USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot -95:sc= 1.19 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.923 K(o=2,f=-0.18) USER MOD Set 2.2: A 30 SER OG : rot -31:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 3 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.031) USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0803 (180deg=-0.317) USER MOD Single : A 10 HIS : no HE2:sc= -0.794 K(o=-0.79,f=-3.9!) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.23 (180deg=1.11) USER MOD Single : A 14 CYS SG : rot -104:sc= 0.352 USER MOD Single : A 16 CYS SG : rot -159:sc= 1.21 USER MOD Single : A 17 CYS SG : rot -36:sc= 0.0725 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -84:sc= 0.93 USER MOD Single : A 36 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 38 GLN : amide:sc= 0.0962 K(o=0.096,f=-0.79) USER MOD Single : A 39 GLN : amide:sc= 1.01 K(o=1,f=-0.034) USER MOD Single : A 46 SER OG : rot 4:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 55 ASN : amide:sc= 1.14 K(o=1.1,f=-0.034) USER MOD Single : A 56 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.979 16.796 -11.568 1.00 0.00 N ATOM 2 CA GLY A 1 10.366 15.531 -11.124 1.00 0.00 C ATOM 3 C GLY A 1 10.863 15.174 -9.732 1.00 0.00 C ATOM 4 O GLY A 1 11.443 16.025 -9.063 1.00 0.00 O ATOM 0 H1 GLY A 1 10.295 17.331 -12.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.252 17.360 -10.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.823 16.591 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.280 15.626 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.613 14.732 -11.823 1.00 0.00 H new ATOM 8 N SER A 2 10.643 13.929 -9.305 1.00 0.00 N ATOM 9 CA SER A 2 11.223 13.342 -8.107 1.00 0.00 C ATOM 10 C SER A 2 11.343 11.833 -8.355 1.00 0.00 C ATOM 11 O SER A 2 10.919 11.349 -9.409 1.00 0.00 O ATOM 12 CB SER A 2 10.359 13.675 -6.882 1.00 0.00 C ATOM 13 OG SER A 2 11.027 13.302 -5.693 1.00 0.00 O ATOM 0 H SER A 2 10.033 13.283 -9.806 1.00 0.00 H new ATOM 0 HA SER A 2 12.212 13.749 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.139 14.742 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.404 13.153 -6.949 1.00 0.00 H new ATOM 0 HG SER A 2 10.466 13.521 -4.920 1.00 0.00 H new ATOM 19 N HIS A 3 11.922 11.103 -7.400 1.00 0.00 N ATOM 20 CA HIS A 3 12.276 9.697 -7.529 1.00 0.00 C ATOM 21 C HIS A 3 11.836 8.976 -6.256 1.00 0.00 C ATOM 22 O HIS A 3 12.378 9.238 -5.184 1.00 0.00 O ATOM 23 CB HIS A 3 13.787 9.555 -7.785 1.00 0.00 C ATOM 24 CG HIS A 3 14.306 10.419 -8.913 1.00 0.00 C ATOM 25 ND1 HIS A 3 15.268 11.399 -8.798 1.00 0.00 N ATOM 26 CD2 HIS A 3 13.865 10.421 -10.210 1.00 0.00 C ATOM 27 CE1 HIS A 3 15.402 11.976 -10.005 1.00 0.00 C ATOM 28 NE2 HIS A 3 14.565 11.420 -10.894 1.00 0.00 N ATOM 0 H HIS A 3 12.163 11.491 -6.488 1.00 0.00 H new ATOM 0 HA HIS A 3 11.768 9.244 -8.381 1.00 0.00 H new ATOM 0 HB2 HIS A 3 14.325 9.808 -6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.010 8.512 -8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.113 9.769 -10.629 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.090 12.778 -10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.460 11.676 -11.876 1.00 0.00 H new ATOM 36 N MET A 4 10.816 8.122 -6.375 1.00 0.00 N ATOM 37 CA MET A 4 10.319 7.250 -5.319 1.00 0.00 C ATOM 38 C MET A 4 9.689 6.056 -6.045 1.00 0.00 C ATOM 39 O MET A 4 8.608 6.190 -6.622 1.00 0.00 O ATOM 40 CB MET A 4 9.316 8.017 -4.434 1.00 0.00 C ATOM 41 CG MET A 4 9.145 7.393 -3.043 1.00 0.00 C ATOM 42 SD MET A 4 10.562 7.518 -1.906 1.00 0.00 S ATOM 43 CE MET A 4 10.856 9.306 -1.846 1.00 0.00 C ATOM 0 H MET A 4 10.296 8.019 -7.246 1.00 0.00 H new ATOM 0 HA MET A 4 11.101 6.906 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.651 9.048 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.348 8.048 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.284 7.860 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.905 6.338 -3.172 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.518 9.538 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.320 9.630 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.908 9.826 -1.713 1.00 0.00 H new ATOM 53 N ALA A 5 10.425 4.949 -6.153 1.00 0.00 N ATOM 54 CA ALA A 5 10.168 3.832 -7.043 1.00 0.00 C ATOM 55 C ALA A 5 10.572 2.469 -6.474 1.00 0.00 C ATOM 56 O ALA A 5 10.885 1.538 -7.217 1.00 0.00 O ATOM 57 CB ALA A 5 10.898 4.111 -8.360 1.00 0.00 C ATOM 0 H ALA A 5 11.262 4.807 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 5 9.090 3.759 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.725 3.288 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.522 5.037 -8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.967 4.207 -8.170 1.00 0.00 H new ATOM 63 N GLU A 6 10.633 2.374 -5.153 1.00 0.00 N ATOM 64 CA GLU A 6 11.353 1.309 -4.472 1.00 0.00 C ATOM 65 C GLU A 6 10.461 0.071 -4.307 1.00 0.00 C ATOM 66 O GLU A 6 9.235 0.199 -4.288 1.00 0.00 O ATOM 67 CB GLU A 6 11.870 1.829 -3.118 1.00 0.00 C ATOM 68 CG GLU A 6 12.897 2.968 -3.292 1.00 0.00 C ATOM 69 CD GLU A 6 12.279 4.268 -3.810 1.00 0.00 C ATOM 70 OE1 GLU A 6 11.146 4.592 -3.395 1.00 0.00 O ATOM 71 OE2 GLU A 6 12.847 4.859 -4.755 1.00 0.00 O ATOM 0 H GLU A 6 10.182 3.037 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 6 12.210 1.004 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.030 2.186 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.328 1.009 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.381 3.161 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.675 2.643 -3.983 1.00 0.00 H new ATOM 78 N PRO A 7 11.051 -1.130 -4.147 1.00 0.00 N ATOM 79 CA PRO A 7 10.300 -2.323 -3.783 1.00 0.00 C ATOM 80 C PRO A 7 9.726 -2.169 -2.370 1.00 0.00 C ATOM 81 O PRO A 7 10.096 -1.272 -1.607 1.00 0.00 O ATOM 82 CB PRO A 7 11.290 -3.482 -3.932 1.00 0.00 C ATOM 83 CG PRO A 7 12.639 -2.832 -3.636 1.00 0.00 C ATOM 84 CD PRO A 7 12.477 -1.426 -4.213 1.00 0.00 C ATOM 0 HA PRO A 7 9.431 -2.503 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.071 -4.290 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.261 -3.910 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.849 -2.808 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.459 -3.371 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.054 -0.700 -3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 7 12.838 -1.381 -5.240 1.00 0.00 H new ATOM 92 N GLN A 8 8.845 -3.099 -2.000 1.00 0.00 N ATOM 93 CA GLN A 8 7.921 -3.055 -0.895 1.00 0.00 C ATOM 94 C GLN A 8 7.011 -1.822 -0.934 1.00 0.00 C ATOM 95 O GLN A 8 5.809 -2.009 -1.081 1.00 0.00 O ATOM 96 CB GLN A 8 8.673 -3.269 0.415 1.00 0.00 C ATOM 97 CG GLN A 8 8.838 -4.741 0.826 1.00 0.00 C ATOM 98 CD GLN A 8 9.679 -5.589 -0.131 1.00 0.00 C ATOM 99 OE1 GLN A 8 9.355 -6.740 -0.402 1.00 0.00 O ATOM 100 NE2 GLN A 8 10.775 -5.064 -0.662 1.00 0.00 N ATOM 0 H GLN A 8 8.763 -3.973 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 8 7.216 -3.882 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.661 -2.817 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.148 -2.740 1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.293 -4.777 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.849 -5.191 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.043 -4.106 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.350 -5.618 -1.297 1.00 0.00 H new ATOM 109 N ARG A 9 7.531 -0.602 -0.746 1.00 0.00 N ATOM 110 CA ARG A 9 6.788 0.662 -0.686 1.00 0.00 C ATOM 111 C ARG A 9 5.899 0.872 -1.921 1.00 0.00 C ATOM 112 O ARG A 9 6.312 1.491 -2.900 1.00 0.00 O ATOM 113 CB ARG A 9 7.773 1.825 -0.477 1.00 0.00 C ATOM 114 CG ARG A 9 7.081 3.091 0.006 1.00 0.00 C ATOM 115 CD ARG A 9 7.053 3.238 1.532 1.00 0.00 C ATOM 116 NE ARG A 9 6.496 4.533 1.952 1.00 0.00 N ATOM 117 CZ ARG A 9 6.338 4.934 3.223 1.00 0.00 C ATOM 118 NH1 ARG A 9 6.680 4.159 4.252 1.00 0.00 N ATOM 119 NH2 ARG A 9 5.827 6.141 3.468 1.00 0.00 N ATOM 0 H ARG A 9 8.534 -0.464 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 9 6.107 0.624 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.531 1.529 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.291 2.032 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.586 3.956 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.058 3.100 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.460 2.432 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.065 3.134 1.925 1.00 0.00 H new ATOM 0 HE ARG A 9 6.206 5.179 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.074 3.233 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.548 4.492 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.561 6.749 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.702 6.456 4.430 1.00 0.00 H new ATOM 133 N HIS A 10 4.659 0.389 -1.867 1.00 0.00 N ATOM 134 CA HIS A 10 3.762 0.282 -3.008 1.00 0.00 C ATOM 135 C HIS A 10 2.425 0.923 -2.643 1.00 0.00 C ATOM 136 O HIS A 10 1.880 0.675 -1.569 1.00 0.00 O ATOM 137 CB HIS A 10 3.586 -1.192 -3.420 1.00 0.00 C ATOM 138 CG HIS A 10 4.836 -1.907 -3.902 1.00 0.00 C ATOM 139 ND1 HIS A 10 5.107 -3.251 -3.765 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.957 -1.340 -4.445 1.00 0.00 C ATOM 141 CE1 HIS A 10 6.351 -3.476 -4.215 1.00 0.00 C ATOM 142 NE2 HIS A 10 6.904 -2.344 -4.658 1.00 0.00 N ATOM 0 H HIS A 10 4.241 0.052 -1.000 1.00 0.00 H new ATOM 0 HA HIS A 10 4.185 0.807 -3.864 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.185 -1.740 -2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.837 -1.240 -4.211 1.00 0.00 H new ATOM 0 HD1 HIS A 10 4.472 -3.954 -3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.087 -0.292 -4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.838 -4.440 -4.218 1.00 0.00 H new ATOM 150 N LYS A 11 1.898 1.760 -3.540 1.00 0.00 N ATOM 151 CA LYS A 11 0.646 2.480 -3.353 1.00 0.00 C ATOM 152 C LYS A 11 -0.445 1.822 -4.192 1.00 0.00 C ATOM 153 O LYS A 11 -0.565 2.104 -5.383 1.00 0.00 O ATOM 154 CB LYS A 11 0.856 3.950 -3.721 1.00 0.00 C ATOM 155 CG LYS A 11 1.800 4.673 -2.741 1.00 0.00 C ATOM 156 CD LYS A 11 3.062 5.227 -3.419 1.00 0.00 C ATOM 157 CE LYS A 11 2.883 6.657 -3.944 1.00 0.00 C ATOM 158 NZ LYS A 11 1.817 6.803 -4.961 1.00 0.00 N ATOM 0 H LYS A 11 2.344 1.957 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 11 0.327 2.440 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.265 4.014 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.108 4.459 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.261 5.492 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.093 3.982 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.888 5.208 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.339 4.574 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.660 7.315 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.827 6.995 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.076 7.556 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.703 5.906 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.922 7.050 -4.493 1.00 0.00 H new ATOM 172 N ILE A 12 -1.215 0.921 -3.580 1.00 0.00 N ATOM 173 CA ILE A 12 -2.282 0.183 -4.248 1.00 0.00 C ATOM 174 C ILE A 12 -3.571 0.938 -3.950 1.00 0.00 C ATOM 175 O ILE A 12 -4.118 0.800 -2.861 1.00 0.00 O ATOM 176 CB ILE A 12 -2.367 -1.273 -3.739 1.00 0.00 C ATOM 177 CG1 ILE A 12 -1.005 -2.004 -3.775 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.424 -2.029 -4.570 1.00 0.00 C ATOM 179 CD1 ILE A 12 -1.025 -3.268 -2.914 1.00 0.00 C ATOM 0 H ILE A 12 -1.112 0.682 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.097 0.119 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.662 -1.249 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.759 -2.267 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.222 -1.334 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.493 -3.059 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.392 -1.541 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.134 -2.022 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.052 -3.757 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.246 -3.001 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.792 -3.949 -3.285 1.00 0.00 H new ATOM 191 N LEU A 13 -4.062 1.778 -4.858 1.00 0.00 N ATOM 192 CA LEU A 13 -5.255 2.532 -4.576 1.00 0.00 C ATOM 193 C LEU A 13 -6.515 1.725 -4.872 1.00 0.00 C ATOM 194 O LEU A 13 -6.704 1.190 -5.961 1.00 0.00 O ATOM 195 CB LEU A 13 -5.159 3.988 -5.040 1.00 0.00 C ATOM 196 CG LEU A 13 -5.378 4.442 -6.485 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.720 4.025 -7.099 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.118 5.955 -6.505 1.00 0.00 C ATOM 0 H LEU A 13 -3.652 1.944 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.357 2.690 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.871 4.548 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.163 4.331 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.680 3.925 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.781 4.393 -8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.798 2.938 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.536 4.448 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.260 6.335 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.813 6.453 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.095 6.153 -6.184 1.00 0.00 H new ATOM 210 N CYS A 14 -7.347 1.620 -3.839 1.00 0.00 N ATOM 211 CA CYS A 14 -8.689 1.059 -3.842 1.00 0.00 C ATOM 212 C CYS A 14 -9.668 2.159 -3.383 1.00 0.00 C ATOM 213 O CYS A 14 -9.400 3.349 -3.570 1.00 0.00 O ATOM 214 CB CYS A 14 -8.692 -0.209 -2.970 1.00 0.00 C ATOM 215 SG CYS A 14 -10.163 -1.218 -3.309 1.00 0.00 S ATOM 0 H CYS A 14 -7.078 1.950 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.016 0.745 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.792 -0.792 -3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.670 0.068 -1.916 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.019 -1.076 -2.341 1.00 0.00 H new ATOM 221 N VAL A 15 -10.829 1.805 -2.825 1.00 0.00 N ATOM 222 CA VAL A 15 -11.831 2.771 -2.385 1.00 0.00 C ATOM 223 C VAL A 15 -12.413 2.384 -1.030 1.00 0.00 C ATOM 224 O VAL A 15 -12.378 1.219 -0.629 1.00 0.00 O ATOM 225 CB VAL A 15 -12.954 2.938 -3.436 1.00 0.00 C ATOM 226 CG1 VAL A 15 -12.448 3.686 -4.675 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.602 1.607 -3.850 1.00 0.00 C ATOM 0 H VAL A 15 -11.099 0.834 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.330 3.733 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.728 3.531 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.260 3.788 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.095 4.675 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.629 3.127 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.381 1.796 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.845 0.952 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.041 1.128 -2.975 1.00 0.00 H new ATOM 237 N CYS A 16 -13.002 3.377 -0.361 1.00 0.00 N ATOM 238 CA CYS A 16 -13.964 3.173 0.697 1.00 0.00 C ATOM 239 C CYS A 16 -15.201 2.541 0.073 1.00 0.00 C ATOM 240 O CYS A 16 -15.932 3.192 -0.668 1.00 0.00 O ATOM 241 CB CYS A 16 -14.326 4.503 1.361 1.00 0.00 C ATOM 242 SG CYS A 16 -15.511 4.226 2.705 1.00 0.00 S ATOM 0 H CYS A 16 -12.812 4.361 -0.552 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.547 2.525 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.427 4.980 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.753 5.182 0.623 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.136 5.335 2.968 1.00 0.00 H new ATOM 247 N CYS A 17 -15.441 1.280 0.405 1.00 0.00 N ATOM 248 CA CYS A 17 -16.487 0.421 -0.139 1.00 0.00 C ATOM 249 C CYS A 17 -17.912 0.984 0.017 1.00 0.00 C ATOM 250 O CYS A 17 -18.838 0.431 -0.574 1.00 0.00 O ATOM 251 CB CYS A 17 -16.369 -0.948 0.549 1.00 0.00 C ATOM 252 SG CYS A 17 -17.284 -2.207 -0.381 1.00 0.00 S ATOM 0 H CYS A 17 -14.876 0.799 1.105 1.00 0.00 H new ATOM 0 HA CYS A 17 -16.334 0.347 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.320 -1.234 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -16.757 -0.885 1.566 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.358 -1.677 -0.887 1.00 0.00 H new ATOM 258 N LYS A 18 -18.111 2.046 0.812 1.00 0.00 N ATOM 259 CA LYS A 18 -19.415 2.619 1.117 1.00 0.00 C ATOM 260 C LYS A 18 -19.580 4.092 0.727 1.00 0.00 C ATOM 261 O LYS A 18 -20.720 4.539 0.645 1.00 0.00 O ATOM 262 CB LYS A 18 -19.751 2.340 2.585 1.00 0.00 C ATOM 263 CG LYS A 18 -18.659 2.707 3.604 1.00 0.00 C ATOM 264 CD LYS A 18 -19.022 2.329 5.048 1.00 0.00 C ATOM 265 CE LYS A 18 -19.398 0.846 5.195 1.00 0.00 C ATOM 266 NZ LYS A 18 -19.381 0.407 6.604 1.00 0.00 N ATOM 0 H LYS A 18 -17.343 2.538 1.269 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.147 2.122 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.658 2.887 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.978 1.279 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.731 2.207 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.470 3.779 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.178 2.552 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.856 2.946 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.391 0.681 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.703 0.237 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.640 -0.599 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.428 0.540 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.063 0.970 7.151 1.00 0.00 H new ATOM 280 N CYS A 19 -18.503 4.833 0.429 1.00 0.00 N ATOM 281 CA CYS A 19 -18.577 6.172 -0.133 1.00 0.00 C ATOM 282 C CYS A 19 -17.777 6.343 -1.435 1.00 0.00 C ATOM 283 O CYS A 19 -17.722 7.452 -1.959 1.00 0.00 O ATOM 284 CB CYS A 19 -18.143 7.167 0.940 1.00 0.00 C ATOM 285 SG CYS A 19 -16.386 7.218 1.370 1.00 0.00 S ATOM 0 H CYS A 19 -17.548 4.507 0.577 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.609 6.362 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.438 8.164 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.705 6.949 1.848 1.00 0.00 H new ATOM 290 N ASP A 20 -17.157 5.269 -1.945 1.00 0.00 N ATOM 291 CA ASP A 20 -16.308 5.202 -3.141 1.00 0.00 C ATOM 292 C ASP A 20 -15.089 6.140 -3.087 1.00 0.00 C ATOM 293 O ASP A 20 -14.434 6.393 -4.099 1.00 0.00 O ATOM 294 CB ASP A 20 -17.166 5.362 -4.405 1.00 0.00 C ATOM 295 CG ASP A 20 -16.417 4.952 -5.681 1.00 0.00 C ATOM 296 OD1 ASP A 20 -15.834 3.842 -5.671 1.00 0.00 O ATOM 297 OD2 ASP A 20 -16.469 5.723 -6.664 1.00 0.00 O ATOM 0 H ASP A 20 -17.243 4.356 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.858 4.210 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.068 4.757 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.486 6.400 -4.494 1.00 0.00 H new ATOM 302 N GLY A 21 -14.737 6.650 -1.897 1.00 0.00 N ATOM 303 CA GLY A 21 -13.658 7.630 -1.809 1.00 0.00 C ATOM 304 C GLY A 21 -12.327 6.922 -1.852 1.00 0.00 C ATOM 305 O GLY A 21 -12.178 5.806 -1.358 1.00 0.00 O ATOM 0 H GLY A 21 -15.173 6.405 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.730 8.340 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.747 8.202 -0.886 1.00 0.00 H new ATOM 309 N ARG A 22 -11.349 7.591 -2.448 1.00 0.00 N ATOM 310 CA ARG A 22 -10.108 7.019 -2.852 1.00 0.00 C ATOM 311 C ARG A 22 -9.258 6.691 -1.648 1.00 0.00 C ATOM 312 O ARG A 22 -8.865 7.589 -0.905 1.00 0.00 O ATOM 313 CB ARG A 22 -9.431 7.995 -3.834 1.00 0.00 C ATOM 314 CG ARG A 22 -8.190 7.400 -4.505 1.00 0.00 C ATOM 315 CD ARG A 22 -8.363 5.935 -4.837 1.00 0.00 C ATOM 316 NE ARG A 22 -9.587 5.515 -5.557 1.00 0.00 N ATOM 317 CZ ARG A 22 -10.132 5.988 -6.688 1.00 0.00 C ATOM 318 NH1 ARG A 22 -9.480 6.870 -7.443 1.00 0.00 N ATOM 319 NH2 ARG A 22 -11.346 5.576 -7.059 1.00 0.00 N ATOM 0 H ARG A 22 -11.419 8.585 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.260 6.070 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.148 8.286 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.149 8.903 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.973 7.954 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.330 7.522 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.505 5.626 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.319 5.376 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.096 4.744 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.554 7.194 -7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.906 7.221 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.855 4.905 -6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.765 5.932 -7.918 1.00 0.00 H new ATOM 333 N ILE A 23 -8.943 5.404 -1.503 1.00 0.00 N ATOM 334 CA ILE A 23 -7.969 4.959 -0.541 1.00 0.00 C ATOM 335 C ILE A 23 -6.746 4.504 -1.320 1.00 0.00 C ATOM 336 O ILE A 23 -6.712 3.389 -1.830 1.00 0.00 O ATOM 337 CB ILE A 23 -8.526 3.853 0.374 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.770 4.322 1.159 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.387 3.458 1.324 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.418 3.200 1.977 1.00 0.00 C ATOM 0 H ILE A 23 -9.361 4.653 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.701 5.773 0.133 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.858 3.001 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.486 5.135 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.503 4.725 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.731 2.673 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.539 3.093 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.081 4.327 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.287 3.591 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.731 2.397 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.698 2.813 2.698 1.00 0.00 H new ATOM 352 N GLU A 24 -5.733 5.359 -1.390 1.00 0.00 N ATOM 353 CA GLU A 24 -4.393 4.961 -1.777 1.00 0.00 C ATOM 354 C GLU A 24 -3.767 4.129 -0.645 1.00 0.00 C ATOM 355 O GLU A 24 -3.268 4.686 0.335 1.00 0.00 O ATOM 356 CB GLU A 24 -3.633 6.217 -2.231 1.00 0.00 C ATOM 357 CG GLU A 24 -2.129 5.975 -2.387 1.00 0.00 C ATOM 358 CD GLU A 24 -1.404 7.113 -3.117 1.00 0.00 C ATOM 359 OE1 GLU A 24 -1.535 8.274 -2.681 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.677 6.807 -4.093 1.00 0.00 O ATOM 0 H GLU A 24 -5.823 6.353 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.366 4.292 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.042 6.560 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.795 7.016 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.685 5.844 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.972 5.045 -2.933 1.00 0.00 H new ATOM 367 N LEU A 25 -3.828 2.788 -0.763 1.00 0.00 N ATOM 368 CA LEU A 25 -3.229 1.863 0.197 1.00 0.00 C ATOM 369 C LEU A 25 -1.709 1.939 0.019 1.00 0.00 C ATOM 370 O LEU A 25 -1.113 1.145 -0.712 1.00 0.00 O ATOM 371 CB LEU A 25 -3.724 0.398 0.065 1.00 0.00 C ATOM 372 CG LEU A 25 -5.247 0.191 -0.058 1.00 0.00 C ATOM 373 CD1 LEU A 25 -5.567 -1.208 -0.604 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.920 0.338 1.310 1.00 0.00 C ATOM 0 H LEU A 25 -4.300 2.321 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.536 2.168 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.249 -0.044 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.374 -0.159 0.934 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.625 0.948 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.647 -1.330 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.117 -1.326 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.164 -1.963 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.995 0.189 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.516 -0.406 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.729 1.336 1.704 1.00 0.00 H new ATOM 386 N THR A 26 -1.088 2.936 0.648 1.00 0.00 N ATOM 387 CA THR A 26 0.358 3.011 0.788 1.00 0.00 C ATOM 388 C THR A 26 0.768 1.908 1.760 1.00 0.00 C ATOM 389 O THR A 26 0.580 2.045 2.968 1.00 0.00 O ATOM 390 CB THR A 26 0.786 4.409 1.259 1.00 0.00 C ATOM 391 OG1 THR A 26 0.331 5.375 0.334 1.00 0.00 O ATOM 392 CG2 THR A 26 2.313 4.534 1.358 1.00 0.00 C ATOM 0 H THR A 26 -1.582 3.719 1.077 1.00 0.00 H new ATOM 0 HA THR A 26 0.861 2.858 -0.167 1.00 0.00 H new ATOM 0 HB THR A 26 0.352 4.569 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.602 6.268 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.575 5.537 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.693 3.802 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.757 4.352 0.379 1.00 0.00 H new ATOM 400 N VAL A 27 1.293 0.808 1.222 1.00 0.00 N ATOM 401 CA VAL A 27 1.789 -0.330 1.982 1.00 0.00 C ATOM 402 C VAL A 27 3.280 -0.501 1.688 1.00 0.00 C ATOM 403 O VAL A 27 3.831 0.152 0.799 1.00 0.00 O ATOM 404 CB VAL A 27 0.958 -1.598 1.667 1.00 0.00 C ATOM 405 CG1 VAL A 27 -0.498 -1.431 2.129 1.00 0.00 C ATOM 406 CG2 VAL A 27 0.970 -1.995 0.180 1.00 0.00 C ATOM 0 H VAL A 27 1.386 0.684 0.214 1.00 0.00 H new ATOM 0 HA VAL A 27 1.675 -0.156 3.052 1.00 0.00 H new ATOM 0 HB VAL A 27 1.442 -2.402 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.060 -2.336 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.521 -1.257 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.948 -0.582 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.367 -2.892 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.558 -1.182 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.994 -2.193 -0.135 1.00 0.00 H new ATOM 416 N GLU A 28 3.935 -1.408 2.410 1.00 0.00 N ATOM 417 CA GLU A 28 5.250 -1.913 2.062 1.00 0.00 C ATOM 418 C GLU A 28 5.075 -3.421 1.903 1.00 0.00 C ATOM 419 O GLU A 28 5.107 -4.153 2.890 1.00 0.00 O ATOM 420 CB GLU A 28 6.302 -1.529 3.105 1.00 0.00 C ATOM 421 CG GLU A 28 6.878 -0.144 2.806 1.00 0.00 C ATOM 422 CD GLU A 28 7.726 0.449 3.932 1.00 0.00 C ATOM 423 OE1 GLU A 28 8.526 -0.299 4.532 1.00 0.00 O ATOM 424 OE2 GLU A 28 7.584 1.676 4.146 1.00 0.00 O ATOM 0 H GLU A 28 3.556 -1.815 3.265 1.00 0.00 H new ATOM 0 HA GLU A 28 5.627 -1.473 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.855 -1.536 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.103 -2.268 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.487 -0.205 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.056 0.538 2.590 1.00 0.00 H new ATOM 431 N SER A 29 4.817 -3.871 0.673 1.00 0.00 N ATOM 432 CA SER A 29 4.428 -5.241 0.378 1.00 0.00 C ATOM 433 C SER A 29 5.244 -5.747 -0.792 1.00 0.00 C ATOM 434 O SER A 29 5.315 -5.095 -1.830 1.00 0.00 O ATOM 435 CB SER A 29 2.963 -5.288 -0.031 1.00 0.00 C ATOM 436 OG SER A 29 2.096 -5.303 1.079 1.00 0.00 O ATOM 0 H SER A 29 4.875 -3.279 -0.156 1.00 0.00 H new ATOM 0 HA SER A 29 4.593 -5.851 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.735 -4.424 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.786 -6.176 -0.639 1.00 0.00 H new ATOM 0 HG SER A 29 2.000 -6.222 1.407 1.00 0.00 H new ATOM 442 N SER A 30 5.823 -6.932 -0.644 1.00 0.00 N ATOM 443 CA SER A 30 6.545 -7.598 -1.721 1.00 0.00 C ATOM 444 C SER A 30 5.585 -7.897 -2.876 1.00 0.00 C ATOM 445 O SER A 30 4.370 -7.936 -2.676 1.00 0.00 O ATOM 446 CB SER A 30 7.155 -8.901 -1.188 1.00 0.00 C ATOM 447 OG SER A 30 7.852 -8.673 0.019 1.00 0.00 O ATOM 0 H SER A 30 5.805 -7.460 0.229 1.00 0.00 H new ATOM 0 HA SER A 30 7.343 -6.951 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.367 -9.636 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.833 -9.321 -1.931 1.00 0.00 H new ATOM 0 HG SER A 30 8.222 -7.766 0.017 1.00 0.00 H new ATOM 453 N ALA A 31 6.123 -8.165 -4.072 1.00 0.00 N ATOM 454 CA ALA A 31 5.319 -8.394 -5.271 1.00 0.00 C ATOM 455 C ALA A 31 4.239 -9.451 -5.050 1.00 0.00 C ATOM 456 O ALA A 31 3.107 -9.279 -5.493 1.00 0.00 O ATOM 457 CB ALA A 31 6.225 -8.836 -6.423 1.00 0.00 C ATOM 0 H ALA A 31 7.128 -8.228 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 31 4.823 -7.454 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.622 -9.006 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.962 -8.059 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.737 -9.759 -6.150 1.00 0.00 H new ATOM 463 N GLU A 32 4.586 -10.542 -4.367 1.00 0.00 N ATOM 464 CA GLU A 32 3.681 -11.661 -4.186 1.00 0.00 C ATOM 465 C GLU A 32 2.591 -11.362 -3.152 1.00 0.00 C ATOM 466 O GLU A 32 1.452 -11.796 -3.328 1.00 0.00 O ATOM 467 CB GLU A 32 4.494 -12.903 -3.809 1.00 0.00 C ATOM 468 CG GLU A 32 3.911 -14.113 -4.544 1.00 0.00 C ATOM 469 CD GLU A 32 4.642 -15.412 -4.203 1.00 0.00 C ATOM 470 OE1 GLU A 32 4.548 -15.837 -3.031 1.00 0.00 O ATOM 471 OE2 GLU A 32 5.277 -15.962 -5.130 1.00 0.00 O ATOM 0 H GLU A 32 5.498 -10.668 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 32 3.158 -11.845 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.541 -12.765 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.461 -13.064 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.856 -14.216 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.964 -13.941 -5.619 1.00 0.00 H new ATOM 478 N ASP A 33 2.905 -10.582 -2.110 1.00 0.00 N ATOM 479 CA ASP A 33 1.921 -10.079 -1.160 1.00 0.00 C ATOM 480 C ASP A 33 0.995 -9.090 -1.864 1.00 0.00 C ATOM 481 O ASP A 33 -0.225 -9.205 -1.768 1.00 0.00 O ATOM 482 CB ASP A 33 2.607 -9.422 0.045 1.00 0.00 C ATOM 483 CG ASP A 33 1.572 -8.853 1.021 1.00 0.00 C ATOM 484 OD1 ASP A 33 0.737 -9.649 1.499 1.00 0.00 O ATOM 485 OD2 ASP A 33 1.631 -7.625 1.271 1.00 0.00 O ATOM 0 H ASP A 33 3.859 -10.283 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 33 1.331 -10.915 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.231 -10.154 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.267 -8.625 -0.297 1.00 0.00 H new ATOM 490 N LEU A 34 1.575 -8.172 -2.650 1.00 0.00 N ATOM 491 CA LEU A 34 0.828 -7.205 -3.448 1.00 0.00 C ATOM 492 C LEU A 34 -0.114 -7.929 -4.405 1.00 0.00 C ATOM 493 O LEU A 34 -1.269 -7.526 -4.534 1.00 0.00 O ATOM 494 CB LEU A 34 1.798 -6.262 -4.181 1.00 0.00 C ATOM 495 CG LEU A 34 1.100 -5.274 -5.147 1.00 0.00 C ATOM 496 CD1 LEU A 34 1.863 -3.943 -5.167 1.00 0.00 C ATOM 497 CD2 LEU A 34 1.033 -5.792 -6.593 1.00 0.00 C ATOM 0 H LEU A 34 2.587 -8.084 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 34 0.211 -6.589 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.365 -5.694 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.515 -6.860 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 34 0.082 -5.153 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.369 -3.250 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.878 -3.517 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.885 -4.115 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.533 -5.055 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.043 -5.961 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.476 -6.728 -6.619 1.00 0.00 H new ATOM 509 N ARG A 35 0.365 -8.989 -5.067 1.00 0.00 N ATOM 510 CA ARG A 35 -0.414 -9.828 -5.970 1.00 0.00 C ATOM 511 C ARG A 35 -1.531 -10.502 -5.194 1.00 0.00 C ATOM 512 O ARG A 35 -2.681 -10.421 -5.611 1.00 0.00 O ATOM 513 CB ARG A 35 0.491 -10.881 -6.627 1.00 0.00 C ATOM 514 CG ARG A 35 -0.223 -11.720 -7.696 1.00 0.00 C ATOM 515 CD ARG A 35 0.705 -12.834 -8.192 1.00 0.00 C ATOM 516 NE ARG A 35 0.026 -13.707 -9.165 1.00 0.00 N ATOM 517 CZ ARG A 35 0.465 -14.900 -9.592 1.00 0.00 C ATOM 518 NH1 ARG A 35 1.614 -15.408 -9.141 1.00 0.00 N ATOM 519 NH2 ARG A 35 -0.256 -15.589 -10.479 1.00 0.00 N ATOM 0 H ARG A 35 1.336 -9.291 -4.983 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.847 -9.209 -6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.347 -10.381 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.881 -11.545 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.135 -12.152 -7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.521 -11.085 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.590 -12.394 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.047 -13.428 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.858 -13.374 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.170 -14.888 -8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.936 -16.317 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.135 -15.208 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.072 -16.497 -10.808 1.00 0.00 H new ATOM 533 N THR A 36 -1.196 -11.188 -4.105 1.00 0.00 N ATOM 534 CA THR A 36 -2.143 -11.960 -3.310 1.00 0.00 C ATOM 535 C THR A 36 -3.253 -11.048 -2.789 1.00 0.00 C ATOM 536 O THR A 36 -4.434 -11.334 -3.006 1.00 0.00 O ATOM 537 CB THR A 36 -1.403 -12.683 -2.173 1.00 0.00 C ATOM 538 OG1 THR A 36 -0.358 -13.466 -2.714 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.324 -13.618 -1.383 1.00 0.00 C ATOM 0 H THR A 36 -0.242 -11.223 -3.745 1.00 0.00 H new ATOM 0 HA THR A 36 -2.613 -12.722 -3.932 1.00 0.00 H new ATOM 0 HB THR A 36 -1.023 -11.914 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.431 -12.903 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.755 -14.105 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.137 -13.041 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.736 -14.374 -2.052 1.00 0.00 H new ATOM 547 N LEU A 37 -2.891 -9.923 -2.157 1.00 0.00 N ATOM 548 CA LEU A 37 -3.889 -8.982 -1.665 1.00 0.00 C ATOM 549 C LEU A 37 -4.647 -8.343 -2.831 1.00 0.00 C ATOM 550 O LEU A 37 -5.835 -8.061 -2.677 1.00 0.00 O ATOM 551 CB LEU A 37 -3.284 -7.988 -0.652 1.00 0.00 C ATOM 552 CG LEU A 37 -2.627 -6.709 -1.216 1.00 0.00 C ATOM 553 CD1 LEU A 37 -3.651 -5.571 -1.373 1.00 0.00 C ATOM 554 CD2 LEU A 37 -1.515 -6.226 -0.275 1.00 0.00 C ATOM 0 H LEU A 37 -1.924 -9.650 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.643 -9.521 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.074 -7.686 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.536 -8.520 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.218 -6.961 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.154 -4.687 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.440 -5.883 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.085 -5.336 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.059 -5.324 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.938 -6.007 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.757 -7.003 -0.178 1.00 0.00 H new ATOM 566 N GLN A 38 -4.023 -8.211 -4.016 1.00 0.00 N ATOM 567 CA GLN A 38 -4.731 -7.814 -5.226 1.00 0.00 C ATOM 568 C GLN A 38 -5.886 -8.773 -5.471 1.00 0.00 C ATOM 569 O GLN A 38 -7.008 -8.327 -5.687 1.00 0.00 O ATOM 570 CB GLN A 38 -3.845 -7.821 -6.486 1.00 0.00 C ATOM 571 CG GLN A 38 -4.090 -6.593 -7.350 1.00 0.00 C ATOM 572 CD GLN A 38 -3.483 -5.295 -6.794 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.846 -4.213 -7.233 1.00 0.00 O ATOM 574 NE2 GLN A 38 -2.553 -5.342 -5.842 1.00 0.00 N ATOM 0 H GLN A 38 -3.026 -8.376 -4.151 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.071 -6.792 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.796 -7.857 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.045 -8.721 -7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.680 -6.775 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.165 -6.456 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.247 -6.242 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.147 -4.478 -5.482 1.00 0.00 H new ATOM 583 N GLN A 39 -5.602 -10.084 -5.452 1.00 0.00 N ATOM 584 CA GLN A 39 -6.602 -11.088 -5.765 1.00 0.00 C ATOM 585 C GLN A 39 -7.736 -11.018 -4.743 1.00 0.00 C ATOM 586 O GLN A 39 -8.900 -11.122 -5.115 1.00 0.00 O ATOM 587 CB GLN A 39 -6.054 -12.511 -5.788 1.00 0.00 C ATOM 588 CG GLN A 39 -4.753 -12.756 -6.546 1.00 0.00 C ATOM 589 CD GLN A 39 -4.642 -12.086 -7.913 1.00 0.00 C ATOM 590 OE1 GLN A 39 -5.336 -12.433 -8.859 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.720 -11.142 -8.043 1.00 0.00 N ATOM 0 H GLN A 39 -4.684 -10.463 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.956 -10.862 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.907 -12.831 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.819 -13.159 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.924 -12.413 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.629 -13.831 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.153 -10.869 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.578 -10.689 -8.946 1.00 0.00 H new ATOM 600 N LEU A 40 -7.401 -10.831 -3.458 1.00 0.00 N ATOM 601 CA LEU A 40 -8.393 -10.708 -2.392 1.00 0.00 C ATOM 602 C LEU A 40 -9.292 -9.491 -2.612 1.00 0.00 C ATOM 603 O LEU A 40 -10.514 -9.637 -2.538 1.00 0.00 O ATOM 604 CB LEU A 40 -7.720 -10.639 -1.012 1.00 0.00 C ATOM 605 CG LEU A 40 -7.003 -11.937 -0.591 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.263 -11.697 0.730 1.00 0.00 C ATOM 607 CD2 LEU A 40 -7.978 -13.111 -0.422 1.00 0.00 C ATOM 0 H LEU A 40 -6.436 -10.762 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.017 -11.601 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.998 -9.823 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.475 -10.396 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.303 -12.202 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.754 -12.612 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.531 -10.901 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.978 -11.408 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.426 -14.003 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.712 -12.867 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.489 -13.298 -1.366 1.00 0.00 H new ATOM 619 N PHE A 41 -8.713 -8.312 -2.881 1.00 0.00 N ATOM 620 CA PHE A 41 -9.488 -7.099 -3.149 1.00 0.00 C ATOM 621 C PHE A 41 -10.282 -7.212 -4.460 1.00 0.00 C ATOM 622 O PHE A 41 -11.390 -6.693 -4.549 1.00 0.00 O ATOM 623 CB PHE A 41 -8.584 -5.855 -3.148 1.00 0.00 C ATOM 624 CG PHE A 41 -8.382 -5.181 -1.794 1.00 0.00 C ATOM 625 CD1 PHE A 41 -7.358 -5.593 -0.919 1.00 0.00 C ATOM 626 CD2 PHE A 41 -9.181 -4.077 -1.432 1.00 0.00 C ATOM 627 CE1 PHE A 41 -7.106 -4.890 0.271 1.00 0.00 C ATOM 628 CE2 PHE A 41 -8.920 -3.362 -0.249 1.00 0.00 C ATOM 629 CZ PHE A 41 -7.873 -3.761 0.596 1.00 0.00 C ATOM 0 H PHE A 41 -7.703 -8.176 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.212 -6.987 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.608 -6.139 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.005 -5.123 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.760 -6.458 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.001 -3.778 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.321 -5.219 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.526 -2.506 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.658 -3.201 1.494 1.00 0.00 H new ATOM 639 N LEU A 42 -9.742 -7.904 -5.471 1.00 0.00 N ATOM 640 CA LEU A 42 -10.433 -8.201 -6.725 1.00 0.00 C ATOM 641 C LEU A 42 -11.610 -9.151 -6.486 1.00 0.00 C ATOM 642 O LEU A 42 -12.652 -9.007 -7.120 1.00 0.00 O ATOM 643 CB LEU A 42 -9.398 -8.767 -7.718 1.00 0.00 C ATOM 644 CG LEU A 42 -9.939 -9.177 -9.104 1.00 0.00 C ATOM 645 CD1 LEU A 42 -8.832 -8.998 -10.153 1.00 0.00 C ATOM 646 CD2 LEU A 42 -10.391 -10.647 -9.150 1.00 0.00 C ATOM 0 H LEU A 42 -8.794 -8.279 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.866 -7.296 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.617 -8.020 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.926 -9.638 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.801 -8.542 -9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.210 -9.287 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.519 -7.954 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.980 -9.626 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.763 -10.882 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.546 -11.295 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.185 -10.807 -8.420 1.00 0.00 H new ATOM 658 N SER A 43 -11.436 -10.131 -5.593 1.00 0.00 N ATOM 659 CA SER A 43 -12.421 -11.143 -5.254 1.00 0.00 C ATOM 660 C SER A 43 -13.581 -10.549 -4.461 1.00 0.00 C ATOM 661 O SER A 43 -14.725 -10.579 -4.912 1.00 0.00 O ATOM 662 CB SER A 43 -11.721 -12.247 -4.439 1.00 0.00 C ATOM 663 OG SER A 43 -12.632 -13.166 -3.855 1.00 0.00 O ATOM 0 H SER A 43 -10.567 -10.238 -5.070 1.00 0.00 H new ATOM 0 HA SER A 43 -12.839 -11.558 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.032 -12.789 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.123 -11.787 -3.652 1.00 0.00 H new ATOM 0 HG SER A 43 -12.823 -12.896 -2.932 1.00 0.00 H new ATOM 669 N THR A 44 -13.286 -10.118 -3.233 1.00 0.00 N ATOM 670 CA THR A 44 -14.262 -9.949 -2.178 1.00 0.00 C ATOM 671 C THR A 44 -13.883 -8.910 -1.124 1.00 0.00 C ATOM 672 O THR A 44 -14.764 -8.230 -0.599 1.00 0.00 O ATOM 673 CB THR A 44 -14.491 -11.308 -1.479 1.00 0.00 C ATOM 674 OG1 THR A 44 -13.301 -12.083 -1.405 1.00 0.00 O ATOM 675 CG2 THR A 44 -15.560 -12.150 -2.170 1.00 0.00 C ATOM 0 H THR A 44 -12.338 -9.874 -2.948 1.00 0.00 H new ATOM 0 HA THR A 44 -15.167 -9.580 -2.661 1.00 0.00 H new ATOM 0 HB THR A 44 -14.826 -11.052 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.491 -12.932 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.680 -13.094 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.506 -11.609 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.258 -12.349 -3.198 1.00 0.00 H new ATOM 683 N LEU A 45 -12.599 -8.811 -0.775 1.00 0.00 N ATOM 684 CA LEU A 45 -12.122 -7.871 0.234 1.00 0.00 C ATOM 685 C LEU A 45 -12.316 -6.435 -0.268 1.00 0.00 C ATOM 686 O LEU A 45 -12.230 -6.154 -1.463 1.00 0.00 O ATOM 687 CB LEU A 45 -10.650 -8.188 0.562 1.00 0.00 C ATOM 688 CG LEU A 45 -9.999 -7.323 1.660 1.00 0.00 C ATOM 689 CD1 LEU A 45 -10.724 -7.429 3.009 1.00 0.00 C ATOM 690 CD2 LEU A 45 -8.544 -7.774 1.847 1.00 0.00 C ATOM 0 H LEU A 45 -11.861 -9.383 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.696 -7.970 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.583 -9.233 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.064 -8.082 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.059 -6.284 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.221 -6.799 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.756 -7.099 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.710 -8.464 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.072 -7.169 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.523 -8.823 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.001 -7.651 0.910 1.00 0.00 H new ATOM 702 N SER A 46 -12.571 -5.496 0.638 1.00 0.00 N ATOM 703 CA SER A 46 -12.517 -4.061 0.396 1.00 0.00 C ATOM 704 C SER A 46 -12.389 -3.377 1.754 1.00 0.00 C ATOM 705 O SER A 46 -12.533 -4.027 2.792 1.00 0.00 O ATOM 706 CB SER A 46 -13.753 -3.599 -0.385 1.00 0.00 C ATOM 707 OG SER A 46 -13.653 -4.040 -1.723 1.00 0.00 O ATOM 0 H SER A 46 -12.831 -5.724 1.598 1.00 0.00 H new ATOM 0 HA SER A 46 -11.659 -3.795 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.657 -3.998 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.832 -2.512 -0.353 1.00 0.00 H new ATOM 0 HG SER A 46 -12.851 -4.593 -1.826 1.00 0.00 H new ATOM 713 N PHE A 47 -12.080 -2.080 1.750 1.00 0.00 N ATOM 714 CA PHE A 47 -11.747 -1.283 2.914 1.00 0.00 C ATOM 715 C PHE A 47 -12.755 -0.134 3.001 1.00 0.00 C ATOM 716 O PHE A 47 -13.584 0.066 2.111 1.00 0.00 O ATOM 717 CB PHE A 47 -10.294 -0.779 2.764 1.00 0.00 C ATOM 718 CG PHE A 47 -9.183 -1.625 3.378 1.00 0.00 C ATOM 719 CD1 PHE A 47 -9.306 -3.016 3.593 1.00 0.00 C ATOM 720 CD2 PHE A 47 -7.981 -0.986 3.740 1.00 0.00 C ATOM 721 CE1 PHE A 47 -8.259 -3.739 4.194 1.00 0.00 C ATOM 722 CE2 PHE A 47 -6.933 -1.707 4.338 1.00 0.00 C ATOM 723 CZ PHE A 47 -7.075 -3.085 4.573 1.00 0.00 C ATOM 0 H PHE A 47 -12.056 -1.536 0.887 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.804 -1.860 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.084 -0.672 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.238 0.218 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.209 -3.527 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.863 0.072 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.366 -4.800 4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.020 -1.202 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.277 -3.640 5.043 1.00 0.00 H new ATOM 733 N VAL A 48 -12.678 0.634 4.083 1.00 0.00 N ATOM 734 CA VAL A 48 -13.447 1.820 4.349 1.00 0.00 C ATOM 735 C VAL A 48 -12.491 2.908 4.839 1.00 0.00 C ATOM 736 O VAL A 48 -11.474 2.601 5.464 1.00 0.00 O ATOM 737 CB VAL A 48 -14.566 1.500 5.349 1.00 0.00 C ATOM 738 CG1 VAL A 48 -15.631 0.589 4.719 1.00 0.00 C ATOM 739 CG2 VAL A 48 -14.101 0.870 6.668 1.00 0.00 C ATOM 0 H VAL A 48 -12.030 0.420 4.841 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.939 2.188 3.449 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.983 2.476 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.410 0.380 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.070 1.086 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.169 -0.347 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.965 0.682 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.591 -0.071 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.417 1.550 7.175 1.00 0.00 H new ATOM 749 N CYS A 49 -12.796 4.172 4.533 1.00 0.00 N ATOM 750 CA CYS A 49 -12.002 5.305 4.993 1.00 0.00 C ATOM 751 C CYS A 49 -12.290 5.558 6.483 1.00 0.00 C ATOM 752 O CYS A 49 -13.374 5.204 6.955 1.00 0.00 O ATOM 753 CB CYS A 49 -12.329 6.531 4.128 1.00 0.00 C ATOM 754 SG CYS A 49 -14.063 7.052 4.134 1.00 0.00 S ATOM 0 H CYS A 49 -13.599 4.434 3.961 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.937 5.096 4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.716 7.366 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.036 6.317 3.100 1.00 0.00 H new ATOM 759 N PRO A 50 -11.379 6.210 7.232 1.00 0.00 N ATOM 760 CA PRO A 50 -11.540 6.388 8.673 1.00 0.00 C ATOM 761 C PRO A 50 -12.755 7.251 9.042 1.00 0.00 C ATOM 762 O PRO A 50 -13.336 7.051 10.110 1.00 0.00 O ATOM 763 CB PRO A 50 -10.221 6.981 9.179 1.00 0.00 C ATOM 764 CG PRO A 50 -9.594 7.606 7.935 1.00 0.00 C ATOM 765 CD PRO A 50 -10.074 6.694 6.808 1.00 0.00 C ATOM 0 HA PRO A 50 -11.748 5.432 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.391 7.725 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.577 6.213 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.926 8.634 7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.506 7.628 8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.144 7.237 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.381 5.868 6.649 1.00 0.00 H new ATOM 773 N TRP A 51 -13.182 8.161 8.155 1.00 0.00 N ATOM 774 CA TRP A 51 -14.434 8.893 8.308 1.00 0.00 C ATOM 775 C TRP A 51 -15.602 7.909 8.388 1.00 0.00 C ATOM 776 O TRP A 51 -16.293 7.866 9.409 1.00 0.00 O ATOM 777 CB TRP A 51 -14.612 9.900 7.163 1.00 0.00 C ATOM 778 CG TRP A 51 -15.945 10.590 7.145 1.00 0.00 C ATOM 779 CD1 TRP A 51 -16.394 11.459 8.080 1.00 0.00 C ATOM 780 CD2 TRP A 51 -17.037 10.438 6.186 1.00 0.00 C ATOM 781 NE1 TRP A 51 -17.697 11.819 7.790 1.00 0.00 N ATOM 782 CE2 TRP A 51 -18.147 11.212 6.638 1.00 0.00 C ATOM 783 CE3 TRP A 51 -17.210 9.717 4.985 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -19.371 11.246 5.952 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -18.430 9.747 4.284 1.00 0.00 C ATOM 786 CH2 TRP A 51 -19.512 10.504 4.768 1.00 0.00 C ATOM 0 H TRP A 51 -12.663 8.406 7.312 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.409 9.462 9.237 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.828 10.654 7.233 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -14.472 9.381 6.214 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -15.822 11.817 8.924 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -18.256 12.455 8.359 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -16.390 9.131 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -20.194 11.835 6.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -18.536 9.185 3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -20.449 10.515 4.231 1.00 0.00 H new ATOM 797 N CYS A 52 -15.802 7.091 7.347 1.00 0.00 N ATOM 798 CA CYS A 52 -16.848 6.079 7.344 1.00 0.00 C ATOM 799 C CYS A 52 -16.664 5.105 8.507 1.00 0.00 C ATOM 800 O CYS A 52 -17.635 4.814 9.190 1.00 0.00 O ATOM 801 CB CYS A 52 -16.885 5.330 6.014 1.00 0.00 C ATOM 802 SG CYS A 52 -17.415 6.322 4.601 1.00 0.00 S ATOM 0 H CYS A 52 -15.245 7.117 6.493 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.804 6.587 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.891 4.933 5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.555 4.476 6.112 1.00 0.00 H new ATOM 807 N ALA A 53 -15.435 4.654 8.792 1.00 0.00 N ATOM 808 CA ALA A 53 -15.179 3.750 9.914 1.00 0.00 C ATOM 809 C ALA A 53 -15.611 4.351 11.261 1.00 0.00 C ATOM 810 O ALA A 53 -16.018 3.610 12.152 1.00 0.00 O ATOM 811 CB ALA A 53 -13.696 3.371 9.955 1.00 0.00 C ATOM 0 H ALA A 53 -14.603 4.903 8.258 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.781 2.856 9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.515 2.698 10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.422 2.873 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.094 4.271 10.076 1.00 0.00 H new ATOM 817 N THR A 54 -15.533 5.679 11.406 1.00 0.00 N ATOM 818 CA THR A 54 -15.972 6.393 12.602 1.00 0.00 C ATOM 819 C THR A 54 -17.499 6.579 12.611 1.00 0.00 C ATOM 820 O THR A 54 -18.106 6.546 13.679 1.00 0.00 O ATOM 821 CB THR A 54 -15.246 7.751 12.677 1.00 0.00 C ATOM 822 OG1 THR A 54 -13.847 7.577 12.553 1.00 0.00 O ATOM 823 CG2 THR A 54 -15.495 8.481 14.001 1.00 0.00 C ATOM 0 H THR A 54 -15.157 6.293 10.683 1.00 0.00 H new ATOM 0 HA THR A 54 -15.717 5.803 13.482 1.00 0.00 H new ATOM 0 HB THR A 54 -15.647 8.346 11.856 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.576 7.753 11.628 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.960 9.431 13.999 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.563 8.666 14.119 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.140 7.866 14.828 1.00 0.00 H new ATOM 831 N ASN A 55 -18.118 6.803 11.444 1.00 0.00 N ATOM 832 CA ASN A 55 -19.548 7.113 11.335 1.00 0.00 C ATOM 833 C ASN A 55 -20.400 5.844 11.386 1.00 0.00 C ATOM 834 O ASN A 55 -21.358 5.809 12.156 1.00 0.00 O ATOM 835 CB ASN A 55 -19.843 7.915 10.054 1.00 0.00 C ATOM 836 CG ASN A 55 -19.462 9.381 10.210 1.00 0.00 C ATOM 837 OD1 ASN A 55 -20.311 10.251 10.354 1.00 0.00 O ATOM 838 ND2 ASN A 55 -18.176 9.689 10.205 1.00 0.00 N ATOM 0 H ASN A 55 -17.637 6.774 10.545 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.816 7.729 12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.293 7.482 9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.903 7.838 9.812 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.883 10.659 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.477 8.956 10.084 1.00 0.00 H new ATOM 845 N GLN A 56 -20.027 4.844 10.573 1.00 0.00 N ATOM 846 CA GLN A 56 -20.565 3.513 10.286 1.00 0.00 C ATOM 847 C GLN A 56 -20.368 3.207 8.800 1.00 0.00 C ATOM 848 O GLN A 56 -20.406 4.141 7.970 1.00 0.00 O ATOM 849 CB GLN A 56 -22.019 3.339 10.744 1.00 0.00 C ATOM 850 CG GLN A 56 -22.576 1.925 10.505 1.00 0.00 C ATOM 851 CD GLN A 56 -23.925 1.699 11.191 1.00 0.00 C ATOM 852 OE1 GLN A 56 -24.917 1.369 10.553 1.00 0.00 O ATOM 853 NE2 GLN A 56 -23.992 1.846 12.510 1.00 0.00 N ATOM 0 H GLN A 56 -19.192 4.985 10.005 1.00 0.00 H new ATOM 0 HA GLN A 56 -20.010 2.781 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.087 3.572 11.807 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.645 4.060 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -22.685 1.758 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -21.859 1.190 10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.162 2.121 13.035 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.873 1.684 12.997 1.00 0.00 H new TER 862 GLN A 56 HETATM 863 ZN ZN A 57 -15.673 5.526 3.032 1.00 0.00 ZN