USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.909 (180deg=-0.439!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= -0.205 (180deg=-0.894) USER MOD Single : A 5 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 9 THR OG1 : rot 18:sc= -0.0714 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 CYS SG : rot 170:sc= 0.129 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc=-0.00686 (180deg=-0.163) USER MOD Single : A 20 ASN : amide:sc= -2.58 K(o=-2.6,f=-6.5!) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.195) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 153:sc= -0.391 (180deg=-1.26) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00654 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.935 -10.638 -8.208 1.00 0.00 N ATOM 2 CA MET A 1 4.525 -9.274 -8.275 1.00 0.00 C ATOM 3 C MET A 1 3.458 -8.200 -8.082 1.00 0.00 C ATOM 4 O MET A 1 3.060 -7.539 -9.041 1.00 0.00 O ATOM 5 CB MET A 1 5.201 -9.107 -9.638 1.00 0.00 C ATOM 6 CG MET A 1 4.312 -9.492 -10.810 1.00 0.00 C ATOM 7 SD MET A 1 4.859 -8.763 -12.365 1.00 0.00 S ATOM 8 CE MET A 1 6.235 -9.833 -12.774 1.00 0.00 C ATOM 0 H1 MET A 1 4.434 -11.265 -8.870 1.00 0.00 H new ATOM 0 H2 MET A 1 4.029 -11.010 -7.241 1.00 0.00 H new ATOM 0 H3 MET A 1 2.928 -10.594 -8.465 1.00 0.00 H new ATOM 0 HA MET A 1 5.254 -9.158 -7.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.513 -8.069 -9.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.105 -9.716 -9.663 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.296 -10.577 -10.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.289 -9.176 -10.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.680 -9.509 -13.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.983 -9.783 -11.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.881 -10.859 -12.874 1.00 0.00 H new ATOM 20 N MET A 2 2.995 -8.018 -6.843 1.00 0.00 N ATOM 21 CA MET A 2 1.976 -7.005 -6.576 1.00 0.00 C ATOM 22 C MET A 2 2.609 -5.619 -6.447 1.00 0.00 C ATOM 23 O MET A 2 3.305 -5.331 -5.476 1.00 0.00 O ATOM 24 CB MET A 2 1.190 -7.349 -5.308 1.00 0.00 C ATOM 25 CG MET A 2 -0.317 -7.262 -5.483 1.00 0.00 C ATOM 26 SD MET A 2 -1.210 -7.458 -3.929 1.00 0.00 S ATOM 27 CE MET A 2 -2.851 -7.857 -4.526 1.00 0.00 C ATOM 0 H MET A 2 3.302 -8.547 -6.026 1.00 0.00 H new ATOM 0 HA MET A 2 1.285 -6.992 -7.419 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.453 -8.358 -4.991 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.494 -6.674 -4.508 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.572 -6.299 -5.925 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.642 -8.031 -6.184 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.520 -8.007 -3.679 1.00 0.00 H new ATOM 0 HE2 MET A 2 -3.223 -7.038 -5.141 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.810 -8.769 -5.122 1.00 0.00 H new ATOM 37 N LYS A 3 2.362 -4.761 -7.434 1.00 0.00 N ATOM 38 CA LYS A 3 2.914 -3.410 -7.423 1.00 0.00 C ATOM 39 C LYS A 3 2.265 -2.574 -6.331 1.00 0.00 C ATOM 40 O LYS A 3 1.128 -2.123 -6.466 1.00 0.00 O ATOM 41 CB LYS A 3 2.719 -2.740 -8.782 1.00 0.00 C ATOM 42 CG LYS A 3 3.850 -3.009 -9.760 1.00 0.00 C ATOM 43 CD LYS A 3 3.403 -2.810 -11.200 1.00 0.00 C ATOM 44 CE LYS A 3 4.052 -1.586 -11.824 1.00 0.00 C ATOM 45 NZ LYS A 3 5.538 -1.656 -11.771 1.00 0.00 N ATOM 0 H LYS A 3 1.786 -4.976 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 3 3.982 -3.482 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.782 -3.087 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.623 -1.664 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.686 -2.344 -9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.211 -4.029 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.655 -3.694 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.319 -2.704 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.730 -1.494 -12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.712 -0.690 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.938 -1.187 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.878 -1.178 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.838 -2.652 -11.755 1.00 0.00 H new ATOM 59 N ILE A 4 2.999 -2.381 -5.244 1.00 0.00 N ATOM 60 CA ILE A 4 2.510 -1.611 -4.110 1.00 0.00 C ATOM 61 C ILE A 4 3.101 -0.201 -4.106 1.00 0.00 C ATOM 62 O ILE A 4 4.312 -0.025 -3.970 1.00 0.00 O ATOM 63 CB ILE A 4 2.838 -2.334 -2.779 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.627 -3.140 -2.308 1.00 0.00 C ATOM 65 CG2 ILE A 4 3.274 -1.354 -1.699 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.514 -4.500 -2.962 1.00 0.00 C ATOM 0 H ILE A 4 3.942 -2.750 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 4 1.428 -1.526 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 4 3.671 -3.012 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.685 -3.269 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.720 -2.571 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.495 -1.899 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.166 -0.822 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.473 -0.638 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.633 -5.015 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.424 -4.378 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.404 -5.087 -2.736 1.00 0.00 H new ATOM 78 N GLN A 5 2.235 0.797 -4.246 1.00 0.00 N ATOM 79 CA GLN A 5 2.666 2.193 -4.250 1.00 0.00 C ATOM 80 C GLN A 5 2.196 2.889 -2.974 1.00 0.00 C ATOM 81 O GLN A 5 0.994 3.034 -2.752 1.00 0.00 O ATOM 82 CB GLN A 5 2.122 2.933 -5.483 1.00 0.00 C ATOM 83 CG GLN A 5 1.615 2.023 -6.595 1.00 0.00 C ATOM 84 CD GLN A 5 2.734 1.419 -7.416 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.913 1.649 -7.148 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.367 0.639 -8.427 1.00 0.00 N ATOM 0 H GLN A 5 1.230 0.666 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 5 3.755 2.214 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.310 3.588 -5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.909 3.571 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.018 1.222 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.956 2.591 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.377 0.476 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.075 0.203 -9.018 1.00 0.00 H new ATOM 95 N ILE A 6 3.138 3.313 -2.129 1.00 0.00 N ATOM 96 CA ILE A 6 2.780 3.978 -0.878 1.00 0.00 C ATOM 97 C ILE A 6 2.915 5.493 -0.982 1.00 0.00 C ATOM 98 O ILE A 6 4.020 6.029 -1.049 1.00 0.00 O ATOM 99 CB ILE A 6 3.630 3.468 0.306 1.00 0.00 C ATOM 100 CG1 ILE A 6 5.123 3.544 -0.022 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.234 2.044 0.665 1.00 0.00 C ATOM 102 CD1 ILE A 6 6.013 3.031 1.090 1.00 0.00 C ATOM 0 H ILE A 6 4.140 3.209 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 6 1.735 3.732 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 6 3.440 4.110 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.318 2.969 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.387 4.579 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.841 1.697 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.181 2.019 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.395 1.394 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.057 3.115 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.847 3.622 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.777 1.986 1.293 1.00 0.00 H new ATOM 114 N TYR A 7 1.774 6.177 -0.992 1.00 0.00 N ATOM 115 CA TYR A 7 1.751 7.630 -1.085 1.00 0.00 C ATOM 116 C TYR A 7 1.774 8.264 0.299 1.00 0.00 C ATOM 117 O TYR A 7 0.946 7.947 1.152 1.00 0.00 O ATOM 118 CB TYR A 7 0.510 8.076 -1.859 1.00 0.00 C ATOM 119 CG TYR A 7 0.451 7.499 -3.260 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.108 8.105 -4.329 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.248 6.327 -3.507 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.058 7.553 -5.597 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.298 5.770 -4.767 1.00 0.00 C ATOM 124 CZ TYR A 7 0.356 6.386 -5.810 1.00 0.00 C ATOM 125 OH TYR A 7 0.309 5.835 -7.069 1.00 0.00 O ATOM 0 H TYR A 7 0.852 5.745 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 7 2.642 7.961 -1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.382 7.776 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.496 9.164 -1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.663 9.017 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.765 5.840 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.568 8.035 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.847 4.855 -4.935 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.226 5.014 -7.047 1.00 0.00 H new ATOM 135 N GLY A 8 2.733 9.157 0.516 1.00 0.00 N ATOM 136 CA GLY A 8 2.851 9.822 1.800 1.00 0.00 C ATOM 137 C GLY A 8 4.284 10.192 2.133 1.00 0.00 C ATOM 138 O GLY A 8 4.703 11.329 1.919 1.00 0.00 O ATOM 0 H GLY A 8 3.431 9.432 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.238 10.723 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.456 9.171 2.580 1.00 0.00 H new ATOM 142 N THR A 9 5.034 9.228 2.660 1.00 0.00 N ATOM 143 CA THR A 9 6.429 9.454 3.027 1.00 0.00 C ATOM 144 C THR A 9 6.575 10.684 3.919 1.00 0.00 C ATOM 145 O THR A 9 6.971 11.754 3.458 1.00 0.00 O ATOM 146 CB THR A 9 7.320 9.624 1.782 1.00 0.00 C ATOM 147 OG1 THR A 9 6.983 10.837 1.097 1.00 0.00 O ATOM 148 CG2 THR A 9 7.163 8.441 0.838 1.00 0.00 C ATOM 0 H THR A 9 4.699 8.282 2.843 1.00 0.00 H new ATOM 0 HA THR A 9 6.755 8.572 3.578 1.00 0.00 H new ATOM 0 HB THR A 9 8.358 9.671 2.111 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.476 11.422 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.802 8.584 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.451 7.524 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.124 8.366 0.518 1.00 0.00 H new ATOM 156 N GLY A 10 6.253 10.523 5.198 1.00 0.00 N ATOM 157 CA GLY A 10 6.354 11.626 6.134 1.00 0.00 C ATOM 158 C GLY A 10 5.312 11.553 7.233 1.00 0.00 C ATOM 159 O GLY A 10 5.585 11.052 8.324 1.00 0.00 O ATOM 0 H GLY A 10 5.923 9.647 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.348 11.629 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.243 12.567 5.595 1.00 0.00 H new ATOM 163 N CYS A 11 4.115 12.053 6.946 1.00 0.00 N ATOM 164 CA CYS A 11 3.028 12.042 7.919 1.00 0.00 C ATOM 165 C CYS A 11 2.146 10.810 7.737 1.00 0.00 C ATOM 166 O CYS A 11 1.556 10.310 8.695 1.00 0.00 O ATOM 167 CB CYS A 11 2.183 13.310 7.785 1.00 0.00 C ATOM 168 SG CYS A 11 3.140 14.843 7.828 1.00 0.00 S ATOM 0 H CYS A 11 3.873 12.471 6.048 1.00 0.00 H new ATOM 0 HA CYS A 11 3.468 12.009 8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.628 13.267 6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.448 13.331 8.590 1.00 0.00 H new ATOM 0 HG CYS A 11 2.338 15.859 7.705 1.00 0.00 H new ATOM 174 N ALA A 12 2.058 10.328 6.501 1.00 0.00 N ATOM 175 CA ALA A 12 1.246 9.158 6.194 1.00 0.00 C ATOM 176 C ALA A 12 1.767 7.916 6.910 1.00 0.00 C ATOM 177 O ALA A 12 2.967 7.639 6.903 1.00 0.00 O ATOM 178 CB ALA A 12 1.206 8.924 4.691 1.00 0.00 C ATOM 0 H ALA A 12 2.539 10.730 5.697 1.00 0.00 H new ATOM 0 HA ALA A 12 0.234 9.349 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.596 8.047 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.775 9.796 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.218 8.762 4.321 1.00 0.00 H new ATOM 184 N ASN A 13 0.854 7.173 7.528 1.00 0.00 N ATOM 185 CA ASN A 13 1.204 5.953 8.253 1.00 0.00 C ATOM 186 C ASN A 13 1.477 4.779 7.307 1.00 0.00 C ATOM 187 O ASN A 13 1.402 3.621 7.716 1.00 0.00 O ATOM 188 CB ASN A 13 0.085 5.585 9.228 1.00 0.00 C ATOM 189 CG ASN A 13 -0.249 6.721 10.176 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.616 7.522 10.530 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.508 6.796 10.590 1.00 0.00 N ATOM 0 H ASN A 13 -0.141 7.396 7.542 1.00 0.00 H new ATOM 0 HA ASN A 13 2.123 6.153 8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.807 5.309 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.382 4.709 9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.792 7.540 11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.192 6.110 10.270 1.00 0.00 H new ATOM 198 N CYS A 14 1.789 5.077 6.046 1.00 0.00 N ATOM 199 CA CYS A 14 2.065 4.032 5.054 1.00 0.00 C ATOM 200 C CYS A 14 3.134 3.064 5.552 1.00 0.00 C ATOM 201 O CYS A 14 3.210 1.922 5.103 1.00 0.00 O ATOM 202 CB CYS A 14 2.506 4.652 3.725 1.00 0.00 C ATOM 203 SG CYS A 14 3.673 6.024 3.892 1.00 0.00 S ATOM 0 H CYS A 14 1.857 6.029 5.686 1.00 0.00 H new ATOM 0 HA CYS A 14 1.141 3.475 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.962 3.876 3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.623 5.005 3.192 1.00 0.00 H new ATOM 0 HG CYS A 14 4.146 6.336 2.722 1.00 0.00 H new ATOM 209 N GLN A 15 3.957 3.532 6.481 1.00 0.00 N ATOM 210 CA GLN A 15 5.024 2.723 7.048 1.00 0.00 C ATOM 211 C GLN A 15 4.475 1.423 7.640 1.00 0.00 C ATOM 212 O GLN A 15 5.089 0.362 7.513 1.00 0.00 O ATOM 213 CB GLN A 15 5.758 3.553 8.109 1.00 0.00 C ATOM 214 CG GLN A 15 5.621 3.031 9.534 1.00 0.00 C ATOM 215 CD GLN A 15 6.169 3.998 10.564 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.299 3.852 11.029 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.368 4.993 10.927 1.00 0.00 N ATOM 0 H GLN A 15 3.903 4.477 6.860 1.00 0.00 H new ATOM 0 HA GLN A 15 5.725 2.440 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.816 3.592 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.383 4.576 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.570 2.837 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.145 2.079 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.438 5.076 10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.682 5.675 11.618 1.00 0.00 H new ATOM 226 N MET A 16 3.318 1.517 8.288 1.00 0.00 N ATOM 227 CA MET A 16 2.688 0.353 8.903 1.00 0.00 C ATOM 228 C MET A 16 2.203 -0.634 7.844 1.00 0.00 C ATOM 229 O MET A 16 2.515 -1.822 7.902 1.00 0.00 O ATOM 230 CB MET A 16 1.520 0.790 9.790 1.00 0.00 C ATOM 231 CG MET A 16 0.797 -0.366 10.462 1.00 0.00 C ATOM 232 SD MET A 16 -0.378 0.183 11.714 1.00 0.00 S ATOM 233 CE MET A 16 -1.601 -1.121 11.628 1.00 0.00 C ATOM 0 H MET A 16 2.797 2.387 8.401 1.00 0.00 H new ATOM 0 HA MET A 16 3.434 -0.149 9.519 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.892 1.469 10.557 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.807 1.351 9.186 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.271 -0.949 9.706 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.529 -1.029 10.923 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.396 -0.922 12.347 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.022 -1.159 10.623 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.131 -2.076 11.861 1.00 0.00 H new ATOM 243 N LEU A 17 1.444 -0.134 6.872 1.00 0.00 N ATOM 244 CA LEU A 17 0.925 -0.977 5.801 1.00 0.00 C ATOM 245 C LEU A 17 2.060 -1.442 4.893 1.00 0.00 C ATOM 246 O LEU A 17 1.968 -2.485 4.248 1.00 0.00 O ATOM 247 CB LEU A 17 -0.138 -0.218 4.993 1.00 0.00 C ATOM 248 CG LEU A 17 -0.064 -0.372 3.470 1.00 0.00 C ATOM 249 CD1 LEU A 17 -1.414 -0.067 2.837 1.00 0.00 C ATOM 250 CD2 LEU A 17 1.017 0.535 2.898 1.00 0.00 C ATOM 0 H LEU A 17 1.176 0.848 6.805 1.00 0.00 H new ATOM 0 HA LEU A 17 0.458 -1.857 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.122 -0.550 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.061 0.842 5.235 1.00 0.00 H new ATOM 0 HG LEU A 17 0.196 -1.405 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.343 -0.181 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.163 -0.757 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.705 0.956 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.058 0.415 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.787 1.573 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.982 0.268 3.329 1.00 0.00 H new ATOM 262 N GLU A 18 3.129 -0.656 4.853 1.00 0.00 N ATOM 263 CA GLU A 18 4.292 -0.995 4.017 1.00 0.00 C ATOM 264 C GLU A 18 4.856 -2.353 4.423 1.00 0.00 C ATOM 265 O GLU A 18 5.027 -3.240 3.587 1.00 0.00 O ATOM 266 CB GLU A 18 5.405 0.069 4.095 1.00 0.00 C ATOM 267 CG GLU A 18 6.607 -0.252 3.219 1.00 0.00 C ATOM 268 CD GLU A 18 7.902 0.293 3.790 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.840 1.203 4.641 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.980 -0.192 3.383 1.00 0.00 O ATOM 0 H GLU A 18 3.222 0.212 5.380 1.00 0.00 H new ATOM 0 HA GLU A 18 3.941 -1.030 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.996 1.035 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.734 0.166 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.691 -1.333 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.449 0.163 2.224 1.00 0.00 H new ATOM 277 N LYS A 19 5.140 -2.508 5.712 1.00 0.00 N ATOM 278 CA LYS A 19 5.683 -3.758 6.228 1.00 0.00 C ATOM 279 C LYS A 19 4.665 -4.888 6.095 1.00 0.00 C ATOM 280 O LYS A 19 5.003 -5.996 5.676 1.00 0.00 O ATOM 281 CB LYS A 19 6.092 -3.596 7.693 1.00 0.00 C ATOM 282 CG LYS A 19 6.968 -4.725 8.209 1.00 0.00 C ATOM 283 CD LYS A 19 7.887 -4.253 9.323 1.00 0.00 C ATOM 284 CE LYS A 19 7.096 -3.730 10.512 1.00 0.00 C ATOM 285 NZ LYS A 19 6.226 -4.780 11.112 1.00 0.00 N ATOM 0 H LYS A 19 5.003 -1.784 6.417 1.00 0.00 H new ATOM 0 HA LYS A 19 6.564 -4.013 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.624 -2.652 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.194 -3.534 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.339 -5.537 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.564 -5.127 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.526 -5.076 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.543 -3.468 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.785 -3.355 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.481 -2.888 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.850 -4.442 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.437 -4.987 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.782 -5.645 11.267 1.00 0.00 H new ATOM 299 N ASN A 20 3.419 -4.599 6.456 1.00 0.00 N ATOM 300 CA ASN A 20 2.348 -5.592 6.381 1.00 0.00 C ATOM 301 C ASN A 20 2.187 -6.122 4.960 1.00 0.00 C ATOM 302 O ASN A 20 2.224 -7.332 4.731 1.00 0.00 O ATOM 303 CB ASN A 20 1.024 -4.990 6.863 1.00 0.00 C ATOM 304 CG ASN A 20 1.181 -4.194 8.143 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.256 -4.163 8.741 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.104 -3.544 8.571 1.00 0.00 N ATOM 0 H ASN A 20 3.124 -3.687 6.803 1.00 0.00 H new ATOM 0 HA ASN A 20 2.620 -6.424 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.617 -4.344 6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.301 -5.790 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.149 -2.991 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.767 -3.598 8.043 1.00 0.00 H new ATOM 313 N ALA A 21 2.004 -5.213 4.007 1.00 0.00 N ATOM 314 CA ALA A 21 1.835 -5.593 2.608 1.00 0.00 C ATOM 315 C ALA A 21 2.972 -6.497 2.137 1.00 0.00 C ATOM 316 O ALA A 21 2.761 -7.411 1.341 1.00 0.00 O ATOM 317 CB ALA A 21 1.747 -4.353 1.728 1.00 0.00 C ATOM 0 H ALA A 21 1.969 -4.208 4.178 1.00 0.00 H new ATOM 0 HA ALA A 21 0.904 -6.153 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.621 -4.653 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.895 -3.748 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.662 -3.769 1.829 1.00 0.00 H new ATOM 323 N ARG A 22 4.179 -6.232 2.629 1.00 0.00 N ATOM 324 CA ARG A 22 5.349 -7.018 2.253 1.00 0.00 C ATOM 325 C ARG A 22 5.178 -8.484 2.635 1.00 0.00 C ATOM 326 O ARG A 22 5.418 -9.378 1.822 1.00 0.00 O ATOM 327 CB ARG A 22 6.608 -6.448 2.919 1.00 0.00 C ATOM 328 CG ARG A 22 7.435 -5.563 1.997 1.00 0.00 C ATOM 329 CD ARG A 22 8.872 -6.047 1.897 1.00 0.00 C ATOM 330 NE ARG A 22 9.694 -5.153 1.084 1.00 0.00 N ATOM 331 CZ ARG A 22 10.954 -5.414 0.740 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.540 -6.538 1.134 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.630 -4.546 -0.002 1.00 0.00 N ATOM 0 H ARG A 22 4.372 -5.479 3.289 1.00 0.00 H new ATOM 0 HA ARG A 22 5.456 -6.959 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.316 -5.872 3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.228 -7.272 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.985 -5.550 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.421 -4.538 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.299 -6.124 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.889 -7.048 1.465 1.00 0.00 H new ATOM 0 HE ARG A 22 9.279 -4.279 0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.025 -7.209 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.505 -6.731 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.185 -3.681 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.595 -4.744 -0.266 1.00 0.00 H new ATOM 347 N GLU A 23 4.773 -8.727 3.873 1.00 0.00 N ATOM 348 CA GLU A 23 4.584 -10.089 4.351 1.00 0.00 C ATOM 349 C GLU A 23 3.355 -10.732 3.719 1.00 0.00 C ATOM 350 O GLU A 23 3.420 -11.860 3.240 1.00 0.00 O ATOM 351 CB GLU A 23 4.465 -10.113 5.879 1.00 0.00 C ATOM 352 CG GLU A 23 3.443 -9.136 6.439 1.00 0.00 C ATOM 353 CD GLU A 23 3.339 -9.206 7.950 1.00 0.00 C ATOM 354 OE1 GLU A 23 3.511 -10.310 8.506 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.086 -8.156 8.576 1.00 0.00 O ATOM 0 H GLU A 23 4.570 -8.003 4.562 1.00 0.00 H new ATOM 0 HA GLU A 23 5.460 -10.667 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.199 -11.121 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.440 -9.890 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.714 -8.123 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.467 -9.345 6.001 1.00 0.00 H new ATOM 362 N ALA A 24 2.237 -10.015 3.722 1.00 0.00 N ATOM 363 CA ALA A 24 0.996 -10.533 3.154 1.00 0.00 C ATOM 364 C ALA A 24 1.116 -10.795 1.658 1.00 0.00 C ATOM 365 O ALA A 24 0.756 -11.870 1.182 1.00 0.00 O ATOM 366 CB ALA A 24 -0.152 -9.574 3.436 1.00 0.00 C ATOM 0 H ALA A 24 2.163 -9.075 4.111 1.00 0.00 H new ATOM 0 HA ALA A 24 0.790 -11.490 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.072 -9.972 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.274 -9.459 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.066 -8.604 2.990 1.00 0.00 H new ATOM 372 N VAL A 25 1.613 -9.813 0.914 1.00 0.00 N ATOM 373 CA VAL A 25 1.759 -9.962 -0.531 1.00 0.00 C ATOM 374 C VAL A 25 2.552 -11.227 -0.873 1.00 0.00 C ATOM 375 O VAL A 25 2.077 -12.081 -1.621 1.00 0.00 O ATOM 376 CB VAL A 25 2.423 -8.704 -1.170 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.924 -8.666 -0.924 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.122 -8.651 -2.658 1.00 0.00 C ATOM 0 H VAL A 25 1.919 -8.913 1.282 1.00 0.00 H new ATOM 0 HA VAL A 25 0.759 -10.060 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 25 1.996 -7.824 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.346 -7.774 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.116 -8.645 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.386 -9.552 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.591 -7.768 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.515 -9.546 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.044 -8.601 -2.810 1.00 0.00 H new ATOM 388 N LYS A 26 3.749 -11.350 -0.312 1.00 0.00 N ATOM 389 CA LYS A 26 4.595 -12.514 -0.549 1.00 0.00 C ATOM 390 C LYS A 26 4.019 -13.765 0.121 1.00 0.00 C ATOM 391 O LYS A 26 3.911 -14.818 -0.507 1.00 0.00 O ATOM 392 CB LYS A 26 6.010 -12.253 -0.027 1.00 0.00 C ATOM 393 CG LYS A 26 6.975 -11.772 -1.098 1.00 0.00 C ATOM 394 CD LYS A 26 8.397 -11.690 -0.569 1.00 0.00 C ATOM 395 CE LYS A 26 8.594 -10.468 0.314 1.00 0.00 C ATOM 396 NZ LYS A 26 9.272 -9.360 -0.414 1.00 0.00 N ATOM 0 H LYS A 26 4.157 -10.655 0.313 1.00 0.00 H new ATOM 0 HA LYS A 26 4.631 -12.688 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.963 -11.509 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.400 -13.170 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.941 -12.450 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.662 -10.792 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.627 -12.591 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.096 -11.653 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.626 -10.124 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.185 -10.743 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.659 -8.680 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.045 -9.747 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.586 -8.878 -1.030 1.00 0.00 H new ATOM 410 N GLU A 27 3.659 -13.645 1.400 1.00 0.00 N ATOM 411 CA GLU A 27 3.103 -14.772 2.152 1.00 0.00 C ATOM 412 C GLU A 27 1.938 -15.410 1.406 1.00 0.00 C ATOM 413 O GLU A 27 1.869 -16.633 1.274 1.00 0.00 O ATOM 414 CB GLU A 27 2.645 -14.326 3.542 1.00 0.00 C ATOM 415 CG GLU A 27 2.049 -15.447 4.378 1.00 0.00 C ATOM 416 CD GLU A 27 2.134 -15.172 5.867 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.868 -14.022 6.275 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.470 -16.106 6.624 1.00 0.00 O ATOM 0 H GLU A 27 3.742 -12.781 1.936 1.00 0.00 H new ATOM 0 HA GLU A 27 3.894 -15.514 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.495 -13.899 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.905 -13.533 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.005 -15.589 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.569 -16.378 4.154 1.00 0.00 H new ATOM 425 N LEU A 28 1.024 -14.579 0.909 1.00 0.00 N ATOM 426 CA LEU A 28 -0.130 -15.075 0.165 1.00 0.00 C ATOM 427 C LEU A 28 0.317 -16.020 -0.946 1.00 0.00 C ATOM 428 O LEU A 28 -0.448 -16.871 -1.400 1.00 0.00 O ATOM 429 CB LEU A 28 -0.928 -13.912 -0.427 1.00 0.00 C ATOM 430 CG LEU A 28 -2.431 -14.159 -0.559 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.700 -15.311 -1.514 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.049 -14.435 0.806 1.00 0.00 C ATOM 0 H LEU A 28 1.060 -13.564 1.008 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.771 -15.623 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.773 -13.031 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.525 -13.680 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.894 -13.261 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.775 -15.473 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.293 -15.072 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.225 -16.216 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.119 -14.608 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.583 -15.317 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.888 -13.577 1.459 1.00 0.00 H new ATOM 444 N GLY A 29 1.568 -15.866 -1.375 1.00 0.00 N ATOM 445 CA GLY A 29 2.104 -16.713 -2.423 1.00 0.00 C ATOM 446 C GLY A 29 2.401 -15.946 -3.696 1.00 0.00 C ATOM 447 O GLY A 29 2.194 -16.457 -4.796 1.00 0.00 O ATOM 0 H GLY A 29 2.219 -15.169 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.018 -17.189 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.393 -17.510 -2.641 1.00 0.00 H new ATOM 451 N ILE A 30 2.889 -14.719 -3.547 1.00 0.00 N ATOM 452 CA ILE A 30 3.215 -13.886 -4.699 1.00 0.00 C ATOM 453 C ILE A 30 4.023 -12.657 -4.294 1.00 0.00 C ATOM 454 O ILE A 30 3.541 -11.796 -3.559 1.00 0.00 O ATOM 455 CB ILE A 30 1.944 -13.421 -5.444 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.800 -13.170 -4.459 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.534 -14.448 -6.490 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.066 -11.985 -4.826 1.00 0.00 C ATOM 0 H ILE A 30 3.067 -14.281 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 30 3.815 -14.507 -5.364 1.00 0.00 H new ATOM 0 HB ILE A 30 2.168 -12.483 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.176 -14.062 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.216 -13.011 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.637 -14.104 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.341 -14.574 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.330 -15.402 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.856 -11.868 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.545 -11.082 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.512 -12.150 -5.807 1.00 0.00 H new ATOM 470 N ASP A 31 5.249 -12.575 -4.799 1.00 0.00 N ATOM 471 CA ASP A 31 6.127 -11.449 -4.518 1.00 0.00 C ATOM 472 C ASP A 31 5.500 -10.164 -5.031 1.00 0.00 C ATOM 473 O ASP A 31 4.544 -10.201 -5.800 1.00 0.00 O ATOM 474 CB ASP A 31 7.493 -11.663 -5.171 1.00 0.00 C ATOM 475 CG ASP A 31 8.633 -11.151 -4.312 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.898 -9.930 -4.343 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.261 -11.970 -3.610 1.00 0.00 O ATOM 0 H ASP A 31 5.658 -13.282 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 31 6.265 -11.373 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.637 -12.726 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.514 -11.157 -6.136 1.00 0.00 H new ATOM 482 N ALA A 32 6.028 -9.032 -4.595 1.00 0.00 N ATOM 483 CA ALA A 32 5.516 -7.749 -5.013 1.00 0.00 C ATOM 484 C ALA A 32 6.641 -6.738 -5.055 1.00 0.00 C ATOM 485 O ALA A 32 7.785 -7.056 -4.732 1.00 0.00 O ATOM 486 CB ALA A 32 4.417 -7.290 -4.072 1.00 0.00 C ATOM 0 H ALA A 32 6.815 -8.982 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 32 5.092 -7.841 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.040 -6.321 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.605 -8.017 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.816 -7.202 -3.062 1.00 0.00 H new ATOM 492 N GLU A 33 6.316 -5.519 -5.439 1.00 0.00 N ATOM 493 CA GLU A 33 7.314 -4.473 -5.501 1.00 0.00 C ATOM 494 C GLU A 33 6.817 -3.242 -4.760 1.00 0.00 C ATOM 495 O GLU A 33 5.831 -2.621 -5.157 1.00 0.00 O ATOM 496 CB GLU A 33 7.647 -4.124 -6.952 1.00 0.00 C ATOM 497 CG GLU A 33 7.892 -5.340 -7.831 1.00 0.00 C ATOM 498 CD GLU A 33 7.110 -5.290 -9.128 1.00 0.00 C ATOM 499 OE1 GLU A 33 5.868 -5.416 -9.078 1.00 0.00 O ATOM 500 OE2 GLU A 33 7.739 -5.127 -10.195 1.00 0.00 O ATOM 0 H GLU A 33 5.376 -5.231 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 33 8.225 -4.832 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.828 -3.541 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.533 -3.489 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.956 -5.413 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.620 -6.241 -7.282 1.00 0.00 H new ATOM 507 N PHE A 34 7.484 -2.912 -3.666 1.00 0.00 N ATOM 508 CA PHE A 34 7.086 -1.778 -2.851 1.00 0.00 C ATOM 509 C PHE A 34 7.947 -0.557 -3.130 1.00 0.00 C ATOM 510 O PHE A 34 9.125 -0.510 -2.773 1.00 0.00 O ATOM 511 CB PHE A 34 7.159 -2.151 -1.372 1.00 0.00 C ATOM 512 CG PHE A 34 6.272 -3.310 -1.007 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.285 -4.479 -1.759 1.00 0.00 C ATOM 514 CD2 PHE A 34 5.416 -3.232 0.077 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.467 -5.535 -1.438 1.00 0.00 C ATOM 516 CE2 PHE A 34 4.598 -4.291 0.403 1.00 0.00 C ATOM 517 CZ PHE A 34 4.623 -5.443 -0.357 1.00 0.00 C ATOM 0 H PHE A 34 8.303 -3.414 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 34 6.059 -1.521 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.190 -2.397 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.880 -1.285 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.948 -4.558 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.389 -2.332 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.487 -6.436 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.937 -4.220 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.979 -6.272 -0.102 1.00 0.00 H new ATOM 527 N GLU A 35 7.337 0.432 -3.763 1.00 0.00 N ATOM 528 CA GLU A 35 8.018 1.675 -4.092 1.00 0.00 C ATOM 529 C GLU A 35 7.229 2.861 -3.555 1.00 0.00 C ATOM 530 O GLU A 35 6.026 2.976 -3.797 1.00 0.00 O ATOM 531 CB GLU A 35 8.194 1.803 -5.607 1.00 0.00 C ATOM 532 CG GLU A 35 9.146 2.914 -6.016 1.00 0.00 C ATOM 533 CD GLU A 35 9.996 2.541 -7.215 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.443 1.978 -8.183 1.00 0.00 O ATOM 535 OE2 GLU A 35 11.216 2.811 -7.186 1.00 0.00 O ATOM 0 H GLU A 35 6.362 0.397 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 35 9.004 1.665 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.562 0.856 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.221 1.983 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.573 3.812 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.796 3.158 -5.176 1.00 0.00 H new ATOM 542 N LYS A 36 7.902 3.737 -2.822 1.00 0.00 N ATOM 543 CA LYS A 36 7.241 4.903 -2.256 1.00 0.00 C ATOM 544 C LYS A 36 7.081 5.995 -3.305 1.00 0.00 C ATOM 545 O LYS A 36 7.853 6.073 -4.261 1.00 0.00 O ATOM 546 CB LYS A 36 8.010 5.435 -1.048 1.00 0.00 C ATOM 547 CG LYS A 36 8.627 4.345 -0.185 1.00 0.00 C ATOM 548 CD LYS A 36 10.139 4.302 -0.332 1.00 0.00 C ATOM 549 CE LYS A 36 10.829 5.127 0.743 1.00 0.00 C ATOM 550 NZ LYS A 36 11.899 4.357 1.433 1.00 0.00 N ATOM 0 H LYS A 36 8.896 3.663 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 36 6.250 4.596 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.800 6.101 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.336 6.033 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.367 4.517 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.206 3.379 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.482 3.269 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.420 4.677 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.259 6.022 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.092 5.459 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.344 4.955 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.486 3.516 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.616 4.061 0.740 1.00 0.00 H new ATOM 564 N ILE A 37 6.051 6.814 -3.135 1.00 0.00 N ATOM 565 CA ILE A 37 5.754 7.879 -4.078 1.00 0.00 C ATOM 566 C ILE A 37 5.721 9.235 -3.377 1.00 0.00 C ATOM 567 O ILE A 37 4.650 9.769 -3.087 1.00 0.00 O ATOM 568 CB ILE A 37 4.397 7.624 -4.783 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.601 6.530 -4.051 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.614 7.229 -6.234 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.298 5.187 -4.016 1.00 0.00 C ATOM 0 H ILE A 37 5.405 6.758 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 37 6.547 7.890 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 37 3.822 8.550 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.409 6.856 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.632 6.413 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.650 7.054 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.137 8.031 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.211 6.318 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.676 4.468 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.466 4.838 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.255 5.287 -3.504 1.00 0.00 H new ATOM 583 N LYS A 38 6.902 9.784 -3.105 1.00 0.00 N ATOM 584 CA LYS A 38 7.007 11.074 -2.436 1.00 0.00 C ATOM 585 C LYS A 38 6.724 12.213 -3.408 1.00 0.00 C ATOM 586 O LYS A 38 7.637 12.906 -3.861 1.00 0.00 O ATOM 587 CB LYS A 38 8.398 11.245 -1.823 1.00 0.00 C ATOM 588 CG LYS A 38 8.498 12.420 -0.864 1.00 0.00 C ATOM 589 CD LYS A 38 9.541 12.175 0.214 1.00 0.00 C ATOM 590 CE LYS A 38 9.837 13.443 1.000 1.00 0.00 C ATOM 591 NZ LYS A 38 10.464 13.147 2.318 1.00 0.00 N ATOM 0 H LYS A 38 7.798 9.355 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 38 6.263 11.104 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.668 10.331 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.126 11.377 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.753 13.323 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.528 12.595 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.189 11.398 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.459 11.806 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.500 14.084 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.912 13.998 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.650 14.038 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.821 12.557 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.360 12.640 2.170 1.00 0.00 H new ATOM 605 N GLU A 39 5.448 12.397 -3.718 1.00 0.00 N ATOM 606 CA GLU A 39 5.015 13.451 -4.635 1.00 0.00 C ATOM 607 C GLU A 39 3.532 13.302 -4.954 1.00 0.00 C ATOM 608 O GLU A 39 3.084 12.228 -5.354 1.00 0.00 O ATOM 609 CB GLU A 39 5.834 13.408 -5.930 1.00 0.00 C ATOM 610 CG GLU A 39 6.907 14.483 -6.006 1.00 0.00 C ATOM 611 CD GLU A 39 6.807 15.320 -7.267 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.364 14.782 -8.303 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.171 16.514 -7.217 1.00 0.00 O ATOM 0 H GLU A 39 4.687 11.828 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 39 5.177 14.413 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.305 12.429 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.161 13.517 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.826 15.134 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.890 14.014 -5.963 1.00 0.00 H new ATOM 620 N MET A 40 2.769 14.378 -4.773 1.00 0.00 N ATOM 621 CA MET A 40 1.337 14.339 -5.043 1.00 0.00 C ATOM 622 C MET A 40 1.067 14.083 -6.514 1.00 0.00 C ATOM 623 O MET A 40 0.037 13.509 -6.866 1.00 0.00 O ATOM 624 CB MET A 40 0.664 15.637 -4.594 1.00 0.00 C ATOM 625 CG MET A 40 1.094 16.855 -5.394 1.00 0.00 C ATOM 626 SD MET A 40 0.107 17.091 -6.884 1.00 0.00 S ATOM 627 CE MET A 40 -0.028 18.877 -6.923 1.00 0.00 C ATOM 0 H MET A 40 3.116 15.279 -4.444 1.00 0.00 H new ATOM 0 HA MET A 40 0.912 13.515 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.417 15.523 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.888 15.807 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.016 17.743 -4.767 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.143 16.751 -5.671 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.613 19.179 -7.792 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.521 19.225 -6.015 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.968 19.316 -6.986 1.00 0.00 H new ATOM 637 N ASP A 41 2.000 14.477 -7.375 1.00 0.00 N ATOM 638 CA ASP A 41 1.839 14.239 -8.802 1.00 0.00 C ATOM 639 C ASP A 41 1.514 12.766 -9.010 1.00 0.00 C ATOM 640 O ASP A 41 0.708 12.399 -9.865 1.00 0.00 O ATOM 641 CB ASP A 41 3.113 14.618 -9.560 1.00 0.00 C ATOM 642 CG ASP A 41 2.822 15.400 -10.826 1.00 0.00 C ATOM 643 OD1 ASP A 41 1.718 15.236 -11.384 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.700 16.176 -11.259 1.00 0.00 O ATOM 0 H ASP A 41 2.862 14.955 -7.114 1.00 0.00 H new ATOM 0 HA ASP A 41 1.029 14.857 -9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.756 15.211 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.664 13.713 -9.814 1.00 0.00 H new ATOM 649 N GLN A 42 2.143 11.933 -8.187 1.00 0.00 N ATOM 650 CA GLN A 42 1.925 10.499 -8.226 1.00 0.00 C ATOM 651 C GLN A 42 0.752 10.100 -7.325 1.00 0.00 C ATOM 652 O GLN A 42 0.032 9.147 -7.625 1.00 0.00 O ATOM 653 CB GLN A 42 3.197 9.758 -7.805 1.00 0.00 C ATOM 654 CG GLN A 42 3.651 8.717 -8.818 1.00 0.00 C ATOM 655 CD GLN A 42 5.118 8.853 -9.180 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.941 8.015 -8.812 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.451 9.913 -9.908 1.00 0.00 N ATOM 0 H GLN A 42 2.813 12.235 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 42 1.677 10.218 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.998 10.482 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.024 9.270 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.472 7.721 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.048 8.808 -9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.735 10.583 -10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.422 10.057 -10.184 1.00 0.00 H new ATOM 666 N ILE A 43 0.568 10.819 -6.210 1.00 0.00 N ATOM 667 CA ILE A 43 -0.516 10.501 -5.279 1.00 0.00 C ATOM 668 C ILE A 43 -1.878 10.801 -5.888 1.00 0.00 C ATOM 669 O ILE A 43 -2.805 9.996 -5.799 1.00 0.00 O ATOM 670 CB ILE A 43 -0.386 11.213 -3.904 1.00 0.00 C ATOM 671 CG1 ILE A 43 -1.092 12.580 -3.911 1.00 0.00 C ATOM 672 CG2 ILE A 43 1.079 11.338 -3.490 1.00 0.00 C ATOM 673 CD1 ILE A 43 -0.799 13.430 -2.692 1.00 0.00 C ATOM 0 H ILE A 43 1.147 11.612 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.429 9.430 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.888 10.596 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.792 13.128 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.168 12.421 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.143 11.840 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.521 10.345 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.620 11.919 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.333 14.377 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.125 12.904 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.272 13.622 -2.631 1.00 0.00 H new ATOM 685 N LEU A 44 -1.987 11.958 -6.513 1.00 0.00 N ATOM 686 CA LEU A 44 -3.236 12.367 -7.145 1.00 0.00 C ATOM 687 C LEU A 44 -3.563 11.441 -8.312 1.00 0.00 C ATOM 688 O LEU A 44 -4.722 11.091 -8.534 1.00 0.00 O ATOM 689 CB LEU A 44 -3.157 13.834 -7.597 1.00 0.00 C ATOM 690 CG LEU A 44 -2.991 14.079 -9.103 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.417 15.494 -9.461 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.551 13.833 -9.527 1.00 0.00 C ATOM 0 H LEU A 44 -1.228 12.634 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.043 12.289 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.063 14.342 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.321 14.305 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.632 13.379 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.293 15.651 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.463 15.638 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.800 16.209 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.451 14.011 -10.598 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.891 14.509 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.277 12.802 -9.304 1.00 0.00 H new ATOM 704 N GLU A 45 -2.531 11.034 -9.044 1.00 0.00 N ATOM 705 CA GLU A 45 -2.711 10.134 -10.173 1.00 0.00 C ATOM 706 C GLU A 45 -3.318 8.815 -9.705 1.00 0.00 C ATOM 707 O GLU A 45 -3.930 8.088 -10.487 1.00 0.00 O ATOM 708 CB GLU A 45 -1.376 9.881 -10.876 1.00 0.00 C ATOM 709 CG GLU A 45 -1.491 9.811 -12.392 1.00 0.00 C ATOM 710 CD GLU A 45 -0.163 9.527 -13.067 1.00 0.00 C ATOM 711 OE1 GLU A 45 0.868 9.486 -12.363 1.00 0.00 O ATOM 712 OE2 GLU A 45 -0.153 9.345 -14.303 1.00 0.00 O ATOM 0 H GLU A 45 -1.565 11.313 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.393 10.603 -10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.678 10.674 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.952 8.946 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.205 9.033 -12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.890 10.754 -12.766 1.00 0.00 H new ATOM 719 N ALA A 46 -3.155 8.520 -8.415 1.00 0.00 N ATOM 720 CA ALA A 46 -3.700 7.304 -7.835 1.00 0.00 C ATOM 721 C ALA A 46 -5.193 7.464 -7.600 1.00 0.00 C ATOM 722 O ALA A 46 -5.965 6.517 -7.760 1.00 0.00 O ATOM 723 CB ALA A 46 -2.987 6.967 -6.533 1.00 0.00 C ATOM 0 H ALA A 46 -2.648 9.111 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.541 6.481 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.408 6.054 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.925 6.820 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.117 7.785 -5.825 1.00 0.00 H new ATOM 729 N GLY A 47 -5.599 8.677 -7.234 1.00 0.00 N ATOM 730 CA GLY A 47 -7.003 8.943 -7.000 1.00 0.00 C ATOM 731 C GLY A 47 -7.324 9.292 -5.558 1.00 0.00 C ATOM 732 O GLY A 47 -8.451 9.683 -5.255 1.00 0.00 O ATOM 0 H GLY A 47 -4.981 9.477 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.321 9.764 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.583 8.067 -7.291 1.00 0.00 H new ATOM 736 N LEU A 48 -6.350 9.150 -4.661 1.00 0.00 N ATOM 737 CA LEU A 48 -6.586 9.459 -3.256 1.00 0.00 C ATOM 738 C LEU A 48 -6.476 10.957 -2.984 1.00 0.00 C ATOM 739 O LEU A 48 -5.860 11.702 -3.747 1.00 0.00 O ATOM 740 CB LEU A 48 -5.635 8.668 -2.336 1.00 0.00 C ATOM 741 CG LEU A 48 -4.119 8.801 -2.588 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.605 7.617 -3.388 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.764 10.105 -3.283 1.00 0.00 C ATOM 0 H LEU A 48 -5.407 8.829 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.607 9.151 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.832 8.973 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.896 7.612 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.631 8.810 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.534 7.729 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.792 6.696 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.120 7.575 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.686 10.153 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.272 10.154 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.079 10.945 -2.663 1.00 0.00 H new ATOM 755 N THR A 49 -7.083 11.389 -1.885 1.00 0.00 N ATOM 756 CA THR A 49 -7.062 12.791 -1.491 1.00 0.00 C ATOM 757 C THR A 49 -6.304 12.968 -0.185 1.00 0.00 C ATOM 758 O THR A 49 -5.656 13.990 0.045 1.00 0.00 O ATOM 759 CB THR A 49 -8.487 13.354 -1.328 1.00 0.00 C ATOM 760 OG1 THR A 49 -8.429 14.716 -0.886 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.285 12.526 -0.332 1.00 0.00 C ATOM 0 H THR A 49 -7.599 10.783 -1.247 1.00 0.00 H new ATOM 0 HA THR A 49 -6.558 13.341 -2.285 1.00 0.00 H new ATOM 0 HB THR A 49 -8.985 13.308 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.339 15.067 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.288 12.942 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.353 11.497 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.787 12.544 0.638 1.00 0.00 H new ATOM 769 N ALA A 50 -6.383 11.952 0.659 1.00 0.00 N ATOM 770 CA ALA A 50 -5.701 11.962 1.946 1.00 0.00 C ATOM 771 C ALA A 50 -4.207 11.724 1.753 1.00 0.00 C ATOM 772 O ALA A 50 -3.680 11.935 0.662 1.00 0.00 O ATOM 773 CB ALA A 50 -6.300 10.911 2.870 1.00 0.00 C ATOM 0 H ALA A 50 -6.917 11.103 0.475 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.836 12.940 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.780 10.930 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.357 11.124 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.192 9.925 2.418 1.00 0.00 H new ATOM 779 N LEU A 51 -3.522 11.297 2.811 1.00 0.00 N ATOM 780 CA LEU A 51 -2.089 11.054 2.722 1.00 0.00 C ATOM 781 C LEU A 51 -1.758 9.567 2.596 1.00 0.00 C ATOM 782 O LEU A 51 -1.078 9.163 1.655 1.00 0.00 O ATOM 783 CB LEU A 51 -1.365 11.659 3.930 1.00 0.00 C ATOM 784 CG LEU A 51 -0.528 12.906 3.632 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.408 12.658 2.458 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.432 14.099 3.356 1.00 0.00 C ATOM 0 H LEU A 51 -3.931 11.115 3.727 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.739 11.542 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.106 11.911 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.714 10.899 4.361 1.00 0.00 H new ATOM 0 HG LEU A 51 0.080 13.130 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.993 13.557 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.079 11.832 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.177 12.407 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.821 14.977 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.066 13.884 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.057 14.292 4.228 1.00 0.00 H new ATOM 798 N PRO A 52 -2.213 8.734 3.546 1.00 0.00 N ATOM 799 CA PRO A 52 -1.934 7.291 3.530 1.00 0.00 C ATOM 800 C PRO A 52 -2.576 6.557 2.351 1.00 0.00 C ATOM 801 O PRO A 52 -3.342 5.612 2.547 1.00 0.00 O ATOM 802 CB PRO A 52 -2.533 6.787 4.854 1.00 0.00 C ATOM 803 CG PRO A 52 -2.756 8.007 5.683 1.00 0.00 C ATOM 804 CD PRO A 52 -3.011 9.124 4.715 1.00 0.00 C ATOM 0 HA PRO A 52 -0.866 7.104 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.468 6.253 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.856 6.093 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.603 7.872 6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.887 8.220 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.069 9.213 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.695 10.087 5.117 1.00 0.00 H new ATOM 812 N GLY A 53 -2.255 6.975 1.127 1.00 0.00 N ATOM 813 CA GLY A 53 -2.812 6.315 -0.041 1.00 0.00 C ATOM 814 C GLY A 53 -1.963 5.146 -0.496 1.00 0.00 C ATOM 815 O GLY A 53 -0.739 5.245 -0.549 1.00 0.00 O ATOM 0 H GLY A 53 -1.625 7.752 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.818 5.964 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.902 7.035 -0.855 1.00 0.00 H new ATOM 819 N LEU A 54 -2.611 4.032 -0.822 1.00 0.00 N ATOM 820 CA LEU A 54 -1.900 2.840 -1.271 1.00 0.00 C ATOM 821 C LEU A 54 -2.626 2.186 -2.438 1.00 0.00 C ATOM 822 O LEU A 54 -3.744 1.693 -2.287 1.00 0.00 O ATOM 823 CB LEU A 54 -1.757 1.840 -0.119 1.00 0.00 C ATOM 824 CG LEU A 54 -0.879 0.620 -0.415 1.00 0.00 C ATOM 825 CD1 LEU A 54 -1.591 -0.344 -1.352 1.00 0.00 C ATOM 826 CD2 LEU A 54 0.455 1.050 -1.003 1.00 0.00 C ATOM 0 H LEU A 54 -3.625 3.930 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.907 3.142 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.345 2.362 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.751 1.492 0.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.689 0.102 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.948 -1.202 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.518 -0.683 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.817 0.161 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.064 0.169 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.285 1.595 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.974 1.694 -0.294 1.00 0.00 H new ATOM 838 N ALA A 55 -1.986 2.179 -3.603 1.00 0.00 N ATOM 839 CA ALA A 55 -2.583 1.576 -4.787 1.00 0.00 C ATOM 840 C ALA A 55 -1.861 0.292 -5.169 1.00 0.00 C ATOM 841 O ALA A 55 -0.635 0.261 -5.254 1.00 0.00 O ATOM 842 CB ALA A 55 -2.564 2.558 -5.951 1.00 0.00 C ATOM 0 H ALA A 55 -1.060 2.581 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.618 1.328 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.014 2.092 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.130 3.450 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.534 2.836 -6.176 1.00 0.00 H new ATOM 848 N VAL A 56 -2.625 -0.764 -5.406 1.00 0.00 N ATOM 849 CA VAL A 56 -2.049 -2.043 -5.788 1.00 0.00 C ATOM 850 C VAL A 56 -2.515 -2.458 -7.168 1.00 0.00 C ATOM 851 O VAL A 56 -3.675 -2.266 -7.532 1.00 0.00 O ATOM 852 CB VAL A 56 -2.386 -3.153 -4.781 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.294 -3.233 -3.736 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.745 -2.918 -4.137 1.00 0.00 C ATOM 0 H VAL A 56 -3.643 -0.760 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.968 -1.906 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.441 -4.105 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.532 -4.020 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.343 -3.457 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.219 -2.279 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.956 -3.720 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.739 -1.963 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.515 -2.903 -4.908 1.00 0.00 H new ATOM 864 N ASP A 57 -1.593 -3.016 -7.940 1.00 0.00 N ATOM 865 CA ASP A 57 -1.891 -3.451 -9.301 1.00 0.00 C ATOM 866 C ASP A 57 -2.662 -2.368 -10.055 1.00 0.00 C ATOM 867 O ASP A 57 -3.440 -2.661 -10.963 1.00 0.00 O ATOM 868 CB ASP A 57 -2.696 -4.753 -9.279 1.00 0.00 C ATOM 869 CG ASP A 57 -1.886 -5.941 -9.759 1.00 0.00 C ATOM 870 OD1 ASP A 57 -0.641 -5.890 -9.659 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.494 -6.923 -10.235 1.00 0.00 O ATOM 0 H ASP A 57 -0.629 -3.179 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.948 -3.629 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.048 -4.942 -8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.580 -4.641 -9.907 1.00 0.00 H new ATOM 876 N GLY A 58 -2.444 -1.114 -9.663 1.00 0.00 N ATOM 877 CA GLY A 58 -3.127 -0.004 -10.300 1.00 0.00 C ATOM 878 C GLY A 58 -4.560 0.143 -9.823 1.00 0.00 C ATOM 879 O GLY A 58 -5.464 0.389 -10.620 1.00 0.00 O ATOM 0 H GLY A 58 -1.805 -0.849 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.583 0.919 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.119 -0.148 -11.380 1.00 0.00 H new ATOM 883 N GLU A 59 -4.767 -0.011 -8.518 1.00 0.00 N ATOM 884 CA GLU A 59 -6.101 0.104 -7.939 1.00 0.00 C ATOM 885 C GLU A 59 -6.038 0.638 -6.510 1.00 0.00 C ATOM 886 O GLU A 59 -5.750 -0.103 -5.571 1.00 0.00 O ATOM 887 CB GLU A 59 -6.804 -1.257 -7.959 1.00 0.00 C ATOM 888 CG GLU A 59 -8.171 -1.224 -8.620 1.00 0.00 C ATOM 889 CD GLU A 59 -9.266 -0.771 -7.673 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.966 0.024 -6.757 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.421 -1.213 -7.846 1.00 0.00 O ATOM 0 H GLU A 59 -4.030 -0.215 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.670 0.812 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.173 -1.975 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.913 -1.616 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.139 -0.554 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.411 -2.217 -8.999 1.00 0.00 H new ATOM 898 N LEU A 60 -6.314 1.929 -6.355 1.00 0.00 N ATOM 899 CA LEU A 60 -6.295 2.566 -5.041 1.00 0.00 C ATOM 900 C LEU A 60 -7.446 2.064 -4.176 1.00 0.00 C ATOM 901 O LEU A 60 -8.602 2.077 -4.600 1.00 0.00 O ATOM 902 CB LEU A 60 -6.383 4.087 -5.188 1.00 0.00 C ATOM 903 CG LEU A 60 -5.529 4.882 -4.202 1.00 0.00 C ATOM 904 CD1 LEU A 60 -5.960 4.597 -2.771 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.059 4.549 -4.392 1.00 0.00 C ATOM 0 H LEU A 60 -6.554 2.556 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.356 2.306 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.086 4.357 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.424 4.389 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.673 5.945 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.340 5.172 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.005 4.881 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.844 3.534 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.461 5.122 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.902 3.484 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.757 4.801 -5.409 1.00 0.00 H new ATOM 917 N LYS A 61 -7.128 1.616 -2.963 1.00 0.00 N ATOM 918 CA LYS A 61 -8.152 1.108 -2.056 1.00 0.00 C ATOM 919 C LYS A 61 -7.834 1.412 -0.590 1.00 0.00 C ATOM 920 O LYS A 61 -8.527 0.932 0.307 1.00 0.00 O ATOM 921 CB LYS A 61 -8.322 -0.400 -2.247 1.00 0.00 C ATOM 922 CG LYS A 61 -9.775 -0.837 -2.366 1.00 0.00 C ATOM 923 CD LYS A 61 -9.950 -1.902 -3.437 1.00 0.00 C ATOM 924 CE LYS A 61 -11.389 -2.393 -3.506 1.00 0.00 C ATOM 925 NZ LYS A 61 -11.518 -3.801 -3.039 1.00 0.00 N ATOM 0 H LYS A 61 -6.179 1.595 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.082 1.620 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.784 -0.708 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.863 -0.919 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.120 -1.224 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.397 0.026 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.656 -1.497 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.288 -2.742 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.022 -1.749 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.750 -2.316 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.513 -4.098 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.934 -4.420 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.198 -3.870 -2.052 1.00 0.00 H new ATOM 939 N ILE A 62 -6.796 2.209 -0.338 1.00 0.00 N ATOM 940 CA ILE A 62 -6.426 2.552 1.032 1.00 0.00 C ATOM 941 C ILE A 62 -5.929 3.989 1.114 1.00 0.00 C ATOM 942 O ILE A 62 -4.859 4.309 0.602 1.00 0.00 O ATOM 943 CB ILE A 62 -5.331 1.613 1.577 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.650 0.156 1.228 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.187 1.787 3.082 1.00 0.00 C ATOM 946 CD1 ILE A 62 -6.845 -0.402 1.972 1.00 0.00 C ATOM 0 H ILE A 62 -6.203 2.625 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.323 2.438 1.640 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.383 1.875 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.833 0.080 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.778 -0.460 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.411 1.118 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.914 2.819 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.133 1.549 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.009 -1.437 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.658 -0.360 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.730 0.189 1.735 1.00 0.00 H new ATOM 958 N MET A 63 -6.715 4.852 1.751 1.00 0.00 N ATOM 959 CA MET A 63 -6.350 6.259 1.884 1.00 0.00 C ATOM 960 C MET A 63 -6.820 6.835 3.215 1.00 0.00 C ATOM 961 O MET A 63 -7.914 6.526 3.687 1.00 0.00 O ATOM 962 CB MET A 63 -6.945 7.055 0.714 1.00 0.00 C ATOM 963 CG MET A 63 -7.117 8.546 0.982 1.00 0.00 C ATOM 964 SD MET A 63 -8.695 9.179 0.383 1.00 0.00 S ATOM 965 CE MET A 63 -9.840 8.177 1.327 1.00 0.00 C ATOM 0 H MET A 63 -7.605 4.603 2.182 1.00 0.00 H new ATOM 0 HA MET A 63 -5.263 6.337 1.861 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.304 6.928 -0.158 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.916 6.631 0.460 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.039 8.730 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.305 9.094 0.504 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.777 8.719 1.456 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.030 7.244 0.796 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.411 7.957 2.304 1.00 0.00 H new ATOM 975 N GLY A 64 -5.987 7.690 3.810 1.00 0.00 N ATOM 976 CA GLY A 64 -6.349 8.310 5.074 1.00 0.00 C ATOM 977 C GLY A 64 -6.414 7.321 6.216 1.00 0.00 C ATOM 978 O GLY A 64 -6.905 7.643 7.297 1.00 0.00 O ATOM 0 H GLY A 64 -5.075 7.962 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.623 9.087 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.317 8.800 4.969 1.00 0.00 H new ATOM 982 N ARG A 65 -5.918 6.117 5.977 1.00 0.00 N ATOM 983 CA ARG A 65 -5.923 5.077 6.996 1.00 0.00 C ATOM 984 C ARG A 65 -5.255 3.815 6.476 1.00 0.00 C ATOM 985 O ARG A 65 -5.842 3.067 5.693 1.00 0.00 O ATOM 986 CB ARG A 65 -7.355 4.766 7.439 1.00 0.00 C ATOM 987 CG ARG A 65 -7.444 3.678 8.496 1.00 0.00 C ATOM 988 CD ARG A 65 -6.538 3.976 9.683 1.00 0.00 C ATOM 989 NE ARG A 65 -7.122 3.522 10.943 1.00 0.00 N ATOM 990 CZ ARG A 65 -8.077 4.178 11.596 1.00 0.00 C ATOM 991 NH1 ARG A 65 -8.558 5.317 11.112 1.00 0.00 N ATOM 992 NH2 ARG A 65 -8.554 3.695 12.734 1.00 0.00 N ATOM 0 H ARG A 65 -5.507 5.835 5.087 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.361 5.442 7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.812 5.676 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.938 4.464 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.475 3.585 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.167 2.720 8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.574 3.490 9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.350 5.048 9.736 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.777 2.651 11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.195 5.692 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.290 5.817 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.189 2.820 13.109 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.286 4.198 13.235 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.026 3.582 6.913 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.279 2.410 6.488 1.00 0.00 C ATOM 1008 C VAL A 66 -4.058 1.131 6.803 1.00 0.00 C ATOM 1009 O VAL A 66 -4.747 1.048 7.820 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.882 2.368 7.158 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.491 0.956 7.582 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -0.836 2.949 6.223 1.00 0.00 C ATOM 0 H VAL A 66 -3.526 4.190 7.562 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.138 2.475 5.409 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.934 2.974 8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.505 0.975 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.221 0.575 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.467 0.307 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.141 2.914 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.808 2.367 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.090 3.983 5.991 1.00 0.00 H new ATOM 1022 N ALA A 67 -3.943 0.141 5.926 1.00 0.00 N ATOM 1023 CA ALA A 67 -4.636 -1.128 6.111 1.00 0.00 C ATOM 1024 C ALA A 67 -3.916 -2.003 7.131 1.00 0.00 C ATOM 1025 O ALA A 67 -2.690 -1.965 7.242 1.00 0.00 O ATOM 1026 CB ALA A 67 -4.764 -1.859 4.784 1.00 0.00 C ATOM 0 H ALA A 67 -3.376 0.193 5.080 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.634 -0.915 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.284 -2.805 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.329 -1.245 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.771 -2.052 4.378 1.00 0.00 H new ATOM 1032 N SER A 68 -4.686 -2.792 7.873 1.00 0.00 N ATOM 1033 CA SER A 68 -4.122 -3.679 8.885 1.00 0.00 C ATOM 1034 C SER A 68 -3.802 -5.046 8.291 1.00 0.00 C ATOM 1035 O SER A 68 -4.210 -5.360 7.173 1.00 0.00 O ATOM 1036 CB SER A 68 -5.092 -3.833 10.057 1.00 0.00 C ATOM 1037 OG SER A 68 -6.174 -4.683 9.716 1.00 0.00 O ATOM 0 H SER A 68 -5.702 -2.836 7.793 1.00 0.00 H new ATOM 0 HA SER A 68 -3.195 -3.234 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.564 -4.240 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.473 -2.854 10.349 1.00 0.00 H new ATOM 0 HG SER A 68 -6.779 -4.766 10.483 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.067 -5.856 9.047 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.689 -7.193 8.596 1.00 0.00 C ATOM 1045 C LYS A 69 -3.920 -8.015 8.217 1.00 0.00 C ATOM 1046 O LYS A 69 -3.915 -8.728 7.214 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.895 -7.915 9.686 1.00 0.00 C ATOM 1048 CG LYS A 69 -2.589 -7.925 11.040 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.596 -7.746 12.178 1.00 0.00 C ATOM 1050 CE LYS A 69 -0.701 -8.964 12.333 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.145 -9.074 13.710 1.00 0.00 N ATOM 0 H LYS A 69 -2.721 -5.611 9.975 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.064 -7.084 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.715 -8.943 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.920 -7.438 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.331 -7.128 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.125 -8.865 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.983 -6.864 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.135 -7.569 13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.269 -9.864 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.117 -8.907 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.460 -9.918 13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.419 -8.227 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.925 -9.154 14.394 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.970 -7.912 9.025 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.205 -8.646 8.773 1.00 0.00 C ATOM 1067 C GLU A 70 -6.922 -8.102 7.541 1.00 0.00 C ATOM 1068 O GLU A 70 -7.458 -8.863 6.737 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.127 -8.564 9.991 1.00 0.00 C ATOM 1070 CG GLU A 70 -8.200 -9.640 10.015 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.693 -10.957 10.572 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -6.847 -10.927 11.491 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -8.139 -12.018 10.088 1.00 0.00 O ATOM 0 H GLU A 70 -4.990 -7.327 9.860 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.947 -9.689 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.526 -8.642 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.606 -7.585 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.042 -9.295 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.574 -9.798 9.003 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.928 -6.781 7.401 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.581 -6.134 6.269 1.00 0.00 C ATOM 1082 C GLU A 71 -6.905 -6.517 4.955 1.00 0.00 C ATOM 1083 O GLU A 71 -7.574 -6.844 3.975 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.560 -4.614 6.440 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.351 -4.127 7.645 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.808 -3.866 7.318 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.113 -3.593 6.138 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.645 -3.934 8.243 1.00 0.00 O ATOM 0 H GLU A 71 -6.488 -6.137 8.058 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.615 -6.476 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.526 -4.282 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.962 -4.150 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.288 -4.869 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.898 -3.212 8.027 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.578 -6.470 4.941 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.814 -6.811 3.746 1.00 0.00 C ATOM 1097 C ILE A 72 -4.972 -8.287 3.395 1.00 0.00 C ATOM 1098 O ILE A 72 -5.279 -8.634 2.256 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.316 -6.493 3.923 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.130 -5.051 4.401 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.567 -6.722 2.619 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -1.906 -4.857 5.270 1.00 0.00 C ATOM 0 H ILE A 72 -5.009 -6.199 5.743 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.211 -6.202 2.934 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.906 -7.163 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.058 -4.395 3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.015 -4.745 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.511 -6.493 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.675 -7.763 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.978 -6.074 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.836 -3.812 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.985 -5.487 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.013 -5.132 4.708 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.761 -9.152 4.384 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.882 -10.591 4.177 1.00 0.00 C ATOM 1116 C LYS A 73 -6.273 -10.954 3.669 1.00 0.00 C ATOM 1117 O LYS A 73 -6.439 -11.911 2.911 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.591 -11.340 5.479 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.323 -12.824 5.280 1.00 0.00 C ATOM 1120 CD LYS A 73 -5.149 -13.674 6.232 1.00 0.00 C ATOM 1121 CE LYS A 73 -6.569 -13.864 5.722 1.00 0.00 C ATOM 1122 NZ LYS A 73 -7.489 -14.326 6.797 1.00 0.00 N ATOM 0 H LYS A 73 -4.506 -8.882 5.334 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.152 -10.887 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.728 -10.885 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.438 -11.219 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.553 -13.101 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.263 -13.027 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.674 -14.647 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.174 -13.202 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.935 -12.924 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.568 -14.589 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.446 -14.443 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.154 -15.236 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.510 -13.622 7.562 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.270 -10.184 4.091 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.648 -10.424 3.680 1.00 0.00 C ATOM 1138 C LYS A 74 -8.855 -10.043 2.217 1.00 0.00 C ATOM 1139 O LYS A 74 -9.567 -10.728 1.482 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.612 -9.632 4.568 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.416 -10.503 5.521 1.00 0.00 C ATOM 1142 CD LYS A 74 -11.410 -11.376 4.774 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.768 -12.619 5.571 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.033 -13.789 4.687 1.00 0.00 N ATOM 0 H LYS A 74 -7.149 -9.388 4.718 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.854 -11.489 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.044 -8.903 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.299 -9.071 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.739 -11.133 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.948 -9.871 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.314 -10.803 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.988 -11.668 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.954 -12.858 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.649 -12.418 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.274 -14.617 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.826 -13.571 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.184 -13.997 4.123 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.225 -8.949 1.800 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.337 -8.479 0.427 1.00 0.00 C ATOM 1160 C ILE A 75 -7.493 -9.343 -0.504 1.00 0.00 C ATOM 1161 O ILE A 75 -7.892 -9.635 -1.631 1.00 0.00 O ATOM 1162 CB ILE A 75 -7.904 -7.000 0.305 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -8.983 -6.085 0.885 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.618 -6.633 -1.144 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -8.432 -4.825 1.517 1.00 0.00 C ATOM 0 H ILE A 75 -7.631 -8.372 2.396 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.384 -8.556 0.135 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.984 -6.865 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.679 -5.810 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.553 -6.637 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.316 -5.587 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.817 -7.264 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.517 -6.784 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.254 -4.224 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.758 -5.091 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.886 -4.251 0.768 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.322 -9.742 -0.023 1.00 0.00 N ATOM 1178 CA LEU A 76 -5.417 -10.566 -0.808 1.00 0.00 C ATOM 1179 C LEU A 76 -6.037 -11.928 -1.106 1.00 0.00 C ATOM 1180 O LEU A 76 -6.111 -12.348 -2.262 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.085 -10.742 -0.072 1.00 0.00 C ATOM 1182 CG LEU A 76 -2.886 -10.060 -0.732 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -3.113 -8.558 -0.830 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -1.611 -10.360 0.041 1.00 0.00 C ATOM 0 H LEU A 76 -5.978 -9.507 0.908 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.234 -10.060 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.193 -10.353 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.874 -11.808 0.016 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.777 -10.456 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.249 -8.090 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.004 -8.363 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.249 -8.145 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.768 -9.867 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.710 -9.992 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.441 -11.436 0.058 1.00 0.00 H new ATOM 1196 N SER A 77 -6.481 -12.612 -0.058 1.00 0.00 N ATOM 1197 CA SER A 77 -7.095 -13.926 -0.207 1.00 0.00 C ATOM 1198 C SER A 77 -7.924 -14.282 1.023 1.00 0.00 C ATOM 1199 O SER A 77 -8.289 -13.356 1.777 1.00 0.00 O ATOM 1200 CB SER A 77 -6.021 -14.991 -0.439 1.00 0.00 C ATOM 1201 OG SER A 77 -6.449 -15.950 -1.389 1.00 0.00 O ATOM 1202 OXT SER A 77 -8.202 -15.484 1.221 1.00 0.00 O ATOM 0 H SER A 77 -6.427 -12.278 0.904 1.00 0.00 H new ATOM 0 HA SER A 77 -7.757 -13.894 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.103 -14.516 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.787 -15.487 0.503 1.00 0.00 H new ATOM 0 HG SER A 77 -5.744 -16.618 -1.520 1.00 0.00 H new TER 1208 SER A 77