USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 62 GLN : amide:sc= 0 K(o=-0.31,f=-1.7!) USER MOD Set 1.2: A 65 SER OG : rot -140:sc= -0.308 USER MOD Set 2.1: A 7 THR OG1 : rot 137:sc= 1.29 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.23 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.167 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00035 X(o=-0.00035,f=-0.36) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.633 K(o=0.63,f=-8.9!) USER MOD Single : A 41 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -97:sc= 0.108 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.487 F(o=-1.5,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.321 F(o=-1.2,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.866 -8.140 -2.043 1.00 0.00 N ATOM 2 CA MET A 1 11.350 -8.471 -3.381 1.00 0.00 C ATOM 3 C MET A 1 9.869 -8.133 -3.485 1.00 0.00 C ATOM 4 O MET A 1 9.449 -7.474 -4.434 1.00 0.00 O ATOM 5 CB MET A 1 11.575 -9.949 -3.692 1.00 0.00 C ATOM 6 CG MET A 1 11.127 -10.248 -5.121 1.00 0.00 C ATOM 7 SD MET A 1 11.244 -11.997 -5.573 1.00 0.00 S ATOM 8 CE MET A 1 12.975 -12.038 -6.100 1.00 0.00 C ATOM 0 H1 MET A 1 12.904 -8.084 -2.075 1.00 0.00 H new ATOM 0 H2 MET A 1 11.479 -7.224 -1.738 1.00 0.00 H new ATOM 0 H3 MET A 1 11.580 -8.878 -1.368 1.00 0.00 H new ATOM 0 HA MET A 1 11.895 -7.873 -4.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.629 -10.200 -3.571 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.017 -10.568 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.095 -9.919 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.734 -9.662 -5.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.235 -13.048 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.119 -11.347 -6.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.616 -11.744 -5.269 1.00 0.00 H new ATOM 18 N GLN A 2 9.075 -8.592 -2.514 1.00 0.00 N ATOM 19 CA GLN A 2 7.641 -8.368 -2.516 1.00 0.00 C ATOM 20 C GLN A 2 7.221 -7.776 -1.179 1.00 0.00 C ATOM 21 O GLN A 2 8.045 -7.622 -0.281 1.00 0.00 O ATOM 22 CB GLN A 2 6.923 -9.698 -2.752 1.00 0.00 C ATOM 23 CG GLN A 2 7.079 -10.140 -4.205 1.00 0.00 C ATOM 24 CD GLN A 2 6.396 -11.482 -4.436 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.614 -12.431 -3.685 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.565 -11.563 -5.475 1.00 0.00 N ATOM 0 H GLN A 2 9.413 -9.125 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 2 7.375 -7.672 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.330 -10.461 -2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.866 -9.595 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.649 -9.389 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.137 -10.217 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.414 -10.750 -6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.080 -12.438 -5.673 1.00 0.00 H new ATOM 35 N ILE A 3 5.939 -7.430 -1.054 1.00 0.00 N ATOM 36 CA ILE A 3 5.383 -6.925 0.188 1.00 0.00 C ATOM 37 C ILE A 3 3.967 -7.467 0.349 1.00 0.00 C ATOM 38 O ILE A 3 3.445 -8.114 -0.558 1.00 0.00 O ATOM 39 CB ILE A 3 5.396 -5.394 0.188 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.517 -4.859 -0.943 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.825 -4.881 0.013 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.450 -3.334 -0.879 1.00 0.00 C ATOM 0 H ILE A 3 5.262 -7.494 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 3 5.987 -7.259 1.032 1.00 0.00 H new ATOM 0 HB ILE A 3 5.003 -5.043 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.919 -5.173 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.514 -5.279 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.823 -3.791 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.445 -5.244 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.228 -5.242 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.822 -2.963 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.027 -3.028 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.454 -2.921 -0.980 1.00 0.00 H new ATOM 54 N PHE A 4 3.328 -7.173 1.484 1.00 0.00 N ATOM 55 CA PHE A 4 1.982 -7.646 1.746 1.00 0.00 C ATOM 56 C PHE A 4 1.114 -6.497 2.237 1.00 0.00 C ATOM 57 O PHE A 4 1.263 -6.040 3.368 1.00 0.00 O ATOM 58 CB PHE A 4 2.023 -8.771 2.778 1.00 0.00 C ATOM 59 CG PHE A 4 2.710 -10.021 2.280 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.978 -10.993 1.587 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.075 -10.217 2.527 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.610 -12.159 1.138 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.707 -11.383 2.079 1.00 0.00 C ATOM 64 CZ PHE A 4 3.975 -12.355 1.384 1.00 0.00 C ATOM 0 H PHE A 4 3.729 -6.608 2.233 1.00 0.00 H new ATOM 0 HA PHE A 4 1.549 -8.034 0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.536 -8.415 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.004 -9.019 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.925 -10.843 1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.640 -9.469 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.045 -12.907 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.759 -11.534 2.269 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.463 -13.254 1.038 1.00 0.00 H new ATOM 74 N VAL A 5 0.224 -6.008 1.371 1.00 0.00 N ATOM 75 CA VAL A 5 -0.696 -4.947 1.731 1.00 0.00 C ATOM 76 C VAL A 5 -2.019 -5.578 2.140 1.00 0.00 C ATOM 77 O VAL A 5 -2.683 -6.212 1.323 1.00 0.00 O ATOM 78 CB VAL A 5 -0.889 -4.007 0.541 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.843 -2.882 0.936 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.453 -3.404 0.128 1.00 0.00 C ATOM 0 H VAL A 5 0.127 -6.338 0.411 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.300 -4.364 2.562 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.303 -4.570 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.983 -2.210 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.805 -3.305 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.423 -2.327 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.306 -2.736 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.872 -2.843 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.139 -4.202 -0.154 1.00 0.00 H new ATOM 90 N LYS A 6 -2.393 -5.429 3.412 1.00 0.00 N ATOM 91 CA LYS A 6 -3.596 -6.053 3.925 1.00 0.00 C ATOM 92 C LYS A 6 -4.691 -5.007 4.079 1.00 0.00 C ATOM 93 O LYS A 6 -4.515 -4.021 4.793 1.00 0.00 O ATOM 94 CB LYS A 6 -3.276 -6.735 5.253 1.00 0.00 C ATOM 95 CG LYS A 6 -4.416 -7.667 5.653 1.00 0.00 C ATOM 96 CD LYS A 6 -4.010 -8.453 6.897 1.00 0.00 C ATOM 97 CE LYS A 6 -5.085 -9.484 7.225 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.713 -10.283 8.403 1.00 0.00 N ATOM 0 H LYS A 6 -1.875 -4.881 4.099 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.957 -6.810 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.348 -7.300 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.121 -5.984 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.320 -7.091 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.647 -8.350 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.054 -8.950 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.873 -7.775 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.033 -8.979 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.235 -10.142 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.462 -10.976 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.820 -10.783 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.593 -9.656 9.224 1.00 0.00 H new ATOM 112 N THR A 7 -5.793 -5.191 3.347 1.00 0.00 N ATOM 113 CA THR A 7 -6.903 -4.256 3.354 1.00 0.00 C ATOM 114 C THR A 7 -7.539 -4.198 4.737 1.00 0.00 C ATOM 115 O THR A 7 -7.227 -5.012 5.605 1.00 0.00 O ATOM 116 CB THR A 7 -7.937 -4.696 2.320 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.412 -5.976 2.664 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.309 -4.747 0.929 1.00 0.00 C ATOM 0 H THR A 7 -5.933 -5.995 2.735 1.00 0.00 H new ATOM 0 HA THR A 7 -6.536 -3.261 3.103 1.00 0.00 H new ATOM 0 HB THR A 7 -8.759 -3.980 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.385 -6.005 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.058 -5.062 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.938 -3.758 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.482 -5.457 0.929 1.00 0.00 H new ATOM 126 N ALA A 8 -8.481 -3.268 4.918 1.00 0.00 N ATOM 127 CA ALA A 8 -9.208 -3.142 6.166 1.00 0.00 C ATOM 128 C ALA A 8 -10.208 -4.286 6.304 1.00 0.00 C ATOM 129 O ALA A 8 -10.803 -4.463 7.365 1.00 0.00 O ATOM 130 CB ALA A 8 -9.935 -1.800 6.194 1.00 0.00 C ATOM 0 H ALA A 8 -8.753 -2.591 4.205 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.509 -3.189 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.483 -1.702 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.209 -0.991 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.633 -1.747 5.359 1.00 0.00 H new ATOM 136 N THR A 9 -10.385 -5.070 5.236 1.00 0.00 N ATOM 137 CA THR A 9 -11.287 -6.207 5.256 1.00 0.00 C ATOM 138 C THR A 9 -10.511 -7.475 5.593 1.00 0.00 C ATOM 139 O THR A 9 -11.098 -8.548 5.718 1.00 0.00 O ATOM 140 CB THR A 9 -11.983 -6.335 3.902 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.034 -6.484 2.870 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.829 -5.091 3.639 1.00 0.00 C ATOM 0 H THR A 9 -9.908 -4.930 4.345 1.00 0.00 H new ATOM 0 HA THR A 9 -12.048 -6.058 6.022 1.00 0.00 H new ATOM 0 HB THR A 9 -12.623 -7.217 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.496 -6.566 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.324 -5.185 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.580 -4.989 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.188 -4.209 3.634 1.00 0.00 H new ATOM 150 N GLY A 10 -9.192 -7.346 5.759 1.00 0.00 N ATOM 151 CA GLY A 10 -8.344 -8.460 6.139 1.00 0.00 C ATOM 152 C GLY A 10 -7.835 -9.213 4.914 1.00 0.00 C ATOM 153 O GLY A 10 -7.066 -10.162 5.052 1.00 0.00 O ATOM 0 H GLY A 10 -8.691 -6.467 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.498 -8.094 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.902 -9.141 6.782 1.00 0.00 H new ATOM 157 N LYS A 11 -8.273 -8.811 3.719 1.00 0.00 N ATOM 158 CA LYS A 11 -7.838 -9.453 2.491 1.00 0.00 C ATOM 159 C LYS A 11 -6.409 -9.028 2.169 1.00 0.00 C ATOM 160 O LYS A 11 -6.161 -7.867 1.850 1.00 0.00 O ATOM 161 CB LYS A 11 -8.790 -9.083 1.353 1.00 0.00 C ATOM 162 CG LYS A 11 -10.194 -9.588 1.685 1.00 0.00 C ATOM 163 CD LYS A 11 -11.157 -9.255 0.547 1.00 0.00 C ATOM 164 CE LYS A 11 -12.547 -9.784 0.895 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.513 -9.493 -0.177 1.00 0.00 N ATOM 0 H LYS A 11 -8.929 -8.042 3.583 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.855 -10.536 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.804 -8.002 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.445 -9.522 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.172 -10.665 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.543 -9.132 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.194 -8.177 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.807 -9.701 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.498 -10.860 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.888 -9.333 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.448 -9.864 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.576 -8.464 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.199 -9.944 -1.060 1.00 0.00 H new ATOM 179 N THR A 12 -5.466 -9.966 2.283 1.00 0.00 N ATOM 180 CA THR A 12 -4.063 -9.696 2.026 1.00 0.00 C ATOM 181 C THR A 12 -3.813 -9.599 0.525 1.00 0.00 C ATOM 182 O THR A 12 -4.399 -10.349 -0.254 1.00 0.00 O ATOM 183 CB THR A 12 -3.218 -10.811 2.643 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.638 -11.037 3.971 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.743 -10.416 2.635 1.00 0.00 C ATOM 0 H THR A 12 -5.660 -10.930 2.556 1.00 0.00 H new ATOM 0 HA THR A 12 -3.784 -8.744 2.477 1.00 0.00 H new ATOM 0 HB THR A 12 -3.345 -11.721 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.098 -11.753 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.150 -11.217 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.417 -10.246 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.608 -9.503 3.214 1.00 0.00 H new ATOM 193 N ILE A 13 -2.942 -8.669 0.121 1.00 0.00 N ATOM 194 CA ILE A 13 -2.601 -8.478 -1.277 1.00 0.00 C ATOM 195 C ILE A 13 -1.085 -8.489 -1.449 1.00 0.00 C ATOM 196 O ILE A 13 -0.408 -7.542 -1.053 1.00 0.00 O ATOM 197 CB ILE A 13 -3.198 -7.162 -1.784 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.692 -7.100 -1.453 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.990 -7.064 -3.296 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.280 -5.762 -1.899 1.00 0.00 C ATOM 0 H ILE A 13 -2.460 -8.034 0.757 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.019 -9.295 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.699 -6.325 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.215 -7.918 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.839 -7.230 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.413 -6.129 -3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.923 -7.091 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.485 -7.902 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.342 -5.733 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.768 -4.950 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.150 -5.648 -2.975 1.00 0.00 H new ATOM 212 N THR A 14 -0.557 -9.559 -2.049 1.00 0.00 N ATOM 213 CA THR A 14 0.862 -9.663 -2.338 1.00 0.00 C ATOM 214 C THR A 14 1.216 -8.674 -3.443 1.00 0.00 C ATOM 215 O THR A 14 0.622 -8.714 -4.520 1.00 0.00 O ATOM 216 CB THR A 14 1.189 -11.092 -2.766 1.00 0.00 C ATOM 217 OG1 THR A 14 0.700 -11.996 -1.800 1.00 0.00 O ATOM 218 CG2 THR A 14 2.702 -11.256 -2.899 1.00 0.00 C ATOM 0 H THR A 14 -1.103 -10.369 -2.344 1.00 0.00 H new ATOM 0 HA THR A 14 1.447 -9.426 -1.450 1.00 0.00 H new ATOM 0 HB THR A 14 0.719 -11.297 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.277 -11.972 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.932 -12.277 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.079 -10.559 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.176 -11.049 -1.940 1.00 0.00 H new ATOM 226 N LEU A 15 2.135 -7.747 -3.159 1.00 0.00 N ATOM 227 CA LEU A 15 2.481 -6.708 -4.112 1.00 0.00 C ATOM 228 C LEU A 15 3.967 -6.754 -4.450 1.00 0.00 C ATOM 229 O LEU A 15 4.771 -7.251 -3.664 1.00 0.00 O ATOM 230 CB LEU A 15 2.095 -5.352 -3.523 1.00 0.00 C ATOM 231 CG LEU A 15 1.836 -4.342 -4.638 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.594 -4.757 -5.425 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.608 -2.970 -4.008 1.00 0.00 C ATOM 0 H LEU A 15 2.647 -7.701 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 15 1.933 -6.868 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.204 -5.457 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.892 -4.990 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 15 2.690 -4.305 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.410 -4.035 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.752 -5.744 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.267 -4.788 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.421 -2.236 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.748 -3.015 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.492 -2.678 -3.441 1.00 0.00 H new ATOM 245 N GLU A 16 4.330 -6.199 -5.611 1.00 0.00 N ATOM 246 CA GLU A 16 5.709 -6.131 -6.059 1.00 0.00 C ATOM 247 C GLU A 16 5.982 -4.748 -6.640 1.00 0.00 C ATOM 248 O GLU A 16 5.482 -4.420 -7.714 1.00 0.00 O ATOM 249 CB GLU A 16 5.959 -7.223 -7.100 1.00 0.00 C ATOM 250 CG GLU A 16 7.422 -7.195 -7.545 1.00 0.00 C ATOM 251 CD GLU A 16 7.709 -8.280 -8.579 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.727 -8.818 -9.135 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.910 -8.527 -8.824 1.00 0.00 O ATOM 0 H GLU A 16 3.665 -5.784 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 16 6.386 -6.294 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.716 -8.199 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.306 -7.074 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.657 -6.217 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.070 -7.334 -6.680 1.00 0.00 H new ATOM 260 N VAL A 17 6.722 -3.913 -5.903 1.00 0.00 N ATOM 261 CA VAL A 17 7.036 -2.569 -6.357 1.00 0.00 C ATOM 262 C VAL A 17 8.534 -2.313 -6.244 1.00 0.00 C ATOM 263 O VAL A 17 9.241 -3.046 -5.554 1.00 0.00 O ATOM 264 CB VAL A 17 6.251 -1.550 -5.528 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.751 -1.767 -5.721 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.600 -1.697 -4.047 1.00 0.00 C ATOM 0 H VAL A 17 7.111 -4.151 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 17 6.750 -2.466 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 17 6.518 -0.547 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.199 -1.038 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.498 -1.644 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.485 -2.774 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.036 -0.967 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.346 -2.702 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.667 -1.526 -3.906 1.00 0.00 H new ATOM 276 N GLU A 18 9.006 -1.239 -6.882 1.00 0.00 N ATOM 277 CA GLU A 18 10.400 -0.848 -6.800 1.00 0.00 C ATOM 278 C GLU A 18 10.616 -0.009 -5.546 1.00 0.00 C ATOM 279 O GLU A 18 9.717 0.712 -5.120 1.00 0.00 O ATOM 280 CB GLU A 18 10.784 -0.046 -8.043 1.00 0.00 C ATOM 281 CG GLU A 18 10.718 -0.921 -9.294 1.00 0.00 C ATOM 282 CD GLU A 18 11.189 -2.341 -9.006 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.376 -2.483 -8.639 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.379 -3.266 -9.230 1.00 0.00 O ATOM 0 H GLU A 18 8.433 -0.627 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 18 11.028 -1.738 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.113 0.806 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.791 0.355 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.695 -0.945 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.335 -0.484 -10.079 1.00 0.00 H new ATOM 291 N PRO A 19 11.832 -0.050 -4.993 1.00 0.00 N ATOM 292 CA PRO A 19 12.193 0.655 -3.781 1.00 0.00 C ATOM 293 C PRO A 19 12.022 2.167 -3.904 1.00 0.00 C ATOM 294 O PRO A 19 11.896 2.850 -2.890 1.00 0.00 O ATOM 295 CB PRO A 19 13.663 0.311 -3.528 1.00 0.00 C ATOM 296 CG PRO A 19 13.907 -0.975 -4.315 1.00 0.00 C ATOM 297 CD PRO A 19 12.900 -0.909 -5.458 1.00 0.00 C ATOM 0 HA PRO A 19 11.541 0.352 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.320 1.112 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.858 0.167 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.930 -1.026 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.749 -1.858 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.359 -0.508 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.524 -1.902 -5.706 1.00 0.00 H new ATOM 305 N SER A 20 12.039 2.698 -5.131 1.00 0.00 N ATOM 306 CA SER A 20 12.093 4.138 -5.332 1.00 0.00 C ATOM 307 C SER A 20 10.984 4.631 -6.256 1.00 0.00 C ATOM 308 O SER A 20 11.084 5.727 -6.803 1.00 0.00 O ATOM 309 CB SER A 20 13.465 4.510 -5.890 1.00 0.00 C ATOM 310 OG SER A 20 14.474 4.028 -5.030 1.00 0.00 O ATOM 0 H SER A 20 12.016 2.151 -5.991 1.00 0.00 H new ATOM 0 HA SER A 20 11.938 4.626 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.590 4.087 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.546 5.592 -5.991 1.00 0.00 H new ATOM 0 HG SER A 20 15.353 4.267 -5.391 1.00 0.00 H new ATOM 316 N ASP A 21 9.951 3.814 -6.472 1.00 0.00 N ATOM 317 CA ASP A 21 8.843 4.212 -7.327 1.00 0.00 C ATOM 318 C ASP A 21 7.838 5.034 -6.525 1.00 0.00 C ATOM 319 O ASP A 21 6.807 5.440 -7.055 1.00 0.00 O ATOM 320 CB ASP A 21 8.177 2.976 -7.930 1.00 0.00 C ATOM 321 CG ASP A 21 8.853 2.569 -9.236 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.215 1.804 -9.991 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.966 3.080 -9.489 1.00 0.00 O ATOM 0 H ASP A 21 9.863 2.881 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 21 9.221 4.829 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.225 2.151 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.122 3.180 -8.111 1.00 0.00 H new ATOM 328 N THR A 22 8.156 5.290 -5.253 1.00 0.00 N ATOM 329 CA THR A 22 7.353 6.119 -4.370 1.00 0.00 C ATOM 330 C THR A 22 6.129 5.349 -3.884 1.00 0.00 C ATOM 331 O THR A 22 5.640 4.452 -4.567 1.00 0.00 O ATOM 332 CB THR A 22 6.951 7.411 -5.089 1.00 0.00 C ATOM 333 OG1 THR A 22 8.091 8.002 -5.673 1.00 0.00 O ATOM 334 CG2 THR A 22 6.341 8.395 -4.094 1.00 0.00 C ATOM 0 H THR A 22 8.994 4.917 -4.807 1.00 0.00 H new ATOM 0 HA THR A 22 7.944 6.387 -3.494 1.00 0.00 H new ATOM 0 HB THR A 22 6.219 7.171 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.832 8.827 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.058 9.310 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.457 7.950 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.071 8.629 -3.319 1.00 0.00 H new ATOM 342 N ILE A 23 5.613 5.733 -2.713 1.00 0.00 N ATOM 343 CA ILE A 23 4.441 5.100 -2.131 1.00 0.00 C ATOM 344 C ILE A 23 3.277 5.124 -3.117 1.00 0.00 C ATOM 345 O ILE A 23 2.424 4.239 -3.087 1.00 0.00 O ATOM 346 CB ILE A 23 4.062 5.835 -0.842 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.135 5.618 0.228 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.715 5.330 -0.323 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.168 4.163 0.695 1.00 0.00 C ATOM 0 H ILE A 23 5.999 6.490 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 23 4.669 4.059 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 23 3.986 6.900 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.111 5.896 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.940 6.271 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.456 5.860 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.946 5.508 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.782 4.262 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.940 4.042 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.199 3.894 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.388 3.514 -0.152 1.00 0.00 H new ATOM 361 N GLU A 24 3.220 6.148 -3.972 1.00 0.00 N ATOM 362 CA GLU A 24 2.127 6.288 -4.917 1.00 0.00 C ATOM 363 C GLU A 24 2.027 5.056 -5.811 1.00 0.00 C ATOM 364 O GLU A 24 0.930 4.673 -6.213 1.00 0.00 O ATOM 365 CB GLU A 24 2.326 7.557 -5.744 1.00 0.00 C ATOM 366 CG GLU A 24 1.176 7.705 -6.738 1.00 0.00 C ATOM 367 CD GLU A 24 1.185 9.082 -7.388 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.593 10.000 -6.778 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.782 9.197 -8.480 1.00 0.00 O ATOM 0 H GLU A 24 3.920 6.888 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 24 1.188 6.372 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.368 8.427 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.276 7.512 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.255 6.936 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.227 7.548 -6.226 1.00 0.00 H new ATOM 376 N ASN A 25 3.161 4.408 -6.087 1.00 0.00 N ATOM 377 CA ASN A 25 3.172 3.233 -6.938 1.00 0.00 C ATOM 378 C ASN A 25 2.529 2.050 -6.228 1.00 0.00 C ATOM 379 O ASN A 25 1.948 1.180 -6.874 1.00 0.00 O ATOM 380 CB ASN A 25 4.609 2.897 -7.322 1.00 0.00 C ATOM 381 CG ASN A 25 4.640 1.773 -8.347 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.894 0.623 -8.000 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.354 2.100 -9.608 1.00 0.00 N ATOM 0 H ASN A 25 4.077 4.682 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 25 2.596 3.444 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.099 3.782 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.169 2.603 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.340 1.380 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.149 3.070 -9.850 1.00 0.00 H new ATOM 390 N VAL A 26 2.606 2.026 -4.895 1.00 0.00 N ATOM 391 CA VAL A 26 2.028 0.941 -4.125 1.00 0.00 C ATOM 392 C VAL A 26 0.516 0.955 -4.296 1.00 0.00 C ATOM 393 O VAL A 26 -0.122 -0.096 -4.292 1.00 0.00 O ATOM 394 CB VAL A 26 2.406 1.105 -2.650 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.833 -0.049 -1.829 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.926 1.118 -2.503 1.00 0.00 C ATOM 0 H VAL A 26 3.063 2.746 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 26 2.413 -0.015 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 26 1.994 2.047 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.108 0.078 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.747 -0.057 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.235 -0.993 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.189 1.235 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.336 0.180 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.340 1.949 -3.075 1.00 0.00 H new ATOM 406 N LYS A 27 -0.052 2.145 -4.507 1.00 0.00 N ATOM 407 CA LYS A 27 -1.480 2.289 -4.706 1.00 0.00 C ATOM 408 C LYS A 27 -1.842 1.967 -6.151 1.00 0.00 C ATOM 409 O LYS A 27 -2.959 1.533 -6.426 1.00 0.00 O ATOM 410 CB LYS A 27 -1.896 3.718 -4.359 1.00 0.00 C ATOM 411 CG LYS A 27 -1.591 4.002 -2.887 1.00 0.00 C ATOM 412 CD LYS A 27 -2.095 5.393 -2.499 1.00 0.00 C ATOM 413 CE LYS A 27 -1.342 6.459 -3.292 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.756 7.814 -2.889 1.00 0.00 N ATOM 0 H LYS A 27 0.467 3.023 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.010 1.593 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.363 4.426 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.960 3.854 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.065 3.248 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.517 3.935 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.165 5.469 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.954 5.555 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.270 6.342 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.526 6.321 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.228 8.518 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.775 7.931 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.557 7.951 -1.877 1.00 0.00 H new ATOM 428 N ALA A 28 -0.899 2.175 -7.075 1.00 0.00 N ATOM 429 CA ALA A 28 -1.155 1.961 -8.488 1.00 0.00 C ATOM 430 C ALA A 28 -1.218 0.471 -8.804 1.00 0.00 C ATOM 431 O ALA A 28 -2.043 0.045 -9.609 1.00 0.00 O ATOM 432 CB ALA A 28 -0.050 2.627 -9.304 1.00 0.00 C ATOM 0 H ALA A 28 0.047 2.492 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.117 2.402 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.237 2.470 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.036 3.696 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.913 2.191 -9.037 1.00 0.00 H new ATOM 438 N LYS A 29 -0.386 -0.335 -8.138 1.00 0.00 N ATOM 439 CA LYS A 29 -0.390 -1.769 -8.367 1.00 0.00 C ATOM 440 C LYS A 29 -1.617 -2.401 -7.725 1.00 0.00 C ATOM 441 O LYS A 29 -1.996 -3.515 -8.082 1.00 0.00 O ATOM 442 CB LYS A 29 0.886 -2.390 -7.800 1.00 0.00 C ATOM 443 CG LYS A 29 2.096 -2.027 -8.660 1.00 0.00 C ATOM 444 CD LYS A 29 1.981 -2.711 -10.023 1.00 0.00 C ATOM 445 CE LYS A 29 3.254 -2.474 -10.830 1.00 0.00 C ATOM 446 NZ LYS A 29 3.176 -3.138 -12.141 1.00 0.00 N ATOM 0 H LYS A 29 0.290 -0.016 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.426 -1.956 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.042 -2.042 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.779 -3.474 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.153 -0.946 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.015 -2.338 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.817 -3.780 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.119 -2.321 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.408 -1.404 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.115 -2.851 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.053 -2.963 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.052 -4.162 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.367 -2.760 -12.674 1.00 0.00 H new ATOM 460 N ILE A 30 -2.248 -1.695 -6.785 1.00 0.00 N ATOM 461 CA ILE A 30 -3.459 -2.192 -6.164 1.00 0.00 C ATOM 462 C ILE A 30 -4.660 -1.723 -6.974 1.00 0.00 C ATOM 463 O ILE A 30 -5.698 -2.380 -6.980 1.00 0.00 O ATOM 464 CB ILE A 30 -3.538 -1.689 -4.721 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.382 -2.291 -3.920 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.869 -2.112 -4.098 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.287 -1.637 -2.543 1.00 0.00 C ATOM 0 H ILE A 30 -1.937 -0.785 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.454 -3.282 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.469 -0.601 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.529 -3.365 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.446 -2.152 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.921 -1.752 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.691 -1.687 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.945 -3.199 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.459 -2.078 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.117 -0.567 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.217 -1.799 -1.998 1.00 0.00 H new ATOM 479 N GLN A 31 -4.500 -0.622 -7.714 1.00 0.00 N ATOM 480 CA GLN A 31 -5.552 -0.139 -8.585 1.00 0.00 C ATOM 481 C GLN A 31 -5.787 -1.153 -9.699 1.00 0.00 C ATOM 482 O GLN A 31 -6.911 -1.321 -10.163 1.00 0.00 O ATOM 483 CB GLN A 31 -5.154 1.220 -9.161 1.00 0.00 C ATOM 484 CG GLN A 31 -6.314 1.791 -9.975 1.00 0.00 C ATOM 485 CD GLN A 31 -5.953 3.137 -10.591 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.055 3.826 -10.112 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.658 3.512 -11.659 1.00 0.00 N ATOM 0 H GLN A 31 -3.651 -0.056 -7.721 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.477 -0.017 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.890 1.905 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.271 1.115 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.587 1.090 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.188 1.905 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.395 2.907 -12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.461 4.404 -12.113 1.00 0.00 H new ATOM 496 N ASP A 32 -4.723 -1.846 -10.109 1.00 0.00 N ATOM 497 CA ASP A 32 -4.803 -2.844 -11.160 1.00 0.00 C ATOM 498 C ASP A 32 -5.369 -4.152 -10.617 1.00 0.00 C ATOM 499 O ASP A 32 -5.926 -4.946 -11.372 1.00 0.00 O ATOM 500 CB ASP A 32 -3.405 -3.081 -11.730 1.00 0.00 C ATOM 501 CG ASP A 32 -3.441 -4.102 -12.860 1.00 0.00 C ATOM 502 OD1 ASP A 32 -2.991 -5.242 -12.612 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.848 -3.704 -13.973 1.00 0.00 O ATOM 0 H ASP A 32 -3.788 -1.727 -9.719 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.468 -2.483 -11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.994 -2.141 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.741 -3.431 -10.940 1.00 0.00 H new ATOM 508 N LYS A 33 -5.198 -4.394 -9.314 1.00 0.00 N ATOM 509 CA LYS A 33 -5.575 -5.664 -8.719 1.00 0.00 C ATOM 510 C LYS A 33 -6.946 -5.577 -8.059 1.00 0.00 C ATOM 511 O LYS A 33 -7.825 -6.384 -8.353 1.00 0.00 O ATOM 512 CB LYS A 33 -4.509 -6.064 -7.699 1.00 0.00 C ATOM 513 CG LYS A 33 -4.769 -7.471 -7.157 1.00 0.00 C ATOM 514 CD LYS A 33 -4.630 -8.501 -8.277 1.00 0.00 C ATOM 515 CE LYS A 33 -4.700 -9.909 -7.689 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.587 -10.930 -8.743 1.00 0.00 N ATOM 0 H LYS A 33 -4.800 -3.722 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.640 -6.422 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.524 -6.026 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.501 -5.349 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.065 -7.696 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.769 -7.524 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.423 -8.363 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.683 -8.360 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.899 -10.043 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.641 -10.037 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.638 -11.877 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.366 -10.815 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.678 -10.821 -9.236 1.00 0.00 H new ATOM 530 N GLU A 34 -7.112 -4.639 -7.125 1.00 0.00 N ATOM 531 CA GLU A 34 -8.358 -4.501 -6.392 1.00 0.00 C ATOM 532 C GLU A 34 -9.303 -3.564 -7.138 1.00 0.00 C ATOM 533 O GLU A 34 -10.501 -3.540 -6.864 1.00 0.00 O ATOM 534 CB GLU A 34 -8.056 -3.964 -4.992 1.00 0.00 C ATOM 535 CG GLU A 34 -9.247 -4.192 -4.062 1.00 0.00 C ATOM 536 CD GLU A 34 -9.591 -5.673 -3.965 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.771 -6.003 -4.209 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.671 -6.450 -3.628 1.00 0.00 O ATOM 0 H GLU A 34 -6.393 -3.965 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.845 -5.472 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.173 -4.459 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.828 -2.899 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.017 -3.803 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.111 -3.638 -4.430 1.00 0.00 H new ATOM 545 N GLY A 35 -8.767 -2.816 -8.107 1.00 0.00 N ATOM 546 CA GLY A 35 -9.560 -1.918 -8.927 1.00 0.00 C ATOM 547 C GLY A 35 -9.795 -0.584 -8.226 1.00 0.00 C ATOM 548 O GLY A 35 -10.280 0.358 -8.850 1.00 0.00 O ATOM 0 H GLY A 35 -7.774 -2.821 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.053 -1.747 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.518 -2.384 -9.157 1.00 0.00 H new ATOM 552 N ILE A 36 -9.446 -0.494 -6.939 1.00 0.00 N ATOM 553 CA ILE A 36 -9.672 0.711 -6.158 1.00 0.00 C ATOM 554 C ILE A 36 -8.677 1.799 -6.558 1.00 0.00 C ATOM 555 O ILE A 36 -7.481 1.659 -6.306 1.00 0.00 O ATOM 556 CB ILE A 36 -9.524 0.381 -4.671 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.494 -0.742 -4.299 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.823 1.626 -3.836 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.278 -1.174 -2.850 1.00 0.00 C ATOM 0 H ILE A 36 -9.003 -1.251 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.679 1.081 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.503 0.055 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.521 -0.404 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.348 -1.593 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.717 1.388 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.124 2.419 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.842 1.960 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.976 -1.974 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.256 -1.532 -2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.448 -0.325 -2.188 1.00 0.00 H new ATOM 571 N PRO A 37 -9.170 2.918 -7.103 1.00 0.00 N ATOM 572 CA PRO A 37 -8.351 4.053 -7.480 1.00 0.00 C ATOM 573 C PRO A 37 -7.740 4.708 -6.244 1.00 0.00 C ATOM 574 O PRO A 37 -8.155 4.426 -5.122 1.00 0.00 O ATOM 575 CB PRO A 37 -9.290 5.036 -8.187 1.00 0.00 C ATOM 576 CG PRO A 37 -10.560 4.238 -8.488 1.00 0.00 C ATOM 577 CD PRO A 37 -10.558 3.119 -7.452 1.00 0.00 C ATOM 0 HA PRO A 37 -7.527 3.748 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.507 5.896 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.840 5.419 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.451 4.860 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.548 3.840 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.147 3.394 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.996 2.207 -7.858 1.00 0.00 H new ATOM 585 N PRO A 38 -6.828 5.664 -6.455 1.00 0.00 N ATOM 586 CA PRO A 38 -6.222 6.448 -5.398 1.00 0.00 C ATOM 587 C PRO A 38 -7.287 7.190 -4.593 1.00 0.00 C ATOM 588 O PRO A 38 -8.444 7.253 -5.003 1.00 0.00 O ATOM 589 CB PRO A 38 -5.282 7.432 -6.097 1.00 0.00 C ATOM 590 CG PRO A 38 -5.030 6.820 -7.476 1.00 0.00 C ATOM 591 CD PRO A 38 -6.284 5.994 -7.753 1.00 0.00 C ATOM 0 HA PRO A 38 -5.684 5.817 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.734 8.420 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.352 7.553 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.885 7.590 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.135 6.198 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.002 6.559 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.043 5.093 -8.317 1.00 0.00 H new ATOM 599 N ASP A 39 -6.877 7.771 -3.460 1.00 0.00 N ATOM 600 CA ASP A 39 -7.739 8.549 -2.579 1.00 0.00 C ATOM 601 C ASP A 39 -8.698 7.652 -1.808 1.00 0.00 C ATOM 602 O ASP A 39 -8.824 7.782 -0.592 1.00 0.00 O ATOM 603 CB ASP A 39 -8.507 9.604 -3.373 1.00 0.00 C ATOM 604 CG ASP A 39 -9.211 10.569 -2.429 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.423 10.358 -2.207 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.497 11.402 -1.831 1.00 0.00 O ATOM 0 H ASP A 39 -5.915 7.709 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.103 9.057 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.822 10.152 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.238 9.120 -4.021 1.00 0.00 H new ATOM 611 N GLN A 40 -9.380 6.745 -2.510 1.00 0.00 N ATOM 612 CA GLN A 40 -10.316 5.842 -1.869 1.00 0.00 C ATOM 613 C GLN A 40 -9.551 4.884 -0.965 1.00 0.00 C ATOM 614 O GLN A 40 -10.136 4.266 -0.077 1.00 0.00 O ATOM 615 CB GLN A 40 -11.106 5.081 -2.932 1.00 0.00 C ATOM 616 CG GLN A 40 -12.043 6.049 -3.654 1.00 0.00 C ATOM 617 CD GLN A 40 -12.849 5.334 -4.730 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.803 4.623 -4.423 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.494 5.559 -5.996 1.00 0.00 N ATOM 0 H GLN A 40 -9.297 6.622 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.022 6.406 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.425 4.616 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.680 4.278 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.720 6.509 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.462 6.854 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.694 6.157 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.023 5.133 -6.757 1.00 0.00 H new ATOM 628 N GLN A 41 -8.238 4.776 -1.184 1.00 0.00 N ATOM 629 CA GLN A 41 -7.378 3.946 -0.365 1.00 0.00 C ATOM 630 C GLN A 41 -6.341 4.814 0.340 1.00 0.00 C ATOM 631 O GLN A 41 -6.053 5.923 -0.106 1.00 0.00 O ATOM 632 CB GLN A 41 -6.715 2.885 -1.243 1.00 0.00 C ATOM 633 CG GLN A 41 -5.740 3.542 -2.220 1.00 0.00 C ATOM 634 CD GLN A 41 -5.113 2.507 -3.143 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.274 1.717 -2.716 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.510 2.520 -4.416 1.00 0.00 N ATOM 0 H GLN A 41 -7.750 5.264 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.966 3.440 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.186 2.165 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.475 2.331 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.263 4.293 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.958 4.061 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.210 3.195 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.114 1.855 -5.081 1.00 0.00 H new ATOM 645 N ARG A 42 -5.746 4.287 1.413 1.00 0.00 N ATOM 646 CA ARG A 42 -4.717 4.990 2.160 1.00 0.00 C ATOM 647 C ARG A 42 -3.844 3.975 2.883 1.00 0.00 C ATOM 648 O ARG A 42 -4.342 2.955 3.353 1.00 0.00 O ATOM 649 CB ARG A 42 -5.382 5.950 3.144 1.00 0.00 C ATOM 650 CG ARG A 42 -5.068 7.390 2.740 1.00 0.00 C ATOM 651 CD ARG A 42 -6.167 8.319 3.249 1.00 0.00 C ATOM 652 NE ARG A 42 -7.381 8.178 2.430 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.600 7.898 2.915 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.766 7.679 4.223 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.650 7.828 2.090 1.00 0.00 N ATOM 0 H ARG A 42 -5.968 3.363 1.782 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.084 5.570 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.460 5.790 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.023 5.758 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.105 7.691 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.989 7.465 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.394 8.087 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.820 9.352 3.221 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.289 8.302 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.965 7.725 4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.693 7.466 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.525 7.988 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.576 7.615 2.460 1.00 0.00 H new ATOM 669 N LEU A 43 -2.539 4.249 2.960 1.00 0.00 N ATOM 670 CA LEU A 43 -1.584 3.294 3.495 1.00 0.00 C ATOM 671 C LEU A 43 -1.062 3.745 4.853 1.00 0.00 C ATOM 672 O LEU A 43 -1.039 4.936 5.156 1.00 0.00 O ATOM 673 CB LEU A 43 -0.424 3.157 2.508 1.00 0.00 C ATOM 674 CG LEU A 43 -0.776 2.183 1.384 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.295 2.265 0.300 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.822 0.753 1.922 1.00 0.00 C ATOM 0 H LEU A 43 -2.125 5.130 2.655 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.078 2.332 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.183 4.133 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.465 2.807 3.032 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.752 2.447 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.051 1.573 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.337 3.280 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.263 2.001 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.074 0.068 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.152 0.487 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.577 0.683 2.705 1.00 0.00 H new ATOM 688 N ALA A 44 -0.586 2.778 5.643 1.00 0.00 N ATOM 689 CA ALA A 44 0.027 3.030 6.934 1.00 0.00 C ATOM 690 C ALA A 44 0.985 1.888 7.257 1.00 0.00 C ATOM 691 O ALA A 44 0.968 0.856 6.589 1.00 0.00 O ATOM 692 CB ALA A 44 -1.060 3.135 8.002 1.00 0.00 C ATOM 0 H ALA A 44 -0.620 1.790 5.394 1.00 0.00 H new ATOM 0 HA ALA A 44 0.583 3.967 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.600 3.324 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.735 3.954 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.621 2.202 8.043 1.00 0.00 H new ATOM 698 N PHE A 45 1.800 2.061 8.301 1.00 0.00 N ATOM 699 CA PHE A 45 2.744 1.042 8.724 1.00 0.00 C ATOM 700 C PHE A 45 2.855 1.042 10.242 1.00 0.00 C ATOM 701 O PHE A 45 3.458 1.946 10.816 1.00 0.00 O ATOM 702 CB PHE A 45 4.105 1.307 8.080 1.00 0.00 C ATOM 703 CG PHE A 45 5.060 0.138 8.175 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.561 -0.264 9.421 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.454 -0.538 7.013 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.446 -1.346 9.504 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.341 -1.620 7.097 1.00 0.00 C ATOM 708 CZ PHE A 45 6.837 -2.024 8.343 1.00 0.00 C ATOM 0 H PHE A 45 1.819 2.908 8.869 1.00 0.00 H new ATOM 0 HA PHE A 45 2.393 0.061 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.957 1.560 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.559 2.176 8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.264 0.261 10.317 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.074 -0.225 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.828 -1.658 10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.642 -2.142 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.520 -2.858 8.408 1.00 0.00 H new ATOM 718 N ALA A 46 2.304 0.012 10.890 1.00 0.00 N ATOM 719 CA ALA A 46 2.336 -0.103 12.340 1.00 0.00 C ATOM 720 C ALA A 46 1.786 1.159 13.002 1.00 0.00 C ATOM 721 O ALA A 46 2.078 1.426 14.165 1.00 0.00 O ATOM 722 CB ALA A 46 3.763 -0.400 12.798 1.00 0.00 C ATOM 0 H ALA A 46 1.827 -0.759 10.422 1.00 0.00 H new ATOM 0 HA ALA A 46 1.694 -0.929 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.786 -0.486 13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.101 -1.336 12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.422 0.410 12.484 1.00 0.00 H new ATOM 728 N GLY A 47 0.999 1.941 12.256 1.00 0.00 N ATOM 729 CA GLY A 47 0.371 3.141 12.778 1.00 0.00 C ATOM 730 C GLY A 47 1.056 4.396 12.250 1.00 0.00 C ATOM 731 O GLY A 47 0.525 5.496 12.395 1.00 0.00 O ATOM 0 H GLY A 47 0.785 1.753 11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.683 3.154 12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.412 3.132 13.867 1.00 0.00 H new ATOM 735 N LYS A 48 2.212 4.237 11.603 1.00 0.00 N ATOM 736 CA LYS A 48 2.900 5.360 10.997 1.00 0.00 C ATOM 737 C LYS A 48 2.220 5.697 9.678 1.00 0.00 C ATOM 738 O LYS A 48 2.098 4.835 8.810 1.00 0.00 O ATOM 739 CB LYS A 48 4.367 5.003 10.758 1.00 0.00 C ATOM 740 CG LYS A 48 5.036 4.584 12.066 1.00 0.00 C ATOM 741 CD LYS A 48 6.517 4.307 11.812 1.00 0.00 C ATOM 742 CE LYS A 48 7.182 3.847 13.107 1.00 0.00 C ATOM 743 NZ LYS A 48 8.623 3.618 12.909 1.00 0.00 N ATOM 0 H LYS A 48 2.684 3.340 11.490 1.00 0.00 H new ATOM 0 HA LYS A 48 2.858 6.223 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.437 4.193 10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.891 5.859 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.925 5.370 12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.551 3.693 12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.628 3.542 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.007 5.207 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.033 4.598 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.709 2.929 13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.051 3.306 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.762 2.885 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.075 4.501 12.598 1.00 0.00 H new ATOM 757 N GLN A 49 1.770 6.943 9.524 1.00 0.00 N ATOM 758 CA GLN A 49 1.133 7.364 8.292 1.00 0.00 C ATOM 759 C GLN A 49 2.180 7.376 7.189 1.00 0.00 C ATOM 760 O GLN A 49 3.198 8.055 7.309 1.00 0.00 O ATOM 761 CB GLN A 49 0.538 8.762 8.473 1.00 0.00 C ATOM 762 CG GLN A 49 0.329 9.428 7.111 1.00 0.00 C ATOM 763 CD GLN A 49 -0.212 10.843 7.269 1.00 0.00 C ATOM 764 OE1 GLN A 49 -1.166 11.068 8.010 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.406 11.801 6.576 1.00 0.00 N ATOM 0 H GLN A 49 1.838 7.669 10.237 1.00 0.00 H new ATOM 0 HA GLN A 49 0.329 6.677 8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.412 8.695 9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.202 9.371 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.273 9.455 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.365 8.835 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.194 11.566 5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.090 12.768 6.649 1.00 0.00 H new ATOM 774 N LEU A 50 1.942 6.611 6.123 1.00 0.00 N ATOM 775 CA LEU A 50 2.830 6.630 4.979 1.00 0.00 C ATOM 776 C LEU A 50 2.403 7.766 4.064 1.00 0.00 C ATOM 777 O LEU A 50 1.241 8.169 4.079 1.00 0.00 O ATOM 778 CB LEU A 50 2.764 5.289 4.246 1.00 0.00 C ATOM 779 CG LEU A 50 3.220 4.152 5.163 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.183 2.839 4.386 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.646 4.395 5.656 1.00 0.00 C ATOM 0 H LEU A 50 1.147 5.978 6.036 1.00 0.00 H new ATOM 0 HA LEU A 50 3.860 6.786 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.745 5.103 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.395 5.322 3.358 1.00 0.00 H new ATOM 0 HG LEU A 50 2.552 4.106 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.507 2.024 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.166 2.648 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.850 2.906 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.951 3.575 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.321 4.451 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.684 5.332 6.211 1.00 0.00 H new ATOM 793 N GLU A 51 3.340 8.294 3.277 1.00 0.00 N ATOM 794 CA GLU A 51 3.047 9.400 2.390 1.00 0.00 C ATOM 795 C GLU A 51 3.893 9.280 1.130 1.00 0.00 C ATOM 796 O GLU A 51 4.985 8.714 1.163 1.00 0.00 O ATOM 797 CB GLU A 51 3.331 10.707 3.131 1.00 0.00 C ATOM 798 CG GLU A 51 2.909 11.909 2.292 1.00 0.00 C ATOM 799 CD GLU A 51 2.995 13.189 3.112 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.074 13.818 3.071 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.029 13.444 3.865 1.00 0.00 O ATOM 0 H GLU A 51 4.306 7.968 3.242 1.00 0.00 H new ATOM 0 HA GLU A 51 1.999 9.387 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.796 10.715 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.394 10.775 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.549 11.989 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.890 11.769 1.932 1.00 0.00 H new ATOM 808 N ASP A 52 3.371 9.789 0.012 1.00 0.00 N ATOM 809 CA ASP A 52 4.068 9.752 -1.259 1.00 0.00 C ATOM 810 C ASP A 52 5.011 10.944 -1.373 1.00 0.00 C ATOM 811 O ASP A 52 4.860 11.930 -0.656 1.00 0.00 O ATOM 812 CB ASP A 52 3.050 9.759 -2.398 1.00 0.00 C ATOM 813 CG ASP A 52 2.217 11.035 -2.392 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.449 11.207 -1.420 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.216 11.711 -3.442 1.00 0.00 O ATOM 0 H ASP A 52 2.455 10.236 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 52 4.661 8.840 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.569 9.666 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.393 8.894 -2.306 1.00 0.00 H new ATOM 820 N GLY A 53 5.976 10.855 -2.291 1.00 0.00 N ATOM 821 CA GLY A 53 6.938 11.919 -2.508 1.00 0.00 C ATOM 822 C GLY A 53 8.302 11.533 -1.947 1.00 0.00 C ATOM 823 O GLY A 53 9.247 12.313 -2.033 1.00 0.00 O ATOM 0 H GLY A 53 6.106 10.045 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.023 12.127 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.589 12.835 -2.031 1.00 0.00 H new ATOM 827 N ARG A 54 8.403 10.340 -1.355 1.00 0.00 N ATOM 828 CA ARG A 54 9.654 9.868 -0.792 1.00 0.00 C ATOM 829 C ARG A 54 9.859 8.395 -1.135 1.00 0.00 C ATOM 830 O ARG A 54 8.894 7.667 -1.360 1.00 0.00 O ATOM 831 CB ARG A 54 9.634 10.090 0.722 1.00 0.00 C ATOM 832 CG ARG A 54 10.908 9.542 1.365 1.00 0.00 C ATOM 833 CD ARG A 54 10.922 9.884 2.853 1.00 0.00 C ATOM 834 NE ARG A 54 12.052 9.242 3.528 1.00 0.00 N ATOM 835 CZ ARG A 54 12.261 9.315 4.849 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.435 10.033 5.620 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.294 8.668 5.401 1.00 0.00 N ATOM 0 H ARG A 54 7.626 9.687 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 54 10.489 10.425 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.541 11.154 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.762 9.600 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.959 8.462 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.785 9.966 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.984 10.965 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.988 9.561 3.313 1.00 0.00 H new ATOM 0 HE ARG A 54 12.715 8.711 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.646 10.525 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.595 10.088 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.923 8.119 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.452 8.724 6.407 1.00 0.00 H new ATOM 851 N THR A 55 11.121 7.957 -1.126 1.00 0.00 N ATOM 852 CA THR A 55 11.488 6.577 -1.385 1.00 0.00 C ATOM 853 C THR A 55 10.822 5.679 -0.350 1.00 0.00 C ATOM 854 O THR A 55 11.121 5.771 0.839 1.00 0.00 O ATOM 855 CB THR A 55 13.011 6.459 -1.316 1.00 0.00 C ATOM 856 OG1 THR A 55 13.591 7.389 -2.205 1.00 0.00 O ATOM 857 CG2 THR A 55 13.458 5.053 -1.699 1.00 0.00 C ATOM 0 H THR A 55 11.919 8.563 -0.936 1.00 0.00 H new ATOM 0 HA THR A 55 11.153 6.265 -2.374 1.00 0.00 H new ATOM 0 HB THR A 55 13.333 6.664 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.567 7.317 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.545 4.989 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.017 4.331 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.133 4.832 -2.716 1.00 0.00 H new ATOM 865 N LEU A 56 9.892 4.833 -0.800 1.00 0.00 N ATOM 866 CA LEU A 56 9.112 4.000 0.095 1.00 0.00 C ATOM 867 C LEU A 56 9.996 3.015 0.856 1.00 0.00 C ATOM 868 O LEU A 56 9.688 2.677 1.998 1.00 0.00 O ATOM 869 CB LEU A 56 8.027 3.271 -0.704 1.00 0.00 C ATOM 870 CG LEU A 56 8.623 2.355 -1.777 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.804 0.938 -1.234 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.663 2.293 -2.962 1.00 0.00 C ATOM 0 H LEU A 56 9.666 4.712 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 56 8.636 4.637 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.411 2.681 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.371 4.002 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 56 9.592 2.753 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.228 0.302 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.476 0.960 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.837 0.540 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.078 1.643 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.703 1.897 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.522 3.294 -3.369 1.00 0.00 H new ATOM 884 N SER A 57 11.108 2.581 0.255 1.00 0.00 N ATOM 885 CA SER A 57 11.968 1.600 0.895 1.00 0.00 C ATOM 886 C SER A 57 12.749 2.240 2.036 1.00 0.00 C ATOM 887 O SER A 57 13.144 1.556 2.978 1.00 0.00 O ATOM 888 CB SER A 57 12.925 1.011 -0.137 1.00 0.00 C ATOM 889 OG SER A 57 13.746 2.032 -0.661 1.00 0.00 O ATOM 0 H SER A 57 11.425 2.893 -0.663 1.00 0.00 H new ATOM 0 HA SER A 57 11.351 0.802 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.539 0.237 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.362 0.536 -0.940 1.00 0.00 H new ATOM 0 HG SER A 57 13.375 2.346 -1.512 1.00 0.00 H new ATOM 895 N ASP A 58 12.945 3.558 1.968 1.00 0.00 N ATOM 896 CA ASP A 58 13.655 4.281 3.005 1.00 0.00 C ATOM 897 C ASP A 58 12.665 4.790 4.045 1.00 0.00 C ATOM 898 O ASP A 58 13.061 5.190 5.138 1.00 0.00 O ATOM 899 CB ASP A 58 14.415 5.445 2.375 1.00 0.00 C ATOM 900 CG ASP A 58 15.229 6.196 3.419 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.941 7.398 3.608 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.169 5.575 3.961 1.00 0.00 O ATOM 0 H ASP A 58 12.617 4.142 1.199 1.00 0.00 H new ATOM 0 HA ASP A 58 14.366 3.618 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.076 5.071 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.711 6.127 1.898 1.00 0.00 H new ATOM 907 N TYR A 59 11.375 4.763 3.704 1.00 0.00 N ATOM 908 CA TYR A 59 10.337 5.264 4.581 1.00 0.00 C ATOM 909 C TYR A 59 10.010 4.241 5.664 1.00 0.00 C ATOM 910 O TYR A 59 10.274 4.485 6.840 1.00 0.00 O ATOM 911 CB TYR A 59 9.101 5.612 3.753 1.00 0.00 C ATOM 912 CG TYR A 59 8.365 6.832 4.256 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.053 7.871 3.369 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.993 6.923 5.604 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.362 9.002 3.824 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.302 8.050 6.068 1.00 0.00 C ATOM 917 CZ TYR A 59 6.982 9.094 5.178 1.00 0.00 C ATOM 918 OH TYR A 59 6.307 10.191 5.624 1.00 0.00 O ATOM 0 H TYR A 59 11.031 4.394 2.817 1.00 0.00 H new ATOM 0 HA TYR A 59 10.688 6.167 5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.401 5.779 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.421 4.760 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.346 7.800 2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.239 6.123 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.121 9.801 3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.015 8.118 7.107 1.00 0.00 H new ATOM 0 HH TYR A 59 6.121 10.094 6.581 1.00 0.00 H new ATOM 928 N ASN A 60 9.405 3.111 5.281 1.00 0.00 N ATOM 929 CA ASN A 60 9.018 2.090 6.242 1.00 0.00 C ATOM 930 C ASN A 60 8.936 0.719 5.579 1.00 0.00 C ATOM 931 O ASN A 60 9.050 -0.299 6.259 1.00 0.00 O ATOM 932 CB ASN A 60 7.655 2.445 6.835 1.00 0.00 C ATOM 933 CG ASN A 60 7.786 3.445 7.975 1.00 0.00 C ATOM 934 OD1 ASN A 60 7.089 4.577 7.864 1.00 0.00 O flip ATOM 935 ND2 ASN A 60 8.467 3.178 8.962 1.00 0.00 N flip ATOM 0 H ASN A 60 9.176 2.887 4.313 1.00 0.00 H new ATOM 0 HA ASN A 60 9.773 2.051 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.016 2.861 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.168 1.540 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.984 2.299 9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.516 3.835 9.741 1.00 0.00 H new ATOM 942 N ILE A 61 8.659 0.683 4.273 1.00 0.00 N ATOM 943 CA ILE A 61 8.481 -0.572 3.563 1.00 0.00 C ATOM 944 C ILE A 61 9.716 -1.447 3.741 1.00 0.00 C ATOM 945 O ILE A 61 10.843 -0.962 3.668 1.00 0.00 O ATOM 946 CB ILE A 61 8.206 -0.294 2.082 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.727 0.046 1.885 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.516 -1.545 1.259 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.420 1.439 2.433 1.00 0.00 C ATOM 0 H ILE A 61 8.554 1.514 3.691 1.00 0.00 H new ATOM 0 HA ILE A 61 7.625 -1.107 3.974 1.00 0.00 H new ATOM 0 HB ILE A 61 8.832 0.539 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.476 0.002 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.107 -0.695 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.320 -1.345 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.564 -1.815 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.885 -2.368 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.364 1.664 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.651 1.470 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.026 2.178 1.908 1.00 0.00 H new ATOM 961 N GLN A 62 9.492 -2.745 3.960 1.00 0.00 N ATOM 962 CA GLN A 62 10.565 -3.707 4.120 1.00 0.00 C ATOM 963 C GLN A 62 10.268 -4.930 3.259 1.00 0.00 C ATOM 964 O GLN A 62 9.153 -5.088 2.766 1.00 0.00 O ATOM 965 CB GLN A 62 10.678 -4.095 5.593 1.00 0.00 C ATOM 966 CG GLN A 62 11.356 -2.977 6.382 1.00 0.00 C ATOM 967 CD GLN A 62 11.392 -3.306 7.869 1.00 0.00 C ATOM 968 OE1 GLN A 62 10.722 -4.233 8.320 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.182 -2.549 8.631 1.00 0.00 N ATOM 0 H GLN A 62 8.559 -3.150 4.030 1.00 0.00 H new ATOM 0 HA GLN A 62 11.513 -3.274 3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.687 -4.290 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.250 -5.018 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.371 -2.830 6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.821 -2.040 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.720 -1.790 8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.249 -2.729 9.633 1.00 0.00 H new ATOM 978 N LYS A 63 11.270 -5.794 3.083 1.00 0.00 N ATOM 979 CA LYS A 63 11.135 -6.982 2.260 1.00 0.00 C ATOM 980 C LYS A 63 10.129 -7.951 2.872 1.00 0.00 C ATOM 981 O LYS A 63 10.259 -8.345 4.029 1.00 0.00 O ATOM 982 CB LYS A 63 12.502 -7.640 2.066 1.00 0.00 C ATOM 983 CG LYS A 63 13.143 -8.003 3.403 1.00 0.00 C ATOM 984 CD LYS A 63 14.506 -8.635 3.138 1.00 0.00 C ATOM 985 CE LYS A 63 15.161 -9.018 4.461 1.00 0.00 C ATOM 986 NZ LYS A 63 16.469 -9.651 4.236 1.00 0.00 N ATOM 0 H LYS A 63 12.191 -5.684 3.508 1.00 0.00 H new ATOM 0 HA LYS A 63 10.754 -6.694 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.392 -8.538 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.158 -6.963 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.253 -7.113 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.505 -8.696 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.392 -9.518 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.142 -7.936 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.284 -8.130 5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.511 -9.701 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.895 -9.903 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.345 -10.511 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.094 -8.988 3.734 1.00 0.00 H new ATOM 1000 N GLU A 64 9.116 -8.319 2.083 1.00 0.00 N ATOM 1001 CA GLU A 64 8.081 -9.255 2.485 1.00 0.00 C ATOM 1002 C GLU A 64 7.531 -8.912 3.864 1.00 0.00 C ATOM 1003 O GLU A 64 7.224 -9.808 4.649 1.00 0.00 O ATOM 1004 CB GLU A 64 8.636 -10.680 2.449 1.00 0.00 C ATOM 1005 CG GLU A 64 9.043 -11.059 1.025 1.00 0.00 C ATOM 1006 CD GLU A 64 10.406 -10.481 0.666 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.444 -9.647 -0.265 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.389 -10.898 1.317 1.00 0.00 O ATOM 0 H GLU A 64 8.997 -7.965 1.134 1.00 0.00 H new ATOM 0 HA GLU A 64 7.251 -9.183 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.497 -10.758 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.885 -11.379 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.069 -12.144 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.294 -10.695 0.321 1.00 0.00 H new ATOM 1015 N SER A 65 7.345 -7.618 4.138 1.00 0.00 N ATOM 1016 CA SER A 65 6.745 -7.186 5.385 1.00 0.00 C ATOM 1017 C SER A 65 5.297 -6.788 5.131 1.00 0.00 C ATOM 1018 O SER A 65 4.877 -6.658 3.982 1.00 0.00 O ATOM 1019 CB SER A 65 7.545 -6.023 5.966 1.00 0.00 C ATOM 1020 OG SER A 65 8.820 -6.485 6.352 1.00 0.00 O ATOM 0 H SER A 65 7.604 -6.859 3.508 1.00 0.00 H new ATOM 0 HA SER A 65 6.759 -8.000 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.642 -5.227 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.023 -5.600 6.824 1.00 0.00 H new ATOM 0 HG SER A 65 9.077 -6.066 7.200 1.00 0.00 H new ATOM 1026 N THR A 66 4.531 -6.599 6.207 1.00 0.00 N ATOM 1027 CA THR A 66 3.112 -6.322 6.099 1.00 0.00 C ATOM 1028 C THR A 66 2.824 -4.844 6.331 1.00 0.00 C ATOM 1029 O THR A 66 3.340 -4.247 7.273 1.00 0.00 O ATOM 1030 CB THR A 66 2.357 -7.187 7.105 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.724 -8.537 6.924 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.852 -7.038 6.895 1.00 0.00 C ATOM 0 H THR A 66 4.880 -6.635 7.165 1.00 0.00 H new ATOM 0 HA THR A 66 2.776 -6.564 5.091 1.00 0.00 H new ATOM 0 HB THR A 66 2.609 -6.867 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.243 -9.096 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.321 -7.658 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.567 -5.995 7.034 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.593 -7.354 5.885 1.00 0.00 H new ATOM 1040 N LEU A 67 1.969 -4.268 5.482 1.00 0.00 N ATOM 1041 CA LEU A 67 1.507 -2.901 5.641 1.00 0.00 C ATOM 1042 C LEU A 67 0.032 -2.926 6.023 1.00 0.00 C ATOM 1043 O LEU A 67 -0.579 -3.992 6.072 1.00 0.00 O ATOM 1044 CB LEU A 67 1.726 -2.118 4.345 1.00 0.00 C ATOM 1045 CG LEU A 67 3.072 -1.391 4.381 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.231 -2.374 4.226 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.123 -0.389 3.231 1.00 0.00 C ATOM 0 H LEU A 67 1.582 -4.743 4.667 1.00 0.00 H new ATOM 0 HA LEU A 67 2.072 -2.403 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.695 -2.797 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.920 -1.397 4.208 1.00 0.00 H new ATOM 0 HG LEU A 67 3.168 -0.886 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.175 -1.831 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.204 -3.099 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.141 -2.895 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.079 0.135 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.015 -0.917 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.312 0.331 3.340 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.541 -1.752 6.293 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.919 -1.661 6.737 1.00 0.00 C ATOM 1061 C HIS A 68 -2.670 -0.672 5.854 1.00 0.00 C ATOM 1062 O HIS A 68 -2.434 0.532 5.927 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.943 -1.236 8.205 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.299 -1.371 8.843 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.489 -0.966 8.310 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -3.559 -1.972 10.050 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -5.504 -1.318 9.207 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.890 -1.922 10.245 1.00 0.00 N flip ATOM 0 H HIS A 68 -0.065 -0.854 6.210 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.413 -2.629 6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.226 -1.839 8.762 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.615 -0.199 8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.830 -2.405 10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.563 -1.142 9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.369 -2.291 11.066 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.538 -1.190 4.982 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.288 -0.368 4.050 1.00 0.00 C ATOM 1078 C LEU A 69 -5.665 -0.060 4.629 1.00 0.00 C ATOM 1079 O LEU A 69 -6.243 -0.888 5.331 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.420 -1.124 2.726 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.032 -0.241 1.636 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.993 0.753 1.125 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.487 -1.117 0.472 1.00 0.00 C ATOM 0 H LEU A 69 -3.735 -2.188 4.908 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.769 0.575 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.438 -1.473 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.041 -2.008 2.871 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.881 0.301 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.437 1.377 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.656 1.382 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.143 0.210 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.923 -0.491 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.631 -1.656 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.232 -1.831 0.823 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.207 1.113 4.294 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.532 1.520 4.722 1.00 0.00 C ATOM 1097 C ALA A 70 -8.344 1.914 3.496 1.00 0.00 C ATOM 1098 O ALA A 70 -7.800 2.498 2.560 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.417 2.687 5.700 1.00 0.00 C ATOM 0 H ALA A 70 -5.731 1.805 3.715 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.036 0.698 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.413 2.992 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.835 2.378 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.921 3.525 5.210 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.636 1.576 3.487 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.488 1.850 2.344 1.00 0.00 C ATOM 1107 C LEU A 71 -11.659 2.732 2.763 1.00 0.00 C ATOM 1108 O LEU A 71 -11.879 2.963 3.951 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.012 0.537 1.748 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.924 -0.286 1.048 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.097 0.597 0.115 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.013 -0.991 2.052 1.00 0.00 C ATOM 0 H LEU A 71 -10.108 1.112 4.263 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.902 2.373 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.457 -0.062 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.805 0.761 1.034 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.426 -1.053 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.331 -0.006 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.747 1.037 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.622 1.391 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.256 -1.563 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.527 -0.249 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.606 -1.664 2.671 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.419 3.209 1.774 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.587 4.040 2.004 1.00 0.00 C ATOM 1126 C ARG A 72 -14.726 3.204 2.578 1.00 0.00 C ATOM 1127 O ARG A 72 -14.660 1.977 2.582 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.018 4.674 0.683 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.305 3.573 -0.338 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.857 4.180 -1.624 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.201 4.722 -1.418 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.973 5.166 -2.418 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.505 5.178 -3.672 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.217 5.592 -2.165 1.00 0.00 N ATOM 0 H ARG A 72 -12.234 3.024 0.788 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.338 4.822 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.907 5.286 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.235 5.335 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.392 3.018 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.021 2.862 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.192 4.971 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.884 3.421 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.567 4.763 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.559 4.849 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.094 5.516 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.577 5.578 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.805 5.930 -2.927 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.785 3.877 3.035 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.968 3.208 3.542 1.00 0.00 C ATOM 1150 C LEU A 73 -17.804 2.709 2.369 1.00 0.00 C ATOM 1151 O LEU A 73 -17.599 3.134 1.233 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.785 4.191 4.380 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.974 4.698 5.574 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.783 5.762 6.313 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.664 3.548 6.531 1.00 0.00 C ATOM 0 H LEU A 73 -15.839 4.895 3.061 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.677 2.361 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.093 5.034 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.695 3.705 4.733 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.037 5.122 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.210 6.128 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.997 6.590 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.719 5.328 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.087 3.923 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.596 3.114 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.088 2.785 6.008 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.785 1.847 2.652 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.698 1.365 1.632 1.00 0.00 C ATOM 1169 C ARG A 74 -20.846 2.356 1.475 1.00 0.00 C ATOM 1170 O ARG A 74 -21.358 2.548 0.374 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.220 -0.017 2.022 1.00 0.00 C ATOM 1172 CG ARG A 74 -20.995 -0.623 0.851 1.00 0.00 C ATOM 1173 CD ARG A 74 -21.415 -2.053 1.188 1.00 0.00 C ATOM 1174 NE ARG A 74 -22.332 -2.076 2.328 1.00 0.00 N ATOM 1175 CZ ARG A 74 -22.685 -3.194 2.977 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -22.178 -4.376 2.603 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -23.541 -3.127 4.002 1.00 0.00 N ATOM 0 H ARG A 74 -18.961 1.472 3.584 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.178 1.278 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.389 -0.667 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.865 0.061 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -21.875 -0.018 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.377 -0.619 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.895 -2.508 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.532 -2.651 1.415 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.725 -1.190 2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.522 -4.426 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.448 -5.226 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.924 -2.226 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.811 -3.977 4.497 1.00 0.00 H new ATOM 1191 N GLY A 75 -21.243 2.988 2.584 1.00 0.00 N ATOM 1192 CA GLY A 75 -22.305 3.977 2.585 1.00 0.00 C ATOM 1193 C GLY A 75 -23.490 3.491 3.412 1.00 0.00 C ATOM 1194 O GLY A 75 -24.442 4.238 3.628 1.00 0.00 O ATOM 0 H GLY A 75 -20.832 2.822 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.933 4.918 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.625 4.176 1.562 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.414 2.254 3.908 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.472 1.672 4.711 1.00 0.00 C ATOM 1200 C GLY A 76 -24.280 0.166 4.798 1.00 0.00 C ATOM 1201 O GLY A 76 -24.864 -0.432 5.727 1.00 0.00 O ATOM 0 H GLY A 76 -22.616 1.636 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.465 2.108 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.443 1.900 4.271 1.00 0.00 H new TER 1205 GLY A 76