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.621 2.959 -19.738 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.434 5.361 -20.599 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.951 3.503 -21.005 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.350 4.698 -21.427 1.00 25.00 C ATOM 558 OH TYR B 16 -2.680 5.195 -22.651 1.00 25.00 O ATOM 0 H TYR B 16 -1.708 2.023 -15.289 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.661 4.718 -16.197 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.319 3.112 -17.346 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.650 1.984 -17.510 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.416 5.332 -18.680 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.076 2.032 -19.422 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.971 6.280 -20.928 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.662 2.999 -21.643 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.329 4.600 -23.082 1.00 25.00 H new ATOM 568 N LEU B 17 -4.440 2.991 -16.716 1.00 25.00 N ATOM 569 CA LEU B 17 -5.829 3.130 -17.146 1.00 25.00 C ATOM 570 C LEU B 17 -6.567 4.125 -16.277 1.00 25.00 C ATOM 571 O LEU B 17 -7.365 4.914 -16.774 1.00 25.00 O ATOM 572 CB LEU B 17 -6.530 1.771 -17.115 1.00 25.00 C ATOM 573 CG LEU B 17 -6.055 0.769 -18.179 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.512 -0.648 -17.817 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.565 1.145 -19.560 1.00 25.00 C ATOM 0 H LEU B 17 -4.200 2.072 -16.344 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.835 3.505 -18.169 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.386 1.327 -16.130 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.601 1.929 -17.239 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.966 0.798 -18.202 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.168 -1.347 -18.580 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.093 -0.930 -16.851 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.600 -0.677 -17.763 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.211 0.416 -20.289 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.655 1.154 -19.555 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.195 2.135 -19.827 1.00 25.00 H new ATOM 587 N VAL B 18 -6.307 4.097 -14.979 1.00 25.00 N ATOM 588 CA VAL B 18 -7.005 5.000 -14.069 1.00 25.00 C ATOM 589 C VAL B 18 -6.354 6.389 -13.983 1.00 25.00 C ATOM 590 O VAL B 18 -7.044 7.393 -13.808 1.00 25.00 O ATOM 591 CB VAL B 18 -7.161 4.350 -12.641 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.811 4.156 -11.960 1.00 25.00 C ATOM 593 CG2 VAL B 18 -8.069 5.175 -11.755 1.00 25.00 C ATOM 0 H VAL B 18 -5.632 3.473 -14.536 1.00 25.00 H new ATOM 0 HA VAL B 18 -7.999 5.157 -14.488 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.615 3.370 -12.790 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.960 3.706 -10.979 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.187 3.501 -12.569 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.319 5.122 -11.845 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.155 4.699 -10.778 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.651 6.175 -11.636 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.056 5.247 -12.212 1.00 25.00 H new ATOM 603 N CYS B 19 -5.033 6.452 -14.081 1.00 25.00 N ATOM 604 CA CYS B 19 -4.305 7.703 -13.843 1.00 25.00 C ATOM 605 C CYS B 19 -3.368 8.149 -14.959 1.00 25.00 C ATOM 606 O CYS B 19 -3.177 9.347 -15.164 1.00 25.00 O ATOM 607 CB CYS B 19 -3.498 7.583 -12.559 1.00 25.00 C ATOM 608 SG CYS B 19 -3.070 9.225 -11.911 1.00 25.00 S ATOM 0 H CYS B 19 -4.440 5.658 -14.322 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.080 8.467 -13.783 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.071 7.031 -11.814 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.588 7.013 -12.748 1.00 25.00 H new ATOM 613 N GLY B 20 -2.772 7.211 -15.676 1.00 25.00 N ATOM 614 CA GLY B 20 -1.891 7.575 -16.773 1.00 25.00 C ATOM 615 C GLY B 20 -2.683 8.249 -17.888 1.00 25.00 C ATOM 616 O GLY B 20 -2.189 9.143 -18.566 1.00 25.00 O ATOM 0 H GLY B 20 -2.879 6.208 -15.523 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.111 8.247 -16.414 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.393 6.686 -17.158 1.00 25.00 H new ATOM 620 N GLU B 21 -3.934 7.843 -18.021 1.00 25.00 N ATOM 621 CA GLU B 21 -4.865 8.426 -18.980 1.00 25.00 C ATOM 622 C GLU B 21 -5.576 9.628 -18.367 1.00 25.00 C ATOM 623 O GLU B 21 -6.721 9.919 -18.715 1.00 25.00 O ATOM 624 CB GLU B 21 -5.918 7.370 -19.360 1.00 25.00 C ATOM 625 CG GLU B 21 -5.354 6.170 -20.085 1.00 25.00 C ATOM 626 CD GLU B 21 -5.411 6.315 -21.581 1.00 25.00 C ATOM 627 OE1 GLU B 21 -4.910 7.212 -22.196 1.00 25.00 O ATOM 628 OE2 GLU B 21 -6.031 5.342 -22.162 1.00 25.00 O ATOM 0 H GLU B 21 -4.339 7.092 -17.462 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.310 8.749 -19.861 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.420 7.031 -18.454 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.676 7.838 -19.988 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.319 6.019 -19.778 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.908 5.279 -19.789 1.00 25.00 H new ATOM 636 N ARG B 22 -4.944 10.277 -17.390 1.00 25.00 N ATOM 637 CA ARG B 22 -5.596 11.359 -16.637 1.00 25.00 C ATOM 638 C ARG B 22 -4.665 12.481 -16.151 1.00 25.00 C ATOM 639 O ARG B 22 -4.994 13.665 -16.261 1.00 25.00 O ATOM 640 CB ARG B 22 -6.307 10.741 -15.411 1.00 25.00 C ATOM 641 CG ARG B 22 -7.215 11.689 -14.637 1.00 25.00 C ATOM 642 CD ARG B 22 -8.459 12.036 -15.435 1.00 25.00 C ATOM 643 NE ARG B 22 -9.347 10.868 -15.571 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.519 10.852 -16.203 1.00 25.00 C ATOM 645 NH1 ARG B 22 -11.019 11.908 -16.792 1.00 25.00 N ATOM 646 NH2 ARG B 22 -11.196 9.738 -16.235 1.00 25.00 N ATOM 0 H ARG B 22 -3.987 10.078 -17.099 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.285 11.833 -17.336 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.900 9.890 -15.747 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.549 10.353 -14.730 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.503 11.229 -13.692 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -6.670 12.601 -14.394 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.995 12.848 -14.944 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.172 12.395 -16.423 1.00 25.00 H new ATOM 0 HE ARG B 22 -9.037 9.995 -15.144 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.507 12.790 -16.779 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -11.921 11.849 -17.265 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -10.825 8.903 -15.782 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -12.096 9.702 -16.713 1.00 25.00 H new ATOM 660 N GLY B 23 -3.538 12.101 -15.570 1.00 25.00 N ATOM 661 CA GLY B 23 -2.583 13.058 -15.027 1.00 25.00 C ATOM 662 C GLY B 23 -1.237 12.968 -15.717 1.00 25.00 C ATOM 663 O GLY B 23 -1.156 12.892 -16.924 1.00 25.00 O ATOM 0 H GLY B 23 -3.259 11.126 -15.461 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.979 14.068 -15.135 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.456 12.878 -13.959 1.00 25.00 H new ATOM 667 N GLY B 24 -0.188 12.988 -14.905 1.00 25.00 N ATOM 668 CA GLY B 24 1.183 13.013 -15.409 1.00 25.00 C ATOM 669 C GLY B 24 1.879 11.669 -15.409 1.00 25.00 C ATOM 670 O GLY B 24 2.755 11.430 -16.236 1.00 25.00 O ATOM 0 H GLY B 24 -0.259 12.987 -13.888 1.00 25.00 H new ATOM 0 HA2 GLY B 24 1.175 13.403 -16.427 1.00 25.00 H new ATOM 0 HA3 GLY B 24 1.765 13.709 -14.805 1.00 25.00 H new ATOM 674 N PHE B 25 1.459 10.787 -14.499 1.00 25.00 N ATOM 675 CA PHE B 25 2.045 9.445 -14.336 1.00 25.00 C ATOM 676 C PHE B 25 3.547 9.532 -13.974 1.00 25.00 C ATOM 677 O PHE B 25 4.066 10.602 -13.743 1.00 25.00 O ATOM 678 CB PHE B 25 1.798 8.621 -15.616 1.00 25.00 C ATOM 679 CG PHE B 25 1.652 7.139 -15.374 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.722 6.654 -14.438 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.430 6.223 -16.113 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.570 5.268 -14.229 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.287 4.825 -15.906 1.00 25.00 C ATOM 684 CZ PHE B 25 1.349 4.353 -14.965 1.00 25.00 C ATOM 0 H PHE B 25 0.698 10.981 -13.848 1.00 25.00 H new ATOM 0 HA PHE B 25 1.559 8.935 -13.504 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.896 8.989 -16.104 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.625 8.786 -16.307 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.118 7.350 -13.874 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.139 6.587 -16.841 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.144 4.907 -13.504 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.893 4.128 -16.466 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.228 3.291 -14.808 1.00 25.00 H new ATOM 694 N TYR B 26 4.210 8.384 -13.863 1.00 25.00 N ATOM 695 CA TYR B 26 5.628 8.336 -13.488 1.00 25.00 C ATOM 696 C TYR B 26 6.424 7.292 -14.292 1.00 25.00 C ATOM 697 O TYR B 26 7.607 7.115 -14.077 1.00 25.00 O ATOM 698 CB TYR B 26 5.742 7.996 -11.999 1.00 25.00 C ATOM 699 CG TYR B 26 5.269 6.587 -11.697 1.00 25.00 C ATOM 700 CD1 TYR B 26 3.899 6.310 -11.519 1.00 25.00 C ATOM 701 CD2 TYR B 26 6.189 5.519 -11.601 1.00 25.00 C ATOM 702 CE1 TYR B 26 3.455 4.995 -11.273 1.00 25.00 C ATOM 703 CE2 TYR B 26 5.735 4.194 -11.344 1.00 25.00 C ATOM 704 CZ TYR B 26 4.377 3.954 -11.183 1.00 25.00 C ATOM 705 OH TYR B 26 3.940 2.686 -10.934 1.00 25.00 O ATOM 0 H TYR B 26 3.790 7.469 -14.027 1.00 25.00 H new ATOM 0 HA TYR B 26 6.051 9.316 -13.708 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.779 8.106 -11.681 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.154 8.707 -11.419 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.181 7.115 -11.572 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.245 5.709 -11.724 1.00 25.00 H new ATOM 0 HE1 TYR B 26 2.400 4.794 -11.154 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.443 3.381 -11.275 1.00 25.00 H new ATOM 0 HH TYR B 26 4.706 2.076 -10.903 1.00 25.00 H new HETATM 715 N NVA B 27 5.700 6.584 -15.195 1.00 25.00 N HETATM 716 CA NVA B 27 6.162 5.526 -16.155 1.00 25.00 C HETATM 717 CB NVA B 27 6.014 5.975 -17.651 1.00 25.00 C HETATM 718 CG NVA B 27 5.662 4.769 -18.584 1.00 25.00 C HETATM 719 CD NVA B 27 6.224 4.918 -20.044 1.00 25.00 C HETATM 720 C NVA B 27 7.589 4.894 -15.879 1.00 25.00 C HETATM 721 O NVA B 27 8.611 5.426 -16.285 1.00 25.00 O HETATM 0 HG3 NVA B 27 6.056 3.853 -18.144 1.00 25.00 H new HETATM 0 HG2 NVA B 27 4.578 4.660 -18.630 1.00 25.00 H new HETATM 0 HD3 NVA B 27 5.810 5.816 -20.503 1.00 25.00 H new HETATM 0 HD1 NVA B 27 5.941 4.046 -20.633 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.236 6.734 -17.728 1.00 25.00 H new HETATM 0 HB2 NVA B 27 6.943 6.436 -17.986 1.00 25.00 H new HETATM 0 HA NVA B 27 5.471 4.705 -15.961 1.00 25.00 H new ATOM 730 N PRO B 28 7.676 3.701 -15.173 1.00 25.00 N ATOM 731 CA PRO B 28 8.962 3.068 -14.850 1.00 25.00 C ATOM 732 C PRO B 28 9.560 2.273 -16.028 1.00 25.00 C ATOM 733 O PRO B 28 9.548 1.032 -16.060 1.00 25.00 O ATOM 734 CB PRO B 28 8.598 2.188 -13.655 1.00 25.00 C ATOM 735 CG PRO B 28 7.208 1.745 -13.958 1.00 25.00 C ATOM 736 CD PRO B 28 6.538 2.941 -14.609 1.00 25.00 C ATOM 0 HA PRO B 28 9.751 3.787 -14.630 1.00 25.00 H new ATOM 0 HB2 PRO B 28 9.277 1.341 -13.559 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.647 2.743 -12.718 1.00 25.00 H new ATOM 0 HG2 PRO B 28 7.207 0.883 -14.625 1.00 25.00 H new ATOM 0 HG3 PRO B 28 6.684 1.447 -13.050 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.834 2.636 -15.383 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.978 3.533 -13.885 1.00 25.00 H new HETATM 744 N HIX B 29 10.109 3.032 -16.997 1.00 25.00 N HETATM 745 CA HIX B 29 10.768 2.500 -18.228 1.00 25.00 C HETATM 746 C HIX B 29 12.055 1.734 -17.891 1.00 25.00 C HETATM 747 O HIX B 29 12.924 2.170 -17.141 1.00 25.00 O HETATM 748 CB HIX B 29 11.014 3.580 -19.313 1.00 25.00 C HETATM 749 CG HIX B 29 9.698 3.966 -19.945 1.00 25.00 C HETATM 750 CD2 HIX B 29 8.549 4.249 -19.254 1.00 25.00 C HETATM 751 ND1 HIX B 29 9.386 4.099 -21.274 1.00 25.00 N HETATM 752 NE1 HIX B 29 8.054 4.470 -21.525 1.00 25.00 N HETATM 753 NE2 HIX B 29 7.635 4.536 -20.196 1.00 25.00 N ATOM 760 N THR B 30 12.143 0.524 -18.463 1.00 25.00 N ATOM 761 CA THR B 30 13.237 -0.475 -18.233 1.00 25.00 C ATOM 762 C THR B 30 13.500 -1.311 -19.478 1.00 25.00 C ATOM 763 O THR B 30 14.555 -1.322 -20.068 1.00 25.00 O ATOM 764 CB THR B 30 12.916 -1.399 -17.023 1.00 25.00 C ATOM 765 OG1 THR B 30 11.604 -1.913 -17.178 1.00 25.00 O ATOM 766 CG2 THR B 30 12.968 -0.674 -15.675 1.00 25.00 C ATOM 767 OXT THR B 30 12.496 -2.063 -19.827 1.00 25.00 O ATOM 0 H THR B 30 11.441 0.188 -19.122 1.00 25.00 H new ATOM 0 HA THR B 30 14.141 0.089 -18.004 1.00 25.00 H new ATOM 0 HB THR B 30 13.676 -2.180 -17.015 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.450 -2.139 -18.119 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.734 -1.376 -14.875 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.967 -0.266 -15.520 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.240 0.137 -15.670 1.00 25.00 H new TER 776 THR B 30