USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 7 THR OG1 : rot 133:sc= 1.35 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.12) 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 -65:sc= 0.232 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 25 ASN : amide:sc= -3.82! C(o=-3.8!,f=-8.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.31 (180deg=0.899) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.466 K(o=0.47,f=-7.1!) USER MOD Single : A 41 GLN : amide:sc= 0.478 K(o=0.48,f=-0.091) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.134 -8.762 -2.169 1.00 0.00 N ATOM 19 CA GLN A 2 7.713 -8.482 -2.254 1.00 0.00 C ATOM 20 C GLN A 2 7.254 -7.854 -0.945 1.00 0.00 C ATOM 21 O GLN A 2 8.040 -7.727 -0.009 1.00 0.00 O ATOM 22 CB GLN A 2 6.960 -9.785 -2.521 1.00 0.00 C ATOM 23 CG GLN A 2 7.181 -10.234 -3.964 1.00 0.00 C ATOM 24 CD GLN A 2 6.565 -11.606 -4.206 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.835 -12.549 -3.466 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.744 -11.724 -5.251 1.00 0.00 N ATOM 0 HA GLN A 2 7.510 -7.788 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.303 -10.559 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.895 -9.643 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.741 -9.507 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.249 -10.267 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.548 -10.914 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.313 -12.624 -5.462 1.00 0.00 H new ATOM 35 N ILE A 3 5.979 -7.466 -0.877 1.00 0.00 N ATOM 36 CA ILE A 3 5.403 -6.911 0.335 1.00 0.00 C ATOM 37 C ILE A 3 3.985 -7.447 0.502 1.00 0.00 C ATOM 38 O ILE A 3 3.481 -8.150 -0.372 1.00 0.00 O ATOM 39 CB ILE A 3 5.423 -5.381 0.270 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.598 -4.905 -0.930 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.870 -4.899 0.149 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.498 -3.380 -0.964 1.00 0.00 C ATOM 0 H ILE A 3 5.326 -7.530 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 3 5.991 -7.211 1.203 1.00 0.00 H new ATOM 0 HB ILE A 3 4.986 -4.967 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.055 -5.263 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.598 -5.336 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.888 -3.810 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.439 -5.235 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.315 -5.308 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.907 -3.073 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.019 -3.026 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.497 -2.951 -1.038 1.00 0.00 H new ATOM 54 N PHE A 4 3.337 -7.112 1.621 1.00 0.00 N ATOM 55 CA PHE A 4 2.002 -7.603 1.908 1.00 0.00 C ATOM 56 C PHE A 4 1.113 -6.464 2.380 1.00 0.00 C ATOM 57 O PHE A 4 1.317 -5.918 3.463 1.00 0.00 O ATOM 58 CB PHE A 4 2.080 -8.704 2.963 1.00 0.00 C ATOM 59 CG PHE A 4 2.763 -9.958 2.472 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.999 -11.015 1.962 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.159 -10.064 2.524 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.629 -12.181 1.509 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.789 -11.228 2.066 1.00 0.00 C ATOM 64 CZ PHE A 4 4.024 -12.287 1.561 1.00 0.00 C ATOM 0 H PHE A 4 3.723 -6.500 2.340 1.00 0.00 H new ATOM 0 HA PHE A 4 1.565 -8.017 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.615 -8.325 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.071 -8.954 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.923 -10.931 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.749 -9.249 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.039 -12.998 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.865 -11.309 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.510 -13.186 1.212 1.00 0.00 H new ATOM 74 N VAL A 5 0.143 -6.084 1.547 1.00 0.00 N ATOM 75 CA VAL A 5 -0.814 -5.050 1.889 1.00 0.00 C ATOM 76 C VAL A 5 -2.088 -5.722 2.377 1.00 0.00 C ATOM 77 O VAL A 5 -2.721 -6.465 1.632 1.00 0.00 O ATOM 78 CB VAL A 5 -1.091 -4.184 0.659 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.071 -3.074 1.027 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.207 -3.553 0.160 1.00 0.00 C ATOM 0 H VAL A 5 0.005 -6.488 0.620 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.422 -4.406 2.676 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.515 -4.811 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.268 -2.457 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.004 -3.514 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.642 -2.456 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.000 -2.938 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.635 -2.931 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.914 -4.338 -0.107 1.00 0.00 H new ATOM 90 N LYS A 6 -2.434 -5.514 3.649 1.00 0.00 N ATOM 91 CA LYS A 6 -3.590 -6.163 4.235 1.00 0.00 C ATOM 92 C LYS A 6 -4.737 -5.168 4.328 1.00 0.00 C ATOM 93 O LYS A 6 -4.620 -4.141 4.994 1.00 0.00 O ATOM 94 CB LYS A 6 -3.213 -6.705 5.612 1.00 0.00 C ATOM 95 CG LYS A 6 -4.370 -7.516 6.191 1.00 0.00 C ATOM 96 CD LYS A 6 -3.936 -8.135 7.518 1.00 0.00 C ATOM 97 CE LYS A 6 -5.082 -8.960 8.093 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.690 -9.602 9.357 1.00 0.00 N ATOM 0 H LYS A 6 -1.926 -4.900 4.286 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.914 -6.996 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.323 -7.330 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.966 -5.881 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.239 -6.875 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.668 -8.297 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.059 -8.765 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.649 -7.352 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.948 -8.319 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.383 -9.721 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.488 -10.157 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.879 -10.231 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.426 -8.873 10.049 1.00 0.00 H new ATOM 112 N THR A 7 -5.824 -5.449 3.605 1.00 0.00 N ATOM 113 CA THR A 7 -6.983 -4.576 3.563 1.00 0.00 C ATOM 114 C THR A 7 -7.606 -4.476 4.950 1.00 0.00 C ATOM 115 O THR A 7 -7.267 -5.249 5.844 1.00 0.00 O ATOM 116 CB THR A 7 -8.003 -5.142 2.576 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.479 -6.372 3.069 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.364 -5.368 1.206 1.00 0.00 C ATOM 0 H THR A 7 -5.918 -6.290 3.035 1.00 0.00 H new ATOM 0 HA THR A 7 -6.678 -3.580 3.241 1.00 0.00 H new ATOM 0 HB THR A 7 -8.821 -4.430 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.457 -6.393 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.108 -5.771 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.989 -4.421 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.539 -6.073 1.301 1.00 0.00 H new ATOM 126 N ALA A 8 -8.574 -3.568 5.106 1.00 0.00 N ATOM 127 CA ALA A 8 -9.302 -3.426 6.353 1.00 0.00 C ATOM 128 C ALA A 8 -10.278 -4.587 6.512 1.00 0.00 C ATOM 129 O ALA A 8 -10.896 -4.738 7.564 1.00 0.00 O ATOM 130 CB ALA A 8 -10.055 -2.096 6.351 1.00 0.00 C ATOM 0 H ALA A 8 -8.867 -2.920 4.374 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.604 -3.438 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.603 -1.987 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.344 -1.276 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.755 -2.076 5.516 1.00 0.00 H new ATOM 136 N THR A 9 -10.424 -5.402 5.463 1.00 0.00 N ATOM 137 CA THR A 9 -11.308 -6.553 5.497 1.00 0.00 C ATOM 138 C THR A 9 -10.518 -7.820 5.813 1.00 0.00 C ATOM 139 O THR A 9 -11.106 -8.881 6.013 1.00 0.00 O ATOM 140 CB THR A 9 -12.041 -6.676 4.161 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.121 -6.805 3.100 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.908 -5.439 3.933 1.00 0.00 C ATOM 0 H THR A 9 -9.934 -5.278 4.577 1.00 0.00 H new ATOM 0 HA THR A 9 -12.048 -6.418 6.286 1.00 0.00 H new ATOM 0 HB THR A 9 -12.670 -7.566 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.607 -6.884 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.429 -5.530 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.637 -5.353 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.277 -4.550 3.918 1.00 0.00 H new ATOM 150 N GLY A 10 -9.189 -7.703 5.902 1.00 0.00 N ATOM 151 CA GLY A 10 -8.343 -8.816 6.292 1.00 0.00 C ATOM 152 C GLY A 10 -7.768 -9.540 5.080 1.00 0.00 C ATOM 153 O GLY A 10 -7.032 -10.512 5.240 1.00 0.00 O ATOM 0 H GLY A 10 -8.682 -6.840 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.529 -8.452 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.920 -9.517 6.895 1.00 0.00 H new ATOM 157 N LYS A 11 -8.126 -9.105 3.869 1.00 0.00 N ATOM 158 CA LYS A 11 -7.613 -9.732 2.664 1.00 0.00 C ATOM 159 C LYS A 11 -6.124 -9.443 2.526 1.00 0.00 C ATOM 160 O LYS A 11 -5.723 -8.287 2.416 1.00 0.00 O ATOM 161 CB LYS A 11 -8.361 -9.210 1.437 1.00 0.00 C ATOM 162 CG LYS A 11 -9.818 -9.667 1.461 1.00 0.00 C ATOM 163 CD LYS A 11 -10.485 -9.274 0.143 1.00 0.00 C ATOM 164 CE LYS A 11 -11.923 -9.786 0.110 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.569 -9.459 -1.172 1.00 0.00 N ATOM 0 H LYS A 11 -8.764 -8.327 3.705 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.764 -10.809 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.316 -8.121 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.877 -9.569 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.872 -10.746 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.342 -9.209 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.474 -8.190 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.924 -9.688 -0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.932 -10.865 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.489 -9.344 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.545 -9.817 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.579 -8.427 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.040 -9.901 -1.950 1.00 0.00 H new ATOM 179 N THR A 12 -5.306 -10.498 2.527 1.00 0.00 N ATOM 180 CA THR A 12 -3.880 -10.363 2.305 1.00 0.00 C ATOM 181 C THR A 12 -3.633 -10.143 0.817 1.00 0.00 C ATOM 182 O THR A 12 -4.253 -10.803 -0.015 1.00 0.00 O ATOM 183 CB THR A 12 -3.179 -11.637 2.777 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.630 -11.976 4.071 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.668 -11.426 2.803 1.00 0.00 C ATOM 0 H THR A 12 -5.617 -11.457 2.681 1.00 0.00 H new ATOM 0 HA THR A 12 -3.486 -9.514 2.863 1.00 0.00 H new ATOM 0 HB THR A 12 -3.414 -12.446 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.180 -12.794 4.370 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.179 -12.340 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.318 -11.176 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.426 -10.611 3.486 1.00 0.00 H new ATOM 193 N ILE A 13 -2.742 -9.208 0.479 1.00 0.00 N ATOM 194 CA ILE A 13 -2.415 -8.934 -0.909 1.00 0.00 C ATOM 195 C ILE A 13 -0.904 -8.916 -1.097 1.00 0.00 C ATOM 196 O ILE A 13 -0.238 -7.971 -0.680 1.00 0.00 O ATOM 197 CB ILE A 13 -3.036 -7.602 -1.342 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.529 -7.585 -1.004 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.835 -7.419 -2.847 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.145 -6.238 -1.380 1.00 0.00 C ATOM 0 H ILE A 13 -2.238 -8.632 1.153 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.828 -9.724 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.550 -6.784 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.038 -8.387 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.670 -7.772 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.275 -6.472 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.769 -7.416 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.317 -8.238 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.207 -6.242 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.647 -5.443 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.021 -6.067 -2.449 1.00 0.00 H new ATOM 212 N THR A 14 -0.366 -9.955 -1.739 1.00 0.00 N ATOM 213 CA THR A 14 1.043 -9.994 -2.080 1.00 0.00 C ATOM 214 C THR A 14 1.296 -8.974 -3.181 1.00 0.00 C ATOM 215 O THR A 14 0.718 -9.077 -4.262 1.00 0.00 O ATOM 216 CB THR A 14 1.419 -11.401 -2.542 1.00 0.00 C ATOM 217 OG1 THR A 14 1.028 -12.338 -1.562 1.00 0.00 O ATOM 218 CG2 THR A 14 2.927 -11.489 -2.760 1.00 0.00 C ATOM 0 H THR A 14 -0.893 -10.779 -2.030 1.00 0.00 H new ATOM 0 HA THR A 14 1.656 -9.749 -1.213 1.00 0.00 H new ATOM 0 HB THR A 14 0.908 -11.620 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.550 -12.194 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.189 -12.495 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.227 -10.768 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.443 -11.267 -1.826 1.00 0.00 H new ATOM 226 N LEU A 15 2.108 -7.956 -2.891 1.00 0.00 N ATOM 227 CA LEU A 15 2.339 -6.880 -3.835 1.00 0.00 C ATOM 228 C LEU A 15 3.823 -6.762 -4.151 1.00 0.00 C ATOM 229 O LEU A 15 4.665 -7.187 -3.363 1.00 0.00 O ATOM 230 CB LEU A 15 1.795 -5.579 -3.243 1.00 0.00 C ATOM 231 CG LEU A 15 1.438 -4.573 -4.337 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.225 -5.061 -5.128 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.103 -3.235 -3.681 1.00 0.00 C ATOM 0 H LEU A 15 2.612 -7.861 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 15 1.821 -7.090 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.912 -5.793 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.538 -5.143 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 15 2.283 -4.463 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.019 -4.336 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.454 -6.022 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.626 -5.174 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.846 -2.507 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.257 -3.363 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.966 -2.879 -3.119 1.00 0.00 H new ATOM 245 N GLU A 16 4.138 -6.172 -5.305 1.00 0.00 N ATOM 246 CA GLU A 16 5.508 -5.945 -5.717 1.00 0.00 C ATOM 247 C GLU A 16 5.617 -4.547 -6.308 1.00 0.00 C ATOM 248 O GLU A 16 4.932 -4.230 -7.279 1.00 0.00 O ATOM 249 CB GLU A 16 5.916 -7.016 -6.726 1.00 0.00 C ATOM 250 CG GLU A 16 7.374 -6.822 -7.137 1.00 0.00 C ATOM 251 CD GLU A 16 7.839 -7.942 -8.059 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.031 -8.869 -8.286 1.00 0.00 O ATOM 253 OE2 GLU A 16 9.011 -7.875 -8.487 1.00 0.00 O ATOM 0 H GLU A 16 3.444 -5.841 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 16 6.184 -6.013 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.781 -8.006 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.272 -6.963 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.488 -5.862 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.005 -6.793 -6.248 1.00 0.00 H new ATOM 260 N VAL A 17 6.435 -3.693 -5.690 1.00 0.00 N ATOM 261 CA VAL A 17 6.567 -2.315 -6.128 1.00 0.00 C ATOM 262 C VAL A 17 8.030 -1.975 -6.368 1.00 0.00 C ATOM 263 O VAL A 17 8.921 -2.640 -5.842 1.00 0.00 O ATOM 264 CB VAL A 17 5.966 -1.387 -5.070 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.477 -1.680 -4.904 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.672 -1.594 -3.730 1.00 0.00 C ATOM 0 H VAL A 17 7.013 -3.938 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 17 6.030 -2.181 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 17 6.099 -0.355 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.057 -1.015 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.966 -1.519 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.343 -2.715 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.238 -0.929 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.549 -2.629 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.733 -1.372 -3.840 1.00 0.00 H new ATOM 276 N GLU A 18 8.270 -0.886 -7.101 1.00 0.00 N ATOM 277 CA GLU A 18 9.611 -0.404 -7.363 1.00 0.00 C ATOM 278 C GLU A 18 9.976 0.614 -6.286 1.00 0.00 C ATOM 279 O GLU A 18 9.156 1.461 -5.939 1.00 0.00 O ATOM 280 CB GLU A 18 9.655 0.232 -8.752 1.00 0.00 C ATOM 281 CG GLU A 18 9.542 -0.839 -9.842 1.00 0.00 C ATOM 282 CD GLU A 18 8.257 -1.653 -9.715 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.382 -2.879 -9.501 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.173 -1.042 -9.841 1.00 0.00 O ATOM 0 H GLU A 18 7.535 -0.320 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 18 10.329 -1.224 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.841 0.950 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.586 0.786 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.574 -0.363 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.401 -1.507 -9.784 1.00 0.00 H new ATOM 291 N PRO A 19 11.202 0.539 -5.755 1.00 0.00 N ATOM 292 CA PRO A 19 11.643 1.355 -4.641 1.00 0.00 C ATOM 293 C PRO A 19 11.493 2.851 -4.904 1.00 0.00 C ATOM 294 O PRO A 19 10.986 3.577 -4.050 1.00 0.00 O ATOM 295 CB PRO A 19 13.113 0.994 -4.428 1.00 0.00 C ATOM 296 CG PRO A 19 13.259 -0.401 -5.036 1.00 0.00 C ATOM 297 CD PRO A 19 12.192 -0.449 -6.126 1.00 0.00 C ATOM 0 HA PRO A 19 11.030 1.156 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.772 1.711 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.372 0.994 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.256 -0.553 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.101 -1.179 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.621 -0.225 -7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.747 -1.442 -6.194 1.00 0.00 H new ATOM 305 N SER A 20 11.933 3.314 -6.076 1.00 0.00 N ATOM 306 CA SER A 20 11.987 4.740 -6.355 1.00 0.00 C ATOM 307 C SER A 20 10.718 5.227 -7.042 1.00 0.00 C ATOM 308 O SER A 20 10.643 6.389 -7.435 1.00 0.00 O ATOM 309 CB SER A 20 13.200 5.035 -7.234 1.00 0.00 C ATOM 310 OG SER A 20 14.373 4.584 -6.594 1.00 0.00 O ATOM 0 H SER A 20 12.255 2.720 -6.841 1.00 0.00 H new ATOM 0 HA SER A 20 12.073 5.271 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.089 4.543 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.269 6.105 -7.428 1.00 0.00 H new ATOM 0 HG SER A 20 15.149 4.773 -7.162 1.00 0.00 H new ATOM 316 N ASP A 21 9.711 4.362 -7.176 1.00 0.00 N ATOM 317 CA ASP A 21 8.477 4.764 -7.827 1.00 0.00 C ATOM 318 C ASP A 21 7.567 5.448 -6.812 1.00 0.00 C ATOM 319 O ASP A 21 6.496 5.933 -7.169 1.00 0.00 O ATOM 320 CB ASP A 21 7.794 3.547 -8.443 1.00 0.00 C ATOM 321 CG ASP A 21 8.367 3.234 -9.820 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.636 2.594 -10.606 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.531 3.623 -10.059 1.00 0.00 O ATOM 0 H ASP A 21 9.730 3.397 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 21 8.696 5.470 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.921 2.685 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.723 3.730 -8.525 1.00 0.00 H new ATOM 328 N THR A 22 8.025 5.526 -5.557 1.00 0.00 N ATOM 329 CA THR A 22 7.342 6.245 -4.492 1.00 0.00 C ATOM 330 C THR A 22 6.148 5.440 -3.980 1.00 0.00 C ATOM 331 O THR A 22 5.662 4.539 -4.661 1.00 0.00 O ATOM 332 CB THR A 22 6.920 7.629 -5.000 1.00 0.00 C ATOM 333 OG1 THR A 22 7.965 8.202 -5.755 1.00 0.00 O ATOM 334 CG2 THR A 22 6.589 8.562 -3.835 1.00 0.00 C ATOM 0 H THR A 22 8.893 5.083 -5.256 1.00 0.00 H new ATOM 0 HA THR A 22 8.021 6.382 -3.650 1.00 0.00 H new ATOM 0 HB THR A 22 6.032 7.503 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.689 9.085 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.293 9.537 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.771 8.139 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.467 8.676 -3.199 1.00 0.00 H new ATOM 342 N ILE A 23 5.667 5.784 -2.782 1.00 0.00 N ATOM 343 CA ILE A 23 4.512 5.143 -2.172 1.00 0.00 C ATOM 344 C ILE A 23 3.329 5.156 -3.134 1.00 0.00 C ATOM 345 O ILE A 23 2.455 4.296 -3.051 1.00 0.00 O ATOM 346 CB ILE A 23 4.159 5.878 -0.874 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.256 5.662 0.172 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.824 5.372 -0.326 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.283 4.212 0.656 1.00 0.00 C ATOM 0 H ILE A 23 6.076 6.522 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 23 4.750 4.104 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 23 4.076 6.943 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.225 5.924 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.090 6.328 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.585 5.902 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.039 5.549 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.896 4.304 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.072 4.091 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.322 3.960 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.474 3.550 -0.189 1.00 0.00 H new ATOM 361 N GLU A 24 3.289 6.139 -4.035 1.00 0.00 N ATOM 362 CA GLU A 24 2.214 6.249 -5.003 1.00 0.00 C ATOM 363 C GLU A 24 2.087 4.950 -5.792 1.00 0.00 C ATOM 364 O GLU A 24 0.985 4.564 -6.180 1.00 0.00 O ATOM 365 CB GLU A 24 2.506 7.424 -5.934 1.00 0.00 C ATOM 366 CG GLU A 24 1.458 7.492 -7.041 1.00 0.00 C ATOM 367 CD GLU A 24 1.703 8.693 -7.943 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.199 9.780 -7.584 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.509 8.539 -8.885 1.00 0.00 O ATOM 0 H GLU A 24 3.996 6.870 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 24 1.268 6.425 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.508 8.355 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.499 7.314 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.486 6.576 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.462 7.558 -6.602 1.00 0.00 H new ATOM 376 N ASN A 25 3.207 4.251 -5.985 1.00 0.00 N ATOM 377 CA ASN A 25 3.222 3.017 -6.746 1.00 0.00 C ATOM 378 C ASN A 25 2.514 1.909 -5.976 1.00 0.00 C ATOM 379 O ASN A 25 1.909 1.025 -6.578 1.00 0.00 O ATOM 380 CB ASN A 25 4.671 2.627 -7.020 1.00 0.00 C ATOM 381 CG ASN A 25 4.764 1.501 -8.044 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.759 1.095 -8.619 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.977 0.994 -8.265 1.00 0.00 N ATOM 0 H ASN A 25 4.118 4.528 -5.619 1.00 0.00 H new ATOM 0 HA ASN A 25 2.695 3.163 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.220 3.496 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.147 2.315 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.098 0.236 -8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.784 1.364 -7.763 1.00 0.00 H new ATOM 390 N VAL A 26 2.550 1.972 -4.643 1.00 0.00 N ATOM 391 CA VAL A 26 1.915 0.953 -3.830 1.00 0.00 C ATOM 392 C VAL A 26 0.413 0.977 -4.078 1.00 0.00 C ATOM 393 O VAL A 26 -0.239 -0.064 -4.046 1.00 0.00 O ATOM 394 CB VAL A 26 2.226 1.205 -2.353 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.598 0.106 -1.497 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.737 1.214 -2.130 1.00 0.00 C ATOM 0 H VAL A 26 3.010 2.714 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 26 2.300 -0.031 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 26 1.813 2.172 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.822 0.290 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.518 0.104 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.005 -0.861 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.948 1.394 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.154 0.251 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.189 2.004 -2.731 1.00 0.00 H new ATOM 406 N LYS A 27 -0.128 2.161 -4.378 1.00 0.00 N ATOM 407 CA LYS A 27 -1.543 2.298 -4.668 1.00 0.00 C ATOM 408 C LYS A 27 -1.819 1.926 -6.120 1.00 0.00 C ATOM 409 O LYS A 27 -2.902 1.443 -6.440 1.00 0.00 O ATOM 410 CB LYS A 27 -1.979 3.740 -4.418 1.00 0.00 C ATOM 411 CG LYS A 27 -1.705 4.138 -2.969 1.00 0.00 C ATOM 412 CD LYS A 27 -2.257 5.540 -2.712 1.00 0.00 C ATOM 413 CE LYS A 27 -1.553 6.548 -3.619 1.00 0.00 C ATOM 414 NZ LYS A 27 -2.043 7.914 -3.377 1.00 0.00 N ATOM 0 H LYS A 27 0.399 3.033 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.105 1.629 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.445 4.410 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.041 3.848 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.170 3.423 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.633 4.116 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.331 5.558 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.110 5.813 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.478 6.508 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.718 6.279 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.548 8.577 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.065 7.955 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.863 8.177 -2.387 1.00 0.00 H new ATOM 428 N ALA A 28 -0.839 2.151 -7.000 1.00 0.00 N ATOM 429 CA ALA A 28 -1.025 1.920 -8.420 1.00 0.00 C ATOM 430 C ALA A 28 -1.093 0.430 -8.724 1.00 0.00 C ATOM 431 O ALA A 28 -1.890 0.007 -9.560 1.00 0.00 O ATOM 432 CB ALA A 28 0.126 2.565 -9.189 1.00 0.00 C ATOM 0 H ALA A 28 0.088 2.493 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.969 2.368 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.009 2.394 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.140 3.637 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.070 2.125 -8.868 1.00 0.00 H new ATOM 438 N LYS A 29 -0.306 -0.378 -8.009 1.00 0.00 N ATOM 439 CA LYS A 29 -0.294 -1.809 -8.245 1.00 0.00 C ATOM 440 C LYS A 29 -1.577 -2.433 -7.709 1.00 0.00 C ATOM 441 O LYS A 29 -1.953 -3.526 -8.126 1.00 0.00 O ATOM 442 CB LYS A 29 0.924 -2.434 -7.564 1.00 0.00 C ATOM 443 CG LYS A 29 2.224 -1.835 -8.101 1.00 0.00 C ATOM 444 CD LYS A 29 2.480 -2.269 -9.542 1.00 0.00 C ATOM 445 CE LYS A 29 3.797 -1.654 -10.012 1.00 0.00 C ATOM 446 NZ LYS A 29 4.868 -2.661 -10.073 1.00 0.00 N ATOM 0 H LYS A 29 0.323 -0.062 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.234 -1.997 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.864 -2.274 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.922 -3.512 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.174 -0.747 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.058 -2.146 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.526 -3.356 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.661 -1.946 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.660 -1.206 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.088 -0.852 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.793 -2.185 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.793 -3.297 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.776 -3.213 -10.950 1.00 0.00 H new ATOM 460 N ILE A 30 -2.258 -1.738 -6.792 1.00 0.00 N ATOM 461 CA ILE A 30 -3.497 -2.241 -6.230 1.00 0.00 C ATOM 462 C ILE A 30 -4.674 -1.734 -7.055 1.00 0.00 C ATOM 463 O ILE A 30 -5.692 -2.413 -7.161 1.00 0.00 O ATOM 464 CB ILE A 30 -3.624 -1.780 -4.778 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.493 -2.401 -3.955 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.970 -2.236 -4.210 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.457 -1.775 -2.562 1.00 0.00 C ATOM 0 H ILE A 30 -1.966 -0.830 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.496 -3.331 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.562 -0.693 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.639 -3.478 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.538 -2.245 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.059 -1.906 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.779 -1.803 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.033 -3.323 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.649 -2.223 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.289 -0.702 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.407 -1.954 -2.058 1.00 0.00 H new ATOM 479 N GLN A 31 -4.522 -0.566 -7.682 1.00 0.00 N ATOM 480 CA GLN A 31 -5.566 -0.033 -8.535 1.00 0.00 C ATOM 481 C GLN A 31 -5.764 -0.962 -9.725 1.00 0.00 C ATOM 482 O GLN A 31 -6.870 -1.090 -10.243 1.00 0.00 O ATOM 483 CB GLN A 31 -5.179 1.371 -8.995 1.00 0.00 C ATOM 484 CG GLN A 31 -6.290 1.956 -9.866 1.00 0.00 C ATOM 485 CD GLN A 31 -5.955 3.377 -10.294 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.793 3.700 -10.531 1.00 0.00 O ATOM 487 NE2 GLN A 31 -6.974 4.234 -10.381 1.00 0.00 N ATOM 0 H GLN A 31 -3.690 0.019 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.505 0.032 -7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.007 2.012 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.245 1.335 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.433 1.331 -10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.230 1.950 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.923 3.921 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.804 5.202 -10.654 1.00 0.00 H new ATOM 496 N ASP A 32 -4.685 -1.618 -10.153 1.00 0.00 N ATOM 497 CA ASP A 32 -4.733 -2.539 -11.270 1.00 0.00 C ATOM 498 C ASP A 32 -5.306 -3.881 -10.834 1.00 0.00 C ATOM 499 O ASP A 32 -5.833 -4.627 -11.657 1.00 0.00 O ATOM 500 CB ASP A 32 -3.322 -2.724 -11.819 1.00 0.00 C ATOM 501 CG ASP A 32 -3.345 -3.533 -13.106 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.053 -4.745 -13.023 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.530 -2.897 -14.167 1.00 0.00 O ATOM 0 H ASP A 32 -3.761 -1.521 -9.732 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.381 -2.131 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.869 -1.750 -12.004 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.702 -3.229 -11.078 1.00 0.00 H new ATOM 508 N LYS A 33 -5.182 -4.203 -9.542 1.00 0.00 N ATOM 509 CA LYS A 33 -5.554 -5.520 -9.059 1.00 0.00 C ATOM 510 C LYS A 33 -6.953 -5.513 -8.449 1.00 0.00 C ATOM 511 O LYS A 33 -7.773 -6.366 -8.781 1.00 0.00 O ATOM 512 CB LYS A 33 -4.518 -5.985 -8.035 1.00 0.00 C ATOM 513 CG LYS A 33 -4.515 -7.511 -7.932 1.00 0.00 C ATOM 514 CD LYS A 33 -3.954 -8.102 -9.227 1.00 0.00 C ATOM 515 CE LYS A 33 -3.732 -9.603 -9.067 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.232 -10.198 -10.317 1.00 0.00 N ATOM 0 H LYS A 33 -4.829 -3.570 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.574 -6.214 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.528 -5.632 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.740 -5.549 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.911 -7.829 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.527 -7.878 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.644 -7.914 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.014 -7.613 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.019 -9.785 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.667 -10.084 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.089 -11.219 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.925 -10.043 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.328 -9.753 -10.576 1.00 0.00 H new ATOM 530 N GLU A 34 -7.230 -4.556 -7.558 1.00 0.00 N ATOM 531 CA GLU A 34 -8.505 -4.500 -6.866 1.00 0.00 C ATOM 532 C GLU A 34 -9.393 -3.405 -7.454 1.00 0.00 C ATOM 533 O GLU A 34 -10.598 -3.392 -7.216 1.00 0.00 O ATOM 534 CB GLU A 34 -8.257 -4.261 -5.376 1.00 0.00 C ATOM 535 CG GLU A 34 -9.525 -4.544 -4.569 1.00 0.00 C ATOM 536 CD GLU A 34 -10.009 -5.972 -4.783 1.00 0.00 C ATOM 537 OE1 GLU A 34 -11.105 -6.123 -5.364 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.282 -6.890 -4.344 1.00 0.00 O ATOM 0 H GLU A 34 -6.581 -3.811 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.027 -5.448 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.447 -4.903 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.939 -3.231 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.329 -4.379 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.308 -3.844 -4.861 1.00 0.00 H new ATOM 545 N GLY A 35 -8.807 -2.501 -8.244 1.00 0.00 N ATOM 546 CA GLY A 35 -9.568 -1.471 -8.931 1.00 0.00 C ATOM 547 C GLY A 35 -9.865 -0.273 -8.032 1.00 0.00 C ATOM 548 O GLY A 35 -10.461 0.699 -8.491 1.00 0.00 O ATOM 0 H GLY A 35 -7.803 -2.468 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.013 -1.136 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.506 -1.894 -9.290 1.00 0.00 H new ATOM 552 N ILE A 36 -9.476 -0.338 -6.756 1.00 0.00 N ATOM 553 CA ILE A 36 -9.753 0.741 -5.820 1.00 0.00 C ATOM 554 C ILE A 36 -8.898 1.961 -6.159 1.00 0.00 C ATOM 555 O ILE A 36 -7.674 1.900 -6.059 1.00 0.00 O ATOM 556 CB ILE A 36 -9.467 0.265 -4.395 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.306 -0.981 -4.100 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.819 1.380 -3.409 1.00 0.00 C ATOM 559 CD1 ILE A 36 -9.964 -1.540 -2.720 1.00 0.00 C ATOM 0 H ILE A 36 -8.970 -1.127 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.802 1.026 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.411 0.017 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.366 -0.732 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.123 -1.739 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.616 1.044 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.216 2.262 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.876 1.630 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.569 -2.425 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.908 -1.808 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.170 -0.786 -1.961 1.00 0.00 H new ATOM 571 N PRO A 37 -9.537 3.084 -6.512 1.00 0.00 N ATOM 572 CA PRO A 37 -8.855 4.317 -6.855 1.00 0.00 C ATOM 573 C PRO A 37 -8.116 4.894 -5.648 1.00 0.00 C ATOM 574 O PRO A 37 -8.456 4.585 -4.507 1.00 0.00 O ATOM 575 CB PRO A 37 -9.945 5.288 -7.316 1.00 0.00 C ATOM 576 CG PRO A 37 -11.184 4.423 -7.558 1.00 0.00 C ATOM 577 CD PRO A 37 -10.968 3.194 -6.682 1.00 0.00 C ATOM 0 HA PRO A 37 -8.108 4.144 -7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.139 6.049 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.647 5.810 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.097 4.951 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.278 4.150 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.469 3.305 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.377 2.300 -7.153 1.00 0.00 H new ATOM 585 N PRO A 38 -7.197 5.835 -5.895 1.00 0.00 N ATOM 586 CA PRO A 38 -6.468 6.546 -4.863 1.00 0.00 C ATOM 587 C PRO A 38 -7.412 7.391 -4.011 1.00 0.00 C ATOM 588 O PRO A 38 -8.565 7.600 -4.383 1.00 0.00 O ATOM 589 CB PRO A 38 -5.470 7.446 -5.593 1.00 0.00 C ATOM 590 CG PRO A 38 -5.405 6.901 -7.020 1.00 0.00 C ATOM 591 CD PRO A 38 -6.740 6.189 -7.220 1.00 0.00 C ATOM 0 HA PRO A 38 -5.968 5.850 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.798 8.486 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.491 7.416 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.271 7.704 -7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.567 6.215 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.458 6.838 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.621 5.303 -7.843 1.00 0.00 H new ATOM 599 N ASP A 39 -6.891 7.918 -2.897 1.00 0.00 N ATOM 600 CA ASP A 39 -7.605 8.808 -1.989 1.00 0.00 C ATOM 601 C ASP A 39 -8.666 8.057 -1.195 1.00 0.00 C ATOM 602 O ASP A 39 -8.739 8.194 0.025 1.00 0.00 O ATOM 603 CB ASP A 39 -8.221 9.976 -2.758 1.00 0.00 C ATOM 604 CG ASP A 39 -8.707 11.046 -1.790 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.911 11.002 -1.456 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.842 11.808 -1.306 1.00 0.00 O ATOM 0 H ASP A 39 -5.934 7.729 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.885 9.208 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.484 10.400 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.053 9.622 -3.367 1.00 0.00 H new ATOM 611 N GLN A 40 -9.471 7.242 -1.879 1.00 0.00 N ATOM 612 CA GLN A 40 -10.475 6.424 -1.226 1.00 0.00 C ATOM 613 C GLN A 40 -9.775 5.417 -0.322 1.00 0.00 C ATOM 614 O GLN A 40 -10.394 4.834 0.566 1.00 0.00 O ATOM 615 CB GLN A 40 -11.313 5.713 -2.287 1.00 0.00 C ATOM 616 CG GLN A 40 -12.177 6.736 -3.022 1.00 0.00 C ATOM 617 CD GLN A 40 -12.934 6.089 -4.175 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.558 5.044 -4.005 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.885 6.717 -5.351 1.00 0.00 N ATOM 0 H GLN A 40 -9.440 7.136 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.138 7.042 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.663 5.196 -2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.944 4.956 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.885 7.186 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.548 7.541 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.354 7.583 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.379 6.331 -6.156 1.00 0.00 H new ATOM 628 N GLN A 41 -8.473 5.230 -0.554 1.00 0.00 N ATOM 629 CA GLN A 41 -7.644 4.339 0.226 1.00 0.00 C ATOM 630 C GLN A 41 -6.563 5.142 0.945 1.00 0.00 C ATOM 631 O GLN A 41 -6.225 6.246 0.523 1.00 0.00 O ATOM 632 CB GLN A 41 -7.036 3.294 -0.711 1.00 0.00 C ATOM 633 CG GLN A 41 -6.053 3.961 -1.672 1.00 0.00 C ATOM 634 CD GLN A 41 -5.532 2.961 -2.693 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.529 2.292 -2.457 1.00 0.00 O ATOM 636 NE2 GLN A 41 -6.225 2.848 -3.826 1.00 0.00 N ATOM 0 H GLN A 41 -7.968 5.705 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.237 3.828 0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.525 2.526 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.825 2.795 -1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.544 4.789 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.219 4.383 -1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.052 3.425 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.928 2.184 -4.541 1.00 0.00 H new ATOM 645 N ARG A 42 -5.989 4.561 2.001 1.00 0.00 N ATOM 646 CA ARG A 42 -4.908 5.173 2.751 1.00 0.00 C ATOM 647 C ARG A 42 -4.006 4.084 3.324 1.00 0.00 C ATOM 648 O ARG A 42 -4.486 3.044 3.769 1.00 0.00 O ATOM 649 CB ARG A 42 -5.496 6.051 3.855 1.00 0.00 C ATOM 650 CG ARG A 42 -5.155 7.513 3.568 1.00 0.00 C ATOM 651 CD ARG A 42 -6.103 8.438 4.326 1.00 0.00 C ATOM 652 NE ARG A 42 -7.433 8.437 3.712 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.266 9.488 3.744 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.920 10.598 4.408 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.438 9.431 3.100 1.00 0.00 N ATOM 0 H ARG A 42 -6.269 3.647 2.356 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.303 5.803 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.577 5.920 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.095 5.755 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.125 7.717 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.226 7.706 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.177 8.118 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.701 9.451 4.333 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.743 7.591 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.022 10.645 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.554 11.397 4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.697 8.589 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.072 10.229 3.124 1.00 0.00 H new ATOM 669 N LEU A 43 -2.695 4.335 3.313 1.00 0.00 N ATOM 670 CA LEU A 43 -1.693 3.370 3.726 1.00 0.00 C ATOM 671 C LEU A 43 -1.080 3.782 5.060 1.00 0.00 C ATOM 672 O LEU A 43 -1.066 4.961 5.406 1.00 0.00 O ATOM 673 CB LEU A 43 -0.603 3.312 2.654 1.00 0.00 C ATOM 674 CG LEU A 43 -1.002 2.378 1.512 1.00 0.00 C ATOM 675 CD1 LEU A 43 -0.045 2.559 0.336 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.936 0.927 1.986 1.00 0.00 C ATOM 0 H LEU A 43 -2.302 5.227 3.012 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.156 2.391 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.421 4.313 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.331 2.969 3.099 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.018 2.618 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.334 1.891 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.087 3.591 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.971 2.325 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.221 0.264 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.080 0.694 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.620 0.786 2.823 1.00 0.00 H new ATOM 688 N ALA A 44 -0.528 2.804 5.783 1.00 0.00 N ATOM 689 CA ALA A 44 0.164 3.041 7.036 1.00 0.00 C ATOM 690 C ALA A 44 1.092 1.866 7.329 1.00 0.00 C ATOM 691 O ALA A 44 1.020 0.836 6.660 1.00 0.00 O ATOM 692 CB ALA A 44 -0.859 3.210 8.158 1.00 0.00 C ATOM 0 H ALA A 44 -0.553 1.822 5.507 1.00 0.00 H new ATOM 0 HA ALA A 44 0.759 3.951 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.340 3.388 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.507 4.058 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.461 2.305 8.241 1.00 0.00 H new ATOM 698 N PHE A 45 1.949 2.013 8.342 1.00 0.00 N ATOM 699 CA PHE A 45 2.883 0.972 8.734 1.00 0.00 C ATOM 700 C PHE A 45 3.047 0.970 10.247 1.00 0.00 C ATOM 701 O PHE A 45 3.673 1.869 10.801 1.00 0.00 O ATOM 702 CB PHE A 45 4.222 1.206 8.037 1.00 0.00 C ATOM 703 CG PHE A 45 5.186 0.045 8.150 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.783 -0.255 9.382 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.493 -0.726 7.021 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.690 -1.317 9.482 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.399 -1.789 7.121 1.00 0.00 C ATOM 708 CZ PHE A 45 7.000 -2.083 8.351 1.00 0.00 C ATOM 0 H PHE A 45 2.010 2.859 8.909 1.00 0.00 H new ATOM 0 HA PHE A 45 2.500 -0.003 8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.040 1.412 6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.689 2.095 8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.543 0.334 10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.030 -0.500 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.151 -1.546 10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.634 -2.382 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.702 -2.900 8.428 1.00 0.00 H new ATOM 718 N ALA A 46 2.499 -0.049 10.915 1.00 0.00 N ATOM 719 CA ALA A 46 2.565 -0.155 12.364 1.00 0.00 C ATOM 720 C ALA A 46 2.033 1.115 13.028 1.00 0.00 C ATOM 721 O ALA A 46 2.345 1.387 14.184 1.00 0.00 O ATOM 722 CB ALA A 46 4.002 -0.448 12.791 1.00 0.00 C ATOM 0 H ALA A 46 2.001 -0.817 10.464 1.00 0.00 H new ATOM 0 HA ALA A 46 1.931 -0.979 12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.050 -0.527 13.877 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.330 -1.386 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.653 0.360 12.457 1.00 0.00 H new ATOM 728 N GLY A 47 1.240 1.896 12.289 1.00 0.00 N ATOM 729 CA GLY A 47 0.638 3.112 12.807 1.00 0.00 C ATOM 730 C GLY A 47 1.341 4.346 12.257 1.00 0.00 C ATOM 731 O GLY A 47 0.833 5.457 12.389 1.00 0.00 O ATOM 0 H GLY A 47 1.002 1.697 11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.418 3.141 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.692 3.113 13.896 1.00 0.00 H new ATOM 735 N LYS A 48 2.481 4.150 11.591 1.00 0.00 N ATOM 736 CA LYS A 48 3.194 5.247 10.968 1.00 0.00 C ATOM 737 C LYS A 48 2.492 5.611 9.670 1.00 0.00 C ATOM 738 O LYS A 48 2.331 4.763 8.794 1.00 0.00 O ATOM 739 CB LYS A 48 4.638 4.828 10.688 1.00 0.00 C ATOM 740 CG LYS A 48 5.319 4.376 11.980 1.00 0.00 C ATOM 741 CD LYS A 48 6.741 3.914 11.669 1.00 0.00 C ATOM 742 CE LYS A 48 7.425 3.458 12.955 1.00 0.00 C ATOM 743 NZ LYS A 48 8.781 2.955 12.684 1.00 0.00 N ATOM 0 H LYS A 48 2.923 3.238 11.474 1.00 0.00 H new ATOM 0 HA LYS A 48 3.205 6.112 11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.654 4.019 9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.188 5.662 10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.340 5.195 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.753 3.565 12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.719 3.097 10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.306 4.727 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.476 4.289 13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.832 2.676 13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.223 2.652 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.728 2.147 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.352 3.710 12.254 1.00 0.00 H new ATOM 757 N GLN A 49 2.054 6.865 9.549 1.00 0.00 N ATOM 758 CA GLN A 49 1.391 7.321 8.344 1.00 0.00 C ATOM 759 C GLN A 49 2.396 7.360 7.203 1.00 0.00 C ATOM 760 O GLN A 49 3.549 7.734 7.409 1.00 0.00 O ATOM 761 CB GLN A 49 0.783 8.704 8.580 1.00 0.00 C ATOM 762 CG GLN A 49 0.053 8.729 9.921 1.00 0.00 C ATOM 763 CD GLN A 49 -0.615 10.077 10.156 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.246 10.802 11.076 1.00 0.00 O ATOM 765 NE2 GLN A 49 -1.614 10.403 9.334 1.00 0.00 N ATOM 0 H GLN A 49 2.150 7.576 10.274 1.00 0.00 H new ATOM 0 HA GLN A 49 0.587 6.634 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.566 9.462 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.091 8.949 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.697 7.939 9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.758 8.524 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.885 9.768 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.107 11.288 9.456 1.00 0.00 H new ATOM 774 N LEU A 50 1.969 6.959 6.004 1.00 0.00 N ATOM 775 CA LEU A 50 2.841 6.979 4.845 1.00 0.00 C ATOM 776 C LEU A 50 2.414 8.101 3.909 1.00 0.00 C ATOM 777 O LEU A 50 1.239 8.461 3.866 1.00 0.00 O ATOM 778 CB LEU A 50 2.783 5.623 4.141 1.00 0.00 C ATOM 779 CG LEU A 50 3.182 4.504 5.105 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.061 3.159 4.394 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.623 4.693 5.579 1.00 0.00 C ATOM 0 H LEU A 50 1.026 6.619 5.818 1.00 0.00 H new ATOM 0 HA LEU A 50 3.870 7.162 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.776 5.445 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.451 5.625 3.279 1.00 0.00 H new ATOM 0 HG LEU A 50 2.519 4.533 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.345 2.359 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.031 3.011 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.721 3.145 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.889 3.888 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.294 4.676 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.715 5.651 6.092 1.00 0.00 H new ATOM 793 N GLU A 51 3.367 8.647 3.150 1.00 0.00 N ATOM 794 CA GLU A 51 3.089 9.726 2.223 1.00 0.00 C ATOM 795 C GLU A 51 4.035 9.634 1.030 1.00 0.00 C ATOM 796 O GLU A 51 5.063 8.962 1.101 1.00 0.00 O ATOM 797 CB GLU A 51 3.242 11.060 2.954 1.00 0.00 C ATOM 798 CG GLU A 51 2.778 12.216 2.071 1.00 0.00 C ATOM 799 CD GLU A 51 2.709 13.509 2.872 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.694 14.275 2.805 1.00 0.00 O ATOM 801 OE2 GLU A 51 1.689 13.688 3.573 1.00 0.00 O ATOM 0 H GLU A 51 4.343 8.351 3.166 1.00 0.00 H new ATOM 0 HA GLU A 51 2.069 9.650 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.661 11.044 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.284 11.208 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.463 12.338 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.798 11.989 1.651 1.00 0.00 H new ATOM 808 N ASP A 52 3.653 10.264 -0.083 1.00 0.00 N ATOM 809 CA ASP A 52 4.457 10.286 -1.292 1.00 0.00 C ATOM 810 C ASP A 52 5.577 11.313 -1.162 1.00 0.00 C ATOM 811 O ASP A 52 5.526 12.183 -0.295 1.00 0.00 O ATOM 812 CB ASP A 52 3.563 10.632 -2.481 1.00 0.00 C ATOM 813 CG ASP A 52 2.892 11.987 -2.282 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.759 11.987 -1.754 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.543 13.002 -2.614 1.00 0.00 O ATOM 0 H ASP A 52 2.773 10.773 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 52 4.906 9.305 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.157 10.647 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.803 9.861 -2.606 1.00 0.00 H new ATOM 820 N GLY A 53 6.586 11.211 -2.032 1.00 0.00 N ATOM 821 CA GLY A 53 7.670 12.177 -2.080 1.00 0.00 C ATOM 822 C GLY A 53 8.994 11.555 -1.652 1.00 0.00 C ATOM 823 O GLY A 53 10.024 12.225 -1.682 1.00 0.00 O ATOM 0 H GLY A 53 6.668 10.459 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.763 12.571 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.436 13.020 -1.430 1.00 0.00 H new ATOM 827 N ARG A 54 8.973 10.290 -1.225 1.00 0.00 N ATOM 828 CA ARG A 54 10.186 9.624 -0.787 1.00 0.00 C ATOM 829 C ARG A 54 10.210 8.181 -1.280 1.00 0.00 C ATOM 830 O ARG A 54 9.160 7.580 -1.501 1.00 0.00 O ATOM 831 CB ARG A 54 10.261 9.692 0.739 1.00 0.00 C ATOM 832 CG ARG A 54 11.547 9.043 1.246 1.00 0.00 C ATOM 833 CD ARG A 54 11.643 9.223 2.758 1.00 0.00 C ATOM 834 NE ARG A 54 12.856 8.597 3.287 1.00 0.00 N ATOM 835 CZ ARG A 54 13.334 8.840 4.514 1.00 0.00 C ATOM 836 NH1 ARG A 54 12.688 9.682 5.331 1.00 0.00 N ATOM 837 NH2 ARG A 54 14.461 8.244 4.922 1.00 0.00 N ATOM 0 H ARG A 54 8.131 9.716 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 54 11.058 10.125 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.220 10.732 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.398 9.188 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.556 7.983 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.412 9.494 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.642 10.285 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.766 8.786 3.236 1.00 0.00 H new ATOM 0 HE ARG A 54 13.363 7.943 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.831 10.139 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.053 9.866 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.955 7.605 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.826 8.428 5.856 1.00 0.00 H new ATOM 851 N THR A 55 11.414 7.611 -1.385 1.00 0.00 N ATOM 852 CA THR A 55 11.603 6.224 -1.768 1.00 0.00 C ATOM 853 C THR A 55 10.917 5.332 -0.741 1.00 0.00 C ATOM 854 O THR A 55 11.260 5.371 0.439 1.00 0.00 O ATOM 855 CB THR A 55 13.103 5.934 -1.830 1.00 0.00 C ATOM 856 OG1 THR A 55 13.718 6.854 -2.704 1.00 0.00 O ATOM 857 CG2 THR A 55 13.360 4.516 -2.330 1.00 0.00 C ATOM 0 H THR A 55 12.285 8.109 -1.204 1.00 0.00 H new ATOM 0 HA THR A 55 11.166 6.027 -2.747 1.00 0.00 H new ATOM 0 HB THR A 55 13.519 6.031 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.680 6.673 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.434 4.332 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.892 3.801 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.938 4.400 -3.328 1.00 0.00 H new ATOM 865 N LEU A 56 9.925 4.554 -1.178 1.00 0.00 N ATOM 866 CA LEU A 56 9.123 3.764 -0.263 1.00 0.00 C ATOM 867 C LEU A 56 9.976 2.734 0.471 1.00 0.00 C ATOM 868 O LEU A 56 9.744 2.475 1.650 1.00 0.00 O ATOM 869 CB LEU A 56 7.979 3.095 -1.033 1.00 0.00 C ATOM 870 CG LEU A 56 8.495 2.097 -2.074 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.552 0.690 -1.481 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.535 2.077 -3.260 1.00 0.00 C ATOM 0 H LEU A 56 9.664 4.459 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 56 8.698 4.423 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.322 2.580 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.380 3.859 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 56 9.494 2.401 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.921 -0.007 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.222 0.684 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.554 0.388 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.894 1.369 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.544 1.775 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.480 3.072 -3.701 1.00 0.00 H new ATOM 884 N SER A 57 11.008 2.201 -0.189 1.00 0.00 N ATOM 885 CA SER A 57 11.837 1.177 0.422 1.00 0.00 C ATOM 886 C SER A 57 12.762 1.791 1.463 1.00 0.00 C ATOM 887 O SER A 57 13.225 1.098 2.367 1.00 0.00 O ATOM 888 CB SER A 57 12.649 0.468 -0.657 1.00 0.00 C ATOM 889 OG SER A 57 11.773 -0.133 -1.584 1.00 0.00 O ATOM 0 H SER A 57 11.282 2.463 -1.136 1.00 0.00 H new ATOM 0 HA SER A 57 11.195 0.452 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.300 1.180 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.293 -0.287 -0.206 1.00 0.00 H new ATOM 0 HG SER A 57 12.294 -0.587 -2.279 1.00 0.00 H new ATOM 895 N ASP A 58 13.014 3.097 1.353 1.00 0.00 N ATOM 896 CA ASP A 58 13.850 3.796 2.310 1.00 0.00 C ATOM 897 C ASP A 58 12.983 4.398 3.408 1.00 0.00 C ATOM 898 O ASP A 58 13.484 4.762 4.470 1.00 0.00 O ATOM 899 CB ASP A 58 14.634 4.888 1.587 1.00 0.00 C ATOM 900 CG ASP A 58 15.580 5.602 2.541 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.326 6.798 2.804 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.582 4.964 2.931 1.00 0.00 O ATOM 0 H ASP A 58 12.646 3.686 0.606 1.00 0.00 H new ATOM 0 HA ASP A 58 14.551 3.098 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.202 4.450 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.943 5.607 1.148 1.00 0.00 H new ATOM 907 N TYR A 59 11.672 4.470 3.162 1.00 0.00 N ATOM 908 CA TYR A 59 10.742 5.067 4.099 1.00 0.00 C ATOM 909 C TYR A 59 10.472 4.119 5.262 1.00 0.00 C ATOM 910 O TYR A 59 10.895 4.383 6.386 1.00 0.00 O ATOM 911 CB TYR A 59 9.448 5.426 3.368 1.00 0.00 C ATOM 912 CG TYR A 59 8.810 6.705 3.859 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.342 7.647 2.933 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.696 6.955 5.234 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.759 8.841 3.375 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.111 8.146 5.685 1.00 0.00 C ATOM 917 CZ TYR A 59 7.640 9.094 4.756 1.00 0.00 C ATOM 918 OH TYR A 59 7.067 10.253 5.190 1.00 0.00 O ATOM 0 H TYR A 59 11.236 4.116 2.310 1.00 0.00 H new ATOM 0 HA TYR A 59 11.177 5.977 4.511 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.657 5.520 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.737 4.608 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.431 7.451 1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.059 6.229 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.401 9.566 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.021 8.337 6.744 1.00 0.00 H new ATOM 0 HH TYR A 59 7.062 10.269 6.170 1.00 0.00 H new ATOM 928 N ASN A 60 9.748 3.026 4.998 1.00 0.00 N ATOM 929 CA ASN A 60 9.384 2.080 6.039 1.00 0.00 C ATOM 930 C ASN A 60 9.205 0.680 5.462 1.00 0.00 C ATOM 931 O ASN A 60 9.290 -0.300 6.198 1.00 0.00 O ATOM 932 CB ASN A 60 8.086 2.535 6.705 1.00 0.00 C ATOM 933 CG ASN A 60 8.356 3.570 7.787 1.00 0.00 C ATOM 934 OD1 ASN A 60 9.106 3.308 8.725 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.711 4.732 7.682 1.00 0.00 N ATOM 0 H ASN A 60 9.406 2.781 4.069 1.00 0.00 H new ATOM 0 HA ASN A 60 10.186 2.046 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.417 2.956 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.576 1.675 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.830 5.448 8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.098 4.905 6.885 1.00 0.00 H new ATOM 942 N ILE A 61 8.901 0.576 4.165 1.00 0.00 N ATOM 943 CA ILE A 61 8.686 -0.721 3.547 1.00 0.00 C ATOM 944 C ILE A 61 9.905 -1.602 3.791 1.00 0.00 C ATOM 945 O ILE A 61 11.041 -1.149 3.656 1.00 0.00 O ATOM 946 CB ILE A 61 8.422 -0.555 2.045 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.956 -0.190 1.802 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.701 -1.875 1.325 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.706 1.273 2.157 1.00 0.00 C ATOM 0 H ILE A 61 8.801 1.371 3.533 1.00 0.00 H new ATOM 0 HA ILE A 61 7.812 -1.197 3.990 1.00 0.00 H new ATOM 0 HB ILE A 61 9.072 0.235 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.699 -0.366 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.311 -0.832 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.513 -1.754 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.741 -2.161 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.048 -2.652 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.659 1.517 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.943 1.438 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.337 1.911 1.538 1.00 0.00 H new ATOM 961 N GLN A 62 9.663 -2.873 4.125 1.00 0.00 N ATOM 962 CA GLN A 62 10.729 -3.834 4.325 1.00 0.00 C ATOM 963 C GLN A 62 10.428 -5.089 3.518 1.00 0.00 C ATOM 964 O GLN A 62 9.324 -5.252 3.000 1.00 0.00 O ATOM 965 CB GLN A 62 10.865 -4.167 5.811 1.00 0.00 C ATOM 966 CG GLN A 62 11.576 -3.032 6.545 1.00 0.00 C ATOM 967 CD GLN A 62 11.835 -3.409 7.998 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.591 -4.338 8.274 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.230 -2.673 8.931 1.00 0.00 N ATOM 0 H GLN A 62 8.727 -3.254 4.261 1.00 0.00 H new ATOM 0 HA GLN A 62 11.674 -3.410 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.879 -4.329 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.424 -5.095 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.520 -2.807 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.969 -2.128 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.610 -1.911 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.387 -2.872 9.919 1.00 0.00 H new ATOM 978 N LYS A 63 11.420 -5.973 3.412 1.00 0.00 N ATOM 979 CA LYS A 63 11.300 -7.200 2.650 1.00 0.00 C ATOM 980 C LYS A 63 10.185 -8.072 3.213 1.00 0.00 C ATOM 981 O LYS A 63 10.206 -8.437 4.387 1.00 0.00 O ATOM 982 CB LYS A 63 12.644 -7.931 2.651 1.00 0.00 C ATOM 983 CG LYS A 63 13.127 -8.186 4.078 1.00 0.00 C ATOM 984 CD LYS A 63 14.559 -8.710 4.045 1.00 0.00 C ATOM 985 CE LYS A 63 15.050 -8.922 5.474 1.00 0.00 C ATOM 986 NZ LYS A 63 16.457 -9.350 5.495 1.00 0.00 N ATOM 0 H LYS A 63 12.330 -5.851 3.857 1.00 0.00 H new ATOM 0 HA LYS A 63 11.036 -6.966 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.547 -8.879 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.384 -7.339 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.079 -7.265 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.476 -8.908 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.603 -9.647 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.206 -8.002 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.940 -7.997 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.431 -9.672 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.764 -9.486 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.555 -10.245 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.048 -8.622 5.046 1.00 0.00 H new ATOM 1000 N GLU A 64 9.204 -8.392 2.365 1.00 0.00 N ATOM 1001 CA GLU A 64 8.099 -9.265 2.717 1.00 0.00 C ATOM 1002 C GLU A 64 7.497 -8.871 4.061 1.00 0.00 C ATOM 1003 O GLU A 64 7.170 -9.736 4.872 1.00 0.00 O ATOM 1004 CB GLU A 64 8.583 -10.715 2.719 1.00 0.00 C ATOM 1005 CG GLU A 64 9.028 -11.115 1.311 1.00 0.00 C ATOM 1006 CD GLU A 64 10.423 -10.585 0.998 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.507 -9.661 0.159 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.385 -11.144 1.567 1.00 0.00 O ATOM 0 H GLU A 64 9.161 -8.045 1.407 1.00 0.00 H new ATOM 0 HA GLU A 64 7.307 -9.162 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.411 -10.831 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.784 -11.374 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.021 -12.201 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.318 -10.729 0.580 1.00 0.00 H new ATOM 1015 N SER A 65 7.308 -7.567 4.278 1.00 0.00 N ATOM 1016 CA SER A 65 6.716 -7.078 5.509 1.00 0.00 C ATOM 1017 C SER A 65 5.243 -6.751 5.286 1.00 0.00 C ATOM 1018 O SER A 65 4.780 -6.706 4.148 1.00 0.00 O ATOM 1019 CB SER A 65 7.485 -5.849 5.986 1.00 0.00 C ATOM 1020 OG SER A 65 7.410 -5.761 7.392 1.00 0.00 O ATOM 0 H SER A 65 7.559 -6.837 3.612 1.00 0.00 H new ATOM 0 HA SER A 65 6.777 -7.848 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.526 -5.914 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.070 -4.949 5.532 1.00 0.00 H new ATOM 0 HG SER A 65 7.906 -4.973 7.697 1.00 0.00 H new ATOM 1026 N THR A 66 4.510 -6.515 6.377 1.00 0.00 N ATOM 1027 CA THR A 66 3.083 -6.257 6.312 1.00 0.00 C ATOM 1028 C THR A 66 2.798 -4.768 6.475 1.00 0.00 C ATOM 1029 O THR A 66 3.361 -4.117 7.351 1.00 0.00 O ATOM 1030 CB THR A 66 2.375 -7.068 7.396 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.736 -8.426 7.275 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.859 -6.928 7.259 1.00 0.00 C ATOM 0 H THR A 66 4.893 -6.499 7.322 1.00 0.00 H new ATOM 0 HA THR A 66 2.706 -6.561 5.336 1.00 0.00 H new ATOM 0 HB THR A 66 2.676 -6.692 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.284 -8.948 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.368 -7.511 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.580 -5.879 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.547 -7.294 6.281 1.00 0.00 H new ATOM 1040 N LEU A 67 1.898 -4.241 5.639 1.00 0.00 N ATOM 1041 CA LEU A 67 1.475 -2.853 5.713 1.00 0.00 C ATOM 1042 C LEU A 67 0.002 -2.792 6.103 1.00 0.00 C ATOM 1043 O LEU A 67 -0.655 -3.823 6.228 1.00 0.00 O ATOM 1044 CB LEU A 67 1.710 -2.167 4.366 1.00 0.00 C ATOM 1045 CG LEU A 67 3.075 -1.475 4.349 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.204 -2.501 4.265 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.149 -0.557 3.131 1.00 0.00 C ATOM 0 H LEU A 67 1.446 -4.771 4.894 1.00 0.00 H new ATOM 0 HA LEU A 67 2.059 -2.330 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.658 -2.902 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.923 -1.436 4.181 1.00 0.00 H new ATOM 0 HG LEU A 67 3.189 -0.903 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.164 -1.985 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.158 -3.164 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.096 -3.086 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.118 -0.059 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.024 -1.147 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.358 0.191 3.190 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.510 -1.573 6.291 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.883 -1.347 6.705 1.00 0.00 C ATOM 1061 C HIS A 68 -2.611 -0.547 5.632 1.00 0.00 C ATOM 1062 O HIS A 68 -2.115 0.480 5.176 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.883 -0.613 8.047 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.252 -0.169 8.487 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.445 -0.746 8.133 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.522 0.891 9.305 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.425 -0.037 8.725 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -4.911 0.973 9.456 1.00 0.00 N ATOM 0 H HIS A 68 0.025 -0.715 6.158 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.406 -2.295 6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.459 -1.266 8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.232 0.259 7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.793 1.549 9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.480 -0.249 8.628 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.429 1.657 10.007 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.778 -1.043 5.213 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.554 -0.453 4.136 1.00 0.00 C ATOM 1078 C LEU A 69 -5.984 -0.216 4.615 1.00 0.00 C ATOM 1079 O LEU A 69 -6.696 -1.169 4.926 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.533 -1.429 2.956 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.205 -0.841 1.717 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.229 0.077 0.985 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.616 -1.972 0.779 1.00 0.00 C ATOM 0 H LEU A 69 -4.209 -1.873 5.620 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.135 0.505 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.502 -1.690 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.039 -2.352 3.240 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.083 -0.272 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.714 0.494 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.924 0.887 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.351 -0.493 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.096 -1.554 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.733 -2.536 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.314 -2.634 1.292 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.408 1.050 4.669 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.752 1.397 5.101 1.00 0.00 C ATOM 1097 C ALA A 70 -8.550 1.882 3.898 1.00 0.00 C ATOM 1098 O ALA A 70 -8.030 2.629 3.073 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.671 2.489 6.166 1.00 0.00 C ATOM 0 H ALA A 70 -5.830 1.852 4.416 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.249 0.526 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.677 2.753 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.096 2.125 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.183 3.369 5.748 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.820 1.475 3.802 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.631 1.800 2.641 1.00 0.00 C ATOM 1107 C LEU A 71 -11.852 2.612 3.054 1.00 0.00 C ATOM 1108 O LEU A 71 -12.139 2.763 4.239 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.080 0.511 1.940 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.932 -0.227 1.241 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.103 0.736 0.393 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.031 -0.949 2.242 1.00 0.00 C ATOM 0 H LEU A 71 -10.300 0.924 4.514 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.030 2.395 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.538 -0.153 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.848 0.753 1.206 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.382 -0.976 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.295 0.189 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.739 1.193 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.683 1.513 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.230 -1.460 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.602 -0.224 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.618 -1.679 2.800 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.588 3.101 2.054 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.808 3.859 2.258 1.00 0.00 C ATOM 1126 C ARG A 72 -14.926 2.941 2.735 1.00 0.00 C ATOM 1127 O ARG A 72 -14.797 1.719 2.682 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.209 4.517 0.936 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.409 3.442 -0.137 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.868 4.078 -1.447 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.241 4.575 -1.347 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.932 5.045 -2.396 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.359 5.107 -3.605 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.197 5.450 -2.234 1.00 0.00 N ATOM 0 H ARG A 72 -12.344 2.976 1.071 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.638 4.622 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.128 5.089 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.438 5.220 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.477 2.899 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.148 2.715 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.200 4.899 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.802 3.346 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.695 4.563 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.395 4.796 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.886 5.465 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.634 5.401 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.724 5.808 -3.031 1.00 0.00 H new