USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 598 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -6.35! C(o=-6.4!,f=-7.9!) USER MOD Single : A 25 ASN : amide:sc= -0.0858 K(o=-0.086,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -100:sc= -1.25 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -1.52! USER MOD Single : A 43 THR OG1 : rot -55:sc= -2.25! USER MOD Single : A 49 MET CE :methyl 149:sc= -0.193 (180deg=-0.984) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.49! K(o=-2.5!,f=-5) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -142:sc= -0.135 (180deg=-0.618) USER MOD Single : A 62 SER OG : rot -77:sc= -0.274 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.5!) USER MOD Single : A 76 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : A 83 MET CE :methyl -142:sc= -3.31! (180deg=-6.48!) USER MOD Single : A 86 ASN : amide:sc= -0.0485 X(o=-0.049,f=-0.13) USER MOD Single : A 92 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.939 1.522 -1.136 1.00 0.00 N ATOM 18 CA THR A 22 5.319 1.918 -0.913 1.00 0.00 C ATOM 19 C THR A 22 5.412 3.431 -0.700 1.00 0.00 C ATOM 20 O THR A 22 4.644 4.192 -1.286 1.00 0.00 O ATOM 21 CB THR A 22 6.152 1.419 -2.096 1.00 0.00 C ATOM 22 OG1 THR A 22 7.448 1.209 -1.543 1.00 0.00 O ATOM 23 CG2 THR A 22 6.370 2.501 -3.156 1.00 0.00 C ATOM 0 HA THR A 22 5.717 1.468 -0.004 1.00 0.00 H new ATOM 0 HB THR A 22 5.659 0.560 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.053 0.883 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.967 2.095 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.406 2.833 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.893 3.347 -2.710 1.00 0.00 H new ATOM 31 N HIS A 23 6.358 3.820 0.141 1.00 0.00 N ATOM 32 CA HIS A 23 6.561 5.228 0.439 1.00 0.00 C ATOM 33 C HIS A 23 7.554 5.826 -0.560 1.00 0.00 C ATOM 34 O HIS A 23 8.686 5.359 -0.671 1.00 0.00 O ATOM 35 CB HIS A 23 6.997 5.418 1.893 1.00 0.00 C ATOM 36 CG HIS A 23 6.004 4.897 2.905 1.00 0.00 C ATOM 37 ND1 HIS A 23 4.673 4.671 2.601 1.00 0.00 N ATOM 38 CD2 HIS A 23 6.162 4.560 4.217 1.00 0.00 C ATOM 39 CE1 HIS A 23 4.066 4.220 3.689 1.00 0.00 C ATOM 40 NE2 HIS A 23 4.991 4.152 4.689 1.00 0.00 N ATOM 0 H HIS A 23 6.993 3.185 0.626 1.00 0.00 H new ATOM 0 HA HIS A 23 5.619 5.766 0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.952 4.915 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.164 6.480 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.084 4.616 4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.023 3.953 3.770 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.812 3.839 5.643 1.00 0.00 H new ATOM 48 N ILE A 24 7.093 6.851 -1.262 1.00 0.00 N ATOM 49 CA ILE A 24 7.926 7.518 -2.248 1.00 0.00 C ATOM 50 C ILE A 24 7.426 8.950 -2.447 1.00 0.00 C ATOM 51 O ILE A 24 6.464 9.371 -1.805 1.00 0.00 O ATOM 52 CB ILE A 24 7.984 6.702 -3.541 1.00 0.00 C ATOM 53 CG1 ILE A 24 6.634 6.721 -4.262 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.468 5.276 -3.268 1.00 0.00 C ATOM 55 CD1 ILE A 24 6.752 6.113 -5.661 1.00 0.00 C ATOM 0 H ILE A 24 6.153 7.236 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 24 8.955 7.585 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 24 8.711 7.167 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.899 6.165 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.272 7.746 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.500 4.717 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.466 5.308 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.783 4.786 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.779 6.138 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.470 6.686 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.091 5.080 -5.581 1.00 0.00 H new ATOM 67 N ASN A 25 8.102 9.660 -3.338 1.00 0.00 N ATOM 68 CA ASN A 25 7.738 11.037 -3.629 1.00 0.00 C ATOM 69 C ASN A 25 6.821 11.069 -4.854 1.00 0.00 C ATOM 70 O ASN A 25 6.817 10.136 -5.656 1.00 0.00 O ATOM 71 CB ASN A 25 8.976 11.879 -3.943 1.00 0.00 C ATOM 72 CG ASN A 25 9.541 11.531 -5.321 1.00 0.00 C ATOM 73 OD1 ASN A 25 9.517 10.393 -5.762 1.00 0.00 O ATOM 74 ND2 ASN A 25 10.051 12.571 -5.976 1.00 0.00 N ATOM 0 H ASN A 25 8.899 9.308 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 25 7.237 11.446 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.718 12.938 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.737 11.711 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.453 12.442 -6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.040 13.498 -5.550 1.00 0.00 H new ATOM 81 N LEU A 26 6.067 12.153 -4.961 1.00 0.00 N ATOM 82 CA LEU A 26 5.149 12.320 -6.074 1.00 0.00 C ATOM 83 C LEU A 26 5.366 13.695 -6.708 1.00 0.00 C ATOM 84 O LEU A 26 5.655 14.666 -6.010 1.00 0.00 O ATOM 85 CB LEU A 26 3.708 12.072 -5.622 1.00 0.00 C ATOM 86 CG LEU A 26 2.622 12.810 -6.408 1.00 0.00 C ATOM 87 CD1 LEU A 26 1.587 11.830 -6.964 1.00 0.00 C ATOM 88 CD2 LEU A 26 1.976 13.904 -5.555 1.00 0.00 C ATOM 0 H LEU A 26 6.073 12.925 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 26 5.349 11.578 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.508 11.002 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.624 12.354 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 26 3.091 13.301 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.826 12.380 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.079 11.120 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.118 11.291 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.208 14.413 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.524 13.456 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.736 14.623 -5.249 1.00 0.00 H new ATOM 100 N LYS A 27 5.219 13.734 -8.024 1.00 0.00 N ATOM 101 CA LYS A 27 5.396 14.975 -8.760 1.00 0.00 C ATOM 102 C LYS A 27 4.263 15.126 -9.776 1.00 0.00 C ATOM 103 O LYS A 27 4.134 14.316 -10.693 1.00 0.00 O ATOM 104 CB LYS A 27 6.793 15.033 -9.383 1.00 0.00 C ATOM 105 CG LYS A 27 7.165 16.469 -9.759 1.00 0.00 C ATOM 106 CD LYS A 27 6.451 16.903 -11.041 1.00 0.00 C ATOM 107 CE LYS A 27 7.456 17.178 -12.162 1.00 0.00 C ATOM 108 NZ LYS A 27 7.556 18.631 -12.423 1.00 0.00 N ATOM 0 H LYS A 27 4.979 12.927 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 27 5.336 15.830 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.525 14.636 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.826 14.400 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.899 17.143 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.244 16.545 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.755 16.125 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.862 17.800 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.434 16.784 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.148 16.660 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.242 18.800 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.625 18.998 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.871 19.118 -11.560 1.00 0.00 H new ATOM 121 N VAL A 28 3.469 16.168 -9.579 1.00 0.00 N ATOM 122 CA VAL A 28 2.350 16.436 -10.467 1.00 0.00 C ATOM 123 C VAL A 28 2.707 17.600 -11.393 1.00 0.00 C ATOM 124 O VAL A 28 2.984 18.705 -10.929 1.00 0.00 O ATOM 125 CB VAL A 28 1.082 16.690 -9.649 1.00 0.00 C ATOM 126 CG1 VAL A 28 1.004 15.741 -8.451 1.00 0.00 C ATOM 127 CG2 VAL A 28 1.004 18.150 -9.198 1.00 0.00 C ATOM 0 H VAL A 28 3.578 16.837 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 28 2.146 15.570 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 28 0.223 16.491 -10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.094 15.942 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.992 14.710 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.871 15.894 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.094 18.304 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.871 18.387 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.992 18.801 -10.072 1.00 0.00 H new ATOM 137 N SER A 29 2.689 17.313 -12.686 1.00 0.00 N ATOM 138 CA SER A 29 3.007 18.322 -13.682 1.00 0.00 C ATOM 139 C SER A 29 1.763 18.652 -14.509 1.00 0.00 C ATOM 140 O SER A 29 0.927 17.783 -14.752 1.00 0.00 O ATOM 141 CB SER A 29 4.143 17.857 -14.595 1.00 0.00 C ATOM 142 OG SER A 29 4.410 18.793 -15.635 1.00 0.00 O ATOM 0 H SER A 29 2.459 16.395 -13.067 1.00 0.00 H new ATOM 0 HA SER A 29 3.339 19.221 -13.163 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.045 17.706 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.884 16.893 -15.033 1.00 0.00 H new ATOM 0 HG SER A 29 5.142 18.460 -16.195 1.00 0.00 H new ATOM 148 N ASP A 30 1.680 19.909 -14.919 1.00 0.00 N ATOM 149 CA ASP A 30 0.552 20.364 -15.714 1.00 0.00 C ATOM 150 C ASP A 30 0.922 21.672 -16.416 1.00 0.00 C ATOM 151 O ASP A 30 1.909 22.314 -16.058 1.00 0.00 O ATOM 152 CB ASP A 30 -0.671 20.629 -14.834 1.00 0.00 C ATOM 153 CG ASP A 30 -1.609 21.725 -15.344 1.00 0.00 C ATOM 154 OD1 ASP A 30 -1.211 22.890 -15.489 1.00 0.00 O ATOM 155 OD2 ASP A 30 -2.812 21.337 -15.600 1.00 0.00 O ATOM 0 H ASP A 30 2.376 20.627 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 30 0.314 19.584 -16.437 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.238 19.703 -14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.329 20.900 -13.835 1.00 0.00 H new ATOM 161 N GLY A 31 0.112 22.027 -17.402 1.00 0.00 N ATOM 162 CA GLY A 31 0.342 23.247 -18.157 1.00 0.00 C ATOM 163 C GLY A 31 1.212 24.226 -17.365 1.00 0.00 C ATOM 164 O GLY A 31 2.377 24.437 -17.699 1.00 0.00 O ATOM 0 H GLY A 31 -0.705 21.491 -17.696 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.827 23.007 -19.103 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.612 23.715 -18.398 1.00 0.00 H new ATOM 168 N SER A 32 0.613 24.798 -16.331 1.00 0.00 N ATOM 169 CA SER A 32 1.318 25.749 -15.489 1.00 0.00 C ATOM 170 C SER A 32 1.315 25.266 -14.038 1.00 0.00 C ATOM 171 O SER A 32 1.916 25.896 -13.169 1.00 0.00 O ATOM 172 CB SER A 32 0.691 27.141 -15.587 1.00 0.00 C ATOM 173 OG SER A 32 1.668 28.151 -15.825 1.00 0.00 O ATOM 0 H SER A 32 -0.353 24.621 -16.057 1.00 0.00 H new ATOM 0 HA SER A 32 2.348 25.819 -15.839 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.045 27.151 -16.391 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.157 27.364 -14.663 1.00 0.00 H new ATOM 0 HG SER A 32 1.228 29.025 -15.883 1.00 0.00 H new ATOM 179 N SER A 33 0.630 24.153 -13.819 1.00 0.00 N ATOM 180 CA SER A 33 0.541 23.578 -12.488 1.00 0.00 C ATOM 181 C SER A 33 1.619 22.508 -12.306 1.00 0.00 C ATOM 182 O SER A 33 1.518 21.419 -12.868 1.00 0.00 O ATOM 183 CB SER A 33 -0.846 22.983 -12.237 1.00 0.00 C ATOM 184 OG SER A 33 -0.821 21.980 -11.224 1.00 0.00 O ATOM 0 H SER A 33 0.131 23.634 -14.542 1.00 0.00 H new ATOM 0 HA SER A 33 0.703 24.374 -11.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.534 23.777 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.230 22.554 -13.163 1.00 0.00 H new ATOM 0 HG SER A 33 -0.817 21.093 -11.642 1.00 0.00 H new ATOM 190 N GLU A 34 2.626 22.856 -11.518 1.00 0.00 N ATOM 191 CA GLU A 34 3.722 21.939 -11.256 1.00 0.00 C ATOM 192 C GLU A 34 4.119 21.996 -9.779 1.00 0.00 C ATOM 193 O GLU A 34 4.727 22.967 -9.333 1.00 0.00 O ATOM 194 CB GLU A 34 4.920 22.243 -12.157 1.00 0.00 C ATOM 195 CG GLU A 34 5.206 23.746 -12.200 1.00 0.00 C ATOM 196 CD GLU A 34 5.028 24.298 -13.616 1.00 0.00 C ATOM 197 OE1 GLU A 34 3.905 24.304 -14.142 1.00 0.00 O ATOM 198 OE2 GLU A 34 6.108 24.733 -14.171 1.00 0.00 O ATOM 0 H GLU A 34 2.706 23.760 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 34 3.386 20.928 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.799 21.712 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.724 21.877 -13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.536 24.267 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.223 23.936 -11.857 1.00 0.00 H new ATOM 206 N ILE A 35 3.758 20.942 -9.062 1.00 0.00 N ATOM 207 CA ILE A 35 4.069 20.859 -7.645 1.00 0.00 C ATOM 208 C ILE A 35 4.731 19.512 -7.350 1.00 0.00 C ATOM 209 O ILE A 35 4.426 18.511 -7.997 1.00 0.00 O ATOM 210 CB ILE A 35 2.818 21.126 -6.805 1.00 0.00 C ATOM 211 CG1 ILE A 35 3.054 22.270 -5.817 1.00 0.00 C ATOM 212 CG2 ILE A 35 2.345 19.851 -6.104 1.00 0.00 C ATOM 213 CD1 ILE A 35 4.270 21.988 -4.932 1.00 0.00 C ATOM 0 H ILE A 35 3.253 20.138 -9.436 1.00 0.00 H new ATOM 0 HA ILE A 35 4.784 21.634 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 35 2.018 21.440 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.205 23.201 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.170 22.405 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.455 20.069 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.109 19.092 -6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.134 19.482 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.416 22.817 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.105 21.069 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.157 21.877 -5.556 1.00 0.00 H new ATOM 225 N PHE A 36 5.624 19.529 -6.372 1.00 0.00 N ATOM 226 CA PHE A 36 6.332 18.321 -5.983 1.00 0.00 C ATOM 227 C PHE A 36 6.356 18.165 -4.462 1.00 0.00 C ATOM 228 O PHE A 36 6.668 19.111 -3.741 1.00 0.00 O ATOM 229 CB PHE A 36 7.769 18.461 -6.492 1.00 0.00 C ATOM 230 CG PHE A 36 8.332 19.879 -6.382 1.00 0.00 C ATOM 231 CD1 PHE A 36 8.864 20.311 -5.208 1.00 0.00 C ATOM 232 CD2 PHE A 36 8.300 20.709 -7.460 1.00 0.00 C ATOM 233 CE1 PHE A 36 9.387 21.627 -5.106 1.00 0.00 C ATOM 234 CE2 PHE A 36 8.822 22.025 -7.358 1.00 0.00 C ATOM 235 CZ PHE A 36 9.355 22.457 -6.184 1.00 0.00 C ATOM 0 H PHE A 36 5.874 20.361 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 36 5.834 17.447 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.410 17.782 -5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.807 18.146 -7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.889 19.653 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.877 20.366 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.810 21.969 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.796 22.684 -8.213 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.753 23.458 -6.107 1.00 0.00 H new ATOM 245 N PHE A 37 6.021 16.962 -4.017 1.00 0.00 N ATOM 246 CA PHE A 37 5.999 16.669 -2.594 1.00 0.00 C ATOM 247 C PHE A 37 6.186 15.172 -2.339 1.00 0.00 C ATOM 248 O PHE A 37 5.982 14.356 -3.237 1.00 0.00 O ATOM 249 CB PHE A 37 4.627 17.096 -2.070 1.00 0.00 C ATOM 250 CG PHE A 37 4.546 18.570 -1.665 1.00 0.00 C ATOM 251 CD1 PHE A 37 5.314 19.037 -0.644 1.00 0.00 C ATOM 252 CD2 PHE A 37 3.707 19.412 -2.325 1.00 0.00 C ATOM 253 CE1 PHE A 37 5.239 20.404 -0.268 1.00 0.00 C ATOM 254 CE2 PHE A 37 3.632 20.779 -1.949 1.00 0.00 C ATOM 255 CZ PHE A 37 4.400 21.246 -0.928 1.00 0.00 C ATOM 0 H PHE A 37 5.763 16.179 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 37 6.809 17.199 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.879 16.899 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.370 16.479 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.980 18.368 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.097 19.041 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.849 20.775 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.966 21.448 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.343 22.286 -0.642 1.00 0.00 H new ATOM 265 N LYS A 38 6.572 14.857 -1.112 1.00 0.00 N ATOM 266 CA LYS A 38 6.788 13.473 -0.728 1.00 0.00 C ATOM 267 C LYS A 38 5.522 12.928 -0.063 1.00 0.00 C ATOM 268 O LYS A 38 4.826 13.656 0.644 1.00 0.00 O ATOM 269 CB LYS A 38 8.042 13.347 0.141 1.00 0.00 C ATOM 270 CG LYS A 38 9.244 14.015 -0.531 1.00 0.00 C ATOM 271 CD LYS A 38 9.477 15.418 0.032 1.00 0.00 C ATOM 272 CE LYS A 38 10.149 16.320 -1.005 1.00 0.00 C ATOM 273 NZ LYS A 38 11.603 16.050 -1.062 1.00 0.00 N ATOM 0 H LYS A 38 6.741 15.537 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 38 6.975 12.859 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.863 13.806 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.260 12.294 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.135 13.406 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.078 14.074 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.526 15.854 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.100 15.357 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.703 16.152 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.977 17.366 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.044 16.671 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.027 16.233 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.762 15.056 -1.325 1.00 0.00 H new ATOM 286 N ILE A 39 5.262 11.653 -0.313 1.00 0.00 N ATOM 287 CA ILE A 39 4.092 11.003 0.252 1.00 0.00 C ATOM 288 C ILE A 39 4.456 9.574 0.661 1.00 0.00 C ATOM 289 O ILE A 39 5.501 9.059 0.266 1.00 0.00 O ATOM 290 CB ILE A 39 2.913 11.084 -0.719 1.00 0.00 C ATOM 291 CG1 ILE A 39 2.488 12.536 -0.946 1.00 0.00 C ATOM 292 CG2 ILE A 39 1.749 10.214 -0.241 1.00 0.00 C ATOM 293 CD1 ILE A 39 3.085 13.087 -2.242 1.00 0.00 C ATOM 0 H ILE A 39 5.842 11.053 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 39 3.767 11.520 1.155 1.00 0.00 H new ATOM 0 HB ILE A 39 3.236 10.689 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.401 12.598 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.810 13.149 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.924 10.289 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.075 9.176 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.418 10.556 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.767 14.121 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.173 13.046 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.741 12.487 -3.085 1.00 0.00 H new ATOM 305 N LYS A 40 3.573 8.975 1.446 1.00 0.00 N ATOM 306 CA LYS A 40 3.788 7.615 1.912 1.00 0.00 C ATOM 307 C LYS A 40 2.927 6.656 1.087 1.00 0.00 C ATOM 308 O LYS A 40 2.085 5.946 1.634 1.00 0.00 O ATOM 309 CB LYS A 40 3.542 7.521 3.419 1.00 0.00 C ATOM 310 CG LYS A 40 4.399 8.536 4.179 1.00 0.00 C ATOM 311 CD LYS A 40 5.676 7.885 4.713 1.00 0.00 C ATOM 312 CE LYS A 40 5.844 8.154 6.210 1.00 0.00 C ATOM 313 NZ LYS A 40 7.259 7.991 6.610 1.00 0.00 N ATOM 0 H LYS A 40 2.708 9.406 1.771 1.00 0.00 H new ATOM 0 HA LYS A 40 4.827 7.320 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.488 7.699 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.771 6.514 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.657 9.365 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.826 8.954 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.643 6.810 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.539 8.271 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.508 9.164 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.217 7.469 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.355 8.177 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.568 7.019 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.850 8.662 6.078 1.00 0.00 H new ATOM 326 N LYS A 41 3.170 6.666 -0.215 1.00 0.00 N ATOM 327 CA LYS A 41 2.427 5.805 -1.121 1.00 0.00 C ATOM 328 C LYS A 41 2.896 6.056 -2.555 1.00 0.00 C ATOM 329 O LYS A 41 3.156 7.196 -2.936 1.00 0.00 O ATOM 330 CB LYS A 41 0.922 5.993 -0.924 1.00 0.00 C ATOM 331 CG LYS A 41 0.305 4.781 -0.222 1.00 0.00 C ATOM 332 CD LYS A 41 -0.793 5.212 0.753 1.00 0.00 C ATOM 333 CE LYS A 41 -0.907 4.228 1.919 1.00 0.00 C ATOM 334 NZ LYS A 41 -2.062 3.323 1.722 1.00 0.00 N ATOM 0 H LYS A 41 3.870 7.256 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 41 2.625 4.756 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.738 6.891 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.441 6.142 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.110 4.099 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.080 4.234 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.575 6.210 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.747 5.273 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.010 3.644 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.022 4.775 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.125 2.662 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.936 3.883 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.937 2.788 0.839 1.00 0.00 H new ATOM 347 N THR A 42 2.990 4.972 -3.311 1.00 0.00 N ATOM 348 CA THR A 42 3.423 5.060 -4.695 1.00 0.00 C ATOM 349 C THR A 42 2.223 5.289 -5.616 1.00 0.00 C ATOM 350 O THR A 42 2.282 6.116 -6.525 1.00 0.00 O ATOM 351 CB THR A 42 4.210 3.790 -5.027 1.00 0.00 C ATOM 352 OG1 THR A 42 4.036 3.631 -6.432 1.00 0.00 O ATOM 353 CG2 THR A 42 3.573 2.535 -4.428 1.00 0.00 C ATOM 0 H THR A 42 2.774 4.028 -2.991 1.00 0.00 H new ATOM 0 HA THR A 42 4.080 5.916 -4.850 1.00 0.00 H new ATOM 0 HB THR A 42 5.232 3.889 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.880 3.337 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.170 1.662 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.531 2.631 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.563 2.417 -4.821 1.00 0.00 H new ATOM 361 N THR A 43 1.162 4.543 -5.349 1.00 0.00 N ATOM 362 CA THR A 43 -0.051 4.654 -6.142 1.00 0.00 C ATOM 363 C THR A 43 -0.213 6.080 -6.670 1.00 0.00 C ATOM 364 O THR A 43 -0.776 6.937 -5.991 1.00 0.00 O ATOM 365 CB THR A 43 -1.225 4.188 -5.279 1.00 0.00 C ATOM 366 OG1 THR A 43 -2.348 4.881 -5.817 1.00 0.00 O ATOM 367 CG2 THR A 43 -1.130 4.694 -3.838 1.00 0.00 C ATOM 0 H THR A 43 1.117 3.859 -4.594 1.00 0.00 H new ATOM 0 HA THR A 43 -0.006 4.017 -7.025 1.00 0.00 H new ATOM 0 HB THR A 43 -1.265 3.099 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.169 5.844 -5.816 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.987 4.335 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.211 4.324 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.123 5.784 -3.835 1.00 0.00 H new ATOM 375 N PRO A 44 0.303 6.297 -7.910 1.00 0.00 N ATOM 376 CA PRO A 44 0.221 7.605 -8.537 1.00 0.00 C ATOM 377 C PRO A 44 -1.196 7.882 -9.042 1.00 0.00 C ATOM 378 O PRO A 44 -1.754 8.948 -8.782 1.00 0.00 O ATOM 379 CB PRO A 44 1.253 7.572 -9.653 1.00 0.00 C ATOM 380 CG PRO A 44 1.544 6.102 -9.907 1.00 0.00 C ATOM 381 CD PRO A 44 0.977 5.305 -8.744 1.00 0.00 C ATOM 0 HA PRO A 44 0.431 8.418 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.872 8.056 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.159 8.105 -9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.093 5.781 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.618 5.936 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.282 4.540 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.766 4.793 -8.192 1.00 0.00 H new ATOM 389 N LEU A 45 -1.739 6.906 -9.754 1.00 0.00 N ATOM 390 CA LEU A 45 -3.080 7.031 -10.297 1.00 0.00 C ATOM 391 C LEU A 45 -3.986 7.696 -9.258 1.00 0.00 C ATOM 392 O LEU A 45 -4.585 8.736 -9.526 1.00 0.00 O ATOM 393 CB LEU A 45 -3.592 5.673 -10.781 1.00 0.00 C ATOM 394 CG LEU A 45 -3.754 4.596 -9.706 1.00 0.00 C ATOM 395 CD1 LEU A 45 -4.411 3.340 -10.283 1.00 0.00 C ATOM 396 CD2 LEU A 45 -2.415 4.285 -9.035 1.00 0.00 C ATOM 0 H LEU A 45 -1.274 6.024 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.076 7.675 -11.176 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.557 5.822 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.907 5.299 -11.542 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.419 4.982 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.514 2.590 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.396 3.592 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.791 2.941 -11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.559 3.517 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.707 3.928 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.024 5.189 -8.568 1.00 0.00 H new ATOM 408 N ARG A 46 -4.058 7.067 -8.094 1.00 0.00 N ATOM 409 CA ARG A 46 -4.881 7.584 -7.014 1.00 0.00 C ATOM 410 C ARG A 46 -4.223 8.816 -6.388 1.00 0.00 C ATOM 411 O ARG A 46 -4.905 9.775 -6.032 1.00 0.00 O ATOM 412 CB ARG A 46 -5.098 6.525 -5.931 1.00 0.00 C ATOM 413 CG ARG A 46 -5.886 5.333 -6.480 1.00 0.00 C ATOM 414 CD ARG A 46 -5.291 4.011 -5.991 1.00 0.00 C ATOM 415 NE ARG A 46 -6.070 2.875 -6.532 1.00 0.00 N ATOM 416 CZ ARG A 46 -7.183 2.376 -5.954 1.00 0.00 C ATOM 417 NH1 ARG A 46 -7.658 2.910 -4.809 1.00 0.00 N ATOM 418 NH2 ARG A 46 -7.800 1.358 -6.525 1.00 0.00 N ATOM 0 H ARG A 46 -3.560 6.204 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.848 7.859 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.134 6.185 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.635 6.964 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.927 5.405 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.879 5.358 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.251 3.932 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.297 3.981 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.745 2.442 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.175 3.696 -4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.500 2.527 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.434 0.960 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.642 0.969 -6.101 1.00 0.00 H new ATOM 431 N ARG A 47 -2.905 8.749 -6.274 1.00 0.00 N ATOM 432 CA ARG A 47 -2.147 9.846 -5.697 1.00 0.00 C ATOM 433 C ARG A 47 -2.433 11.145 -6.455 1.00 0.00 C ATOM 434 O ARG A 47 -3.172 12.000 -5.969 1.00 0.00 O ATOM 435 CB ARG A 47 -0.644 9.560 -5.740 1.00 0.00 C ATOM 436 CG ARG A 47 -0.175 8.901 -4.441 1.00 0.00 C ATOM 437 CD ARG A 47 0.489 9.923 -3.516 1.00 0.00 C ATOM 438 NE ARG A 47 -0.514 10.902 -3.040 1.00 0.00 N ATOM 439 CZ ARG A 47 -1.376 10.669 -2.028 1.00 0.00 C ATOM 440 NH1 ARG A 47 -1.366 9.487 -1.376 1.00 0.00 N ATOM 441 NH2 ARG A 47 -2.231 11.616 -1.685 1.00 0.00 N ATOM 0 H ARG A 47 -2.342 7.952 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.456 9.952 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.418 8.909 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.097 10.490 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.025 8.444 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.529 8.100 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.945 9.415 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.290 10.439 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.556 11.809 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.703 8.761 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.021 9.320 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.233 12.506 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.889 11.457 -0.922 1.00 0.00 H new ATOM 454 N LEU A 48 -1.834 11.250 -7.632 1.00 0.00 N ATOM 455 CA LEU A 48 -2.016 12.429 -8.461 1.00 0.00 C ATOM 456 C LEU A 48 -3.500 12.799 -8.496 1.00 0.00 C ATOM 457 O LEU A 48 -3.852 13.976 -8.435 1.00 0.00 O ATOM 458 CB LEU A 48 -1.404 12.210 -9.846 1.00 0.00 C ATOM 459 CG LEU A 48 -0.660 13.405 -10.447 1.00 0.00 C ATOM 460 CD1 LEU A 48 0.773 13.024 -10.826 1.00 0.00 C ATOM 461 CD2 LEU A 48 -1.430 13.991 -11.631 1.00 0.00 C ATOM 0 H LEU A 48 -1.222 10.538 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.485 13.280 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.713 11.369 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.200 11.921 -10.532 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.596 14.185 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.280 13.891 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.308 12.690 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.753 12.219 -11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.880 14.839 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.547 13.229 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.413 14.324 -11.297 1.00 0.00 H new ATOM 473 N MET A 49 -4.331 11.771 -8.595 1.00 0.00 N ATOM 474 CA MET A 49 -5.769 11.973 -8.640 1.00 0.00 C ATOM 475 C MET A 49 -6.193 13.108 -7.705 1.00 0.00 C ATOM 476 O MET A 49 -7.031 13.933 -8.064 1.00 0.00 O ATOM 477 CB MET A 49 -6.479 10.681 -8.229 1.00 0.00 C ATOM 478 CG MET A 49 -7.513 10.267 -9.278 1.00 0.00 C ATOM 479 SD MET A 49 -9.009 9.715 -8.477 1.00 0.00 S ATOM 480 CE MET A 49 -9.549 11.248 -7.739 1.00 0.00 C ATOM 0 H MET A 49 -4.035 10.796 -8.645 1.00 0.00 H new ATOM 0 HA MET A 49 -6.047 12.243 -9.659 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.746 9.884 -8.101 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.969 10.822 -7.266 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.732 11.108 -9.936 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.110 9.470 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.638 11.264 -7.688 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.138 11.332 -6.733 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.202 12.085 -8.344 1.00 0.00 H new ATOM 490 N GLU A 50 -5.594 13.113 -6.523 1.00 0.00 N ATOM 491 CA GLU A 50 -5.898 14.133 -5.534 1.00 0.00 C ATOM 492 C GLU A 50 -4.812 15.210 -5.530 1.00 0.00 C ATOM 493 O GLU A 50 -5.113 16.401 -5.601 1.00 0.00 O ATOM 494 CB GLU A 50 -6.064 13.516 -4.144 1.00 0.00 C ATOM 495 CG GLU A 50 -7.171 14.222 -3.359 1.00 0.00 C ATOM 496 CD GLU A 50 -8.238 13.226 -2.900 1.00 0.00 C ATOM 497 OE1 GLU A 50 -9.333 13.179 -3.480 1.00 0.00 O ATOM 498 OE2 GLU A 50 -7.896 12.481 -1.904 1.00 0.00 O ATOM 0 H GLU A 50 -4.900 12.427 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.845 14.601 -5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.300 12.456 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.124 13.586 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.743 14.726 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.629 14.991 -3.981 1.00 0.00 H new ATOM 506 N ALA A 51 -3.571 14.753 -5.447 1.00 0.00 N ATOM 507 CA ALA A 51 -2.438 15.663 -5.433 1.00 0.00 C ATOM 508 C ALA A 51 -2.658 16.761 -6.475 1.00 0.00 C ATOM 509 O ALA A 51 -2.838 17.927 -6.126 1.00 0.00 O ATOM 510 CB ALA A 51 -1.148 14.877 -5.678 1.00 0.00 C ATOM 0 H ALA A 51 -3.325 13.765 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.346 16.146 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.298 15.560 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.023 14.130 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.203 14.381 -6.647 1.00 0.00 H new ATOM 516 N PHE A 52 -2.637 16.350 -7.735 1.00 0.00 N ATOM 517 CA PHE A 52 -2.833 17.284 -8.830 1.00 0.00 C ATOM 518 C PHE A 52 -4.138 18.063 -8.661 1.00 0.00 C ATOM 519 O PHE A 52 -4.288 19.157 -9.202 1.00 0.00 O ATOM 520 CB PHE A 52 -2.910 16.457 -10.115 1.00 0.00 C ATOM 521 CG PHE A 52 -3.881 17.015 -11.157 1.00 0.00 C ATOM 522 CD1 PHE A 52 -3.564 18.143 -11.848 1.00 0.00 C ATOM 523 CD2 PHE A 52 -5.062 16.383 -11.393 1.00 0.00 C ATOM 524 CE1 PHE A 52 -4.465 18.661 -12.815 1.00 0.00 C ATOM 525 CE2 PHE A 52 -5.963 16.901 -12.360 1.00 0.00 C ATOM 526 CZ PHE A 52 -5.646 18.029 -13.051 1.00 0.00 C ATOM 0 H PHE A 52 -2.487 15.383 -8.021 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.014 18.002 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.915 16.397 -10.556 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.209 15.440 -9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.626 18.645 -11.661 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.314 15.487 -10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.213 19.557 -13.363 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.901 16.399 -12.547 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.332 18.423 -13.787 1.00 0.00 H new ATOM 536 N ALA A 53 -5.051 17.469 -7.906 1.00 0.00 N ATOM 537 CA ALA A 53 -6.339 18.093 -7.658 1.00 0.00 C ATOM 538 C ALA A 53 -6.231 19.008 -6.436 1.00 0.00 C ATOM 539 O ALA A 53 -7.148 19.775 -6.147 1.00 0.00 O ATOM 540 CB ALA A 53 -7.406 17.011 -7.483 1.00 0.00 C ATOM 0 H ALA A 53 -4.924 16.562 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.636 18.709 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.372 17.480 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.464 16.407 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.143 16.374 -6.639 1.00 0.00 H new ATOM 546 N LYS A 54 -5.102 18.896 -5.751 1.00 0.00 N ATOM 547 CA LYS A 54 -4.863 19.703 -4.567 1.00 0.00 C ATOM 548 C LYS A 54 -4.197 21.018 -4.977 1.00 0.00 C ATOM 549 O LYS A 54 -4.365 22.038 -4.310 1.00 0.00 O ATOM 550 CB LYS A 54 -4.067 18.909 -3.529 1.00 0.00 C ATOM 551 CG LYS A 54 -4.957 17.885 -2.821 1.00 0.00 C ATOM 552 CD LYS A 54 -6.156 18.567 -2.158 1.00 0.00 C ATOM 553 CE LYS A 54 -6.583 17.817 -0.895 1.00 0.00 C ATOM 554 NZ LYS A 54 -7.828 18.398 -0.343 1.00 0.00 N ATOM 0 H LYS A 54 -4.343 18.259 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.806 19.959 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.236 18.399 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.637 19.591 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.307 17.144 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.376 17.351 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.900 19.596 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.989 18.609 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.738 16.763 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.790 17.867 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.104 17.877 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.669 19.398 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.587 18.328 -1.050 1.00 0.00 H new ATOM 567 N ARG A 55 -3.455 20.952 -6.073 1.00 0.00 N ATOM 568 CA ARG A 55 -2.763 22.124 -6.581 1.00 0.00 C ATOM 569 C ARG A 55 -3.537 22.731 -7.753 1.00 0.00 C ATOM 570 O ARG A 55 -3.940 23.893 -7.700 1.00 0.00 O ATOM 571 CB ARG A 55 -1.347 21.772 -7.042 1.00 0.00 C ATOM 572 CG ARG A 55 -0.374 22.915 -6.746 1.00 0.00 C ATOM 573 CD ARG A 55 -0.304 23.893 -7.920 1.00 0.00 C ATOM 574 NE ARG A 55 -0.988 25.158 -7.567 1.00 0.00 N ATOM 575 CZ ARG A 55 -1.038 26.241 -8.370 1.00 0.00 C ATOM 576 NH1 ARG A 55 -0.444 26.223 -9.582 1.00 0.00 N ATOM 577 NH2 ARG A 55 -1.676 27.319 -7.953 1.00 0.00 N ATOM 0 H ARG A 55 -3.318 20.104 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.699 22.848 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.012 20.865 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.351 21.561 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.691 23.443 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.618 22.510 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.736 24.092 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.771 23.451 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.450 25.214 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.047 25.386 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.486 27.046 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.122 27.325 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.723 28.146 -8.548 1.00 0.00 H new ATOM 590 N GLN A 56 -3.722 21.919 -8.783 1.00 0.00 N ATOM 591 CA GLN A 56 -4.441 22.362 -9.965 1.00 0.00 C ATOM 592 C GLN A 56 -5.951 22.288 -9.728 1.00 0.00 C ATOM 593 O GLN A 56 -6.680 23.224 -10.054 1.00 0.00 O ATOM 594 CB GLN A 56 -4.039 21.539 -11.191 1.00 0.00 C ATOM 595 CG GLN A 56 -4.656 22.118 -12.466 1.00 0.00 C ATOM 596 CD GLN A 56 -4.348 23.611 -12.596 1.00 0.00 C ATOM 597 OE1 GLN A 56 -3.422 24.024 -13.274 1.00 0.00 O ATOM 598 NE2 GLN A 56 -5.174 24.395 -11.908 1.00 0.00 N ATOM 0 H GLN A 56 -3.386 20.957 -8.824 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.174 23.401 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.953 21.523 -11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.363 20.506 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.269 21.586 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.735 21.966 -12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.930 23.984 -11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.052 25.407 -11.928 1.00 0.00 H new ATOM 607 N GLY A 57 -6.375 21.169 -9.161 1.00 0.00 N ATOM 608 CA GLY A 57 -7.784 20.961 -8.875 1.00 0.00 C ATOM 609 C GLY A 57 -8.429 22.240 -8.337 1.00 0.00 C ATOM 610 O GLY A 57 -9.629 22.452 -8.502 1.00 0.00 O ATOM 0 H GLY A 57 -5.767 20.396 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.300 20.643 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.896 20.158 -8.146 1.00 0.00 H new ATOM 614 N LYS A 58 -7.602 23.061 -7.705 1.00 0.00 N ATOM 615 CA LYS A 58 -8.076 24.313 -7.142 1.00 0.00 C ATOM 616 C LYS A 58 -8.800 25.114 -8.227 1.00 0.00 C ATOM 617 O LYS A 58 -9.874 25.662 -7.986 1.00 0.00 O ATOM 618 CB LYS A 58 -6.925 25.074 -6.482 1.00 0.00 C ATOM 619 CG LYS A 58 -7.445 26.266 -5.676 1.00 0.00 C ATOM 620 CD LYS A 58 -6.640 27.530 -5.985 1.00 0.00 C ATOM 621 CE LYS A 58 -7.325 28.770 -5.407 1.00 0.00 C ATOM 622 NZ LYS A 58 -6.747 30.001 -5.992 1.00 0.00 N ATOM 0 H LYS A 58 -6.607 22.883 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.799 24.124 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.369 24.403 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.230 25.423 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.497 26.435 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.385 26.043 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.637 27.437 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.529 27.641 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.395 28.731 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.208 28.786 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.223 30.833 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.731 30.044 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.881 29.991 -7.023 1.00 0.00 H new ATOM 635 N GLU A 59 -8.182 25.155 -9.398 1.00 0.00 N ATOM 636 CA GLU A 59 -8.754 25.879 -10.521 1.00 0.00 C ATOM 637 C GLU A 59 -9.759 24.998 -11.264 1.00 0.00 C ATOM 638 O GLU A 59 -10.540 25.490 -12.077 1.00 0.00 O ATOM 639 CB GLU A 59 -7.659 26.380 -11.465 1.00 0.00 C ATOM 640 CG GLU A 59 -7.803 27.881 -11.725 1.00 0.00 C ATOM 641 CD GLU A 59 -7.482 28.688 -10.465 1.00 0.00 C ATOM 642 OE1 GLU A 59 -8.365 29.372 -9.926 1.00 0.00 O ATOM 643 OE2 GLU A 59 -6.266 28.587 -10.048 1.00 0.00 O ATOM 0 H GLU A 59 -7.291 24.699 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.282 26.751 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.680 26.175 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.711 25.837 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.135 28.180 -12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.819 28.101 -12.054 1.00 0.00 H new ATOM 651 N MET A 60 -9.706 23.709 -10.960 1.00 0.00 N ATOM 652 CA MET A 60 -10.602 22.754 -11.590 1.00 0.00 C ATOM 653 C MET A 60 -10.856 23.123 -13.053 1.00 0.00 C ATOM 654 O MET A 60 -11.934 22.861 -13.585 1.00 0.00 O ATOM 655 CB MET A 60 -11.932 22.726 -10.833 1.00 0.00 C ATOM 656 CG MET A 60 -12.699 24.036 -11.021 1.00 0.00 C ATOM 657 SD MET A 60 -12.293 25.176 -9.709 1.00 0.00 S ATOM 658 CE MET A 60 -13.171 24.414 -8.354 1.00 0.00 C ATOM 0 H MET A 60 -9.057 23.304 -10.286 1.00 0.00 H new ATOM 0 HA MET A 60 -10.134 21.770 -11.559 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.538 21.892 -11.187 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.747 22.558 -9.772 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.451 24.477 -11.986 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.771 23.841 -11.026 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.606 25.188 -7.721 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.964 23.778 -8.746 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.480 23.810 -7.766 1.00 0.00 H new ATOM 668 N ASP A 61 -9.845 23.724 -13.662 1.00 0.00 N ATOM 669 CA ASP A 61 -9.944 24.131 -15.053 1.00 0.00 C ATOM 670 C ASP A 61 -9.236 23.100 -15.934 1.00 0.00 C ATOM 671 O ASP A 61 -9.340 23.147 -17.159 1.00 0.00 O ATOM 672 CB ASP A 61 -9.273 25.487 -15.280 1.00 0.00 C ATOM 673 CG ASP A 61 -10.235 26.669 -15.419 1.00 0.00 C ATOM 674 OD1 ASP A 61 -11.282 26.722 -14.757 1.00 0.00 O ATOM 675 OD2 ASP A 61 -9.867 27.575 -16.262 1.00 0.00 O ATOM 0 H ASP A 61 -8.953 23.939 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.001 24.205 -15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.596 25.684 -14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.662 25.427 -16.181 1.00 0.00 H new ATOM 681 N SER A 62 -8.530 22.192 -15.276 1.00 0.00 N ATOM 682 CA SER A 62 -7.804 21.151 -15.983 1.00 0.00 C ATOM 683 C SER A 62 -8.314 19.774 -15.554 1.00 0.00 C ATOM 684 O SER A 62 -8.288 19.439 -14.371 1.00 0.00 O ATOM 685 CB SER A 62 -6.299 21.262 -15.733 1.00 0.00 C ATOM 686 OG SER A 62 -5.775 20.095 -15.104 1.00 0.00 O ATOM 0 H SER A 62 -8.445 22.156 -14.260 1.00 0.00 H new ATOM 0 HA SER A 62 -7.977 21.278 -17.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.785 21.425 -16.680 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.098 22.132 -15.108 1.00 0.00 H new ATOM 0 HG SER A 62 -5.999 20.109 -14.150 1.00 0.00 H new ATOM 692 N LEU A 63 -8.765 19.011 -16.539 1.00 0.00 N ATOM 693 CA LEU A 63 -9.280 17.678 -16.278 1.00 0.00 C ATOM 694 C LEU A 63 -8.745 16.713 -17.338 1.00 0.00 C ATOM 695 O LEU A 63 -9.481 15.865 -17.839 1.00 0.00 O ATOM 696 CB LEU A 63 -10.807 17.702 -16.183 1.00 0.00 C ATOM 697 CG LEU A 63 -11.479 19.033 -16.525 1.00 0.00 C ATOM 698 CD1 LEU A 63 -12.937 18.821 -16.937 1.00 0.00 C ATOM 699 CD2 LEU A 63 -11.349 20.026 -15.368 1.00 0.00 C ATOM 0 H LEU A 63 -8.784 19.291 -17.520 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.929 17.317 -15.311 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.205 16.935 -16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.093 17.423 -15.169 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.962 19.467 -17.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.391 19.783 -17.175 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.977 18.174 -17.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.483 18.355 -16.117 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.835 20.964 -15.637 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.825 19.613 -14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.294 20.210 -15.163 1.00 0.00 H new ATOM 711 N ARG A 64 -7.467 16.875 -17.649 1.00 0.00 N ATOM 712 CA ARG A 64 -6.825 16.028 -18.640 1.00 0.00 C ATOM 713 C ARG A 64 -5.713 15.201 -17.991 1.00 0.00 C ATOM 714 O ARG A 64 -4.618 15.708 -17.749 1.00 0.00 O ATOM 715 CB ARG A 64 -6.232 16.864 -19.777 1.00 0.00 C ATOM 716 CG ARG A 64 -6.717 16.360 -21.137 1.00 0.00 C ATOM 717 CD ARG A 64 -5.543 15.894 -22.000 1.00 0.00 C ATOM 718 NE ARG A 64 -5.734 16.339 -23.399 1.00 0.00 N ATOM 719 CZ ARG A 64 -6.606 15.773 -24.260 1.00 0.00 C ATOM 720 NH1 ARG A 64 -7.375 14.733 -23.872 1.00 0.00 N ATOM 721 NH2 ARG A 64 -6.695 16.251 -25.487 1.00 0.00 N ATOM 0 H ARG A 64 -6.859 17.580 -17.232 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.585 15.363 -19.051 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.514 17.909 -19.650 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.144 16.821 -19.736 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.418 15.537 -20.995 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.258 17.154 -21.651 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.610 16.296 -21.606 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.463 14.808 -21.963 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.172 17.122 -23.733 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.299 14.369 -22.922 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.031 14.311 -24.529 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.110 17.036 -25.772 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.349 15.835 -26.150 1.00 0.00 H new ATOM 734 N PHE A 65 -6.032 13.942 -17.729 1.00 0.00 N ATOM 735 CA PHE A 65 -5.073 13.040 -17.113 1.00 0.00 C ATOM 736 C PHE A 65 -4.317 12.237 -18.173 1.00 0.00 C ATOM 737 O PHE A 65 -4.896 11.378 -18.836 1.00 0.00 O ATOM 738 CB PHE A 65 -5.870 12.076 -16.232 1.00 0.00 C ATOM 739 CG PHE A 65 -6.857 12.766 -15.288 1.00 0.00 C ATOM 740 CD1 PHE A 65 -8.100 13.098 -15.729 1.00 0.00 C ATOM 741 CD2 PHE A 65 -6.491 13.048 -14.009 1.00 0.00 C ATOM 742 CE1 PHE A 65 -9.016 13.738 -14.853 1.00 0.00 C ATOM 743 CE2 PHE A 65 -7.407 13.688 -13.133 1.00 0.00 C ATOM 744 CZ PHE A 65 -8.650 14.020 -13.574 1.00 0.00 C ATOM 0 H PHE A 65 -6.941 13.525 -17.932 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.343 13.609 -16.537 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.418 11.384 -16.872 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.174 11.480 -15.641 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.390 12.875 -16.745 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.503 12.785 -13.660 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.004 14.001 -15.202 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.117 13.911 -12.117 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.347 14.508 -12.908 1.00 0.00 H new ATOM 754 N LEU A 66 -3.035 12.546 -18.300 1.00 0.00 N ATOM 755 CA LEU A 66 -2.193 11.864 -19.268 1.00 0.00 C ATOM 756 C LEU A 66 -0.725 12.045 -18.878 1.00 0.00 C ATOM 757 O LEU A 66 -0.393 12.929 -18.090 1.00 0.00 O ATOM 758 CB LEU A 66 -2.516 12.337 -20.687 1.00 0.00 C ATOM 759 CG LEU A 66 -1.852 13.644 -21.125 1.00 0.00 C ATOM 760 CD1 LEU A 66 -0.350 13.451 -21.341 1.00 0.00 C ATOM 761 CD2 LEU A 66 -2.541 14.221 -22.363 1.00 0.00 C ATOM 0 H LEU A 66 -2.559 13.260 -17.748 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.395 10.793 -19.261 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.225 11.553 -21.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.596 12.455 -20.773 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.970 14.373 -20.323 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.097 14.395 -21.652 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.112 13.120 -20.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.187 12.700 -22.115 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.050 15.150 -22.653 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.477 13.505 -23.182 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.589 14.420 -22.137 1.00 0.00 H new ATOM 773 N TYR A 67 0.115 11.193 -19.448 1.00 0.00 N ATOM 774 CA TYR A 67 1.540 11.249 -19.170 1.00 0.00 C ATOM 775 C TYR A 67 2.295 11.936 -20.310 1.00 0.00 C ATOM 776 O TYR A 67 3.141 12.797 -20.069 1.00 0.00 O ATOM 777 CB TYR A 67 2.007 9.795 -19.069 1.00 0.00 C ATOM 778 CG TYR A 67 3.527 9.632 -19.010 1.00 0.00 C ATOM 779 CD1 TYR A 67 4.190 9.767 -17.807 1.00 0.00 C ATOM 780 CD2 TYR A 67 4.236 9.351 -20.160 1.00 0.00 C ATOM 781 CE1 TYR A 67 5.620 9.614 -17.751 1.00 0.00 C ATOM 782 CE2 TYR A 67 5.667 9.197 -20.105 1.00 0.00 C ATOM 783 CZ TYR A 67 6.288 9.337 -18.903 1.00 0.00 C ATOM 784 OH TYR A 67 7.640 9.192 -18.851 1.00 0.00 O ATOM 0 H TYR A 67 -0.164 10.461 -20.101 1.00 0.00 H new ATOM 0 HA TYR A 67 1.731 11.814 -18.258 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.569 9.345 -18.178 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.626 9.241 -19.927 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.635 9.988 -16.907 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.718 9.247 -21.102 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.150 9.717 -16.816 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.234 8.976 -20.997 1.00 0.00 H new ATOM 0 HH TYR A 67 7.983 8.995 -19.748 1.00 0.00 H new ATOM 794 N ASP A 68 1.962 11.531 -21.526 1.00 0.00 N ATOM 795 CA ASP A 68 2.598 12.097 -22.704 1.00 0.00 C ATOM 796 C ASP A 68 1.538 12.780 -23.572 1.00 0.00 C ATOM 797 O ASP A 68 1.515 14.005 -23.680 1.00 0.00 O ATOM 798 CB ASP A 68 3.268 11.009 -23.545 1.00 0.00 C ATOM 799 CG ASP A 68 4.794 11.093 -23.613 1.00 0.00 C ATOM 800 OD1 ASP A 68 5.503 10.558 -22.748 1.00 0.00 O ATOM 801 OD2 ASP A 68 5.260 11.751 -24.621 1.00 0.00 O ATOM 0 H ASP A 68 1.260 10.817 -21.722 1.00 0.00 H new ATOM 0 HA ASP A 68 3.352 12.810 -22.370 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.990 10.036 -23.141 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.871 11.058 -24.559 1.00 0.00 H new ATOM 807 N GLY A 69 0.688 11.957 -24.167 1.00 0.00 N ATOM 808 CA GLY A 69 -0.371 12.466 -25.022 1.00 0.00 C ATOM 809 C GLY A 69 -1.293 11.336 -25.485 1.00 0.00 C ATOM 810 O GLY A 69 -1.620 11.241 -26.667 1.00 0.00 O ATOM 0 H GLY A 69 0.711 10.941 -24.074 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.951 13.215 -24.482 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.064 12.963 -25.889 1.00 0.00 H new ATOM 814 N ILE A 70 -1.687 10.508 -24.529 1.00 0.00 N ATOM 815 CA ILE A 70 -2.565 9.388 -24.823 1.00 0.00 C ATOM 816 C ILE A 70 -3.253 8.932 -23.535 1.00 0.00 C ATOM 817 O ILE A 70 -3.498 7.741 -23.345 1.00 0.00 O ATOM 818 CB ILE A 70 -1.794 8.275 -25.536 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.303 8.339 -25.198 1.00 0.00 C ATOM 820 CG2 ILE A 70 -2.042 8.315 -27.045 1.00 0.00 C ATOM 821 CD1 ILE A 70 0.233 6.958 -24.817 1.00 0.00 C ATOM 0 H ILE A 70 -1.414 10.590 -23.550 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.351 9.692 -25.514 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.166 7.316 -25.175 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.251 8.725 -26.054 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.143 9.035 -24.375 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.482 7.514 -27.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.106 8.184 -27.242 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.715 9.276 -27.442 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.295 7.032 -24.582 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.307 6.586 -23.946 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.093 6.271 -25.651 1.00 0.00 H new ATOM 833 N ARG A 71 -3.545 9.903 -22.682 1.00 0.00 N ATOM 834 CA ARG A 71 -4.200 9.616 -21.417 1.00 0.00 C ATOM 835 C ARG A 71 -3.509 8.445 -20.715 1.00 0.00 C ATOM 836 O ARG A 71 -4.166 7.499 -20.285 1.00 0.00 O ATOM 837 CB ARG A 71 -5.677 9.277 -21.626 1.00 0.00 C ATOM 838 CG ARG A 71 -6.443 10.480 -22.178 1.00 0.00 C ATOM 839 CD ARG A 71 -7.792 10.051 -22.761 1.00 0.00 C ATOM 840 NE ARG A 71 -7.707 9.984 -24.237 1.00 0.00 N ATOM 841 CZ ARG A 71 -8.711 9.560 -25.034 1.00 0.00 C ATOM 842 NH1 ARG A 71 -9.886 9.162 -24.503 1.00 0.00 N ATOM 843 NH2 ARG A 71 -8.525 9.542 -26.341 1.00 0.00 N ATOM 0 H ARG A 71 -3.340 10.889 -22.842 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.128 10.509 -20.796 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.767 8.437 -22.315 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.119 8.963 -20.680 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.601 11.210 -21.384 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.849 10.971 -22.949 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.078 9.078 -22.360 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.567 10.758 -22.465 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.836 10.276 -24.680 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.021 9.180 -23.492 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.639 8.843 -25.113 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.634 9.845 -26.734 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.273 9.225 -26.958 1.00 0.00 H new ATOM 856 N ILE A 72 -2.191 8.548 -20.621 1.00 0.00 N ATOM 857 CA ILE A 72 -1.404 7.509 -19.979 1.00 0.00 C ATOM 858 C ILE A 72 -0.870 8.032 -18.643 1.00 0.00 C ATOM 859 O ILE A 72 -1.097 9.188 -18.290 1.00 0.00 O ATOM 860 CB ILE A 72 -0.310 7.005 -20.922 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.151 8.115 -21.870 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.772 5.759 -21.681 1.00 0.00 C ATOM 863 CD1 ILE A 72 1.508 7.777 -22.490 1.00 0.00 C ATOM 0 H ILE A 72 -1.649 9.335 -20.979 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.027 6.642 -19.758 1.00 0.00 H new ATOM 0 HB ILE A 72 0.552 6.715 -20.321 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.588 8.255 -22.658 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.220 9.057 -21.326 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.024 5.421 -22.344 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.012 4.968 -20.970 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.657 5.999 -22.270 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.813 8.582 -23.159 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.250 7.661 -21.700 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.429 6.847 -23.053 1.00 0.00 H new ATOM 875 N GLN A 73 -0.172 7.155 -17.937 1.00 0.00 N ATOM 876 CA GLN A 73 0.395 7.513 -16.648 1.00 0.00 C ATOM 877 C GLN A 73 1.772 6.868 -16.476 1.00 0.00 C ATOM 878 O GLN A 73 2.241 6.153 -17.360 1.00 0.00 O ATOM 879 CB GLN A 73 -0.543 7.116 -15.507 1.00 0.00 C ATOM 880 CG GLN A 73 -1.678 8.130 -15.352 1.00 0.00 C ATOM 881 CD GLN A 73 -3.030 7.496 -15.688 1.00 0.00 C ATOM 882 OE1 GLN A 73 -3.132 6.322 -16.005 1.00 0.00 O ATOM 883 NE2 GLN A 73 -4.058 8.335 -15.602 1.00 0.00 N ATOM 0 H GLN A 73 0.014 6.197 -18.233 1.00 0.00 H new ATOM 0 HA GLN A 73 0.516 8.596 -16.614 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.958 6.127 -15.700 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.019 7.049 -14.576 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.694 8.510 -14.330 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.500 8.983 -16.006 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.903 9.306 -15.331 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.002 8.008 -15.807 1.00 0.00 H new ATOM 892 N ALA A 74 2.381 7.145 -15.333 1.00 0.00 N ATOM 893 CA ALA A 74 3.694 6.600 -15.033 1.00 0.00 C ATOM 894 C ALA A 74 3.537 5.200 -14.436 1.00 0.00 C ATOM 895 O ALA A 74 3.835 4.204 -15.094 1.00 0.00 O ATOM 896 CB ALA A 74 4.441 7.553 -14.098 1.00 0.00 C ATOM 0 H ALA A 74 1.989 7.740 -14.603 1.00 0.00 H new ATOM 0 HA ALA A 74 4.287 6.505 -15.943 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.426 7.144 -13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.553 8.524 -14.581 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.877 7.671 -13.173 1.00 0.00 H new ATOM 902 N ASP A 75 3.070 5.169 -13.197 1.00 0.00 N ATOM 903 CA ASP A 75 2.870 3.908 -12.504 1.00 0.00 C ATOM 904 C ASP A 75 1.400 3.781 -12.098 1.00 0.00 C ATOM 905 O ASP A 75 1.095 3.401 -10.969 1.00 0.00 O ATOM 906 CB ASP A 75 3.719 3.837 -11.233 1.00 0.00 C ATOM 907 CG ASP A 75 4.910 4.796 -11.197 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.075 4.370 -11.211 1.00 0.00 O ATOM 909 OD2 ASP A 75 4.601 6.048 -11.153 1.00 0.00 O ATOM 0 H ASP A 75 2.824 5.997 -12.655 1.00 0.00 H new ATOM 0 HA ASP A 75 3.162 3.103 -13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.079 4.043 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.089 2.818 -11.117 1.00 0.00 H new ATOM 915 N GLN A 76 0.529 4.107 -13.041 1.00 0.00 N ATOM 916 CA GLN A 76 -0.901 4.035 -12.796 1.00 0.00 C ATOM 917 C GLN A 76 -1.322 2.588 -12.530 1.00 0.00 C ATOM 918 O GLN A 76 -2.448 2.333 -12.106 1.00 0.00 O ATOM 919 CB GLN A 76 -1.689 4.628 -13.966 1.00 0.00 C ATOM 920 CG GLN A 76 -3.134 4.126 -13.965 1.00 0.00 C ATOM 921 CD GLN A 76 -3.242 2.765 -14.656 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.675 2.528 -15.710 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.000 1.886 -14.005 1.00 0.00 N ATOM 0 H GLN A 76 0.786 4.422 -13.977 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.128 4.628 -11.910 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.678 5.716 -13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.208 4.359 -14.906 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.495 4.047 -12.939 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.774 4.848 -14.473 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.446 2.149 -13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.135 0.949 -14.385 1.00 0.00 H new ATOM 932 N THR A 77 -0.394 1.679 -12.790 1.00 0.00 N ATOM 933 CA THR A 77 -0.654 0.264 -12.584 1.00 0.00 C ATOM 934 C THR A 77 -0.447 -0.108 -11.114 1.00 0.00 C ATOM 935 O THR A 77 0.522 0.324 -10.492 1.00 0.00 O ATOM 936 CB THR A 77 0.240 -0.526 -13.542 1.00 0.00 C ATOM 937 OG1 THR A 77 0.220 0.238 -14.745 1.00 0.00 O ATOM 938 CG2 THR A 77 -0.375 -1.868 -13.943 1.00 0.00 C ATOM 0 H THR A 77 0.539 1.895 -13.141 1.00 0.00 H new ATOM 0 HA THR A 77 -1.692 0.017 -12.807 1.00 0.00 H new ATOM 0 HB THR A 77 1.211 -0.696 -13.076 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.777 -0.202 -15.421 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.299 -2.388 -14.623 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.533 -2.476 -13.053 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.330 -1.697 -14.439 1.00 0.00 H new ATOM 946 N PRO A 78 -1.398 -0.925 -10.589 1.00 0.00 N ATOM 947 CA PRO A 78 -1.329 -1.360 -9.204 1.00 0.00 C ATOM 948 C PRO A 78 -0.255 -2.433 -9.019 1.00 0.00 C ATOM 949 O PRO A 78 0.094 -2.780 -7.891 1.00 0.00 O ATOM 950 CB PRO A 78 -2.728 -1.857 -8.878 1.00 0.00 C ATOM 951 CG PRO A 78 -3.401 -2.116 -10.216 1.00 0.00 C ATOM 952 CD PRO A 78 -2.560 -1.456 -11.296 1.00 0.00 C ATOM 0 HA PRO A 78 -1.037 -0.559 -8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.689 -2.766 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.281 -1.116 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.486 -3.187 -10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.413 -1.711 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.264 -2.174 -12.061 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.113 -0.663 -11.800 1.00 0.00 H new ATOM 960 N GLU A 79 0.240 -2.930 -10.143 1.00 0.00 N ATOM 961 CA GLU A 79 1.268 -3.957 -10.119 1.00 0.00 C ATOM 962 C GLU A 79 2.644 -3.337 -10.373 1.00 0.00 C ATOM 963 O GLU A 79 3.665 -4.010 -10.244 1.00 0.00 O ATOM 964 CB GLU A 79 0.967 -5.058 -11.138 1.00 0.00 C ATOM 965 CG GLU A 79 1.208 -6.443 -10.535 1.00 0.00 C ATOM 966 CD GLU A 79 1.021 -7.539 -11.586 1.00 0.00 C ATOM 967 OE1 GLU A 79 -0.033 -7.601 -12.236 1.00 0.00 O ATOM 968 OE2 GLU A 79 2.021 -8.344 -11.718 1.00 0.00 O ATOM 0 H GLU A 79 -0.052 -2.641 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 79 1.274 -4.414 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.068 -4.977 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.596 -4.926 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.217 -6.495 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.519 -6.608 -9.706 1.00 0.00 H new ATOM 976 N ASP A 80 2.626 -2.061 -10.729 1.00 0.00 N ATOM 977 CA ASP A 80 3.859 -1.343 -11.002 1.00 0.00 C ATOM 978 C ASP A 80 4.276 -0.561 -9.754 1.00 0.00 C ATOM 979 O ASP A 80 5.451 -0.549 -9.389 1.00 0.00 O ATOM 980 CB ASP A 80 3.673 -0.343 -12.145 1.00 0.00 C ATOM 981 CG ASP A 80 4.927 0.448 -12.523 1.00 0.00 C ATOM 982 OD1 ASP A 80 5.858 0.592 -11.717 1.00 0.00 O ATOM 983 OD2 ASP A 80 4.925 0.935 -13.717 1.00 0.00 O ATOM 0 H ASP A 80 1.777 -1.506 -10.835 1.00 0.00 H new ATOM 0 HA ASP A 80 4.619 -2.073 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.322 -0.882 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.888 0.360 -11.868 1.00 0.00 H new ATOM 989 N LEU A 81 3.291 0.072 -9.135 1.00 0.00 N ATOM 990 CA LEU A 81 3.541 0.853 -7.936 1.00 0.00 C ATOM 991 C LEU A 81 4.215 -0.032 -6.886 1.00 0.00 C ATOM 992 O LEU A 81 5.163 0.393 -6.227 1.00 0.00 O ATOM 993 CB LEU A 81 2.249 1.512 -7.447 1.00 0.00 C ATOM 994 CG LEU A 81 1.129 0.559 -7.024 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.294 0.132 -5.564 1.00 0.00 C ATOM 996 CD2 LEU A 81 -0.246 1.178 -7.288 1.00 0.00 C ATOM 0 H LEU A 81 2.318 0.060 -9.441 1.00 0.00 H new ATOM 0 HA LEU A 81 4.228 1.671 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.490 2.156 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.870 2.157 -8.240 1.00 0.00 H new ATOM 0 HG LEU A 81 1.199 -0.342 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.485 -0.545 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.250 -0.376 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.264 1.012 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.024 0.481 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.343 2.104 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.351 1.390 -8.352 1.00 0.00 H new ATOM 1008 N ASP A 82 3.700 -1.247 -6.764 1.00 0.00 N ATOM 1009 CA ASP A 82 4.241 -2.196 -5.805 1.00 0.00 C ATOM 1010 C ASP A 82 5.675 -2.552 -6.201 1.00 0.00 C ATOM 1011 O ASP A 82 6.452 -3.027 -5.374 1.00 0.00 O ATOM 1012 CB ASP A 82 3.421 -3.487 -5.786 1.00 0.00 C ATOM 1013 CG ASP A 82 3.753 -4.447 -4.642 1.00 0.00 C ATOM 1014 OD1 ASP A 82 4.766 -4.284 -3.945 1.00 0.00 O ATOM 1015 OD2 ASP A 82 2.910 -5.409 -4.475 1.00 0.00 O ATOM 0 H ASP A 82 2.914 -1.596 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 82 4.209 -1.734 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.364 -3.227 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.569 -4.008 -6.732 1.00 0.00 H new ATOM 1021 N MET A 83 5.984 -2.310 -7.467 1.00 0.00 N ATOM 1022 CA MET A 83 7.311 -2.600 -7.982 1.00 0.00 C ATOM 1023 C MET A 83 8.172 -1.335 -8.021 1.00 0.00 C ATOM 1024 O MET A 83 9.026 -1.135 -7.158 1.00 0.00 O ATOM 1025 CB MET A 83 7.195 -3.182 -9.393 1.00 0.00 C ATOM 1026 CG MET A 83 7.818 -4.578 -9.462 1.00 0.00 C ATOM 1027 SD MET A 83 7.516 -5.302 -11.066 1.00 0.00 S ATOM 1028 CE MET A 83 5.733 -5.380 -11.040 1.00 0.00 C ATOM 0 H MET A 83 5.338 -1.916 -8.151 1.00 0.00 H new ATOM 0 HA MET A 83 7.788 -3.322 -7.319 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.146 -3.233 -9.684 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.692 -2.522 -10.105 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.891 -4.516 -9.278 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.397 -5.212 -8.682 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.402 -6.301 -11.520 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.383 -5.363 -10.008 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.324 -4.524 -11.576 1.00 0.00 H new ATOM 1038 N GLU A 84 7.918 -0.516 -9.030 1.00 0.00 N ATOM 1039 CA GLU A 84 8.660 0.723 -9.193 1.00 0.00 C ATOM 1040 C GLU A 84 8.420 1.646 -7.996 1.00 0.00 C ATOM 1041 O GLU A 84 7.577 1.361 -7.147 1.00 0.00 O ATOM 1042 CB GLU A 84 8.286 1.418 -10.504 1.00 0.00 C ATOM 1043 CG GLU A 84 9.417 2.331 -10.982 1.00 0.00 C ATOM 1044 CD GLU A 84 9.716 2.102 -12.465 1.00 0.00 C ATOM 1045 OE1 GLU A 84 9.936 0.956 -12.884 1.00 0.00 O ATOM 1046 OE2 GLU A 84 9.713 3.168 -13.193 1.00 0.00 O ATOM 0 H GLU A 84 7.209 -0.686 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 84 9.723 0.484 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.070 0.671 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.377 2.002 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.141 3.373 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.315 2.143 -10.393 1.00 0.00 H new ATOM 1054 N ASP A 85 9.178 2.732 -7.966 1.00 0.00 N ATOM 1055 CA ASP A 85 9.059 3.698 -6.887 1.00 0.00 C ATOM 1056 C ASP A 85 9.329 5.102 -7.433 1.00 0.00 C ATOM 1057 O ASP A 85 10.441 5.614 -7.318 1.00 0.00 O ATOM 1058 CB ASP A 85 10.078 3.417 -5.781 1.00 0.00 C ATOM 1059 CG ASP A 85 11.395 2.801 -6.257 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.391 3.509 -6.472 1.00 0.00 O ATOM 1061 OD2 ASP A 85 11.375 1.520 -6.409 1.00 0.00 O ATOM 0 H ASP A 85 9.877 2.965 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 85 8.052 3.623 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.297 4.351 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.624 2.747 -5.051 1.00 0.00 H new ATOM 1067 N ASN A 86 8.292 5.685 -8.016 1.00 0.00 N ATOM 1068 CA ASN A 86 8.403 7.019 -8.580 1.00 0.00 C ATOM 1069 C ASN A 86 7.042 7.450 -9.133 1.00 0.00 C ATOM 1070 O ASN A 86 6.663 7.056 -10.235 1.00 0.00 O ATOM 1071 CB ASN A 86 9.411 7.049 -9.731 1.00 0.00 C ATOM 1072 CG ASN A 86 10.650 7.863 -9.353 1.00 0.00 C ATOM 1073 OD1 ASN A 86 10.571 9.011 -8.949 1.00 0.00 O ATOM 1074 ND2 ASN A 86 11.796 7.205 -9.507 1.00 0.00 N ATOM 0 H ASN A 86 7.371 5.258 -8.110 1.00 0.00 H new ATOM 0 HA ASN A 86 8.737 7.692 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.705 6.031 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.944 7.480 -10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.680 7.661 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.790 6.244 -9.850 1.00 0.00 H new ATOM 1081 N ASP A 87 6.345 8.252 -8.342 1.00 0.00 N ATOM 1082 CA ASP A 87 5.035 8.740 -8.738 1.00 0.00 C ATOM 1083 C ASP A 87 5.192 10.079 -9.462 1.00 0.00 C ATOM 1084 O ASP A 87 5.656 11.055 -8.876 1.00 0.00 O ATOM 1085 CB ASP A 87 4.139 8.965 -7.518 1.00 0.00 C ATOM 1086 CG ASP A 87 4.179 7.848 -6.473 1.00 0.00 C ATOM 1087 OD1 ASP A 87 4.522 6.697 -6.780 1.00 0.00 O ATOM 1088 OD2 ASP A 87 3.833 8.205 -5.282 1.00 0.00 O ATOM 0 H ASP A 87 6.663 8.576 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 87 4.579 7.993 -9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.430 9.900 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.111 9.087 -7.858 1.00 0.00 H new ATOM 1094 N ILE A 88 4.796 10.081 -10.726 1.00 0.00 N ATOM 1095 CA ILE A 88 4.887 11.284 -11.537 1.00 0.00 C ATOM 1096 C ILE A 88 3.967 11.145 -12.752 1.00 0.00 C ATOM 1097 O ILE A 88 4.041 10.158 -13.481 1.00 0.00 O ATOM 1098 CB ILE A 88 6.344 11.577 -11.899 1.00 0.00 C ATOM 1099 CG1 ILE A 88 6.512 11.735 -13.412 1.00 0.00 C ATOM 1100 CG2 ILE A 88 7.277 10.508 -11.327 1.00 0.00 C ATOM 1101 CD1 ILE A 88 6.516 10.372 -14.108 1.00 0.00 C ATOM 0 H ILE A 88 4.411 9.269 -11.209 1.00 0.00 H new ATOM 0 HA ILE A 88 4.543 12.151 -10.973 1.00 0.00 H new ATOM 0 HB ILE A 88 6.625 12.526 -11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.703 12.348 -13.809 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.444 12.259 -13.625 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.307 10.740 -11.599 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.184 10.487 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.006 9.533 -11.733 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.637 10.512 -15.182 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.341 9.771 -13.726 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.573 9.861 -13.913 1.00 0.00 H new ATOM 1113 N ILE A 89 3.121 12.150 -12.931 1.00 0.00 N ATOM 1114 CA ILE A 89 2.188 12.152 -14.045 1.00 0.00 C ATOM 1115 C ILE A 89 1.915 13.596 -14.472 1.00 0.00 C ATOM 1116 O ILE A 89 2.344 14.536 -13.805 1.00 0.00 O ATOM 1117 CB ILE A 89 0.925 11.367 -13.687 1.00 0.00 C ATOM 1118 CG1 ILE A 89 1.255 10.182 -12.778 1.00 0.00 C ATOM 1119 CG2 ILE A 89 0.175 10.931 -14.948 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -0.019 9.456 -12.339 1.00 0.00 C ATOM 0 H ILE A 89 3.063 12.967 -12.324 1.00 0.00 H new ATOM 0 HA ILE A 89 2.620 11.641 -14.905 1.00 0.00 H new ATOM 0 HB ILE A 89 0.260 12.026 -13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.911 9.488 -13.303 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.799 10.532 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.719 10.375 -14.666 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.112 11.811 -15.523 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.821 10.296 -15.554 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.244 8.618 -11.694 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.662 10.147 -11.793 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.548 9.086 -13.217 1.00 0.00 H new ATOM 1132 N GLU A 90 1.203 13.726 -15.582 1.00 0.00 N ATOM 1133 CA GLU A 90 0.867 15.039 -16.106 1.00 0.00 C ATOM 1134 C GLU A 90 -0.652 15.219 -16.153 1.00 0.00 C ATOM 1135 O GLU A 90 -1.384 14.272 -16.436 1.00 0.00 O ATOM 1136 CB GLU A 90 1.488 15.253 -17.487 1.00 0.00 C ATOM 1137 CG GLU A 90 1.022 16.576 -18.099 1.00 0.00 C ATOM 1138 CD GLU A 90 -0.158 16.355 -19.048 1.00 0.00 C ATOM 1139 OE1 GLU A 90 -1.120 15.659 -18.689 1.00 0.00 O ATOM 1140 OE2 GLU A 90 -0.052 16.938 -20.194 1.00 0.00 O ATOM 0 H GLU A 90 0.850 12.944 -16.133 1.00 0.00 H new ATOM 0 HA GLU A 90 1.282 15.793 -15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.575 15.249 -17.405 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.215 14.428 -18.144 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.732 17.265 -17.306 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.846 17.041 -18.640 1.00 0.00 H new ATOM 1148 N ALA A 91 -1.080 16.442 -15.873 1.00 0.00 N ATOM 1149 CA ALA A 91 -2.498 16.758 -15.880 1.00 0.00 C ATOM 1150 C ALA A 91 -2.742 17.962 -16.792 1.00 0.00 C ATOM 1151 O ALA A 91 -2.553 19.105 -16.381 1.00 0.00 O ATOM 1152 CB ALA A 91 -2.973 17.006 -14.447 1.00 0.00 C ATOM 0 H ALA A 91 -0.469 17.225 -15.640 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.076 15.922 -16.275 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.037 17.243 -14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.804 16.112 -13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.417 17.840 -14.019 1.00 0.00 H new ATOM 1158 N HIS A 92 -3.160 17.663 -18.014 1.00 0.00 N ATOM 1159 CA HIS A 92 -3.433 18.707 -18.987 1.00 0.00 C ATOM 1160 C HIS A 92 -4.803 19.326 -18.706 1.00 0.00 C ATOM 1161 O HIS A 92 -5.485 18.931 -17.761 1.00 0.00 O ATOM 1162 CB HIS A 92 -3.308 18.166 -20.413 1.00 0.00 C ATOM 1163 CG HIS A 92 -2.199 18.801 -21.216 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -2.070 18.630 -22.583 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -1.169 19.609 -20.831 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -1.007 19.308 -22.992 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -0.450 19.913 -21.904 1.00 0.00 N ATOM 0 H HIS A 92 -3.316 16.713 -18.352 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.690 19.499 -18.894 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -3.140 17.090 -20.369 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.253 18.320 -20.933 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.972 19.944 -19.823 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.646 19.370 -24.008 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.382 20.502 -21.914 1.00 0.00 H new ATOM 1175 N ARG A 93 -5.167 20.286 -19.543 1.00 0.00 N ATOM 1176 CA ARG A 93 -6.443 20.964 -19.396 1.00 0.00 C ATOM 1177 C ARG A 93 -7.491 20.325 -20.310 1.00 0.00 C ATOM 1178 O ARG A 93 -7.165 19.847 -21.396 1.00 0.00 O ATOM 1179 CB ARG A 93 -6.320 22.451 -19.735 1.00 0.00 C ATOM 1180 CG ARG A 93 -5.544 23.198 -18.648 1.00 0.00 C ATOM 1181 CD ARG A 93 -4.124 22.644 -18.509 1.00 0.00 C ATOM 1182 NE ARG A 93 -3.183 23.739 -18.185 1.00 0.00 N ATOM 1183 CZ ARG A 93 -3.210 24.444 -17.034 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -4.133 24.174 -16.087 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -2.321 25.402 -16.849 1.00 0.00 N ATOM 0 H ARG A 93 -4.600 20.611 -20.326 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.753 20.865 -18.356 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.815 22.569 -20.694 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -7.313 22.887 -19.843 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.502 24.260 -18.891 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.068 23.109 -17.696 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.096 21.886 -17.727 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.823 22.157 -19.436 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.469 23.976 -18.874 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.817 23.433 -16.238 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.147 24.711 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.627 25.600 -17.570 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.328 25.944 -15.985 1.00 0.00 H new ATOM 1198 N GLU A 94 -8.729 20.338 -19.837 1.00 0.00 N ATOM 1199 CA GLU A 94 -9.827 19.766 -20.598 1.00 0.00 C ATOM 1200 C GLU A 94 -11.163 20.319 -20.100 1.00 0.00 C ATOM 1201 O GLU A 94 -11.877 19.650 -19.354 1.00 0.00 O ATOM 1202 CB GLU A 94 -9.805 18.238 -20.528 1.00 0.00 C ATOM 1203 CG GLU A 94 -9.595 17.628 -21.916 1.00 0.00 C ATOM 1204 CD GLU A 94 -10.915 17.547 -22.684 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -11.207 18.424 -23.511 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -11.651 16.526 -22.398 1.00 0.00 O ATOM 0 H GLU A 94 -8.996 20.736 -18.936 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.706 20.051 -21.643 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.008 17.913 -19.860 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.743 17.876 -20.106 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.880 18.230 -22.477 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.165 16.631 -21.818 1.00 0.00 H new