USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 18 THR OG1 : rot -43:sc= 0.132 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0.039 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.1) USER MOD Single : A 7 MET CE :methyl -136:sc= -0.404 (180deg=-1.45) USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= 0.839 (180deg=-0.518!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.94) USER MOD Single : A 32 GLN : amide:sc= -0.038 K(o=-0.038,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.942 K(o=0.94,f=-0.024) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 113:sc= 1.15 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 50 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 53 SER OG : rot 97:sc= 1.2 USER MOD Single : A 57 MET CE :methyl -179:sc= -0.69 (180deg=-0.696) USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= 2.17 (180deg=-3.11!) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 1.11 (180deg=0.705) USER MOD Single : A 60 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.1!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.660 7.360 8.217 1.00 0.00 N ATOM 26 CA VAL A 3 -3.302 7.856 8.201 1.00 0.00 C ATOM 27 C VAL A 3 -2.616 7.407 6.923 1.00 0.00 C ATOM 28 O VAL A 3 -2.866 6.314 6.413 1.00 0.00 O ATOM 29 CB VAL A 3 -2.496 7.434 9.433 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.592 8.491 10.536 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.963 6.079 9.942 1.00 0.00 C ATOM 0 HA VAL A 3 -3.348 8.945 8.232 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.450 7.346 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.012 8.169 11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.198 9.438 10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.635 8.620 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.378 5.798 10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.017 6.136 10.213 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.829 5.331 9.161 1.00 0.00 H new ATOM 41 N VAL A 4 -1.750 8.284 6.425 1.00 0.00 N ATOM 42 CA VAL A 4 -0.965 8.101 5.233 1.00 0.00 C ATOM 43 C VAL A 4 0.235 7.208 5.560 1.00 0.00 C ATOM 44 O VAL A 4 1.027 7.523 6.445 1.00 0.00 O ATOM 45 CB VAL A 4 -0.557 9.492 4.719 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.528 9.380 3.654 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.776 10.213 4.126 1.00 0.00 C ATOM 0 H VAL A 4 -1.576 9.184 6.873 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.526 7.601 4.444 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.167 10.063 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.800 10.376 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.405 8.892 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.155 8.792 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.477 11.197 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.177 9.629 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.541 10.326 4.894 1.00 0.00 H new ATOM 57 N LEU A 5 0.371 6.110 4.819 1.00 0.00 N ATOM 58 CA LEU A 5 1.527 5.230 4.787 1.00 0.00 C ATOM 59 C LEU A 5 2.232 5.463 3.457 1.00 0.00 C ATOM 60 O LEU A 5 1.551 5.618 2.443 1.00 0.00 O ATOM 61 CB LEU A 5 1.041 3.785 4.860 1.00 0.00 C ATOM 62 CG LEU A 5 2.087 2.745 4.426 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.379 2.719 5.256 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.387 1.403 4.545 1.00 0.00 C ATOM 0 H LEU A 5 -0.368 5.797 4.190 1.00 0.00 H new ATOM 0 HA LEU A 5 2.202 5.425 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.733 3.569 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.157 3.679 4.231 1.00 0.00 H new ATOM 0 HG LEU A 5 2.422 2.996 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.047 1.951 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.869 3.691 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.139 2.497 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.072 0.608 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.072 1.247 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.514 1.389 3.893 1.00 0.00 H new ATOM 76 N LYS A 6 3.570 5.420 3.447 1.00 0.00 N ATOM 77 CA LYS A 6 4.363 5.296 2.235 1.00 0.00 C ATOM 78 C LYS A 6 5.038 3.918 2.225 1.00 0.00 C ATOM 79 O LYS A 6 5.792 3.601 3.144 1.00 0.00 O ATOM 80 CB LYS A 6 5.378 6.445 2.152 1.00 0.00 C ATOM 81 CG LYS A 6 5.963 6.514 0.735 1.00 0.00 C ATOM 82 CD LYS A 6 5.855 7.908 0.100 1.00 0.00 C ATOM 83 CE LYS A 6 6.956 8.875 0.561 1.00 0.00 C ATOM 84 NZ LYS A 6 7.374 9.771 -0.537 1.00 0.00 N ATOM 0 H LYS A 6 4.132 5.472 4.296 1.00 0.00 H new ATOM 0 HA LYS A 6 3.728 5.370 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.895 7.389 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.176 6.292 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.011 6.218 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.447 5.793 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.899 7.809 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.882 8.335 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.594 9.469 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.816 8.308 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.948 10.548 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.937 9.234 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.532 10.162 -1.005 1.00 0.00 H new ATOM 98 N MET A 7 4.767 3.099 1.206 1.00 0.00 N ATOM 99 CA MET A 7 5.341 1.769 1.034 1.00 0.00 C ATOM 100 C MET A 7 6.289 1.761 -0.173 1.00 0.00 C ATOM 101 O MET A 7 6.192 2.626 -1.046 1.00 0.00 O ATOM 102 CB MET A 7 4.212 0.732 0.879 1.00 0.00 C ATOM 103 CG MET A 7 3.601 0.769 -0.526 1.00 0.00 C ATOM 104 SD MET A 7 2.290 -0.419 -0.918 1.00 0.00 S ATOM 105 CE MET A 7 3.199 -1.950 -0.649 1.00 0.00 C ATOM 0 H MET A 7 4.123 3.354 0.457 1.00 0.00 H new ATOM 0 HA MET A 7 5.924 1.501 1.915 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.603 -0.265 1.080 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.436 0.925 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.204 1.771 -0.690 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.408 0.624 -1.244 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.984 -2.648 -1.459 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.268 -1.739 -0.626 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.895 -2.391 0.300 1.00 0.00 H new ATOM 115 N LYS A 8 7.150 0.742 -0.239 1.00 0.00 N ATOM 116 CA LYS A 8 7.962 0.395 -1.396 1.00 0.00 C ATOM 117 C LYS A 8 7.257 -0.719 -2.176 1.00 0.00 C ATOM 118 O LYS A 8 6.940 -1.766 -1.607 1.00 0.00 O ATOM 119 CB LYS A 8 9.352 -0.078 -0.942 1.00 0.00 C ATOM 120 CG LYS A 8 10.387 1.053 -0.915 1.00 0.00 C ATOM 121 CD LYS A 8 10.812 1.476 -2.335 1.00 0.00 C ATOM 122 CE LYS A 8 12.330 1.384 -2.558 1.00 0.00 C ATOM 123 NZ LYS A 8 12.778 0.005 -2.856 1.00 0.00 N ATOM 0 H LYS A 8 7.303 0.113 0.549 1.00 0.00 H new ATOM 0 HA LYS A 8 8.087 1.270 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.274 -0.516 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.699 -0.865 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.972 1.913 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.264 0.729 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.304 0.845 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.485 2.500 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.613 2.040 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.847 1.746 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.630 -0.211 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.023 -0.666 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.996 -0.078 -3.869 1.00 0.00 H new ATOM 137 N VAL A 9 7.040 -0.487 -3.472 1.00 0.00 N ATOM 138 CA VAL A 9 6.517 -1.433 -4.451 1.00 0.00 C ATOM 139 C VAL A 9 7.618 -1.649 -5.490 1.00 0.00 C ATOM 140 O VAL A 9 7.560 -1.130 -6.602 1.00 0.00 O ATOM 141 CB VAL A 9 5.221 -0.888 -5.083 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.577 -1.934 -5.998 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.204 -0.509 -4.006 1.00 0.00 C ATOM 0 H VAL A 9 7.238 0.423 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 9 6.254 -2.385 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 9 5.495 -0.006 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.664 -1.525 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.272 -2.197 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.336 -2.825 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.299 -0.127 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.959 -1.389 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.628 0.260 -3.360 1.00 0.00 H new ATOM 153 N GLU A 10 8.662 -2.372 -5.090 1.00 0.00 N ATOM 154 CA GLU A 10 9.777 -2.716 -5.960 1.00 0.00 C ATOM 155 C GLU A 10 9.460 -3.941 -6.830 1.00 0.00 C ATOM 156 O GLU A 10 8.364 -4.499 -6.765 1.00 0.00 O ATOM 157 CB GLU A 10 11.081 -2.709 -5.168 1.00 0.00 C ATOM 158 CG GLU A 10 11.067 -3.832 -4.144 1.00 0.00 C ATOM 159 CD GLU A 10 11.663 -3.487 -2.777 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.799 -2.274 -2.482 1.00 0.00 O ATOM 161 OE2 GLU A 10 11.950 -4.433 -2.019 1.00 0.00 O ATOM 0 H GLU A 10 8.755 -2.738 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 10 9.939 -1.949 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.928 -2.831 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.208 -1.749 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.036 -4.155 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.613 -4.681 -4.555 1.00 0.00 H new ATOM 168 N GLY A 11 10.382 -4.315 -7.719 1.00 0.00 N ATOM 169 CA GLY A 11 10.170 -5.405 -8.663 1.00 0.00 C ATOM 170 C GLY A 11 9.292 -4.979 -9.844 1.00 0.00 C ATOM 171 O GLY A 11 9.718 -5.095 -10.991 1.00 0.00 O ATOM 0 H GLY A 11 11.295 -3.869 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.133 -5.755 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.703 -6.245 -8.148 1.00 0.00 H new ATOM 256 N THR A 18 -0.072 -0.679 -11.650 1.00 0.00 N ATOM 257 CA THR A 18 -0.536 0.321 -10.703 1.00 0.00 C ATOM 258 C THR A 18 -2.015 0.037 -10.475 1.00 0.00 C ATOM 259 O THR A 18 -2.383 -0.498 -9.440 1.00 0.00 O ATOM 260 CB THR A 18 -0.315 1.734 -11.274 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.896 1.833 -12.564 1.00 0.00 O ATOM 262 CG2 THR A 18 1.169 2.057 -11.427 1.00 0.00 C ATOM 0 HA THR A 18 0.012 0.275 -9.762 1.00 0.00 H new ATOM 0 HB THR A 18 -0.774 2.431 -10.573 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.686 1.027 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.283 3.062 -11.833 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.656 2.001 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.630 1.338 -12.105 1.00 0.00 H new ATOM 270 N SER A 19 -2.872 0.337 -11.450 1.00 0.00 N ATOM 271 CA SER A 19 -4.310 0.360 -11.252 1.00 0.00 C ATOM 272 C SER A 19 -4.884 -0.941 -10.710 1.00 0.00 C ATOM 273 O SER A 19 -5.763 -0.912 -9.853 1.00 0.00 O ATOM 274 CB SER A 19 -4.993 0.793 -12.551 1.00 0.00 C ATOM 275 OG SER A 19 -4.237 1.832 -13.148 1.00 0.00 O ATOM 0 H SER A 19 -2.582 0.571 -12.400 1.00 0.00 H new ATOM 0 HA SER A 19 -4.518 1.090 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.074 -0.053 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.007 1.136 -12.346 1.00 0.00 H new ATOM 0 HG SER A 19 -4.668 2.113 -13.982 1.00 0.00 H new ATOM 281 N THR A 20 -4.366 -2.074 -11.178 1.00 0.00 N ATOM 282 CA THR A 20 -4.697 -3.365 -10.601 1.00 0.00 C ATOM 283 C THR A 20 -4.440 -3.360 -9.093 1.00 0.00 C ATOM 284 O THR A 20 -5.332 -3.685 -8.308 1.00 0.00 O ATOM 285 CB THR A 20 -3.932 -4.470 -11.358 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.743 -4.933 -12.416 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.532 -5.647 -10.469 1.00 0.00 C ATOM 0 H THR A 20 -3.712 -2.119 -11.960 1.00 0.00 H new ATOM 0 HA THR A 20 -5.760 -3.575 -10.717 1.00 0.00 H new ATOM 0 HB THR A 20 -3.005 -4.032 -11.728 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.269 -5.635 -12.908 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.998 -6.388 -11.064 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.886 -5.293 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.426 -6.101 -10.042 1.00 0.00 H new ATOM 295 N ILE A 21 -3.225 -2.987 -8.688 1.00 0.00 N ATOM 296 CA ILE A 21 -2.849 -2.884 -7.296 1.00 0.00 C ATOM 297 C ILE A 21 -3.792 -1.896 -6.611 1.00 0.00 C ATOM 298 O ILE A 21 -4.416 -2.261 -5.620 1.00 0.00 O ATOM 299 CB ILE A 21 -1.349 -2.530 -7.208 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.486 -3.759 -7.550 1.00 0.00 C ATOM 301 CG2 ILE A 21 -0.916 -1.960 -5.856 1.00 0.00 C ATOM 302 CD1 ILE A 21 0.022 -3.727 -8.991 1.00 0.00 C ATOM 0 H ILE A 21 -2.472 -2.747 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.960 -3.827 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.194 -1.737 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.363 -3.805 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.070 -4.666 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.151 -1.739 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.472 -1.045 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.118 -2.690 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.625 -4.614 -9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.826 -3.709 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.630 -2.835 -9.143 1.00 0.00 H new ATOM 314 N GLU A 22 -3.940 -0.681 -7.147 1.00 0.00 N ATOM 315 CA GLU A 22 -4.720 0.373 -6.523 1.00 0.00 C ATOM 316 C GLU A 22 -6.150 -0.105 -6.284 1.00 0.00 C ATOM 317 O GLU A 22 -6.604 -0.245 -5.154 1.00 0.00 O ATOM 318 CB GLU A 22 -4.714 1.632 -7.401 1.00 0.00 C ATOM 319 CG GLU A 22 -3.330 2.293 -7.469 1.00 0.00 C ATOM 320 CD GLU A 22 -3.375 3.647 -8.167 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.374 3.895 -8.874 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.403 4.409 -7.970 1.00 0.00 O ATOM 0 H GLU A 22 -3.516 -0.407 -8.033 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.270 0.622 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.038 1.370 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.437 2.348 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.939 2.419 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.640 1.636 -7.998 1.00 0.00 H new ATOM 329 N GLY A 23 -6.848 -0.361 -7.380 1.00 0.00 N ATOM 330 CA GLY A 23 -8.211 -0.855 -7.435 1.00 0.00 C ATOM 331 C GLY A 23 -8.429 -2.053 -6.514 1.00 0.00 C ATOM 332 O GLY A 23 -9.356 -2.041 -5.706 1.00 0.00 O ATOM 0 H GLY A 23 -6.452 -0.220 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.897 -0.055 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.452 -1.138 -8.460 1.00 0.00 H new ATOM 336 N LYS A 24 -7.595 -3.095 -6.626 1.00 0.00 N ATOM 337 CA LYS A 24 -7.758 -4.279 -5.795 1.00 0.00 C ATOM 338 C LYS A 24 -7.609 -3.904 -4.323 1.00 0.00 C ATOM 339 O LYS A 24 -8.488 -4.196 -3.513 1.00 0.00 O ATOM 340 CB LYS A 24 -6.785 -5.383 -6.231 1.00 0.00 C ATOM 341 CG LYS A 24 -7.036 -6.697 -5.474 1.00 0.00 C ATOM 342 CD LYS A 24 -6.510 -7.889 -6.287 1.00 0.00 C ATOM 343 CE LYS A 24 -6.805 -9.214 -5.568 1.00 0.00 C ATOM 344 NZ LYS A 24 -6.449 -10.389 -6.393 1.00 0.00 N ATOM 0 H LYS A 24 -6.812 -3.136 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.762 -4.683 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.888 -5.556 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.760 -5.054 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.543 -6.665 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.103 -6.818 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.973 -7.895 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.436 -7.785 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.249 -9.248 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.864 -9.259 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.665 -11.260 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.998 -10.372 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.433 -10.362 -6.616 1.00 0.00 H new ATOM 358 N ILE A 25 -6.512 -3.235 -3.970 1.00 0.00 N ATOM 359 CA ILE A 25 -6.254 -2.795 -2.615 1.00 0.00 C ATOM 360 C ILE A 25 -7.366 -1.868 -2.112 1.00 0.00 C ATOM 361 O ILE A 25 -7.702 -1.890 -0.932 1.00 0.00 O ATOM 362 CB ILE A 25 -4.848 -2.182 -2.569 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.735 -3.212 -2.804 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.612 -1.333 -1.331 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.617 -4.187 -1.645 1.00 0.00 C ATOM 0 H ILE A 25 -5.775 -2.985 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.269 -3.636 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.800 -1.496 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.937 -3.762 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.785 -2.696 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.601 -0.927 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.331 -0.514 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.735 -1.948 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.818 -4.900 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.389 -3.639 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.559 -4.722 -1.522 1.00 0.00 H new ATOM 377 N GLY A 26 -7.991 -1.109 -3.008 1.00 0.00 N ATOM 378 CA GLY A 26 -9.139 -0.266 -2.726 1.00 0.00 C ATOM 379 C GLY A 26 -10.319 -1.023 -2.112 1.00 0.00 C ATOM 380 O GLY A 26 -11.177 -0.391 -1.501 1.00 0.00 O ATOM 0 H GLY A 26 -7.698 -1.066 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.836 0.531 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.465 0.210 -3.650 1.00 0.00 H new ATOM 384 N LYS A 27 -10.396 -2.353 -2.261 1.00 0.00 N ATOM 385 CA LYS A 27 -11.450 -3.138 -1.656 1.00 0.00 C ATOM 386 C LYS A 27 -11.048 -3.608 -0.257 1.00 0.00 C ATOM 387 O LYS A 27 -11.888 -4.150 0.459 1.00 0.00 O ATOM 388 CB LYS A 27 -11.788 -4.311 -2.584 1.00 0.00 C ATOM 389 CG LYS A 27 -12.805 -3.881 -3.649 1.00 0.00 C ATOM 390 CD LYS A 27 -13.165 -5.054 -4.571 1.00 0.00 C ATOM 391 CE LYS A 27 -14.415 -4.710 -5.398 1.00 0.00 C ATOM 392 NZ LYS A 27 -14.805 -5.804 -6.312 1.00 0.00 N ATOM 0 H LYS A 27 -9.728 -2.900 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.342 -2.525 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.880 -4.674 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.192 -5.139 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.706 -3.504 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.394 -3.062 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.329 -5.275 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.347 -5.950 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.243 -4.490 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.227 -3.806 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.652 -5.524 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.026 -5.998 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.012 -6.661 -5.760 1.00 0.00 H new ATOM 406 N LEU A 28 -9.783 -3.443 0.149 1.00 0.00 N ATOM 407 CA LEU A 28 -9.332 -3.958 1.414 1.00 0.00 C ATOM 408 C LEU A 28 -9.996 -3.217 2.566 1.00 0.00 C ATOM 409 O LEU A 28 -10.022 -1.987 2.631 1.00 0.00 O ATOM 410 CB LEU A 28 -7.820 -3.841 1.559 1.00 0.00 C ATOM 411 CG LEU A 28 -6.944 -4.697 0.635 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.194 -5.699 1.496 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.694 -5.505 -0.422 1.00 0.00 C ATOM 0 H LEU A 28 -9.067 -2.956 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.609 -5.012 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.549 -2.797 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.562 -4.089 2.589 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.308 -3.991 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.562 -6.322 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.573 -5.167 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.908 -6.328 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.981 -6.073 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.385 -6.191 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.252 -4.828 -1.069 1.00 0.00 H new ATOM 425 N GLN A 29 -10.475 -4.018 3.507 1.00 0.00 N ATOM 426 CA GLN A 29 -11.069 -3.567 4.748 1.00 0.00 C ATOM 427 C GLN A 29 -10.095 -2.639 5.483 1.00 0.00 C ATOM 428 O GLN A 29 -9.096 -3.092 6.035 1.00 0.00 O ATOM 429 CB GLN A 29 -11.544 -4.790 5.546 1.00 0.00 C ATOM 430 CG GLN A 29 -10.380 -5.689 5.975 1.00 0.00 C ATOM 431 CD GLN A 29 -10.776 -7.142 6.222 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.948 -7.504 6.174 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.792 -8.002 6.464 1.00 0.00 N ATOM 0 H GLN A 29 -10.458 -5.034 3.420 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.958 -2.960 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.088 -4.456 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.243 -5.367 4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.609 -5.659 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.938 -5.284 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.826 -7.675 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.003 -8.989 6.615 1.00 0.00 H new ATOM 442 N GLY A 30 -10.368 -1.331 5.452 1.00 0.00 N ATOM 443 CA GLY A 30 -9.563 -0.318 6.120 1.00 0.00 C ATOM 444 C GLY A 30 -9.070 0.769 5.178 1.00 0.00 C ATOM 445 O GLY A 30 -8.805 1.880 5.636 1.00 0.00 O ATOM 0 H GLY A 30 -11.169 -0.946 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.152 0.139 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.706 -0.797 6.593 1.00 0.00 H new ATOM 449 N VAL A 31 -8.909 0.468 3.887 1.00 0.00 N ATOM 450 CA VAL A 31 -8.287 1.390 2.962 1.00 0.00 C ATOM 451 C VAL A 31 -9.295 2.458 2.528 1.00 0.00 C ATOM 452 O VAL A 31 -10.423 2.146 2.154 1.00 0.00 O ATOM 453 CB VAL A 31 -7.702 0.566 1.804 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.491 1.403 0.548 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.369 -0.064 2.230 1.00 0.00 C ATOM 0 H VAL A 31 -9.205 -0.413 3.467 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.467 1.942 3.422 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.426 -0.213 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.076 0.776 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.446 1.815 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.800 2.217 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.961 -0.646 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.665 0.723 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.533 -0.717 3.088 1.00 0.00 H new ATOM 465 N GLN A 32 -8.868 3.722 2.585 1.00 0.00 N ATOM 466 CA GLN A 32 -9.620 4.890 2.147 1.00 0.00 C ATOM 467 C GLN A 32 -9.174 5.304 0.743 1.00 0.00 C ATOM 468 O GLN A 32 -10.018 5.559 -0.117 1.00 0.00 O ATOM 469 CB GLN A 32 -9.467 6.028 3.163 1.00 0.00 C ATOM 470 CG GLN A 32 -10.728 6.253 4.004 1.00 0.00 C ATOM 471 CD GLN A 32 -11.868 6.897 3.211 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.713 7.275 2.051 1.00 0.00 O ATOM 473 NE2 GLN A 32 -13.035 7.032 3.832 1.00 0.00 N ATOM 0 H GLN A 32 -7.949 3.965 2.954 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.680 4.644 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.630 5.806 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.220 6.949 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.066 5.297 4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.482 6.887 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.141 6.711 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.825 7.456 3.346 1.00 0.00 H new ATOM 482 N ARG A 33 -7.858 5.390 0.494 1.00 0.00 N ATOM 483 CA ARG A 33 -7.337 5.722 -0.828 1.00 0.00 C ATOM 484 C ARG A 33 -5.959 5.088 -1.027 1.00 0.00 C ATOM 485 O ARG A 33 -5.328 4.650 -0.061 1.00 0.00 O ATOM 486 CB ARG A 33 -7.251 7.254 -1.000 1.00 0.00 C ATOM 487 CG ARG A 33 -7.747 7.728 -2.375 1.00 0.00 C ATOM 488 CD ARG A 33 -9.265 7.946 -2.376 1.00 0.00 C ATOM 489 NE ARG A 33 -9.637 9.093 -1.527 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.837 9.314 -0.964 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.805 8.397 -1.050 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.061 10.469 -0.324 1.00 0.00 N ATOM 0 H ARG A 33 -7.138 5.232 1.199 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.017 5.325 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.841 7.736 -0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.218 7.573 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.244 8.657 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.483 6.991 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.610 8.117 -3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.765 7.046 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.911 9.788 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.636 7.522 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.713 8.572 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.324 11.172 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.969 10.646 0.106 1.00 0.00 H new ATOM 506 N ILE A 34 -5.490 5.094 -2.278 1.00 0.00 N ATOM 507 CA ILE A 34 -4.183 4.608 -2.681 1.00 0.00 C ATOM 508 C ILE A 34 -3.696 5.403 -3.897 1.00 0.00 C ATOM 509 O ILE A 34 -4.516 5.811 -4.719 1.00 0.00 O ATOM 510 CB ILE A 34 -4.244 3.090 -2.933 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.833 2.573 -3.256 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.250 2.714 -4.035 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.659 1.087 -2.943 1.00 0.00 C ATOM 0 H ILE A 34 -6.037 5.452 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.454 4.763 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.606 2.608 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.621 2.744 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.102 3.147 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.253 1.633 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.247 3.046 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.964 3.197 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.643 0.779 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.841 0.915 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.369 0.506 -3.532 1.00 0.00 H new ATOM 525 N LYS A 35 -2.387 5.664 -3.965 1.00 0.00 N ATOM 526 CA LYS A 35 -1.644 6.162 -5.116 1.00 0.00 C ATOM 527 C LYS A 35 -0.435 5.233 -5.268 1.00 0.00 C ATOM 528 O LYS A 35 0.331 5.123 -4.313 1.00 0.00 O ATOM 529 CB LYS A 35 -1.096 7.573 -4.831 1.00 0.00 C ATOM 530 CG LYS A 35 -2.059 8.749 -5.022 1.00 0.00 C ATOM 531 CD LYS A 35 -3.142 8.852 -3.942 1.00 0.00 C ATOM 532 CE LYS A 35 -3.638 10.304 -3.868 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.878 10.432 -3.080 1.00 0.00 N ATOM 0 H LYS A 35 -1.780 5.521 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.284 6.194 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.736 7.594 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.231 7.736 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.486 9.676 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.540 8.657 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.970 8.183 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.742 8.541 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.862 10.928 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.811 10.678 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.174 11.429 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.627 9.858 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.708 10.100 -2.109 1.00 0.00 H new ATOM 547 N VAL A 36 -0.231 4.577 -6.410 1.00 0.00 N ATOM 548 CA VAL A 36 0.935 3.726 -6.656 1.00 0.00 C ATOM 549 C VAL A 36 1.745 4.294 -7.820 1.00 0.00 C ATOM 550 O VAL A 36 1.380 4.113 -8.982 1.00 0.00 O ATOM 551 CB VAL A 36 0.486 2.274 -6.897 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.646 1.360 -7.319 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.129 1.688 -5.617 1.00 0.00 C ATOM 0 H VAL A 36 -0.876 4.621 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 36 1.585 3.715 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.245 2.311 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.273 0.348 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.085 1.733 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.405 1.350 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.442 0.660 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.612 1.704 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.993 2.284 -5.323 1.00 0.00 H new ATOM 563 N SER A 37 2.869 4.956 -7.526 1.00 0.00 N ATOM 564 CA SER A 37 3.773 5.443 -8.524 1.00 0.00 C ATOM 565 C SER A 37 4.735 4.319 -8.908 1.00 0.00 C ATOM 566 O SER A 37 5.746 4.094 -8.235 1.00 0.00 O ATOM 567 CB SER A 37 4.499 6.646 -7.934 1.00 0.00 C ATOM 568 OG SER A 37 3.680 7.798 -8.000 1.00 0.00 O ATOM 0 H SER A 37 3.163 5.161 -6.571 1.00 0.00 H new ATOM 0 HA SER A 37 3.256 5.755 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.769 6.443 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.428 6.821 -8.477 1.00 0.00 H new ATOM 0 HG SER A 37 4.159 8.562 -7.616 1.00 0.00 H new ATOM 574 N LEU A 38 4.445 3.657 -10.033 1.00 0.00 N ATOM 575 CA LEU A 38 5.463 2.907 -10.760 1.00 0.00 C ATOM 576 C LEU A 38 6.663 3.815 -11.065 1.00 0.00 C ATOM 577 O LEU A 38 6.615 5.022 -10.820 1.00 0.00 O ATOM 578 CB LEU A 38 4.886 2.296 -12.052 1.00 0.00 C ATOM 579 CG LEU A 38 4.525 0.803 -11.945 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.103 0.312 -13.328 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.711 -0.054 -11.488 1.00 0.00 C ATOM 0 H LEU A 38 3.517 3.628 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 38 5.801 2.082 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.993 2.853 -12.336 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.611 2.425 -12.856 1.00 0.00 H new ATOM 0 HG LEU A 38 3.728 0.706 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.843 -0.745 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.239 0.882 -13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.926 0.448 -14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.404 -1.098 -11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.528 0.044 -12.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.046 0.282 -10.507 1.00 0.00 H new ATOM 593 N ASP A 39 7.752 3.208 -11.548 1.00 0.00 N ATOM 594 CA ASP A 39 9.079 3.777 -11.757 1.00 0.00 C ATOM 595 C ASP A 39 9.728 4.107 -10.428 1.00 0.00 C ATOM 596 O ASP A 39 10.789 3.581 -10.104 1.00 0.00 O ATOM 597 CB ASP A 39 9.070 5.025 -12.635 1.00 0.00 C ATOM 598 CG ASP A 39 8.822 4.722 -14.109 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.136 3.712 -14.389 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.332 5.510 -14.932 1.00 0.00 O ATOM 0 H ASP A 39 7.721 2.227 -11.824 1.00 0.00 H new ATOM 0 HA ASP A 39 9.654 3.015 -12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.300 5.708 -12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.025 5.540 -12.533 1.00 0.00 H new ATOM 605 N ASN A 40 9.089 4.994 -9.664 1.00 0.00 N ATOM 606 CA ASN A 40 9.623 5.458 -8.401 1.00 0.00 C ATOM 607 C ASN A 40 9.723 4.300 -7.400 1.00 0.00 C ATOM 608 O ASN A 40 10.500 4.358 -6.448 1.00 0.00 O ATOM 609 CB ASN A 40 8.765 6.597 -7.833 1.00 0.00 C ATOM 610 CG ASN A 40 9.522 7.557 -6.909 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.353 8.767 -7.016 1.00 0.00 O ATOM 612 ND2 ASN A 40 10.349 7.067 -5.991 1.00 0.00 N ATOM 0 H ASN A 40 8.189 5.405 -9.911 1.00 0.00 H new ATOM 0 HA ASN A 40 10.627 5.846 -8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.343 7.166 -8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.928 6.166 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.850 7.699 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.482 6.059 -5.911 1.00 0.00 H new ATOM 619 N GLN A 41 8.894 3.269 -7.596 1.00 0.00 N ATOM 620 CA GLN A 41 8.753 2.091 -6.739 1.00 0.00 C ATOM 621 C GLN A 41 8.199 2.466 -5.380 1.00 0.00 C ATOM 622 O GLN A 41 8.406 1.755 -4.401 1.00 0.00 O ATOM 623 CB GLN A 41 10.070 1.337 -6.564 1.00 0.00 C ATOM 624 CG GLN A 41 10.750 1.241 -7.916 1.00 0.00 C ATOM 625 CD GLN A 41 11.883 0.225 -7.930 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.323 -0.255 -6.886 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.374 -0.113 -9.118 1.00 0.00 N ATOM 0 H GLN A 41 8.270 3.234 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 41 8.050 1.428 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.712 1.856 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.886 0.341 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.013 0.968 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.141 2.220 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.988 0.302 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.136 -0.788 -9.182 1.00 0.00 H new ATOM 636 N GLU A 42 7.512 3.598 -5.340 1.00 0.00 N ATOM 637 CA GLU A 42 6.931 4.149 -4.127 1.00 0.00 C ATOM 638 C GLU A 42 5.416 4.265 -4.288 1.00 0.00 C ATOM 639 O GLU A 42 4.927 4.702 -5.329 1.00 0.00 O ATOM 640 CB GLU A 42 7.622 5.473 -3.748 1.00 0.00 C ATOM 641 CG GLU A 42 7.692 5.572 -2.216 1.00 0.00 C ATOM 642 CD GLU A 42 8.406 6.810 -1.693 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.159 7.913 -2.226 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.104 6.670 -0.662 1.00 0.00 O ATOM 0 H GLU A 42 7.340 4.170 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 42 7.104 3.476 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.624 5.512 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.068 6.318 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.678 5.558 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.198 4.687 -1.831 1.00 0.00 H new ATOM 651 N ALA A 43 4.666 3.854 -3.263 1.00 0.00 N ATOM 652 CA ALA A 43 3.216 3.982 -3.243 1.00 0.00 C ATOM 653 C ALA A 43 2.798 4.580 -1.906 1.00 0.00 C ATOM 654 O ALA A 43 3.510 4.433 -0.914 1.00 0.00 O ATOM 655 CB ALA A 43 2.565 2.626 -3.508 1.00 0.00 C ATOM 0 H ALA A 43 5.053 3.423 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 43 2.877 4.650 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.480 2.733 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.878 2.257 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.872 1.918 -2.738 1.00 0.00 H new ATOM 661 N THR A 44 1.662 5.271 -1.888 1.00 0.00 N ATOM 662 CA THR A 44 1.144 6.028 -0.774 1.00 0.00 C ATOM 663 C THR A 44 -0.296 5.582 -0.582 1.00 0.00 C ATOM 664 O THR A 44 -1.091 5.681 -1.515 1.00 0.00 O ATOM 665 CB THR A 44 1.272 7.523 -1.093 1.00 0.00 C ATOM 666 OG1 THR A 44 2.615 7.910 -0.887 1.00 0.00 O ATOM 667 CG2 THR A 44 0.376 8.385 -0.206 1.00 0.00 C ATOM 0 H THR A 44 1.050 5.314 -2.702 1.00 0.00 H new ATOM 0 HA THR A 44 1.692 5.858 0.153 1.00 0.00 H new ATOM 0 HB THR A 44 0.962 7.674 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.715 8.864 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.503 9.435 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.665 8.097 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.650 8.239 0.839 1.00 0.00 H new ATOM 675 N ILE A 45 -0.620 5.057 0.601 1.00 0.00 N ATOM 676 CA ILE A 45 -1.928 4.502 0.914 1.00 0.00 C ATOM 677 C ILE A 45 -2.465 5.234 2.134 1.00 0.00 C ATOM 678 O ILE A 45 -1.670 5.742 2.921 1.00 0.00 O ATOM 679 CB ILE A 45 -1.832 2.987 1.172 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.821 2.330 0.225 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.201 2.319 0.999 1.00 0.00 C ATOM 682 CD1 ILE A 45 0.533 2.180 0.913 1.00 0.00 C ATOM 0 H ILE A 45 0.036 5.007 1.380 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.607 4.637 0.072 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.494 2.850 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.188 1.352 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.713 2.933 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.110 1.249 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.909 2.752 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.559 2.481 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.240 1.712 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.905 3.163 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.423 1.558 1.801 1.00 0.00 H new ATOM 694 N VAL A 46 -3.789 5.291 2.298 1.00 0.00 N ATOM 695 CA VAL A 46 -4.412 5.890 3.465 1.00 0.00 C ATOM 696 C VAL A 46 -5.379 4.880 4.083 1.00 0.00 C ATOM 697 O VAL A 46 -6.278 4.399 3.394 1.00 0.00 O ATOM 698 CB VAL A 46 -4.957 7.286 3.152 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.137 7.231 2.223 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.319 8.067 4.417 1.00 0.00 C ATOM 0 H VAL A 46 -4.454 4.920 1.620 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.685 6.100 4.250 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.149 7.818 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.493 8.242 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.840 6.762 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.935 6.648 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.701 9.050 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.083 7.524 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.432 8.184 5.039 1.00 0.00 H new ATOM 710 N TYR A 47 -5.137 4.490 5.338 1.00 0.00 N ATOM 711 CA TYR A 47 -5.913 3.485 6.065 1.00 0.00 C ATOM 712 C TYR A 47 -5.719 3.692 7.570 1.00 0.00 C ATOM 713 O TYR A 47 -5.002 4.608 7.964 1.00 0.00 O ATOM 714 CB TYR A 47 -5.521 2.064 5.621 1.00 0.00 C ATOM 715 CG TYR A 47 -4.129 1.602 6.001 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.837 1.267 7.335 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.166 1.352 5.006 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.544 0.889 7.700 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.956 0.727 5.354 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.626 0.541 6.704 1.00 0.00 C ATOM 721 OH TYR A 47 -0.438 -0.005 7.067 1.00 0.00 O ATOM 0 H TYR A 47 -4.373 4.877 5.891 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.972 3.602 5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.241 1.363 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.617 2.006 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.617 1.302 8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.355 1.638 3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.255 0.865 8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.281 0.390 4.582 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.397 -0.934 6.759 1.00 0.00 H new ATOM 731 N GLN A 48 -6.342 2.868 8.422 1.00 0.00 N ATOM 732 CA GLN A 48 -6.098 2.859 9.859 1.00 0.00 C ATOM 733 C GLN A 48 -5.893 1.461 10.461 1.00 0.00 C ATOM 734 O GLN A 48 -6.544 0.512 10.019 1.00 0.00 O ATOM 735 CB GLN A 48 -7.238 3.585 10.560 1.00 0.00 C ATOM 736 CG GLN A 48 -8.559 3.450 9.807 1.00 0.00 C ATOM 737 CD GLN A 48 -9.747 4.006 10.586 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.670 4.207 11.792 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.845 4.297 9.897 1.00 0.00 N ATOM 0 H GLN A 48 -7.037 2.183 8.123 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.152 3.375 10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.354 3.187 11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.986 4.641 10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.482 3.970 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.738 2.398 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.880 4.118 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.653 4.699 10.372 1.00 0.00 H new ATOM 748 N PRO A 49 -5.030 1.342 11.494 1.00 0.00 N ATOM 749 CA PRO A 49 -4.812 0.115 12.247 1.00 0.00 C ATOM 750 C PRO A 49 -6.053 -0.215 13.080 1.00 0.00 C ATOM 751 O PRO A 49 -6.077 -0.020 14.294 1.00 0.00 O ATOM 752 CB PRO A 49 -3.586 0.378 13.130 1.00 0.00 C ATOM 753 CG PRO A 49 -3.644 1.885 13.369 1.00 0.00 C ATOM 754 CD PRO A 49 -4.209 2.414 12.052 1.00 0.00 C ATOM 0 HA PRO A 49 -4.639 -0.744 11.599 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.636 -0.180 14.065 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.661 0.085 12.633 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.285 2.136 14.214 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.658 2.299 13.582 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.804 3.312 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.406 2.685 11.366 1.00 0.00 H new ATOM 762 N HIS A 50 -7.094 -0.704 12.412 1.00 0.00 N ATOM 763 CA HIS A 50 -8.306 -1.222 13.027 1.00 0.00 C ATOM 764 C HIS A 50 -8.817 -2.369 12.166 1.00 0.00 C ATOM 765 O HIS A 50 -8.922 -3.500 12.629 1.00 0.00 O ATOM 766 CB HIS A 50 -9.361 -0.111 13.171 1.00 0.00 C ATOM 767 CG HIS A 50 -9.503 0.402 14.581 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.475 0.744 15.429 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.672 0.496 15.290 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.018 1.050 16.619 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.354 0.913 16.585 1.00 0.00 N ATOM 0 H HIS A 50 -7.115 -0.751 11.393 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.095 -1.587 14.032 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.096 0.719 12.516 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.325 -0.490 12.831 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.482 0.762 15.197 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.663 0.285 14.915 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.456 1.364 17.486 1.00 0.00 H new ATOM 779 N LEU A 51 -9.125 -2.073 10.901 1.00 0.00 N ATOM 780 CA LEU A 51 -9.615 -3.078 9.979 1.00 0.00 C ATOM 781 C LEU A 51 -8.451 -3.900 9.414 1.00 0.00 C ATOM 782 O LEU A 51 -8.659 -5.052 9.043 1.00 0.00 O ATOM 783 CB LEU A 51 -10.436 -2.422 8.864 1.00 0.00 C ATOM 784 CG LEU A 51 -11.741 -1.752 9.336 1.00 0.00 C ATOM 785 CD1 LEU A 51 -11.557 -0.290 9.768 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.774 -1.781 8.205 1.00 0.00 C ATOM 0 H LEU A 51 -9.040 -1.139 10.499 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.271 -3.762 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.818 -1.674 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.681 -3.178 8.118 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.074 -2.319 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.516 0.118 10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.848 -0.241 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.177 0.292 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.696 -1.307 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.383 -1.243 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.979 -2.815 7.926 1.00 0.00 H new ATOM 798 N ILE A 52 -7.241 -3.324 9.334 1.00 0.00 N ATOM 799 CA ILE A 52 -6.087 -3.957 8.729 1.00 0.00 C ATOM 800 C ILE A 52 -4.951 -4.047 9.742 1.00 0.00 C ATOM 801 O ILE A 52 -4.751 -3.111 10.514 1.00 0.00 O ATOM 802 CB ILE A 52 -5.736 -3.182 7.458 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.794 -3.961 6.545 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.120 -1.829 7.774 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.494 -5.176 5.952 1.00 0.00 C ATOM 0 H ILE A 52 -7.047 -2.391 9.697 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.294 -4.987 8.437 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.680 -3.031 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.440 -3.313 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.917 -4.280 7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.885 -1.310 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.826 -1.234 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.206 -1.971 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.802 -5.715 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.826 -5.833 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.356 -4.851 5.370 1.00 0.00 H new ATOM 817 N SER A 53 -4.158 -5.124 9.714 1.00 0.00 N ATOM 818 CA SER A 53 -3.080 -5.340 10.680 1.00 0.00 C ATOM 819 C SER A 53 -1.823 -4.507 10.411 1.00 0.00 C ATOM 820 O SER A 53 -0.729 -4.880 10.830 1.00 0.00 O ATOM 821 CB SER A 53 -2.731 -6.820 10.776 1.00 0.00 C ATOM 822 OG SER A 53 -3.829 -7.598 11.203 1.00 0.00 O ATOM 0 H SER A 53 -4.247 -5.868 9.022 1.00 0.00 H new ATOM 0 HA SER A 53 -3.468 -4.993 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.392 -7.176 9.803 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.902 -6.952 11.471 1.00 0.00 H new ATOM 0 HG SER A 53 -4.276 -7.988 10.423 1.00 0.00 H new ATOM 828 N VAL A 54 -1.973 -3.394 9.696 1.00 0.00 N ATOM 829 CA VAL A 54 -0.964 -2.420 9.311 1.00 0.00 C ATOM 830 C VAL A 54 -0.066 -3.029 8.239 1.00 0.00 C ATOM 831 O VAL A 54 -0.054 -2.599 7.085 1.00 0.00 O ATOM 832 CB VAL A 54 -0.262 -1.811 10.552 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.263 -1.948 10.577 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.594 -0.318 10.644 1.00 0.00 C ATOM 0 H VAL A 54 -2.892 -3.130 9.340 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.414 -1.545 8.842 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.643 -2.385 11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.655 -1.490 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.534 -3.004 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.688 -1.448 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.101 0.111 11.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.245 0.188 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.672 -0.190 10.737 1.00 0.00 H new ATOM 844 N GLU A 55 0.633 -4.088 8.615 1.00 0.00 N ATOM 845 CA GLU A 55 1.556 -4.786 7.763 1.00 0.00 C ATOM 846 C GLU A 55 0.769 -5.517 6.679 1.00 0.00 C ATOM 847 O GLU A 55 1.175 -5.489 5.517 1.00 0.00 O ATOM 848 CB GLU A 55 2.392 -5.724 8.620 1.00 0.00 C ATOM 849 CG GLU A 55 3.595 -6.254 7.825 1.00 0.00 C ATOM 850 CD GLU A 55 4.967 -5.771 8.282 1.00 0.00 C ATOM 851 OE1 GLU A 55 5.028 -4.710 8.936 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.936 -6.459 7.894 1.00 0.00 O ATOM 0 H GLU A 55 0.565 -4.490 9.550 1.00 0.00 H new ATOM 0 HA GLU A 55 2.240 -4.101 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.740 -5.199 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.778 -6.558 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.582 -7.343 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.464 -5.976 6.779 1.00 0.00 H new ATOM 859 N GLU A 56 -0.359 -6.145 7.064 1.00 0.00 N ATOM 860 CA GLU A 56 -1.207 -6.930 6.167 1.00 0.00 C ATOM 861 C GLU A 56 -1.311 -6.269 4.800 1.00 0.00 C ATOM 862 O GLU A 56 -0.929 -6.854 3.793 1.00 0.00 O ATOM 863 CB GLU A 56 -2.620 -7.047 6.744 1.00 0.00 C ATOM 864 CG GLU A 56 -2.962 -8.420 7.311 1.00 0.00 C ATOM 865 CD GLU A 56 -4.416 -8.389 7.756 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.681 -7.632 8.719 1.00 0.00 O ATOM 867 OE2 GLU A 56 -5.234 -9.037 7.071 1.00 0.00 O ATOM 0 H GLU A 56 -0.706 -6.116 8.023 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.753 -7.916 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.739 -6.303 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.339 -6.802 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.809 -9.193 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.310 -8.660 8.151 1.00 0.00 H new ATOM 874 N MET A 57 -1.831 -5.040 4.793 1.00 0.00 N ATOM 875 CA MET A 57 -2.007 -4.206 3.632 1.00 0.00 C ATOM 876 C MET A 57 -0.853 -4.372 2.637 1.00 0.00 C ATOM 877 O MET A 57 -1.058 -4.742 1.486 1.00 0.00 O ATOM 878 CB MET A 57 -2.153 -2.769 4.146 1.00 0.00 C ATOM 879 CG MET A 57 -3.282 -2.073 3.406 1.00 0.00 C ATOM 880 SD MET A 57 -3.003 -1.777 1.644 1.00 0.00 S ATOM 881 CE MET A 57 -1.384 -0.977 1.636 1.00 0.00 C ATOM 0 H MET A 57 -2.153 -4.588 5.649 1.00 0.00 H new ATOM 0 HA MET A 57 -2.897 -4.491 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.356 -2.774 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.220 -2.224 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.186 -2.671 3.516 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.473 -1.115 3.890 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.106 -0.728 0.612 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.425 -0.066 2.233 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.642 -1.654 2.059 1.00 0.00 H new ATOM 891 N LYS A 58 0.372 -4.130 3.100 1.00 0.00 N ATOM 892 CA LYS A 58 1.571 -4.260 2.293 1.00 0.00 C ATOM 893 C LYS A 58 1.901 -5.727 2.001 1.00 0.00 C ATOM 894 O LYS A 58 2.309 -6.069 0.893 1.00 0.00 O ATOM 895 CB LYS A 58 2.703 -3.497 2.992 1.00 0.00 C ATOM 896 CG LYS A 58 4.064 -3.742 2.332 1.00 0.00 C ATOM 897 CD LYS A 58 4.908 -4.746 3.135 1.00 0.00 C ATOM 898 CE LYS A 58 5.542 -5.777 2.201 1.00 0.00 C ATOM 899 NZ LYS A 58 6.835 -6.283 2.705 1.00 0.00 N ATOM 0 H LYS A 58 0.556 -3.835 4.059 1.00 0.00 H new ATOM 0 HA LYS A 58 1.419 -3.816 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.482 -2.430 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.750 -3.799 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.916 -4.117 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.603 -2.798 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.686 -4.218 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.282 -5.250 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.855 -6.613 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.690 -5.329 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.587 -6.053 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.049 -5.838 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.781 -7.315 2.825 1.00 0.00 H new ATOM 913 N LYS A 59 1.751 -6.613 2.977 1.00 0.00 N ATOM 914 CA LYS A 59 2.006 -8.030 2.764 1.00 0.00 C ATOM 915 C LYS A 59 1.104 -8.640 1.685 1.00 0.00 C ATOM 916 O LYS A 59 1.501 -9.593 1.016 1.00 0.00 O ATOM 917 CB LYS A 59 1.909 -8.791 4.090 1.00 0.00 C ATOM 918 CG LYS A 59 2.993 -8.363 5.088 1.00 0.00 C ATOM 919 CD LYS A 59 4.405 -8.553 4.512 1.00 0.00 C ATOM 920 CE LYS A 59 5.405 -9.107 5.540 1.00 0.00 C ATOM 921 NZ LYS A 59 6.506 -9.838 4.872 1.00 0.00 N ATOM 0 H LYS A 59 1.454 -6.375 3.923 1.00 0.00 H new ATOM 0 HA LYS A 59 3.023 -8.127 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.926 -8.624 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.996 -9.861 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.848 -7.317 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.893 -8.944 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.355 -9.231 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.770 -7.597 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.814 -8.288 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.889 -9.773 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.100 -10.301 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.109 -10.557 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.083 -9.170 4.323 1.00 0.00 H new ATOM 935 N GLN A 60 -0.081 -8.075 1.450 1.00 0.00 N ATOM 936 CA GLN A 60 -0.951 -8.535 0.385 1.00 0.00 C ATOM 937 C GLN A 60 -0.241 -8.320 -0.943 1.00 0.00 C ATOM 938 O GLN A 60 -0.309 -9.147 -1.844 1.00 0.00 O ATOM 939 CB GLN A 60 -2.273 -7.774 0.429 1.00 0.00 C ATOM 940 CG GLN A 60 -2.916 -7.861 1.822 1.00 0.00 C ATOM 941 CD GLN A 60 -4.290 -8.529 1.881 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.885 -8.874 0.865 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.814 -8.721 3.089 1.00 0.00 N ATOM 0 H GLN A 60 -0.455 -7.295 1.990 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.173 -9.595 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.104 -6.729 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.956 -8.182 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.239 -8.406 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.006 -6.852 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.301 -8.426 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.728 -9.163 3.184 1.00 0.00 H new ATOM 952 N ILE A 61 0.481 -7.206 -1.038 1.00 0.00 N ATOM 953 CA ILE A 61 1.329 -6.938 -2.189 1.00 0.00 C ATOM 954 C ILE A 61 2.465 -7.968 -2.305 1.00 0.00 C ATOM 955 O ILE A 61 2.656 -8.483 -3.406 1.00 0.00 O ATOM 956 CB ILE A 61 1.770 -5.468 -2.264 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.595 -4.541 -2.636 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.803 -5.264 -3.376 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.139 -4.027 -1.409 1.00 0.00 C ATOM 0 H ILE A 61 0.493 -6.474 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 61 0.731 -7.077 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 61 2.171 -5.230 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.969 -3.696 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.103 -5.081 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.100 -4.216 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.678 -5.883 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.367 -5.548 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.958 -3.379 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.538 -4.870 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.552 -3.464 -0.781 1.00 0.00 H new ATOM 971 N GLU A 62 3.175 -8.327 -1.217 1.00 0.00 N ATOM 972 CA GLU A 62 4.162 -9.416 -1.277 1.00 0.00 C ATOM 973 C GLU A 62 3.497 -10.633 -1.930 1.00 0.00 C ATOM 974 O GLU A 62 4.017 -11.229 -2.871 1.00 0.00 O ATOM 975 CB GLU A 62 4.665 -9.846 0.116 1.00 0.00 C ATOM 976 CG GLU A 62 5.914 -9.096 0.582 1.00 0.00 C ATOM 977 CD GLU A 62 6.394 -9.583 1.947 1.00 0.00 C ATOM 978 OE1 GLU A 62 5.915 -10.617 2.458 1.00 0.00 O ATOM 979 OE2 GLU A 62 7.172 -8.843 2.587 1.00 0.00 O ATOM 0 H GLU A 62 3.084 -7.886 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 62 5.017 -9.051 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.868 -9.691 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.879 -10.915 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.710 -9.227 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.699 -8.029 0.632 1.00 0.00 H new ATOM 986 N ALA A 63 2.315 -10.971 -1.410 1.00 0.00 N ATOM 987 CA ALA A 63 1.533 -12.125 -1.817 1.00 0.00 C ATOM 988 C ALA A 63 1.150 -12.122 -3.302 1.00 0.00 C ATOM 989 O ALA A 63 0.852 -13.184 -3.843 1.00 0.00 O ATOM 990 CB ALA A 63 0.298 -12.222 -0.919 1.00 0.00 C ATOM 0 H ALA A 63 1.868 -10.428 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 63 2.158 -13.009 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.299 -13.085 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.611 -12.334 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.299 -11.316 -1.022 1.00 0.00 H new ATOM 996 N MET A 64 1.169 -10.969 -3.986 1.00 0.00 N ATOM 997 CA MET A 64 0.957 -10.929 -5.430 1.00 0.00 C ATOM 998 C MET A 64 2.096 -11.648 -6.162 1.00 0.00 C ATOM 999 O MET A 64 1.904 -12.116 -7.281 1.00 0.00 O ATOM 1000 CB MET A 64 0.835 -9.482 -5.932 1.00 0.00 C ATOM 1001 CG MET A 64 -0.313 -8.723 -5.259 1.00 0.00 C ATOM 1002 SD MET A 64 -1.993 -9.290 -5.628 1.00 0.00 S ATOM 1003 CE MET A 64 -2.853 -8.584 -4.204 1.00 0.00 C ATOM 0 H MET A 64 1.329 -10.057 -3.559 1.00 0.00 H new ATOM 0 HA MET A 64 0.021 -11.445 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.772 -8.956 -5.747 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.680 -9.487 -7.011 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.167 -8.773 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.239 -7.673 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.913 -8.832 -4.259 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.432 -8.993 -3.285 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.733 -7.501 -4.207 1.00 0.00 H new ATOM 1013 N GLY A 65 3.282 -11.709 -5.544 1.00 0.00 N ATOM 1014 CA GLY A 65 4.457 -12.384 -6.080 1.00 0.00 C ATOM 1015 C GLY A 65 5.676 -11.466 -6.064 1.00 0.00 C ATOM 1016 O GLY A 65 6.810 -11.933 -5.988 1.00 0.00 O ATOM 0 H GLY A 65 3.449 -11.278 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.665 -13.279 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.258 -12.711 -7.101 1.00 0.00 H new ATOM 1020 N PHE A 66 5.447 -10.155 -6.145 1.00 0.00 N ATOM 1021 CA PHE A 66 6.508 -9.163 -6.166 1.00 0.00 C ATOM 1022 C PHE A 66 6.870 -8.825 -4.722 1.00 0.00 C ATOM 1023 O PHE A 66 5.982 -8.397 -3.988 1.00 0.00 O ATOM 1024 CB PHE A 66 6.009 -7.902 -6.862 1.00 0.00 C ATOM 1025 CG PHE A 66 5.756 -8.113 -8.336 1.00 0.00 C ATOM 1026 CD1 PHE A 66 4.499 -8.544 -8.789 1.00 0.00 C ATOM 1027 CD2 PHE A 66 6.826 -7.996 -9.238 1.00 0.00 C ATOM 1028 CE1 PHE A 66 4.294 -8.796 -10.154 1.00 0.00 C ATOM 1029 CE2 PHE A 66 6.637 -8.307 -10.591 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.365 -8.685 -11.059 1.00 0.00 C ATOM 0 H PHE A 66 4.510 -9.754 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 66 7.376 -9.550 -6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.089 -7.568 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.743 -7.106 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.690 -8.682 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.794 -7.667 -8.889 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.313 -9.075 -10.510 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.470 -8.256 -11.277 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.212 -8.889 -12.108 1.00 0.00 H new ATOM 1040 N PRO A 67 8.129 -8.978 -4.290 1.00 0.00 N ATOM 1041 CA PRO A 67 8.517 -8.587 -2.947 1.00 0.00 C ATOM 1042 C PRO A 67 8.310 -7.077 -2.798 1.00 0.00 C ATOM 1043 O PRO A 67 8.727 -6.318 -3.670 1.00 0.00 O ATOM 1044 CB PRO A 67 9.987 -8.995 -2.813 1.00 0.00 C ATOM 1045 CG PRO A 67 10.503 -8.946 -4.252 1.00 0.00 C ATOM 1046 CD PRO A 67 9.286 -9.368 -5.079 1.00 0.00 C ATOM 0 HA PRO A 67 7.927 -9.063 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.536 -8.311 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.090 -9.992 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.846 -7.947 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.344 -9.623 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.282 -8.876 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.291 -10.442 -5.265 1.00 0.00 H new ATOM 1054 N ALA A 68 7.641 -6.642 -1.726 1.00 0.00 N ATOM 1055 CA ALA A 68 7.408 -5.232 -1.445 1.00 0.00 C ATOM 1056 C ALA A 68 7.919 -4.906 -0.042 1.00 0.00 C ATOM 1057 O ALA A 68 8.415 -5.783 0.666 1.00 0.00 O ATOM 1058 CB ALA A 68 5.913 -4.953 -1.621 1.00 0.00 C ATOM 0 H ALA A 68 7.244 -7.269 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 68 7.952 -4.586 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.712 -3.901 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.617 -5.186 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.343 -5.573 -0.929 1.00 0.00 H new ATOM 1064 N PHE A 69 7.728 -3.671 0.423 1.00 0.00 N ATOM 1065 CA PHE A 69 8.239 -3.207 1.706 1.00 0.00 C ATOM 1066 C PHE A 69 7.360 -2.107 2.272 1.00 0.00 C ATOM 1067 O PHE A 69 6.720 -1.384 1.518 1.00 0.00 O ATOM 1068 CB PHE A 69 9.710 -2.773 1.603 1.00 0.00 C ATOM 1069 CG PHE A 69 10.626 -3.660 2.415 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.654 -3.535 3.818 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.311 -4.719 1.791 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.324 -4.493 4.596 1.00 0.00 C ATOM 1073 CE2 PHE A 69 12.022 -5.649 2.569 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.023 -5.541 3.971 1.00 0.00 C ATOM 0 H PHE A 69 7.207 -2.959 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 69 8.206 -4.044 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.020 -2.793 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.808 -1.743 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.160 -2.702 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.290 -4.817 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.302 -4.425 5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.568 -6.448 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.561 -6.263 4.568 1.00 0.00 H new ATOM 1084 N VAL A 70 7.317 -2.006 3.601 1.00 0.00 N ATOM 1085 CA VAL A 70 6.584 -0.986 4.325 1.00 0.00 C ATOM 1086 C VAL A 70 7.590 -0.187 5.150 1.00 0.00 C ATOM 1087 O VAL A 70 8.484 -0.772 5.758 1.00 0.00 O ATOM 1088 CB VAL A 70 5.421 -1.599 5.111 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.934 -2.390 6.294 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.417 -0.546 5.570 1.00 0.00 C ATOM 0 H VAL A 70 7.809 -2.655 4.215 1.00 0.00 H new ATOM 0 HA VAL A 70 6.093 -0.282 3.653 1.00 0.00 H new ATOM 0 HB VAL A 70 4.898 -2.274 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.092 -2.817 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.583 -3.192 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.498 -1.732 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.611 -1.028 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.917 0.177 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.005 -0.033 4.701 1.00 0.00 H new