USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= -0.0194 (180deg=-0.243) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0509) USER MOD Single : A 31 ASN : amide:sc= 0.2 X(o=0.2,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 112:sc= -0.646 USER MOD Single : A 39 SER OG : rot 180:sc= -0.775 USER MOD Single : A 41 GLN : amide:sc= -4.56! C(o=-4.6!,f=-17!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0983) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -158:sc= -0.106 (180deg=-0.778) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 71 SER OG : rot 150:sc= 0.462 USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 16 0.471 4.079 -12.339 1.00 0.00 N ATOM 39 CA LEU A 16 1.915 4.202 -12.252 1.00 0.00 C ATOM 40 C LEU A 16 2.611 3.116 -13.061 1.00 0.00 C ATOM 41 O LEU A 16 1.965 2.258 -13.660 1.00 0.00 O ATOM 42 CB LEU A 16 2.358 4.112 -10.794 1.00 0.00 C ATOM 43 CG LEU A 16 2.123 5.449 -10.088 1.00 0.00 C ATOM 44 CD1 LEU A 16 2.525 5.314 -8.625 1.00 0.00 C ATOM 45 CD2 LEU A 16 2.977 6.545 -10.729 1.00 0.00 C ATOM 0 HA LEU A 16 2.195 5.172 -12.664 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.805 3.322 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.414 3.846 -10.743 1.00 0.00 H new ATOM 0 HG LEU A 16 1.069 5.715 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.361 6.262 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.923 4.538 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.579 5.045 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.800 7.491 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.031 6.280 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.709 6.646 -11.781 1.00 0.00 H new ATOM 57 N THR A 17 3.939 3.175 -13.078 1.00 0.00 N ATOM 58 CA THR A 17 4.733 2.202 -13.819 1.00 0.00 C ATOM 59 C THR A 17 4.775 0.872 -13.081 1.00 0.00 C ATOM 60 O THR A 17 3.860 0.536 -12.330 1.00 0.00 O ATOM 61 CB THR A 17 6.158 2.728 -14.024 1.00 0.00 C ATOM 62 OG1 THR A 17 6.813 2.828 -12.767 1.00 0.00 O ATOM 63 CG2 THR A 17 6.111 4.106 -14.691 1.00 0.00 C ATOM 0 H THR A 17 4.486 3.884 -12.589 1.00 0.00 H new ATOM 0 HA THR A 17 4.266 2.048 -14.792 1.00 0.00 H new ATOM 0 HB THR A 17 6.707 2.039 -14.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.725 3.163 -12.899 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.126 4.476 -14.835 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.614 4.026 -15.658 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.559 4.799 -14.056 1.00 0.00 H new ATOM 71 N GLN A 18 5.842 0.117 -13.305 1.00 0.00 N ATOM 72 CA GLN A 18 5.993 -1.177 -12.658 1.00 0.00 C ATOM 73 C GLN A 18 5.983 -1.017 -11.144 1.00 0.00 C ATOM 74 O GLN A 18 5.558 -1.916 -10.419 1.00 0.00 O ATOM 75 CB GLN A 18 7.306 -1.832 -13.095 1.00 0.00 C ATOM 76 CG GLN A 18 8.488 -0.996 -12.595 1.00 0.00 C ATOM 77 CD GLN A 18 9.800 -1.599 -13.085 1.00 0.00 C ATOM 78 OE1 GLN A 18 9.799 -2.440 -13.984 1.00 0.00 O ATOM 79 NE2 GLN A 18 10.926 -1.210 -12.551 1.00 0.00 N ATOM 0 H GLN A 18 6.609 0.376 -13.925 1.00 0.00 H new ATOM 0 HA GLN A 18 5.157 -1.811 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.369 -2.845 -12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.339 -1.914 -14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.395 0.030 -12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.481 -0.957 -11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.923 -0.513 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.808 -1.603 -12.879 1.00 0.00 H new ATOM 88 N GLY A 19 6.456 0.132 -10.670 1.00 0.00 N ATOM 89 CA GLY A 19 6.495 0.386 -9.239 1.00 0.00 C ATOM 90 C GLY A 19 6.999 1.793 -8.943 1.00 0.00 C ATOM 91 O GLY A 19 7.872 1.981 -8.101 1.00 0.00 O ATOM 0 H GLY A 19 6.813 0.892 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.498 0.258 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.143 -0.345 -8.755 1.00 0.00 H new ATOM 95 N GLU A 20 6.443 2.778 -9.641 1.00 0.00 N ATOM 96 CA GLU A 20 6.842 4.159 -9.445 1.00 0.00 C ATOM 97 C GLU A 20 6.675 4.560 -7.988 1.00 0.00 C ATOM 98 O GLU A 20 7.237 5.558 -7.542 1.00 0.00 O ATOM 99 CB GLU A 20 5.995 5.067 -10.329 1.00 0.00 C ATOM 100 CG GLU A 20 6.907 6.006 -11.105 1.00 0.00 C ATOM 101 CD GLU A 20 6.085 6.871 -12.052 1.00 0.00 C ATOM 102 OE1 GLU A 20 6.123 6.610 -13.244 1.00 0.00 O ATOM 103 OE2 GLU A 20 5.429 7.781 -11.573 1.00 0.00 O ATOM 0 H GLU A 20 5.717 2.642 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 20 7.893 4.262 -9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.398 4.469 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.298 5.641 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.464 6.638 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.639 5.429 -11.670 1.00 0.00 H new ATOM 110 N LEU A 21 5.902 3.780 -7.247 1.00 0.00 N ATOM 111 CA LEU A 21 5.680 4.072 -5.841 1.00 0.00 C ATOM 112 C LEU A 21 6.324 3.005 -4.950 1.00 0.00 C ATOM 113 O LEU A 21 6.656 3.270 -3.793 1.00 0.00 O ATOM 114 CB LEU A 21 4.180 4.165 -5.552 1.00 0.00 C ATOM 115 CG LEU A 21 3.548 2.771 -5.620 1.00 0.00 C ATOM 116 CD1 LEU A 21 3.204 2.269 -4.211 1.00 0.00 C ATOM 117 CD2 LEU A 21 2.268 2.836 -6.445 1.00 0.00 C ATOM 0 H LEU A 21 5.423 2.948 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 21 6.146 5.031 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.017 4.600 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.702 4.826 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 21 4.261 2.087 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.756 1.278 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.113 2.217 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.499 2.955 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.817 1.845 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.569 3.530 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.502 3.179 -7.453 1.00 0.00 H new ATOM 129 N MET A 22 6.491 1.802 -5.503 1.00 0.00 N ATOM 130 CA MET A 22 7.081 0.685 -4.761 1.00 0.00 C ATOM 131 C MET A 22 8.525 0.966 -4.381 1.00 0.00 C ATOM 132 O MET A 22 8.926 0.757 -3.236 1.00 0.00 O ATOM 133 CB MET A 22 6.986 -0.599 -5.620 1.00 0.00 C ATOM 134 CG MET A 22 8.375 -1.217 -5.817 1.00 0.00 C ATOM 135 SD MET A 22 8.242 -2.817 -6.647 1.00 0.00 S ATOM 136 CE MET A 22 10.023 -3.100 -6.828 1.00 0.00 C ATOM 0 H MET A 22 6.226 1.576 -6.462 1.00 0.00 H new ATOM 0 HA MET A 22 6.525 0.550 -3.833 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.326 -1.319 -5.136 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.545 -0.364 -6.589 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.998 -0.545 -6.407 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.865 -1.341 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.191 -4.054 -7.328 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.460 -2.297 -7.422 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.490 -3.119 -5.843 1.00 0.00 H new ATOM 146 N LYS A 23 9.303 1.413 -5.342 1.00 0.00 N ATOM 147 CA LYS A 23 10.708 1.690 -5.093 1.00 0.00 C ATOM 148 C LYS A 23 10.881 3.098 -4.549 1.00 0.00 C ATOM 149 O LYS A 23 11.989 3.635 -4.523 1.00 0.00 O ATOM 150 CB LYS A 23 11.512 1.503 -6.384 1.00 0.00 C ATOM 151 CG LYS A 23 10.883 2.312 -7.525 1.00 0.00 C ATOM 152 CD LYS A 23 10.845 1.468 -8.800 1.00 0.00 C ATOM 153 CE LYS A 23 10.584 2.379 -9.999 1.00 0.00 C ATOM 154 NZ LYS A 23 11.827 3.130 -10.329 1.00 0.00 N ATOM 0 H LYS A 23 8.994 1.593 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 23 11.082 0.990 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.543 1.822 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.542 0.447 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.874 2.619 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.458 3.222 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.790 0.939 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.064 0.711 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.265 1.787 -10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.775 3.074 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.773 3.478 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.928 3.937 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.649 2.501 -10.230 1.00 0.00 H new ATOM 168 N LEU A 24 9.775 3.695 -4.119 1.00 0.00 N ATOM 169 CA LEU A 24 9.814 5.043 -3.581 1.00 0.00 C ATOM 170 C LEU A 24 9.482 5.046 -2.103 1.00 0.00 C ATOM 171 O LEU A 24 10.048 5.820 -1.337 1.00 0.00 O ATOM 172 CB LEU A 24 8.799 5.926 -4.294 1.00 0.00 C ATOM 173 CG LEU A 24 9.316 6.334 -5.678 1.00 0.00 C ATOM 174 CD1 LEU A 24 10.597 7.155 -5.530 1.00 0.00 C ATOM 175 CD2 LEU A 24 9.613 5.088 -6.507 1.00 0.00 C ATOM 0 H LEU A 24 8.849 3.268 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 24 10.823 5.426 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.854 5.393 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.601 6.816 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 24 8.554 6.932 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.961 7.443 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.390 8.051 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.355 6.558 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.980 5.384 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.370 4.487 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.701 4.501 -6.622 1.00 0.00 H new ATOM 187 N ILE A 25 8.548 4.189 -1.707 1.00 0.00 N ATOM 188 CA ILE A 25 8.148 4.145 -0.310 1.00 0.00 C ATOM 189 C ILE A 25 9.348 3.888 0.593 1.00 0.00 C ATOM 190 O ILE A 25 9.547 4.581 1.588 1.00 0.00 O ATOM 191 CB ILE A 25 7.099 3.046 -0.094 1.00 0.00 C ATOM 192 CG1 ILE A 25 7.414 1.839 -0.981 1.00 0.00 C ATOM 193 CG2 ILE A 25 5.713 3.577 -0.456 1.00 0.00 C ATOM 194 CD1 ILE A 25 6.718 0.600 -0.418 1.00 0.00 C ATOM 0 H ILE A 25 8.065 3.531 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 25 7.718 5.113 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 25 7.119 2.745 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.079 2.026 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.491 1.677 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.971 2.793 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.475 4.432 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.703 3.885 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.941 -0.261 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.075 0.411 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.641 0.765 -0.398 1.00 0.00 H new ATOM 206 N LYS A 26 10.146 2.897 0.240 1.00 0.00 N ATOM 207 CA LYS A 26 11.321 2.559 1.038 1.00 0.00 C ATOM 208 C LYS A 26 12.485 3.503 0.751 1.00 0.00 C ATOM 209 O LYS A 26 13.305 3.782 1.621 1.00 0.00 O ATOM 210 CB LYS A 26 11.759 1.119 0.747 1.00 0.00 C ATOM 211 CG LYS A 26 11.325 0.710 -0.668 1.00 0.00 C ATOM 212 CD LYS A 26 12.341 -0.267 -1.249 1.00 0.00 C ATOM 213 CE LYS A 26 12.310 -1.560 -0.445 1.00 0.00 C ATOM 214 NZ LYS A 26 13.048 -2.615 -1.189 1.00 0.00 N ATOM 0 H LYS A 26 10.008 2.314 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 26 11.044 2.660 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.841 1.034 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.320 0.442 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.338 0.249 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.247 1.591 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.111 -0.470 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.340 0.169 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.763 -1.404 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.280 -1.872 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.944 -3.525 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.661 -2.697 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.056 -2.362 -1.242 1.00 0.00 H new ATOM 228 N GLU A 27 12.553 3.975 -0.478 1.00 0.00 N ATOM 229 CA GLU A 27 13.617 4.873 -0.897 1.00 0.00 C ATOM 230 C GLU A 27 13.455 6.239 -0.254 1.00 0.00 C ATOM 231 O GLU A 27 14.437 6.866 0.132 1.00 0.00 O ATOM 232 CB GLU A 27 13.608 5.025 -2.417 1.00 0.00 C ATOM 233 CG GLU A 27 14.843 5.805 -2.865 1.00 0.00 C ATOM 234 CD GLU A 27 14.886 5.884 -4.387 1.00 0.00 C ATOM 235 OE1 GLU A 27 15.639 6.697 -4.897 1.00 0.00 O ATOM 236 OE2 GLU A 27 14.166 5.129 -5.021 1.00 0.00 O ATOM 0 H GLU A 27 11.880 3.751 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 27 14.567 4.444 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.595 4.043 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.704 5.544 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.823 6.809 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.745 5.320 -2.492 1.00 0.00 H new ATOM 243 N ILE A 28 12.210 6.697 -0.149 1.00 0.00 N ATOM 244 CA ILE A 28 11.939 7.998 0.442 1.00 0.00 C ATOM 245 C ILE A 28 11.876 7.883 1.957 1.00 0.00 C ATOM 246 O ILE A 28 12.341 8.766 2.674 1.00 0.00 O ATOM 247 CB ILE A 28 10.626 8.572 -0.105 1.00 0.00 C ATOM 248 CG1 ILE A 28 9.443 7.706 0.339 1.00 0.00 C ATOM 249 CG2 ILE A 28 10.680 8.600 -1.634 1.00 0.00 C ATOM 250 CD1 ILE A 28 8.685 8.409 1.464 1.00 0.00 C ATOM 0 H ILE A 28 11.382 6.190 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 28 12.749 8.677 0.176 1.00 0.00 H new ATOM 0 HB ILE A 28 10.495 9.583 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.776 7.524 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.799 6.734 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.747 9.008 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.512 9.225 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.819 7.587 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.844 7.791 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.354 8.568 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.315 9.371 1.108 1.00 0.00 H new ATOM 262 N VAL A 29 11.311 6.786 2.440 1.00 0.00 N ATOM 263 CA VAL A 29 11.212 6.566 3.868 1.00 0.00 C ATOM 264 C VAL A 29 12.596 6.380 4.475 1.00 0.00 C ATOM 265 O VAL A 29 12.845 6.784 5.610 1.00 0.00 O ATOM 266 CB VAL A 29 10.356 5.335 4.150 1.00 0.00 C ATOM 267 CG1 VAL A 29 10.455 4.989 5.631 1.00 0.00 C ATOM 268 CG2 VAL A 29 8.900 5.635 3.788 1.00 0.00 C ATOM 0 H VAL A 29 10.918 6.041 1.865 1.00 0.00 H new ATOM 0 HA VAL A 29 10.744 7.440 4.321 1.00 0.00 H new ATOM 0 HB VAL A 29 10.709 4.494 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.846 4.110 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.494 4.780 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.097 5.829 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.287 4.757 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.541 6.472 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.833 5.890 2.730 1.00 0.00 H new ATOM 278 N GLU A 30 13.492 5.751 3.716 1.00 0.00 N ATOM 279 CA GLU A 30 14.845 5.509 4.210 1.00 0.00 C ATOM 280 C GLU A 30 15.726 6.730 3.996 1.00 0.00 C ATOM 281 O GLU A 30 16.879 6.761 4.422 1.00 0.00 O ATOM 282 CB GLU A 30 15.457 4.298 3.503 1.00 0.00 C ATOM 283 CG GLU A 30 14.731 3.027 3.949 1.00 0.00 C ATOM 284 CD GLU A 30 15.256 1.826 3.169 1.00 0.00 C ATOM 285 OE1 GLU A 30 16.155 2.013 2.368 1.00 0.00 O ATOM 286 OE2 GLU A 30 14.750 0.737 3.384 1.00 0.00 O ATOM 0 H GLU A 30 13.310 5.405 2.774 1.00 0.00 H new ATOM 0 HA GLU A 30 14.785 5.308 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.377 4.415 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.519 4.225 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.878 2.870 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.658 3.135 3.788 1.00 0.00 H new ATOM 293 N ASN A 31 15.177 7.733 3.328 1.00 0.00 N ATOM 294 CA ASN A 31 15.920 8.950 3.056 1.00 0.00 C ATOM 295 C ASN A 31 15.476 10.084 3.974 1.00 0.00 C ATOM 296 O ASN A 31 16.128 11.126 4.050 1.00 0.00 O ATOM 297 CB ASN A 31 15.703 9.350 1.604 1.00 0.00 C ATOM 298 CG ASN A 31 16.963 9.082 0.787 1.00 0.00 C ATOM 299 OD1 ASN A 31 18.058 9.480 1.188 1.00 0.00 O ATOM 300 ND2 ASN A 31 16.878 8.433 -0.341 1.00 0.00 N ATOM 0 H ASN A 31 14.223 7.727 2.966 1.00 0.00 H new ATOM 0 HA ASN A 31 16.978 8.762 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.865 8.791 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.442 10.407 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 31 17.718 8.255 -0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.971 8.104 -0.673 1.00 0.00 H new ATOM 307 N GLU A 32 14.362 9.876 4.663 1.00 0.00 N ATOM 308 CA GLU A 32 13.834 10.886 5.568 1.00 0.00 C ATOM 309 C GLU A 32 14.275 10.616 6.995 1.00 0.00 C ATOM 310 O GLU A 32 15.445 10.789 7.337 1.00 0.00 O ATOM 311 CB GLU A 32 12.312 10.884 5.493 1.00 0.00 C ATOM 312 CG GLU A 32 11.847 11.439 4.145 1.00 0.00 C ATOM 313 CD GLU A 32 12.137 12.935 4.059 1.00 0.00 C ATOM 314 OE1 GLU A 32 12.275 13.553 5.104 1.00 0.00 O ATOM 315 OE2 GLU A 32 12.214 13.442 2.953 1.00 0.00 O ATOM 0 H GLU A 32 13.809 9.020 4.613 1.00 0.00 H new ATOM 0 HA GLU A 32 14.219 11.860 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.936 9.870 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.900 11.485 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.355 10.916 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.779 11.261 4.020 1.00 0.00 H new ATOM 322 N ASP A 33 13.333 10.188 7.826 1.00 0.00 N ATOM 323 CA ASP A 33 13.647 9.897 9.214 1.00 0.00 C ATOM 324 C ASP A 33 13.498 8.410 9.495 1.00 0.00 C ATOM 325 O ASP A 33 12.393 7.913 9.715 1.00 0.00 O ATOM 326 CB ASP A 33 12.724 10.688 10.140 1.00 0.00 C ATOM 327 CG ASP A 33 13.082 12.170 10.093 1.00 0.00 C ATOM 328 OD1 ASP A 33 12.343 12.956 10.664 1.00 0.00 O ATOM 329 OD2 ASP A 33 14.091 12.497 9.491 1.00 0.00 O ATOM 0 H ASP A 33 12.358 10.037 7.565 1.00 0.00 H new ATOM 0 HA ASP A 33 14.680 10.190 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.686 10.547 9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.814 10.316 11.161 1.00 0.00 H new ATOM 334 N LYS A 34 14.622 7.709 9.494 1.00 0.00 N ATOM 335 CA LYS A 34 14.619 6.275 9.759 1.00 0.00 C ATOM 336 C LYS A 34 14.116 5.996 11.171 1.00 0.00 C ATOM 337 O LYS A 34 13.416 5.012 11.409 1.00 0.00 O ATOM 338 CB LYS A 34 16.024 5.698 9.598 1.00 0.00 C ATOM 339 CG LYS A 34 16.432 5.749 8.126 1.00 0.00 C ATOM 340 CD LYS A 34 17.828 5.148 7.963 1.00 0.00 C ATOM 341 CE LYS A 34 18.239 5.211 6.492 1.00 0.00 C ATOM 342 NZ LYS A 34 19.597 4.620 6.328 1.00 0.00 N ATOM 0 H LYS A 34 15.544 8.106 9.314 1.00 0.00 H new ATOM 0 HA LYS A 34 13.952 5.799 9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.732 6.265 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.049 4.669 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.714 5.197 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.424 6.780 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.545 5.694 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.834 4.115 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.519 4.669 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.237 6.245 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.876 4.663 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.280 5.155 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.584 3.628 6.641 1.00 0.00 H new ATOM 356 N ARG A 35 14.485 6.866 12.106 1.00 0.00 N ATOM 357 CA ARG A 35 14.076 6.703 13.492 1.00 0.00 C ATOM 358 C ARG A 35 12.584 6.968 13.648 1.00 0.00 C ATOM 359 O ARG A 35 12.044 6.868 14.749 1.00 0.00 O ATOM 360 CB ARG A 35 14.852 7.674 14.380 1.00 0.00 C ATOM 361 CG ARG A 35 14.617 9.107 13.900 1.00 0.00 C ATOM 362 CD ARG A 35 15.962 9.759 13.590 1.00 0.00 C ATOM 363 NE ARG A 35 15.771 11.141 13.166 1.00 0.00 N ATOM 364 CZ ARG A 35 16.795 11.878 12.748 1.00 0.00 C ATOM 365 NH1 ARG A 35 17.998 11.372 12.729 1.00 0.00 N ATOM 366 NH2 ARG A 35 16.599 13.109 12.360 1.00 0.00 N ATOM 0 H ARG A 35 15.064 7.687 11.928 1.00 0.00 H new ATOM 0 HA ARG A 35 14.288 5.677 13.792 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.532 7.570 15.417 1.00 0.00 H new ATOM 0 HB3 ARG A 35 15.916 7.439 14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.986 9.107 13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 35 14.090 9.678 14.665 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.601 9.728 14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.473 9.199 12.807 1.00 0.00 H new ATOM 0 HE ARG A 35 14.836 11.549 13.191 1.00 0.00 H new ATOM 0 HH11 ARG A 35 18.152 10.411 13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.784 11.937 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.660 13.506 12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.385 13.674 12.039 1.00 0.00 H new ATOM 380 N LYS A 36 11.919 7.327 12.547 1.00 0.00 N ATOM 381 CA LYS A 36 10.491 7.627 12.589 1.00 0.00 C ATOM 382 C LYS A 36 9.854 7.288 11.254 1.00 0.00 C ATOM 383 O LYS A 36 9.560 8.169 10.446 1.00 0.00 O ATOM 384 CB LYS A 36 10.240 9.119 12.886 1.00 0.00 C ATOM 385 CG LYS A 36 10.964 9.572 14.165 1.00 0.00 C ATOM 386 CD LYS A 36 10.250 9.024 15.407 1.00 0.00 C ATOM 387 CE LYS A 36 11.079 9.331 16.654 1.00 0.00 C ATOM 388 NZ LYS A 36 10.460 10.476 17.379 1.00 0.00 N ATOM 0 H LYS A 36 12.345 7.416 11.624 1.00 0.00 H new ATOM 0 HA LYS A 36 10.051 7.027 13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.580 9.720 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.169 9.294 12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.997 9.224 14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.995 10.661 14.207 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.260 9.472 15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.105 7.948 15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.123 8.455 17.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.104 9.573 16.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.019 10.691 18.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.440 11.310 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.489 10.227 17.656 1.00 0.00 H new ATOM 402 N PRO A 37 9.645 6.033 11.012 1.00 0.00 N ATOM 403 CA PRO A 37 9.038 5.544 9.752 1.00 0.00 C ATOM 404 C PRO A 37 7.609 6.038 9.556 1.00 0.00 C ATOM 405 O PRO A 37 6.905 6.347 10.518 1.00 0.00 O ATOM 406 CB PRO A 37 9.073 4.027 9.870 1.00 0.00 C ATOM 407 CG PRO A 37 10.008 3.730 10.979 1.00 0.00 C ATOM 408 CD PRO A 37 9.964 4.929 11.913 1.00 0.00 C ATOM 0 HA PRO A 37 9.585 5.915 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.080 3.628 10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.412 3.570 8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.713 2.820 11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.018 3.568 10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.208 4.809 12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.917 5.083 12.418 1.00 0.00 H new ATOM 416 N TYR A 38 7.192 6.110 8.302 1.00 0.00 N ATOM 417 CA TYR A 38 5.850 6.567 7.974 1.00 0.00 C ATOM 418 C TYR A 38 4.876 5.392 7.989 1.00 0.00 C ATOM 419 O TYR A 38 5.255 4.261 8.298 1.00 0.00 O ATOM 420 CB TYR A 38 5.847 7.219 6.589 1.00 0.00 C ATOM 421 CG TYR A 38 6.838 8.362 6.563 1.00 0.00 C ATOM 422 CD1 TYR A 38 6.384 9.686 6.536 1.00 0.00 C ATOM 423 CD2 TYR A 38 8.212 8.094 6.573 1.00 0.00 C ATOM 424 CE1 TYR A 38 7.308 10.741 6.515 1.00 0.00 C ATOM 425 CE2 TYR A 38 9.132 9.142 6.550 1.00 0.00 C ATOM 426 CZ TYR A 38 8.682 10.468 6.522 1.00 0.00 C ATOM 427 OH TYR A 38 9.593 11.507 6.503 1.00 0.00 O ATOM 0 H TYR A 38 7.763 5.858 7.495 1.00 0.00 H new ATOM 0 HA TYR A 38 5.536 7.299 8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.106 6.482 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.848 7.585 6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.324 9.895 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.561 7.072 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.960 11.763 6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.191 8.931 6.554 1.00 0.00 H new ATOM 0 HH TYR A 38 10.067 11.542 7.360 1.00 0.00 H new ATOM 437 N SER A 39 3.624 5.669 7.646 1.00 0.00 N ATOM 438 CA SER A 39 2.596 4.633 7.610 1.00 0.00 C ATOM 439 C SER A 39 1.825 4.722 6.303 1.00 0.00 C ATOM 440 O SER A 39 1.552 5.822 5.825 1.00 0.00 O ATOM 441 CB SER A 39 1.637 4.789 8.789 1.00 0.00 C ATOM 442 OG SER A 39 0.353 4.310 8.410 1.00 0.00 O ATOM 0 H SER A 39 3.295 6.600 7.389 1.00 0.00 H new ATOM 0 HA SER A 39 3.079 3.658 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.007 4.233 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.575 5.835 9.088 1.00 0.00 H new ATOM 0 HG SER A 39 -0.267 4.406 9.163 1.00 0.00 H new ATOM 448 N ASP A 40 1.494 3.558 5.733 1.00 0.00 N ATOM 449 CA ASP A 40 0.774 3.491 4.468 1.00 0.00 C ATOM 450 C ASP A 40 0.008 4.781 4.194 1.00 0.00 C ATOM 451 O ASP A 40 0.086 5.341 3.105 1.00 0.00 O ATOM 452 CB ASP A 40 -0.190 2.304 4.483 1.00 0.00 C ATOM 453 CG ASP A 40 -1.134 2.406 5.676 1.00 0.00 C ATOM 454 OD1 ASP A 40 -0.927 3.286 6.496 1.00 0.00 O ATOM 455 OD2 ASP A 40 -2.048 1.602 5.754 1.00 0.00 O ATOM 0 H ASP A 40 1.717 2.648 6.135 1.00 0.00 H new ATOM 0 HA ASP A 40 1.504 3.359 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.764 2.281 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.371 1.371 4.533 1.00 0.00 H new ATOM 460 N GLN A 41 -0.730 5.252 5.186 1.00 0.00 N ATOM 461 CA GLN A 41 -1.503 6.477 5.038 1.00 0.00 C ATOM 462 C GLN A 41 -0.606 7.679 4.777 1.00 0.00 C ATOM 463 O GLN A 41 -0.813 8.424 3.817 1.00 0.00 O ATOM 464 CB GLN A 41 -2.313 6.714 6.313 1.00 0.00 C ATOM 465 CG GLN A 41 -2.848 8.145 6.319 1.00 0.00 C ATOM 466 CD GLN A 41 -3.501 8.456 4.978 1.00 0.00 C ATOM 467 OE1 GLN A 41 -4.528 7.876 4.637 1.00 0.00 O ATOM 468 NE2 GLN A 41 -2.954 9.341 4.190 1.00 0.00 N ATOM 0 H GLN A 41 -0.811 4.807 6.100 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.166 6.361 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.139 6.005 6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.688 6.544 7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.572 8.269 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.036 8.846 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.101 9.821 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.380 9.553 3.288 1.00 0.00 H new ATOM 477 N GLU A 42 0.381 7.876 5.636 1.00 0.00 N ATOM 478 CA GLU A 42 1.273 9.003 5.482 1.00 0.00 C ATOM 479 C GLU A 42 2.064 8.916 4.188 1.00 0.00 C ATOM 480 O GLU A 42 2.118 9.875 3.426 1.00 0.00 O ATOM 481 CB GLU A 42 2.243 9.053 6.660 1.00 0.00 C ATOM 482 CG GLU A 42 1.557 9.621 7.907 1.00 0.00 C ATOM 483 CD GLU A 42 0.659 8.567 8.545 1.00 0.00 C ATOM 484 OE1 GLU A 42 0.119 8.842 9.604 1.00 0.00 O ATOM 485 OE2 GLU A 42 0.515 7.507 7.961 1.00 0.00 O ATOM 0 H GLU A 42 0.580 7.276 6.436 1.00 0.00 H new ATOM 0 HA GLU A 42 0.666 9.908 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.618 8.052 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.105 9.668 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.308 9.951 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.966 10.497 7.638 1.00 0.00 H new ATOM 492 N ILE A 43 2.666 7.763 3.946 1.00 0.00 N ATOM 493 CA ILE A 43 3.463 7.566 2.737 1.00 0.00 C ATOM 494 C ILE A 43 2.621 7.862 1.517 1.00 0.00 C ATOM 495 O ILE A 43 3.077 8.497 0.577 1.00 0.00 O ATOM 496 CB ILE A 43 3.994 6.130 2.654 1.00 0.00 C ATOM 497 CG1 ILE A 43 3.514 5.348 3.870 1.00 0.00 C ATOM 498 CG2 ILE A 43 5.523 6.150 2.628 1.00 0.00 C ATOM 499 CD1 ILE A 43 4.066 3.922 3.840 1.00 0.00 C ATOM 0 H ILE A 43 2.621 6.952 4.563 1.00 0.00 H new ATOM 0 HA ILE A 43 4.313 8.247 2.775 1.00 0.00 H new ATOM 0 HB ILE A 43 3.626 5.655 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.835 5.850 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.424 5.323 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.899 5.129 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.865 6.713 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.896 6.622 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.714 3.377 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.723 3.418 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.156 3.953 3.846 1.00 0.00 H new ATOM 511 N ALA A 44 1.385 7.411 1.553 1.00 0.00 N ATOM 512 CA ALA A 44 0.472 7.646 0.439 1.00 0.00 C ATOM 513 C ALA A 44 0.172 9.132 0.316 1.00 0.00 C ATOM 514 O ALA A 44 -0.041 9.643 -0.784 1.00 0.00 O ATOM 515 CB ALA A 44 -0.832 6.868 0.630 1.00 0.00 C ATOM 0 H ALA A 44 0.986 6.884 2.330 1.00 0.00 H new ATOM 0 HA ALA A 44 0.952 7.298 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.496 7.059 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.614 5.801 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.315 7.189 1.553 1.00 0.00 H new ATOM 521 N ASN A 45 0.134 9.820 1.454 1.00 0.00 N ATOM 522 CA ASN A 45 -0.167 11.255 1.444 1.00 0.00 C ATOM 523 C ASN A 45 0.951 12.067 0.796 1.00 0.00 C ATOM 524 O ASN A 45 0.707 12.866 -0.103 1.00 0.00 O ATOM 525 CB ASN A 45 -0.387 11.752 2.870 1.00 0.00 C ATOM 526 CG ASN A 45 -0.644 13.256 2.864 1.00 0.00 C ATOM 527 OD1 ASN A 45 -1.519 13.734 2.141 1.00 0.00 O ATOM 528 ND2 ASN A 45 0.076 14.036 3.623 1.00 0.00 N ATOM 0 H ASN A 45 0.303 9.421 2.378 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.073 11.393 0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.233 11.232 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.487 11.526 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.086 15.043 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.800 13.639 4.221 1.00 0.00 H new ATOM 535 N ILE A 46 2.169 11.856 1.257 1.00 0.00 N ATOM 536 CA ILE A 46 3.319 12.570 0.719 1.00 0.00 C ATOM 537 C ILE A 46 3.532 12.198 -0.742 1.00 0.00 C ATOM 538 O ILE A 46 3.874 13.040 -1.567 1.00 0.00 O ATOM 539 CB ILE A 46 4.563 12.235 1.531 1.00 0.00 C ATOM 540 CG1 ILE A 46 4.280 12.485 3.015 1.00 0.00 C ATOM 541 CG2 ILE A 46 5.719 13.129 1.085 1.00 0.00 C ATOM 542 CD1 ILE A 46 4.696 11.261 3.824 1.00 0.00 C ATOM 0 H ILE A 46 2.391 11.197 2.003 1.00 0.00 H new ATOM 0 HA ILE A 46 3.131 13.642 0.783 1.00 0.00 H new ATOM 0 HB ILE A 46 4.828 11.189 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.826 13.364 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.220 12.690 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.609 12.889 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.921 12.962 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.453 14.174 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.495 11.438 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.130 10.393 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.761 11.077 3.683 1.00 0.00 H new ATOM 554 N LEU A 47 3.327 10.927 -1.047 1.00 0.00 N ATOM 555 CA LEU A 47 3.494 10.424 -2.404 1.00 0.00 C ATOM 556 C LEU A 47 2.535 11.111 -3.362 1.00 0.00 C ATOM 557 O LEU A 47 2.851 11.315 -4.534 1.00 0.00 O ATOM 558 CB LEU A 47 3.271 8.910 -2.428 1.00 0.00 C ATOM 559 CG LEU A 47 4.613 8.173 -2.301 1.00 0.00 C ATOM 560 CD1 LEU A 47 5.488 8.808 -1.215 1.00 0.00 C ATOM 561 CD2 LEU A 47 4.354 6.707 -1.949 1.00 0.00 C ATOM 0 H LEU A 47 3.043 10.219 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 47 4.511 10.643 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.610 8.620 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.777 8.623 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 47 5.138 8.244 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.432 8.267 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.684 9.850 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.971 8.759 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.304 6.181 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.816 6.650 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.757 6.244 -2.735 1.00 0.00 H new ATOM 573 N LYS A 48 1.370 11.469 -2.862 1.00 0.00 N ATOM 574 CA LYS A 48 0.379 12.138 -3.694 1.00 0.00 C ATOM 575 C LYS A 48 0.775 13.591 -3.932 1.00 0.00 C ATOM 576 O LYS A 48 0.174 14.278 -4.759 1.00 0.00 O ATOM 577 CB LYS A 48 -0.995 12.074 -3.019 1.00 0.00 C ATOM 578 CG LYS A 48 -1.326 13.417 -2.360 1.00 0.00 C ATOM 579 CD LYS A 48 -2.531 13.245 -1.438 1.00 0.00 C ATOM 580 CE LYS A 48 -3.797 13.080 -2.279 1.00 0.00 C ATOM 581 NZ LYS A 48 -4.994 13.205 -1.402 1.00 0.00 N ATOM 0 H LYS A 48 1.084 11.312 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 48 0.330 11.629 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.759 11.825 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.004 11.282 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.468 13.778 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.541 14.166 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.391 12.374 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.627 14.111 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.827 13.836 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.794 12.108 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.856 13.093 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.966 12.468 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.997 14.142 -0.951 1.00 0.00 H new ATOM 595 N GLU A 49 1.778 14.059 -3.195 1.00 0.00 N ATOM 596 CA GLU A 49 2.224 15.438 -3.337 1.00 0.00 C ATOM 597 C GLU A 49 3.308 15.556 -4.401 1.00 0.00 C ATOM 598 O GLU A 49 3.597 16.651 -4.884 1.00 0.00 O ATOM 599 CB GLU A 49 2.766 15.950 -2.001 1.00 0.00 C ATOM 600 CG GLU A 49 1.629 16.019 -0.981 1.00 0.00 C ATOM 601 CD GLU A 49 2.166 16.477 0.370 1.00 0.00 C ATOM 602 OE1 GLU A 49 1.379 16.565 1.299 1.00 0.00 O ATOM 603 OE2 GLU A 49 3.355 16.733 0.456 1.00 0.00 O ATOM 0 H GLU A 49 2.290 13.512 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 49 1.369 16.040 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.554 15.289 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.212 16.936 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.860 16.709 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.159 15.041 -0.882 1.00 0.00 H new ATOM 610 N LYS A 50 3.925 14.431 -4.743 1.00 0.00 N ATOM 611 CA LYS A 50 4.997 14.433 -5.727 1.00 0.00 C ATOM 612 C LYS A 50 4.432 14.192 -7.116 1.00 0.00 C ATOM 613 O LYS A 50 4.442 15.078 -7.971 1.00 0.00 O ATOM 614 CB LYS A 50 5.977 13.308 -5.404 1.00 0.00 C ATOM 615 CG LYS A 50 6.136 13.176 -3.890 1.00 0.00 C ATOM 616 CD LYS A 50 7.015 14.299 -3.338 1.00 0.00 C ATOM 617 CE LYS A 50 6.812 14.388 -1.824 1.00 0.00 C ATOM 618 NZ LYS A 50 7.931 15.163 -1.214 1.00 0.00 N ATOM 0 H LYS A 50 3.703 13.514 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 50 5.500 15.400 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.617 12.369 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.944 13.513 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.157 13.206 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.578 12.209 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.063 14.105 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.756 15.247 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.860 14.869 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.772 13.388 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.792 15.223 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.833 14.686 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.949 16.122 -1.617 1.00 0.00 H new ATOM 632 N GLY A 51 3.946 12.976 -7.333 1.00 0.00 N ATOM 633 CA GLY A 51 3.381 12.617 -8.631 1.00 0.00 C ATOM 634 C GLY A 51 3.038 11.134 -8.699 1.00 0.00 C ATOM 635 O GLY A 51 3.076 10.529 -9.771 1.00 0.00 O ATOM 0 H GLY A 51 3.930 12.229 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.484 13.208 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.092 12.864 -9.419 1.00 0.00 H new ATOM 639 N PHE A 52 2.705 10.550 -7.554 1.00 0.00 N ATOM 640 CA PHE A 52 2.360 9.135 -7.513 1.00 0.00 C ATOM 641 C PHE A 52 0.859 8.957 -7.314 1.00 0.00 C ATOM 642 O PHE A 52 0.316 7.881 -7.564 1.00 0.00 O ATOM 643 CB PHE A 52 3.100 8.466 -6.367 1.00 0.00 C ATOM 644 CG PHE A 52 4.589 8.670 -6.523 1.00 0.00 C ATOM 645 CD1 PHE A 52 5.267 9.542 -5.663 1.00 0.00 C ATOM 646 CD2 PHE A 52 5.290 7.990 -7.523 1.00 0.00 C ATOM 647 CE1 PHE A 52 6.645 9.732 -5.805 1.00 0.00 C ATOM 648 CE2 PHE A 52 6.667 8.181 -7.665 1.00 0.00 C ATOM 649 CZ PHE A 52 7.346 9.051 -6.806 1.00 0.00 C ATOM 0 H PHE A 52 2.667 11.027 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 52 2.648 8.677 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.766 8.881 -5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.871 7.401 -6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.726 10.068 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.767 7.317 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.168 10.405 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.207 7.656 -8.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.410 9.197 -6.915 1.00 0.00 H new ATOM 659 N LYS A 53 0.202 10.036 -6.886 1.00 0.00 N ATOM 660 CA LYS A 53 -1.240 10.034 -6.669 1.00 0.00 C ATOM 661 C LYS A 53 -1.722 8.644 -6.314 1.00 0.00 C ATOM 662 O LYS A 53 -2.803 8.215 -6.717 1.00 0.00 O ATOM 663 CB LYS A 53 -1.945 10.544 -7.921 1.00 0.00 C ATOM 664 CG LYS A 53 -1.126 10.170 -9.163 1.00 0.00 C ATOM 665 CD LYS A 53 -1.689 10.901 -10.371 1.00 0.00 C ATOM 666 CE LYS A 53 -1.306 12.375 -10.245 1.00 0.00 C ATOM 667 NZ LYS A 53 -0.540 12.798 -11.452 1.00 0.00 N ATOM 0 H LYS A 53 0.653 10.928 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.476 10.695 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.944 10.113 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.067 11.626 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.079 10.436 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.161 9.093 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.289 10.480 -11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.772 10.790 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.202 12.986 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.706 12.530 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.280 13.801 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.323 12.223 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.127 12.665 -12.300 1.00 0.00 H new ATOM 681 N VAL A 54 -0.899 7.947 -5.556 1.00 0.00 N ATOM 682 CA VAL A 54 -1.237 6.587 -5.144 1.00 0.00 C ATOM 683 C VAL A 54 -2.028 6.599 -3.839 1.00 0.00 C ATOM 684 O VAL A 54 -1.763 7.399 -2.943 1.00 0.00 O ATOM 685 CB VAL A 54 0.031 5.746 -4.987 1.00 0.00 C ATOM 686 CG1 VAL A 54 0.911 6.339 -3.889 1.00 0.00 C ATOM 687 CG2 VAL A 54 -0.349 4.303 -4.627 1.00 0.00 C ATOM 0 H VAL A 54 -0.001 8.289 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.859 6.140 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 54 0.583 5.748 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.813 5.737 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.186 7.360 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.363 6.344 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.556 3.705 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.906 4.296 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.967 3.881 -5.419 1.00 0.00 H new ATOM 697 N ALA A 55 -3.010 5.706 -3.758 1.00 0.00 N ATOM 698 CA ALA A 55 -3.856 5.606 -2.577 1.00 0.00 C ATOM 699 C ALA A 55 -3.242 4.664 -1.545 1.00 0.00 C ATOM 700 O ALA A 55 -2.332 3.879 -1.849 1.00 0.00 O ATOM 701 CB ALA A 55 -5.248 5.100 -2.966 1.00 0.00 C ATOM 0 H ALA A 55 -3.238 5.042 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.940 6.600 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.872 5.029 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.703 5.794 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.162 4.116 -3.427 1.00 0.00 H new ATOM 707 N ARG A 56 -3.745 4.754 -0.320 1.00 0.00 N ATOM 708 CA ARG A 56 -3.248 3.923 0.765 1.00 0.00 C ATOM 709 C ARG A 56 -3.529 2.453 0.486 1.00 0.00 C ATOM 710 O ARG A 56 -2.900 1.567 1.056 1.00 0.00 O ATOM 711 CB ARG A 56 -3.932 4.307 2.079 1.00 0.00 C ATOM 712 CG ARG A 56 -3.173 3.693 3.262 1.00 0.00 C ATOM 713 CD ARG A 56 -4.046 3.728 4.515 1.00 0.00 C ATOM 714 NE ARG A 56 -4.558 5.071 4.745 1.00 0.00 N ATOM 715 CZ ARG A 56 -5.611 5.269 5.529 1.00 0.00 C ATOM 716 NH1 ARG A 56 -6.175 4.255 6.127 1.00 0.00 N ATOM 717 NH2 ARG A 56 -6.080 6.472 5.704 1.00 0.00 N ATOM 0 H ARG A 56 -4.495 5.393 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.172 4.081 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.963 5.392 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.964 3.957 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.893 2.665 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.248 4.243 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.876 3.030 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.466 3.401 5.378 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.103 5.868 4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.807 3.314 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.984 4.404 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.638 7.264 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.889 6.621 6.307 1.00 0.00 H new ATOM 731 N ARG A 57 -4.499 2.206 -0.376 1.00 0.00 N ATOM 732 CA ARG A 57 -4.882 0.847 -0.709 1.00 0.00 C ATOM 733 C ARG A 57 -3.778 0.141 -1.476 1.00 0.00 C ATOM 734 O ARG A 57 -3.510 -1.041 -1.253 1.00 0.00 O ATOM 735 CB ARG A 57 -6.145 0.884 -1.568 1.00 0.00 C ATOM 736 CG ARG A 57 -7.321 1.452 -0.759 1.00 0.00 C ATOM 737 CD ARG A 57 -7.941 0.385 0.153 1.00 0.00 C ATOM 738 NE ARG A 57 -8.935 1.001 1.028 1.00 0.00 N ATOM 739 CZ ARG A 57 -8.620 1.389 2.263 1.00 0.00 C ATOM 740 NH1 ARG A 57 -7.397 1.259 2.699 1.00 0.00 N ATOM 741 NH2 ARG A 57 -9.532 1.913 3.039 1.00 0.00 N ATOM 0 H ARG A 57 -5.035 2.928 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.064 0.299 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.974 1.497 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.386 -0.120 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.977 2.293 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.080 1.837 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.406 -0.396 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.164 -0.093 0.750 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.887 1.137 0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.680 0.860 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.158 1.557 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.487 2.026 2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.288 2.209 3.984 1.00 0.00 H new ATOM 755 N THR A 58 -3.150 0.865 -2.387 1.00 0.00 N ATOM 756 CA THR A 58 -2.097 0.307 -3.187 1.00 0.00 C ATOM 757 C THR A 58 -0.795 0.320 -2.427 1.00 0.00 C ATOM 758 O THR A 58 -0.022 -0.637 -2.463 1.00 0.00 O ATOM 759 CB THR A 58 -1.935 1.132 -4.451 1.00 0.00 C ATOM 760 OG1 THR A 58 -3.212 1.518 -4.933 1.00 0.00 O ATOM 761 CG2 THR A 58 -1.218 0.301 -5.506 1.00 0.00 C ATOM 0 H THR A 58 -3.359 1.844 -2.584 1.00 0.00 H new ATOM 0 HA THR A 58 -2.356 -0.722 -3.437 1.00 0.00 H new ATOM 0 HB THR A 58 -1.349 2.025 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.106 2.052 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.100 0.891 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.236 0.008 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.804 -0.592 -5.726 1.00 0.00 H new ATOM 769 N VAL A 59 -0.542 1.439 -1.767 1.00 0.00 N ATOM 770 CA VAL A 59 0.690 1.593 -1.032 1.00 0.00 C ATOM 771 C VAL A 59 0.766 0.601 0.122 1.00 0.00 C ATOM 772 O VAL A 59 1.846 0.165 0.507 1.00 0.00 O ATOM 773 CB VAL A 59 0.808 3.019 -0.493 1.00 0.00 C ATOM 774 CG1 VAL A 59 0.296 3.068 0.945 1.00 0.00 C ATOM 775 CG2 VAL A 59 2.274 3.462 -0.519 1.00 0.00 C ATOM 0 H VAL A 59 -1.169 2.242 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 59 1.516 1.394 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 59 0.214 3.686 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.381 4.085 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.748 2.757 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.889 2.397 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.354 4.479 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.868 2.791 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.645 3.432 -1.543 1.00 0.00 H new ATOM 785 N ALA A 60 -0.390 0.278 0.682 1.00 0.00 N ATOM 786 CA ALA A 60 -0.465 -0.633 1.813 1.00 0.00 C ATOM 787 C ALA A 60 -0.202 -2.068 1.379 1.00 0.00 C ATOM 788 O ALA A 60 0.144 -2.924 2.193 1.00 0.00 O ATOM 789 CB ALA A 60 -1.849 -0.531 2.459 1.00 0.00 C ATOM 0 H ALA A 60 -1.293 0.635 0.369 1.00 0.00 H new ATOM 0 HA ALA A 60 0.301 -0.352 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.906 -1.214 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.016 0.490 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.612 -0.796 1.728 1.00 0.00 H new ATOM 795 N LYS A 61 -0.385 -2.325 0.095 1.00 0.00 N ATOM 796 CA LYS A 61 -0.181 -3.655 -0.448 1.00 0.00 C ATOM 797 C LYS A 61 1.206 -3.787 -1.072 1.00 0.00 C ATOM 798 O LYS A 61 1.598 -4.867 -1.513 1.00 0.00 O ATOM 799 CB LYS A 61 -1.254 -3.928 -1.499 1.00 0.00 C ATOM 800 CG LYS A 61 -2.627 -4.019 -0.822 1.00 0.00 C ATOM 801 CD LYS A 61 -3.701 -4.301 -1.877 1.00 0.00 C ATOM 802 CE LYS A 61 -5.086 -4.253 -1.227 1.00 0.00 C ATOM 803 NZ LYS A 61 -5.264 -5.431 -0.329 1.00 0.00 N ATOM 0 H LYS A 61 -0.675 -1.628 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.254 -4.383 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.257 -3.133 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.034 -4.857 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.623 -4.810 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.850 -3.088 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.639 -3.565 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.534 -5.279 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.199 -3.330 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.859 -4.250 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.257 -5.488 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.009 -6.300 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.651 -5.328 0.505 1.00 0.00 H new ATOM 817 N TYR A 62 1.935 -2.682 -1.111 1.00 0.00 N ATOM 818 CA TYR A 62 3.273 -2.677 -1.686 1.00 0.00 C ATOM 819 C TYR A 62 4.334 -2.897 -0.620 1.00 0.00 C ATOM 820 O TYR A 62 5.155 -3.804 -0.721 1.00 0.00 O ATOM 821 CB TYR A 62 3.518 -1.342 -2.386 1.00 0.00 C ATOM 822 CG TYR A 62 3.054 -1.434 -3.822 1.00 0.00 C ATOM 823 CD1 TYR A 62 1.956 -2.233 -4.170 1.00 0.00 C ATOM 824 CD2 TYR A 62 3.736 -0.725 -4.809 1.00 0.00 C ATOM 825 CE1 TYR A 62 1.554 -2.319 -5.510 1.00 0.00 C ATOM 826 CE2 TYR A 62 3.338 -0.806 -6.142 1.00 0.00 C ATOM 827 CZ TYR A 62 2.247 -1.605 -6.498 1.00 0.00 C ATOM 828 OH TYR A 62 1.858 -1.689 -7.818 1.00 0.00 O ATOM 0 H TYR A 62 1.624 -1.779 -0.753 1.00 0.00 H new ATOM 0 HA TYR A 62 3.341 -3.494 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.983 -0.545 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.578 -1.089 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.421 -2.781 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.580 -0.108 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.710 -2.936 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.872 -0.252 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 62 2.446 -1.131 -8.368 1.00 0.00 H new ATOM 838 N ARG A 63 4.318 -2.057 0.400 1.00 0.00 N ATOM 839 CA ARG A 63 5.299 -2.172 1.465 1.00 0.00 C ATOM 840 C ARG A 63 5.488 -3.637 1.844 1.00 0.00 C ATOM 841 O ARG A 63 6.579 -4.049 2.241 1.00 0.00 O ATOM 842 CB ARG A 63 4.839 -1.392 2.689 1.00 0.00 C ATOM 843 CG ARG A 63 3.613 -0.567 2.328 1.00 0.00 C ATOM 844 CD ARG A 63 3.167 0.238 3.547 1.00 0.00 C ATOM 845 NE ARG A 63 3.123 -0.618 4.731 1.00 0.00 N ATOM 846 CZ ARG A 63 2.276 -1.635 4.829 1.00 0.00 C ATOM 847 NH1 ARG A 63 1.471 -1.915 3.846 1.00 0.00 N ATOM 848 NH2 ARG A 63 2.259 -2.365 5.910 1.00 0.00 N ATOM 0 H ARG A 63 3.647 -1.298 0.513 1.00 0.00 H new ATOM 0 HA ARG A 63 6.245 -1.763 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.604 -2.077 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.639 -0.741 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.843 0.103 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.807 -1.220 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.854 1.068 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.183 0.671 3.366 1.00 0.00 H new ATOM 0 HE ARG A 63 3.761 -0.428 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.489 -1.352 2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.822 -2.698 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.896 -2.154 6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.609 -3.147 5.987 1.00 0.00 H new ATOM 862 N GLU A 64 4.418 -4.421 1.723 1.00 0.00 N ATOM 863 CA GLU A 64 4.489 -5.839 2.063 1.00 0.00 C ATOM 864 C GLU A 64 5.004 -6.657 0.878 1.00 0.00 C ATOM 865 O GLU A 64 5.557 -7.743 1.056 1.00 0.00 O ATOM 866 CB GLU A 64 3.103 -6.343 2.479 1.00 0.00 C ATOM 867 CG GLU A 64 3.209 -7.784 2.982 1.00 0.00 C ATOM 868 CD GLU A 64 1.861 -8.245 3.526 1.00 0.00 C ATOM 869 OE1 GLU A 64 1.826 -9.284 4.166 1.00 0.00 O ATOM 870 OE2 GLU A 64 0.883 -7.551 3.299 1.00 0.00 O ATOM 0 H GLU A 64 3.505 -4.104 1.397 1.00 0.00 H new ATOM 0 HA GLU A 64 5.184 -5.960 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.692 -5.704 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.418 -6.292 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.527 -8.439 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.968 -7.851 3.762 1.00 0.00 H new ATOM 877 N MET A 65 4.822 -6.126 -0.328 1.00 0.00 N ATOM 878 CA MET A 65 5.267 -6.803 -1.536 1.00 0.00 C ATOM 879 C MET A 65 6.778 -6.684 -1.691 1.00 0.00 C ATOM 880 O MET A 65 7.446 -7.624 -2.120 1.00 0.00 O ATOM 881 CB MET A 65 4.538 -6.204 -2.747 1.00 0.00 C ATOM 882 CG MET A 65 5.431 -5.189 -3.466 1.00 0.00 C ATOM 883 SD MET A 65 4.478 -4.355 -4.758 1.00 0.00 S ATOM 884 CE MET A 65 4.320 -5.769 -5.873 1.00 0.00 C ATOM 0 H MET A 65 4.368 -5.227 -0.492 1.00 0.00 H new ATOM 0 HA MET A 65 5.027 -7.864 -1.468 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.253 -6.999 -3.437 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.617 -5.720 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.816 -4.459 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.293 -5.693 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.120 -5.414 -6.884 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.247 -6.343 -5.866 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.498 -6.403 -5.542 1.00 0.00 H new ATOM 894 N LEU A 66 7.304 -5.518 -1.340 1.00 0.00 N ATOM 895 CA LEU A 66 8.734 -5.269 -1.438 1.00 0.00 C ATOM 896 C LEU A 66 9.486 -6.115 -0.428 1.00 0.00 C ATOM 897 O LEU A 66 10.154 -7.086 -0.784 1.00 0.00 O ATOM 898 CB LEU A 66 9.014 -3.787 -1.173 1.00 0.00 C ATOM 899 CG LEU A 66 8.792 -2.966 -2.465 1.00 0.00 C ATOM 900 CD1 LEU A 66 7.807 -1.819 -2.196 1.00 0.00 C ATOM 901 CD2 LEU A 66 10.120 -2.366 -2.973 1.00 0.00 C ATOM 0 H LEU A 66 6.761 -4.731 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 66 9.071 -5.533 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.359 -3.421 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.038 -3.659 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 66 8.389 -3.638 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.657 -1.246 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.853 -2.229 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.211 -1.167 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.936 -1.794 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.539 -1.710 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.824 -3.170 -3.186 1.00 0.00 H new ATOM 913 N GLY A 67 9.373 -5.740 0.835 1.00 0.00 N ATOM 914 CA GLY A 67 10.053 -6.482 1.888 1.00 0.00 C ATOM 915 C GLY A 67 9.959 -5.757 3.221 1.00 0.00 C ATOM 916 O GLY A 67 10.875 -5.827 4.040 1.00 0.00 O ATOM 0 H GLY A 67 8.827 -4.940 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.613 -7.475 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.100 -6.621 1.620 1.00 0.00 H new ATOM 920 N ILE A 68 8.849 -5.058 3.434 1.00 0.00 N ATOM 921 CA ILE A 68 8.666 -4.329 4.678 1.00 0.00 C ATOM 922 C ILE A 68 7.273 -4.595 5.260 1.00 0.00 C ATOM 923 O ILE A 68 6.275 -4.523 4.542 1.00 0.00 O ATOM 924 CB ILE A 68 8.838 -2.831 4.427 1.00 0.00 C ATOM 925 CG1 ILE A 68 10.212 -2.582 3.811 1.00 0.00 C ATOM 926 CG2 ILE A 68 8.742 -2.059 5.743 1.00 0.00 C ATOM 927 CD1 ILE A 68 10.055 -2.225 2.339 1.00 0.00 C ATOM 0 H ILE A 68 8.076 -4.983 2.772 1.00 0.00 H new ATOM 0 HA ILE A 68 9.415 -4.670 5.393 1.00 0.00 H new ATOM 0 HB ILE A 68 8.051 -2.493 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.718 -1.774 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.835 -3.470 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.866 -0.994 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.767 -2.234 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.525 -2.398 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.037 -2.048 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.567 -3.047 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.448 -1.324 2.246 1.00 0.00 H new ATOM 939 N PRO A 69 7.181 -4.885 6.540 1.00 0.00 N ATOM 940 CA PRO A 69 5.870 -5.151 7.203 1.00 0.00 C ATOM 941 C PRO A 69 5.048 -3.874 7.365 1.00 0.00 C ATOM 942 O PRO A 69 3.955 -3.752 6.812 1.00 0.00 O ATOM 943 CB PRO A 69 6.265 -5.728 8.562 1.00 0.00 C ATOM 944 CG PRO A 69 7.626 -5.184 8.842 1.00 0.00 C ATOM 945 CD PRO A 69 8.303 -4.990 7.489 1.00 0.00 C ATOM 0 HA PRO A 69 5.239 -5.823 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.557 -5.432 9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.274 -6.818 8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.562 -4.240 9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.197 -5.871 9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.921 -4.092 7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.955 -5.829 7.245 1.00 0.00 H new ATOM 953 N SER A 70 5.589 -2.922 8.121 1.00 0.00 N ATOM 954 CA SER A 70 4.906 -1.650 8.341 1.00 0.00 C ATOM 955 C SER A 70 5.911 -0.515 8.506 1.00 0.00 C ATOM 956 O SER A 70 5.540 0.618 8.816 1.00 0.00 O ATOM 957 CB SER A 70 4.032 -1.735 9.586 1.00 0.00 C ATOM 958 OG SER A 70 4.852 -1.649 10.742 1.00 0.00 O ATOM 0 H SER A 70 6.492 -3.006 8.589 1.00 0.00 H new ATOM 0 HA SER A 70 4.284 -1.445 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.299 -0.928 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.475 -2.672 9.590 1.00 0.00 H new ATOM 0 HG SER A 70 4.292 -1.702 11.545 1.00 0.00 H new ATOM 964 N SER A 71 7.183 -0.829 8.305 1.00 0.00 N ATOM 965 CA SER A 71 8.240 0.166 8.439 1.00 0.00 C ATOM 966 C SER A 71 8.464 0.522 9.902 1.00 0.00 C ATOM 967 O SER A 71 9.559 0.930 10.288 1.00 0.00 O ATOM 968 CB SER A 71 7.870 1.427 7.656 1.00 0.00 C ATOM 969 OG SER A 71 8.978 1.827 6.859 1.00 0.00 O ATOM 0 H SER A 71 7.508 -1.761 8.049 1.00 0.00 H new ATOM 0 HA SER A 71 9.161 -0.256 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.003 1.235 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.593 2.227 8.342 1.00 0.00 H new ATOM 0 HG SER A 71 8.654 2.276 6.050 1.00 0.00 H new ATOM 975 N ARG A 72 7.428 0.352 10.711 1.00 0.00 N ATOM 976 CA ARG A 72 7.519 0.641 12.130 1.00 0.00 C ATOM 977 C ARG A 72 8.395 -0.390 12.816 1.00 0.00 C ATOM 978 O ARG A 72 9.142 -0.077 13.744 1.00 0.00 O ATOM 979 CB ARG A 72 6.125 0.645 12.757 1.00 0.00 C ATOM 980 CG ARG A 72 6.233 1.047 14.228 1.00 0.00 C ATOM 981 CD ARG A 72 4.841 1.084 14.856 1.00 0.00 C ATOM 982 NE ARG A 72 4.920 1.597 16.219 1.00 0.00 N ATOM 983 CZ ARG A 72 3.833 1.703 16.975 1.00 0.00 C ATOM 984 NH1 ARG A 72 2.670 1.365 16.492 1.00 0.00 N ATOM 985 NH2 ARG A 72 3.930 2.148 18.199 1.00 0.00 N ATOM 0 H ARG A 72 6.515 0.015 10.406 1.00 0.00 H new ATOM 0 HA ARG A 72 7.966 1.627 12.260 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.476 1.341 12.225 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.672 -0.343 12.670 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.865 0.338 14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.707 2.025 14.314 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.181 1.714 14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.409 0.083 14.860 1.00 0.00 H new ATOM 0 HE ARG A 72 5.824 1.879 16.598 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.596 1.020 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.834 1.446 17.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.840 2.414 18.574 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.095 2.229 18.780 1.00 0.00 H new ATOM 999 N GLU A 73 8.268 -1.634 12.371 1.00 0.00 N ATOM 1000 CA GLU A 73 9.022 -2.723 12.967 1.00 0.00 C ATOM 1001 C GLU A 73 10.512 -2.534 12.748 1.00 0.00 C ATOM 1002 O GLU A 73 11.323 -2.836 13.625 1.00 0.00 O ATOM 1003 CB GLU A 73 8.601 -4.066 12.369 1.00 0.00 C ATOM 1004 CG GLU A 73 7.093 -4.067 12.147 1.00 0.00 C ATOM 1005 CD GLU A 73 6.625 -5.454 11.721 1.00 0.00 C ATOM 1006 OE1 GLU A 73 5.427 -5.634 11.578 1.00 0.00 O ATOM 1007 OE2 GLU A 73 7.469 -6.317 11.550 1.00 0.00 O ATOM 0 H GLU A 73 7.654 -1.910 11.605 1.00 0.00 H new ATOM 0 HA GLU A 73 8.810 -2.719 14.036 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.119 -4.236 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.882 -4.879 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.583 -3.768 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.830 -3.336 11.383 1.00 0.00 H new ATOM 1014 N ARG A 74 10.871 -2.045 11.573 1.00 0.00 N ATOM 1015 CA ARG A 74 12.271 -1.834 11.253 1.00 0.00 C ATOM 1016 C ARG A 74 12.885 -0.820 12.207 1.00 0.00 C ATOM 1017 O ARG A 74 14.055 -0.929 12.576 1.00 0.00 O ATOM 1018 CB ARG A 74 12.417 -1.337 9.817 1.00 0.00 C ATOM 1019 CG ARG A 74 12.010 -2.444 8.844 1.00 0.00 C ATOM 1020 CD ARG A 74 12.296 -1.983 7.416 1.00 0.00 C ATOM 1021 NE ARG A 74 11.496 -0.810 7.091 1.00 0.00 N ATOM 1022 CZ ARG A 74 11.687 -0.144 5.956 1.00 0.00 C ATOM 1023 NH1 ARG A 74 12.589 -0.549 5.106 1.00 0.00 N ATOM 1024 NH2 ARG A 74 10.966 0.912 5.688 1.00 0.00 N ATOM 0 H ARG A 74 10.219 -1.789 10.832 1.00 0.00 H new ATOM 0 HA ARG A 74 12.794 -2.785 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.794 -0.456 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.448 -1.036 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.562 -3.358 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.951 -2.676 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.355 -1.750 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.074 -2.788 6.716 1.00 0.00 H new ATOM 0 HE ARG A 74 10.778 -0.495 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.148 -1.377 5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.735 -0.038 4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.256 1.226 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.113 1.422 4.817 1.00 0.00 H new